A0A087Y078_POEFO Loading...

DNA (cytosine-5-)-methyltransferase

AlphaFold DB , UniProt , Accession A0A087Y078, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 812 aa.

						>A0A087Y078_POEFO|A0A087Y078
MPSNNSGVILSESSNVTATAAVNGDTPLIAEGLSENDSGVELTNDNSPLTAAEPPSPFCPKQSGGATSPQDGNQRTRGSRKRSRKRPEEEEPDWDSYSHKPSGSSQLGLRQRPRPRTIYQAGLAANPQTKHRRQNRKQEQSTVMYATGPRRAAGVVARETPEEPCLELMEQDSKDSAQSSSTTSSSEVQPEYNDNKGFGVGELVWGKIKGFSWWPGIVVTWRAMGKRQASHGMRWLQWFGDGKFSEVSADKLDSLMAFPKFFSQASYTKLASYRKAIFQAVEMASVRAEKTFPPCETDNPEDQIKPMLDWANGGFQPKGEEGLKPTRSASSNPLDHQILNVSLPEYFPSAKRPKVSPCKAKAAPEEPCSREQMVNEVQKKNRSIEEFCLSCGKMRAATFHPLFEGGLCQTCKDVYLEISYMYDDDGYQSYCTVCCGGREVLLCGNANCCRCFCVDCLDILVDPGASNNARYQDPWRCYMCQPLLQYGVLKRRHDWSLKLQEFFANDKGQEFEKPKIYPAVPAEQRRPIRVLSLFDGIATGYLVLRDLGFKVDQYVASEVCEDSISVGVVRHEGKIQYVHDVRNISRKNIQEWGPFDLVIGGSPCNDLSIVNPARKGLFGGTGRLFFEFYRLLSEAKPKEGEDRPFFWMFENVVAMGVNDKRDISRFLECNPVMIDAIEVSAAHRARYFWGNLPGMNSETACFRPRCASGMDKLELQECLDHGRVAKFGKVRTITTRSNSIKQGKDQHFPVLMNGKEDVLWCTELERIFGFPVHYTDVSNMGRGARQRLLGRSWSVPVIRHLFAPLKDYFACE
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.1	Very low	33.5	Very low	235 Å²	235	133.5 Å²	133.5	100%	1.158	80%	0.804	S	S	*	*				0	125.4	0	-88.9	-64.3	-166.2	0	0	108.2
2	P	56.9	Low	33	Very low	117 Å²	117	136.5 Å²	136.5	76%	0.76	80%	0.803	S	S	*	*			cis	-107	-172.5	-22.1	43.9	-32.2	0	0	0	109.1
3	S	35	Very low	32.7	Very low	111 Å²	111	133.5 Å²	133.5	78%	0.776	79%	0.794	S	S	*	*			cis	-134.4	159.8	1.7	-61.6	0	0	0	0	110.2
4	N	35.2	Very low	32.5	Very low	149 Å²	149	131.1 Å²	131.1	80%	0.797	79%	0.787	S	S	*	*			trans	-81.2	177.5	-178.8	-73.4	-6.1	0	0	0	114.4
5	N	30.4	Very low	32.2	Very low	144 Å²	144	132.5 Å²	132.5	77%	0.77	79%	0.789	S	S	*	*			trans	88.1	145.2	146.5	-74.7	-0.5	0	0	0	118.9
6	S	30.5	Very low	32	Very low	106 Å²	106	131.8 Å²	131.8	74%	0.741	79%	0.786	S	S	*	*			cis	173.9	137.8	-30.5	46.2	0	0	0	0	107
7	G	28	Very low	31.7	Very low	82 Å²	82	131.1 Å²	131.1	85%	0.845	78%	0.782	S	S	*	*			trans	179.4	75	178.7	0	0	0	0	0	113.4
8	V	32.7	Very low	31.6	Very low	124 Å²	124	128 Å²	128	75%	0.752	77%	0.774	S	S	*	*			trans	-92.2	139.1	170.2	174.4	0	0	0	0	109	L10	V8-L10 HydrophobicContact CG1-CD1 4.49Å
9	I	28.5	Very low	31.4	Very low	159 Å²	159	128.6 Å²	128.6	82%	0.815	78%	0.778	S	S	*	*			trans	166.9	108.1	157.9	-93	155.3	0	0	0	103.8
10	L	28.2	Very low	31.3	Very low	145 Å²	145	126.4 Å²	126.4	76%	0.759	77%	0.774	S	S	*	*				52.1	139	65.5	-64.6	168.7	0	0	0	111.7	V8	V8-L10 HydrophobicContact CG1-CD1 4.49Å
11	S	28.7	Very low	31.1	Very low	96 Å²	96	124.8 Å²	124.8	67%	0.671	77%	0.774	S	S	*	*			cis	-156.2	161.9	-8.5	33.1	0	0	0	0	105.5
12	E	27.5	Very low	30.9	Very low	170 Å²	170	119 Å²	119	79%	0.794	75%	0.752	S	S	*	*				172.3	153.3	90.5	-84.2	-167.2	124.4	0	0	106.3
13	S	28.7	Very low	29.6	Very low	98 Å²	98	121.2 Å²	121.2	69%	0.685	76%	0.757	S	S	*	*				50.3	133.5	82.9	141.4	0	0	0	0	113.5
14	S	30	Very low	29.2	Very low	100 Å²	100	119 Å²	119	70%	0.699	75%	0.751	S	S	*	*			cis	-160.4	135.1	4.9	44.9	0	0	0	0	108.6
15	N	28.4	Very low	28.8	Very low	151 Å²	151	120 Å²	120	81%	0.807	76%	0.757	S	S	*	*				78.4	141.7	84.3	-152.7	16.8	0	0	0	114.6
16	V	29.3	Very low	29	Very low	122 Å²	122	118.9 Å²	118.9	74%	0.739	76%	0.755	S	S	*	*			trans	73	152.3	164.9	169.1	0	0	0	0	119.4
17	T	26.8	Very low	29.4	Very low	119 Å²	119	119.5 Å²	119.5	73%	0.73	76%	0.756	S	S	*	*			cis	-167	162.5	-48	-55.9	0	0	0	0	107.7
18	A	29.4	Very low	29.6	Very low	76 Å²	76	123.4 Å²	123.4	63%	0.628	76%	0.757	S	S	*	*			trans	102.3	144.3	136.3	0	0	0	0	0	122.3
19	T	28.5	Very low	29.4	Very low	139 Å²	139	125.4 Å²	125.4	85%	0.853	76%	0.762	S	S	*	*			trans	65.7	147.7	152.4	51	0	0	0	0	121
20	A	28.5	Very low	29.5	Very low	84 Å²	84	122.4 Å²	122.4	69%	0.694	76%	0.761	S	S	*	*			cis	-173.3	157.1	-23	0	0	0	0	0	111.9
21	A	27.7	Very low	29.6	Very low	94 Å²	94	125 Å²	125	78%	0.777	77%	0.769	S	S	*	*			trans	66	166.4	146.7	0	0	0	0	0	119.2
22	V	29.6	Very low	29.6	Very low	114 Å²	114	123.4 Å²	123.4	69%	0.691	77%	0.768	S	S	*	*			cis	-164.8	149.8	-26.4	136.7	0	0	0	0	107.5
23	N	29.1	Very low	29.6	Very low	163 Å²	163	124 Å²	124	87%	0.872	78%	0.776	S	S	*	*			trans	64	158.7	173.5	-64.2	-12.3	0	0	0	116.8
24	G	27.1	Very low	29.6	Very low	63 Å²	63	124.9 Å²	124.9	65%	0.649	78%	0.782	S	S	*	*			cis	178.7	-179.4	-6	0	0	0	0	0	114.2
25	D	27.8	Very low	29.6	Very low	171 Å²	171	128.8 Å²	128.8	91%	0.914	79%	0.789	S	S	*	*			trans	72.4	141.8	162.7	-57.5	-26	0	0	0	123.1
26	T	34	Very low	29.6	Very low	120 Å²	120	130 Å²	130	74%	0.736	80%	0.796	S	S	*	*			trans	-104.4	175.4	176	-29.3	0	0	0	0	109.6
27	P	39.1	Very low	29.5	Very low	119 Å²	119	131.4 Å²	131.4	77%	0.773	80%	0.799	S	S	*	*				-144.7	154.7	100.4	36.6	-22	0	0	0	115.8
28	L	32.9	Very low	29.6	Very low	165 Å²	165	131.2 Å²	131.2	86%	0.864	80%	0.803	S	S	*	*			trans	-110	148.1	158.9	-73.5	167.3	0	0	0	108.1
29	I	28.2	Very low	29.5	Very low	165 Å²	165	130.8 Å²	130.8	85%	0.846	81%	0.806	S	S	*	*			trans	-136	136.5	160.5	-64.8	-176	0	0	0	108.5
30	A	31.2	Very low	29.4	Very low	96 Å²	96	131.4 Å²	131.4	79%	0.793	81%	0.809	S	S	*	*			trans	-152.4	137.5	170.7	0	0	0	0	0	109.9
31	E	29.4	Very low	29.3	Very low	199 Å²	199	135.2 Å²	135.2	93%	0.93	81%	0.812	S	S	*	*			trans	-147.1	152.6	167.2	-65.3	-169.8	144	0	0	107.3
32	G	28.1	Very low	29.2	Very low	64 Å²	64	137.2 Å²	137.2	66%	0.66	81%	0.809	S	S	*	*			cis	156.1	153	-5.6	0	0	0	0	0	111.6
33	L	29	Very low	29.1	Very low	182 Å²	182	138.3 Å²	138.3	95%	0.953	82%	0.817	S	S	*	*			trans	70.8	151.1	169.7	-49.1	179.2	0	0	0	116.1
34	S	27	Very low	29	Very low	116 Å²	116	136.8 Å²	136.8	81%	0.811	81%	0.809	S	S	*	*			cis	-147.8	169.8	-6.3	56.5	0	0	0	0	111.8
35	E	31.2	Very low	28.9	Very low	182 Å²	182	140 Å²	140	85%	0.85	81%	0.811	S	S	*	*			trans	-76.3	159.2	175.2	-57.9	166	116.7	0	0	113.7
36	N	27.2	Very low	28.9	Very low	176 Å²	176	138.3 Å²	138.3	94%	0.941	80%	0.802	S	S	*	*			trans	-166.3	158.6	135.7	-111.9	-33.6	0	0	0	112.6
37	D	29	Very low	28.9	Very low	152 Å²	152	137.6 Å²	137.6	81%	0.813	80%	0.802	S	S	*	*			trans	-106.3	138	-175.6	176.4	32.8	0	0	0	112.6
38	S	28.9	Very low	28.8	Very low	115 Å²	115	137.7 Å²	137.7	80%	0.804	80%	0.802	S	S	*	*			trans	-171.3	120.6	158.8	62.4	0	0	0	0	110.8
39	G	25.5	Very low	28.6	Very low	68 Å²	68	137 Å²	137	70%	0.701	80%	0.799	S	S	*	*			trans	-96	155.9	168	0	0	0	0	0	113.2
40	V	26.5	Very low	28.7	Very low	152 Å²	152	135.5 Å²	135.5	92%	0.921	80%	0.798	S	S	*	*			trans	-167	166.3	150	140.7	0	0	0	0	108.4
41	E	26.2	Very low	28.6	Very low	163 Å²	163	135.8 Å²	135.8	76%	0.762	80%	0.8	S	S	*	*			trans	-81.7	160.5	-159.8	-60	176.6	97.5	0	0	118
42	L	27.3	Very low	28.5	Very low	136 Å²	136	131.3 Å²	131.3	71%	0.712	80%	0.797	S	S	*	*			trans	56.2	128.7	146	-68.7	162	0	0	0	118.9
43	T	26.4	Very low	28.4	Very low	137 Å²	137	137.3 Å²	137.3	84%	0.84	81%	0.808	S	S	*	*				-150.3	167	67.1	37.2	0	0	0	0	115.5
44	N	26.6	Very low	28.8	Very low	132 Å²	132	133.6 Å²	133.6	71%	0.706	80%	0.795	S	S	*	*			trans	-37.9	158.6	165.5	-74.2	9.4	0	0	0	114.7
45	D	26.4	Very low	29	Very low	129 Å²	129	134.1 Å²	134.1	69%	0.69	80%	0.795	S	S	*	*				-167.3	169.1	52.8	-144.2	-5.5	0	0	0	117.7
46	N	28.1	Very low	28.8	Very low	136 Å²	136	130.6 Å²	130.6	73%	0.727	79%	0.791	S	S	*	*			trans	68.5	77.8	159	-68.2	-62.2	0	0	0	120.7
47	S	31.9	Very low	29.1	Very low	106 Å²	106	128.1 Å²	128.1	74%	0.741	78%	0.784	S	S	*	*				-127.9	149.4	124.8	-169	0	0	0	0	108.3
48	P	37.5	Very low	28.9	Very low	121 Å²	121	130 Å²	130	79%	0.786	79%	0.786	S	S	*	*				-148.5	176.7	116.4	37.8	-21.6	0	0	0	116.1
49	L	29.9	Very low	28.8	Very low	151 Å²	151	129.9 Å²	129.9	79%	0.791	78%	0.783	S	S	*	*			trans	-103.7	-173.3	-178.5	-70.1	159.2	0	0	0	112.5
50	T	29	Very low	29.5	Very low	133 Å²	133	131.9 Å²	131.9	82%	0.816	78%	0.784	S	S	*	*			trans	80.9	111.1	146.7	30.6	0	0	0	0	121.8
51	A	30.3	Very low	29.6	Very low	102 Å²	102	133.8 Å²	133.8	84%	0.843	78%	0.78	S	S	*	*				43.3	121.7	126.1	0	0	0	0	0	122
52	A	26.5	Very low	29.6	Very low	105 Å²	105	134.6 Å²	134.6	87%	0.868	78%	0.783	S	S	*	*			trans	-148.3	154.5	151.2	0	0	0	0	0	110.8
53	E	25.6	Very low	29.6	Very low	189 Å²	189	134.4 Å²	134.4	88%	0.883	79%	0.793	S	S	*	*			trans	-114.5	177.4	172.4	-120.3	-162.3	-177	0	0	110.2
54	P	38.8	Very low	29.6	Very low	105 Å²	105	131.8 Å²	131.8	68%	0.682	79%	0.794	S	S	*	*				-109.5	163.1	-121.3	41	-34.3	0	0	0	115.9
55	P	30.1	Very low	29.5	Very low	126 Å²	126	129.4 Å²	129.4	82%	0.818	80%	0.8	S	S	*	*			trans	-91.9	152.6	165.2	36.1	-32.5	0	0	0	113.1
56	S	27.4	Very low	29.6	Very low	109 Å²	109	127.8 Å²	127.8	76%	0.762	81%	0.805	S	S	*	*			trans	-117.7	139.7	166.6	170	0	0	0	0	109.7
57	P	33.3	Very low	29.7	Very low	124 Å²	124	127.7 Å²	127.7	81%	0.805	81%	0.809	S	S	*	*			trans	-138.7	163.2	147.6	34.9	-19.6	0	0	0	114.8
58	F	25.3	Very low	29.4	Very low	192 Å²	192	128.1 Å²	128.1	84%	0.842	81%	0.812	S	S	*	*			trans	-103.2	131.5	-178.8	-111.6	-97	0	0	0	112.2
59	C	25.8	Very low	29.8	Very low	111 Å²	111	127.8 Å²	127.8	75%	0.75	81%	0.811	S	S	*	*			trans	60.4	173.2	147.5	-78.2	0	0	0	0	120.3
60	P	40.2	Very low	29.7	Very low	110 Å²	110	129.2 Å²	129.2	71%	0.714	81%	0.813	S	S	*	*			cis	-139	163.5	-48.6	39.1	-24.3	0	0	0	114.7
61	K	28.2	Very low	29.7	Very low	193 Å²	193	130.3 Å²	130.3	84%	0.839	81%	0.814	S	S	*	*			trans	-175	120.8	154.2	-100.9	153.2	-175.1	-178.6	0	107.4
62	Q	26.7	Very low	29.5	Very low	179 Å²	179	128.7 Å²	128.7	84%	0.836	81%	0.807	S	S	*	*				98.1	130.3	60.6	-90	-167.1	-10.6	0	0	113.3
63	S	27.9	Very low	29.6	Very low	132 Å²	132	130.5 Å²	130.5	92%	0.923	80%	0.802	S	S	*	*			trans	93.9	128	-175.8	76.7	0	0	0	0	115.8
64	G	26.5	Very low	29.8	Very low	83 Å²	83	128.7 Å²	128.7	86%	0.856	79%	0.793	S	S	*	*			cis	170.1	140.9	-14	0	0	0	0	0	112.2
65	G	25	Very low	29.2	Very low	81 Å²	81	134.7 Å²	134.7	84%	0.835	80%	0.803	S	S	*	*			trans	155.8	119.9	175	0	0	0	0	0	115.1
66	A	28	Very low	29.1	Very low	95 Å²	95	134.9 Å²	134.9	79%	0.785	80%	0.802	S	S	*	*			trans	-54.7	155.2	-179.9	0	0	0	0	0	114.2
67	T	29	Very low	29	Very low	134 Å²	134	141.7 Å²	141.7	82%	0.822	81%	0.81	S	S	*	*				-158.1	179.6	53.3	39.9	0	0	0	0	114.2
68	S	26.6	Very low	28.7	Very low	115 Å²	115	139.7 Å²	139.7	80%	0.804	81%	0.812	S	S	*	*			trans	-150.6	-179.9	178.6	-60.3	0	0	0	0	108.1
69	P	45	Very low	28.7	Very low	115 Å²	115	135.8 Å²	135.8	75%	0.747	81%	0.809	S	S	*	*			cis	-137.6	178.9	3.7	43.2	-26.3	0	0	0	115.9
70	Q	28.8	Very low	28.8	Very low	181 Å²	181	142.6 Å²	142.6	85%	0.846	82%	0.819	S	S	*	*				-170.8	165.9	118	-105.3	-179.9	-6.6	0	0	113.8
71	D	28.3	Very low	28.2	Very low	156 Å²	156	146.7 Å²	146.7	83%	0.834	83%	0.826	S	S	*	*			trans	-58.9	167.1	-166.3	-55.2	-77.5	0	0	0	118.2
72	G	26.6	Very low	28	Very low	67 Å²	67	148.7 Å²	148.7	69%	0.691	83%	0.828	S	S	*	*			cis	165.1	176.3	-7.2	0	0	0	0	0	115.6
73	N	29.1	Very low	27.9	Very low	143 Å²	143	144.8 Å²	144.8	77%	0.765	82%	0.821	S	S	*	*			trans	70.4	118.3	165.1	-86.8	-35.8	0	0	0	124.1
74	Q	29.4	Very low	27.8	Very low	151 Å²	151	150 Å²	150	71%	0.706	82%	0.82	S	S	*	*			trans	70.2	118.4	134	-63.7	177.7	53.8	0	0	120.2
75	R	26.6	Very low	27.7	Very low	232 Å²	232	155.4 Å²	155.4	88%	0.875	82%	0.82	S	S	*	*				64	129.4	76	-66.3	179.3	179.6	-173	1.2	112.1
76	T	27.4	Very low	27.8	Very low	130 Å²	130	161 Å²	161	80%	0.798	82%	0.816	S	S	*	*			cis	-143.2	148.1	31.8	45.1	0	0	0	0	111.6
77	R	26.5	Very low	28	Very low	251 Å²	251	161.9 Å²	161.9	95%	0.947	81%	0.813	S	S	*	*				64.4	97.4	72	-143.6	-172.3	-160.1	-161.4	6.9	115.5
78	G	25.3	Very low	27.8	Very low	82 Å²	82	161.5 Å²	161.5	85%	0.845	80%	0.802	S	S	*	*			trans	-164.9	131	167.5	0	0	0	0	0	112.4
79	S	26.1	Very low	27.8	Very low	111 Å²	111	164.4 Å²	164.4	78%	0.776	80%	0.803	S	S	*	*			trans	-153.3	142	-175.3	176.1	0	0	0	0	112.1
80	R	27.3	Very low	26.6	Very low	254 Å²	254	168.3 Å²	168.3	96%	0.958	81%	0.812	S	S	*	*			trans	-159.9	156.5	163.7	-105.3	156.5	-163.8	-159.8	2.5	111.2
81	K	27.4	Very low	26.4	Very low	196 Å²	196	168 Å²	168	85%	0.852	81%	0.81	S	S	*	*			trans	-125.9	156.5	-171.6	-59.8	173.2	175.8	177.4	0	111.7
82	R	24.6	Very low	26.5	Very low	235 Å²	235	165.5 Å²	165.5	89%	0.887	80%	0.802	S	S	*	*			trans	167.1	119	140.3	-95	175	169.8	175.2	-3.7	109.6
83	S	23.7	Very low	26.3	Very low	97 Å²	97	167.7 Å²	167.7	68%	0.678	80%	0.798	S	S	*	*				66.7	110.3	81.3	70.7	0	0	0	0	114.5
84	R	27.4	Very low	26	Very low	240 Å²	240	171 Å²	171	91%	0.906	80%	0.8	S	S	*	*				66.7	122.7	72.1	-145.7	-178.8	-172.5	178.2	1.7	111
85	K	24.4	Very low	25.6	Very low	198 Å²	198	169.6 Å²	169.6	86%	0.861	80%	0.797	S	S	*	*				-154.1	-177.6	52.8	-91.8	-173.6	170.4	-171.2	0	114.2
86	R	27.2	Very low	25.4	Very low	198 Å²	198	162.8 Å²	162.8	75%	0.747	79%	0.785	S	S	*	*			trans	-67.4	167.7	165.8	-74.4	-172.5	171.9	-178.1	-10.7	113.9	E88	R86-E88 WeakPolarHBondContact CB-OE2 3.46Å; R86-E88 WeakPolarHBondContact CD-OE1 3.4Å; R86-E88 IonicContact CZ-OE1 3.53Å; R86-E88 IonicContact NE-OE1 3.66Å; R86-E88 IonicContact NH1-OE1 2.68Å; R86-E88 PolarHBondContact NH1-OE1 3.18Å
87	P	31.4	Very low	25.1	Very low	113 Å²	113	166.1 Å²	166.1	73%	0.734	78%	0.784	S	S	*	*				-110.2	178	79.5	15.8	2.6	0	0	0	113.6
88	E	24.2	Very low	24.9	Very low	126 Å²	126	159 Å²	159	59%	0.589	77%	0.773	S	S	*	*			cis	78.3	144.9	21.2	-70.5	104.5	-159	0	0	115.9	R86	R86-E88 WeakPolarHBondContact CB-OE2 3.46Å; R86-E88 WeakPolarHBondContact CD-OE1 3.4Å; R86-E88 IonicContact CZ-OE1 3.53Å; R86-E88 IonicContact NE-OE1 3.66Å; R86-E88 IonicContact NH1-OE1 2.68Å; R86-E88 PolarHBondContact NH1-OE1 3.18Å
89	E	26.6	Very low	24.8	Very low	177 Å²	177	164.4 Å²	164.4	83%	0.827	78%	0.776	S	S	*	*			cis	-166	138.1	-34.8	-171.3	163.8	-91	0	0	110.3
90	E	21	Very low	24.5	Very low	197 Å²	197	168.1 Å²	168.1	92%	0.921	78%	0.778	S	S	*	*			trans	-179	160.6	158.4	-108.3	166.8	-159.2	0	0	113.8
91	E	24.2	Very low	25.1	Very low	174 Å²	174	161.8 Å²	161.8	81%	0.813	77%	0.77	S	S	*	*			trans	-123.6	-175.5	-170	-90.3	-91.5	150.3	0	0	110.4
92	P	31	Very low	24.7	Very low	103 Å²	103	158.4 Å²	158.4	67%	0.669	77%	0.771	S	S	*	*			cis	-151.1	-179.6	24.1	46.4	-25.1	0	0	0	120.7
93	D	21.9	Very low	24.6	Very low	113 Å²	113	150.6 Å²	150.6	60%	0.604	76%	0.764	S	S	*	*			trans	60	144.4	140.8	-102.2	-12	0	0	0	122.1
94	W	22.6	Very low	24.5	Very low	214 Å²	214	151.5 Å²	151.5	81%	0.811	77%	0.77	S	S	*	*			cis	-131.6	-160	-9.6	-61.3	69.8	0	0	0	107.4
95	D	21	Very low	24.3	Very low	120 Å²	120	145.8 Å²	145.8	64%	0.642	77%	0.767	S	S	*	*			cis	-155.2	133.8	-9.5	-161.9	53.7	0	0	0	105
96	S	21.6	Very low	24.6	Very low	89 Å²	89	144.3 Å²	144.3	62%	0.622	76%	0.763	S	S	*	*				86.7	154.5	66	-143.8	0	0	0	0	117.7
97	Y	20.7	Very low	24.6	Very low	200 Å²	200	143.1 Å²	143.1	78%	0.784	77%	0.771	S	S	*	*			trans	60.4	83.5	176.2	-73.3	-78.2	0	0	0	122.9
98	S	23.8	Very low	24.4	Very low	102 Å²	102	140.6 Å²	140.6	71%	0.713	77%	0.765	S	S	*	*				43.1	123.2	115.3	-54.5	0	0	0	0	122.5
99	H	22.5	Very low	24.8	Very low	195 Å²	195	140.9 Å²	140.9	90%	0.903	77%	0.77	S	S	*	*			trans	-146	146.8	142.4	-110.5	-85.7	0	0	0	113.5
100	K	20.6	Very low	25.4	Very low	190 Å²	190	142.5 Å²	142.5	83%	0.826	77%	0.768	S	S	*	*			trans	-116.1	-177.7	166.8	-62.6	-179.9	178.6	173.6	0	108.4
101	P	38.6	Very low	26	Very low	120 Å²	120	141.6 Å²	141.6	78%	0.779	76%	0.764	S	S	*	*				-129.3	167.4	-66.2	38.7	-24.5	0	0	0	111.9
102	S	20.7	Very low	26.7	Very low	125 Å²	125	142.3 Å²	142.3	87%	0.874	76%	0.759	S	S	*	*			trans	-155.5	141.5	168.1	55.3	0	0	0	0	116
103	G	21.3	Very low	27.1	Very low	72 Å²	72	140.7 Å²	140.7	74%	0.742	75%	0.749	S	S	*	*			trans	83.2	35.4	135.8	0	0	0	0	0	121.3	S105	G103-S105 PolarHBondContact O-N 3.47Å
104	S	22.8	Very low	28.1	Very low	115 Å²	115	144.7 Å²	144.7	80%	0.804	76%	0.756	S	S	*	*			trans	-74.4	91.1	170.8	62.5	0	0	0	0	112.7	Q106	S104-Q106 PolarHBondContact O-N 3.33Å
105	S	23.1	Very low	29.5	Very low	121 Å²	121	140.7 Å²	140.7	85%	0.846	76%	0.757	S	S	*	*			trans	-79	107	175.8	40.9	0	0	0	0	112.3	G103	G103-S105 PolarHBondContact O-N 3.47Å
106	Q	30.7	Very low	31.7	Very low	167 Å²	167	136.9 Å²	136.9	78%	0.78	73%	0.734	S	S	*	*			trans	-77.2	135.4	176.8	-63.1	174	-29.1	0	0	111.7	S104	S104-Q106 PolarHBondContact O-N 3.33Å
107	L	26.4	Very low	34.2	Very low	173 Å²	173	135.6 Å²	135.6	91%	0.906	72%	0.722	S	S	*	*			trans	-140.1	79.9	163.3	-76.2	179.8	0	0	0	111.3
108	G	27.8	Very low	36.9	Very low	59 Å²	59	129.6 Å²	129.6	61%	0.608	70%	0.703	S	S	*	*			trans	-73.2	133.3	168.5	0	0	0	0	0	111.6	R110	G108-R110 PolarHBondContact O-N 2.89Å
109	L	31.8	Very low	39.3	Very low	132 Å²	132	128.2 Å²	128.2	69%	0.691	68%	0.683	S	S	*	*	S	Bend	trans	-94.8	90.4	-174.5	-84.4	169.2	0	0	0	113.3
110	R	38.8	Very low	41.7	Very low	211 Å²	211	124.1 Å²	124.1	80%	0.796	66%	0.664	S	S	*	*			trans	-168.9	124.1	144	-102.9	164	-169.6	-144	-1.1	107.4	G108 R112	G108-R110 PolarHBondContact O-N 2.89Å; R110-R112 PolarHBondContact O-N 3.44Å
111	Q	33.4	Very low	44	Very low	179 Å²	179	115.5 Å²	115.5	84%	0.836	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-68.7	127.4	177.5	-70.9	-167.5	12.7	0	0	109.4
112	R	38.8	Very low	44.6	Very low	188 Å²	188	111.6 Å²	111.6	71%	0.709	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-60	138.8	170.5	-68.3	179.9	175.1	164.8	-2.7	109.1	R110 R114 E717	R110-R112 PolarHBondContact O-N 3.44Å; R112-R114 PolarHBondContact O-N 2.93Å; R112-E717 IonicContact CZ-OE1 2.73Å; R112-E717 IonicContact NH2-OE1 3.7Å; R112-E717 PolarHBondContact NH2-OE1 3.11Å
113	P	39.4	Very low	46	Very low	69 Å²	69	112 Å²	112	45%	0.448	60%	0.602	S	S	.	*	P	Polyproline II helix	trans	-51.9	138.9	169.2	-25.4	34.7	0	0	0	110.4
114	R	43.3	Very low	46.8	Very low	197 Å²	197	113 Å²	113	74%	0.743	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-76.2	140.9	177.9	-64.4	-171	-177.3	-153.9	0.8	109.3	R112	R112-R114 PolarHBondContact O-N 2.93Å
115	P	51.4	Low	47.3	Very low	130 Å²	130	112.1 Å²	112.1	84%	0.844	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-54	142.8	175.2	-26.4	34.8	0	0	0	112.3
116	R	67.5	Low	47.5	Very low	40 Å²	40	112.1 Å²	112.1	15%	0.151	59%	0.593	C	S	.	*	P	Polyproline II helix	trans	-92.8	147.2	175.1	67	-173	-172	152.4	1.8	111	I118 D423 D425 Q428 S429 R438	R116-I118 HydrophobicContact CG-CD1 4.47Å; R116-I118 HydrophobicContact CG-CG1 4Å; R116-D423 IonicContact CZ-OD2 2.74Å; R116-D423 IonicContact NE-OD2 3.78Å; R116-D423 PolarHBondContact NE-OD2 3Å; R116-D423 IonicContact NH2-OD2 3.73Å; R116-D423 PolarHBondContact NH2-OD2 3.4Å; R116-D425 IonicContact CZ-OD2 2.63Å; R116-D425 IonicContact NH2-OD1 2.83Å; R116-D425 PolarHBondContact NH2-OD1 2.89Å; R116-D425 IonicContact NH2-OD2 3.87Å; R116-D425 PolarHBondContact NH2-OD2 2.86Å; R116-Q428 PolarHBondContact NH1-O 3.25Å; R116-S429 WeakPolarHBondContact CD-O 3.34Å; R116-S429 PolarHBondContact NH1-O 3.23Å; R116-R438 CarbonylContact C-O 3.59Å; R116-R438 WeakPolarHBondContact CA-O 3.5Å
117	T	73.9	Confident	47.7	Very low	62 Å²	62	110 Å²	110	38%	0.38	59%	0.593	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-86.4	121.6	167.3	-43	0	0	0	0	108.6	Y119 R438 E439 V440	T117-Y119 HydrophobicContact CG2-CD2 4.29Å; T117-Y119 HydrophobicContact CG2-CE2 3.45Å; T117-Y119 VanDerWaalsContact CG2-CE2 3.45Å; T117-R438 PolarHBondContact N-O 2.84Å; T117-E439 WeakPolarHBondContact O-CA 3.5Å; T117-V440 PolarHBondContact O-N 2.87Å
118	I	77.3	Confident	47.9	Very low	75 Å²	75	107.3 Å²	107.3	39%	0.385	58%	0.576	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.4	132.4	179.8	-60.7	175.3	0	0	0	109.1	R116 D425 V440 L442	R116-I118 HydrophobicContact CG-CD1 4.47Å; R116-I118 HydrophobicContact CG-CG1 4Å; I118-D425 WeakPolarHBondContact CD1-OD2 3.19Å; I118-V440 HydrophobicContact CG1-CG2 4.46Å; I118-L442 HydrophobicContact CG2-CD1 3.61Å; I118-L442 HydrophobicContact CG2-CD2 4.11Å; I118-L442 HydrophobicContact CG2-CG 3.7Å
119	Y	75	Confident	48.2	Very low	72 Å²	72	111 Å²	111	28%	0.282	59%	0.587	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-118.1	127.2	170	-67.7	-88.9	0	0	0	109.5	T117 E439 V440 L441 L442	T117-Y119 HydrophobicContact CG2-CD2 4.29Å; T117-Y119 HydrophobicContact CG2-CE2 3.45Å; T117-Y119 VanDerWaalsContact CG2-CE2 3.45Å; Y119-E439 HydrophobicContact CD2-CB 4.33Å; Y119-E439 HydrophobicContact CE2-CB 3.96Å; Y119-E439 HydrophobicContact CE2-CG 4.16Å; Y119-E439 WeakPolarHBondContact CE2-OE2 3.43Å; Y119-E439 PolarHBondContact OH-OE1 2.67Å; Y119-V440 PolarHBondContact N-O 2.89Å; Y119-L441 VanDerWaalsContact O-CA 3.32Å; Y119-L441 WeakPolarHBondContact O-CA 3.44Å; Y119-L442 PolarHBondContact O-N 3.47Å; Y119-L442 VanDerWaalsContact O-N 3.07Å
120	Q	73.1	Confident	48	Very low	110 Å²	110	112.6 Å²	112.6	51%	0.514	59%	0.589	S	S	.	*			trans	-110.3	135.3	165.4	-175.1	171.7	-2.5	0	0	107.3	L123	Q120-L123 HydrophobicContact CB-CD1 4.24Å
121	A	69.1	Low	47.5	Very low	8 Å²	8	111 Å²	111	7%	0.066	59%	0.59	C	S	.	*	T	Hydrogen-bonded Turn	trans	-67.4	159.8	-178.5	0	0	0	0	0	111.7	L123 A469 R470 Q472 W475	A121-L123 PolarHBondContact O-N 2.96Å; A121-A469 VanDerWaalsContact CB-O 3.29Å; A121-A469 WeakPolarHBondContact CB-O 3.32Å; A121-R470 VanDerWaalsContact CA-O 3.31Å; A121-R470 WeakPolarHBondContact CA-O 3.39Å; A121-Q472 WeakPolarHBondContact CB-O 3.32Å; A121-W475 HydrophobicContact CB-CB 3.91Å
122	G	51.1	Low	47.2	Very low	39 Å²	39	113.2 Å²	113.2	40%	0.402	59%	0.591	S	S	.	*	T	Hydrogen-bonded Turn	trans	78.7	-30.5	-178.1	0	0	0	0	0	115.1	A124 R470	G122-A124 PolarHBondContact O-N 3.39Å; G122-R470 PolarHBondContact N-O 2.66Å
123	L	49.6	Very low	46.7	Very low	133 Å²	133	115.7 Å²	115.7	70%	0.696	60%	0.6	S	S	*	*			trans	-75.1	88.9	175.9	-67.7	178.1	0	0	0	111.8	Q120 A121 A125	Q120-L123 HydrophobicContact CB-CD1 4.24Å; A121-L123 PolarHBondContact O-N 2.96Å; L123-A125 PolarHBondContact O-N 3Å
124	A	38.3	Very low	46.2	Very low	92 Å²	92	119.8 Å²	119.8	76%	0.76	61%	0.613	S	S	*	*			trans	-59.1	116.8	174	0	0	0	0	0	111.5	G122 N126	G122-A124 PolarHBondContact O-N 3.39Å; A124-N126 PolarHBondContact O-N 2.69Å
125	A	33.7	Very low	45.5	Very low	98 Å²	98	117.7 Å²	117.7	81%	0.81	62%	0.617	S	S	*	*			trans	-67.5	96.2	177.8	0	0	0	0	0	110.8	L123 P127	L123-A125 PolarHBondContact O-N 3Å; A125-P127 WeakPolarHBondContact O-CD 3.47Å
126	N	27.4	Very low	44.3	Very low	121 Å²	121	122.9 Å²	122.9	65%	0.647	62%	0.619	S	S	*	*			trans	-80.5	112.1	-179.1	-169.8	-10.1	0	0	0	110.4	A124 Q128	A124-N126 PolarHBondContact O-N 2.69Å; N126-Q128 PolarHBondContact O-N 3.18Å
127	P	35	Very low	42.4	Very low	121 Å²	121	129 Å²	129	79%	0.786	65%	0.648	S	S	*	*			trans	-80.5	62.7	-171.1	34.8	-36.7	0	0	0	112.1	A125 T129	A125-P127 WeakPolarHBondContact O-CD 3.47Å; P127-T129 PolarHBondContact O-N 2.84Å
128	Q	29.4	Very low	40.1	Very low	117 Å²	117	134.2 Å²	134.2	55%	0.547	67%	0.667	S	S	.	*			trans	-83.4	95.4	176.2	-68.8	-152.3	-18.4	0	0	112.2	N126 K130	N126-Q128 PolarHBondContact O-N 3.18Å; Q128-K130 PolarHBondContact O-N 3.47Å
129	T	35	Very low	37.7	Very low	137 Å²	137	137.5 Å²	137.5	84%	0.84	68%	0.681	S	S	*	*			trans	-49.8	117.1	152.7	39	0	0	0	0	110	P127	P127-T129 PolarHBondContact O-N 2.84Å
130	K	27.9	Very low	35.3	Very low	165 Å²	165	142.9 Å²	142.9	72%	0.717	71%	0.709	S	S	*	*			trans	-122.9	106.2	171.2	-82.1	-179.2	178.9	158.3	0	111.4	Q128	Q128-K130 PolarHBondContact O-N 3.47Å
131	H	27.6	Very low	33	Very low	179 Å²	179	143.4 Å²	143.4	83%	0.829	73%	0.725	S	S	*	*			trans	-53.6	138.3	164.7	-85.6	-99.6	0	0	0	110.8	R133	H131-R133 PolarHBondContact O-N 3.1Å
132	R	27.9	Very low	30.8	Very low	224 Å²	224	149.2 Å²	149.2	85%	0.845	76%	0.76	S	S	*	*			trans	-53.3	104	162.7	177.8	-177.5	179.3	179.7	-0.1	110
133	R	27.6	Very low	29.6	Very low	240 Å²	240	153.2 Å²	153.2	91%	0.906	78%	0.776	S	S	*	*			trans	-115.4	125.8	163.7	-87	-170.5	168.8	-173.2	-2.5	109.5	H131	H131-R133 PolarHBondContact O-N 3.1Å
134	Q	28.9	Very low	28.4	Very low	156 Å²	156	153.2 Å²	153.2	73%	0.729	77%	0.774	S	S	*	*			trans	-84.4	150.7	176.3	-69.5	167.8	-75.4	0	0	110.9
135	N	28.8	Very low	27.8	Very low	153 Å²	153	158.6 Å²	158.6	82%	0.818	78%	0.776	S	S	*	*			trans	32.6	118.3	154.9	-65.6	-0.5	0	0	0	119.6
136	R	25.7	Very low	27.4	Very low	238 Å²	238	157.4 Å²	157.4	90%	0.898	77%	0.766	S	S	*	*				-148.7	116.2	114.7	-119.4	174.7	179.5	173.8	-0.9	111.5
137	K	28.3	Very low	27.4	Very low	170 Å²	170	158.6 Å²	158.6	74%	0.739	78%	0.778	S	S	*	*			trans	-67.7	146	148.1	-91.9	-167.4	167	-159.9	0	107.4	E139	K137-E139 WeakPolarHBondContact CE-OE1 3.45Å; K137-E139 IonicContact NZ-OE1 3.78Å; K137-E139 PolarHBondContact NZ-OE1 3.27Å
138	Q	25.2	Very low	27	Very low	170 Å²	170	156.5 Å²	156.5	79%	0.794	78%	0.778	S	S	*	*			trans	-140.9	94.8	161.7	-171	168.5	7.2	0	0	108.1
139	E	27.3	Very low	27.7	Very low	144 Å²	144	156.5 Å²	156.5	67%	0.673	79%	0.788	S	S	*	*			trans	-80.8	141.7	168.8	-76.2	153.4	-172.6	0	0	108.5	K137	K137-E139 WeakPolarHBondContact CE-OE1 3.45Å; K137-E139 IonicContact NZ-OE1 3.78Å; K137-E139 PolarHBondContact NZ-OE1 3.27Å
140	Q	25	Very low	27.3	Very low	186 Å²	186	161.2 Å²	161.2	87%	0.869	79%	0.791	S	S	*	*			trans	-107.4	116.1	172.8	-77	-174.3	-16.6	0	0	109.8
141	S	24.2	Very low	27.3	Very low	121 Å²	121	164.3 Å²	164.3	85%	0.846	80%	0.798	S	S	*	*			trans	-147.8	154.7	154.3	53.7	0	0	0	0	108.4
142	T	23.3	Very low	27.2	Very low	130 Å²	130	160.7 Å²	160.7	80%	0.798	80%	0.799	S	S	*	*			trans	-119.2	168.9	-152.2	-37.7	0	0	0	0	111.2
143	V	25.9	Very low	27.2	Very low	122 Å²	122	154.7 Å²	154.7	74%	0.739	80%	0.797	S	S	*	*			trans	76.3	132	164.6	176.1	0	0	0	0	113.8
144	M	24.6	Very low	27	Very low	134 Å²	134	146.7 Å²	146.7	66%	0.66	79%	0.789	S	S	*	*			cis	-162.5	162.4	-2.7	-123.8	170.5	-177	0	0	111.3
145	Y	24.8	Very low	26.9	Very low	205 Å²	205	146.4 Å²	146.4	80%	0.804	80%	0.798	S	S	*	*			trans	58.5	150.8	153.5	-70.9	-52.4	0	0	0	120.4
146	A	25.5	Very low	26.8	Very low	73 Å²	73	145.5 Å²	145.5	60%	0.603	80%	0.798	S	S	*	*			cis	-155.5	158.7	-8.9	0	0	0	0	0	112.9
147	T	26.5	Very low	26.8	Very low	145 Å²	145	138.6 Å²	138.6	89%	0.89	79%	0.791	S	S	*	*			trans	28.9	132.9	148.6	58.4	0	0	0	0	123
148	G	26.7	Very low	26.7	Very low	77 Å²	77	140.2 Å²	140.2	79%	0.794	79%	0.793	S	S	*	*			trans	154.1	117.8	146.9	0	0	0	0	0	116
149	P	44.7	Very low	26.6	Very low	117 Å²	117	139.2 Å²	139.2	76%	0.76	79%	0.788	S	S	*	*			trans	-123.2	163.2	-173.5	41.2	-30.7	0	0	0	115.8
150	R	27.6	Very low	26.4	Very low	237 Å²	237	138.3 Å²	138.3	89%	0.894	79%	0.793	S	S	*	*			trans	146.5	160.4	147.7	-82.9	161.6	-175.2	-144	2.7	111.6
151	R	26.4	Very low	26.8	Very low	229 Å²	229	134.7 Å²	134.7	86%	0.864	79%	0.785	S	S	*	*			cis	-176.5	132.1	-35.3	-154.9	-174.3	-162	-168.9	5	108.8
152	A	25.4	Very low	26.8	Very low	103 Å²	103	137.9 Å²	137.9	85%	0.851	79%	0.787	S	S	*	*			trans	60.1	171.2	167.5	0	0	0	0	0	115.8
153	A	27.9	Very low	27.2	Very low	98 Å²	98	141 Å²	141	81%	0.81	79%	0.792	S	S	*	*			cis	-136.6	168.7	-2.8	0	0	0	0	0	110.5
154	G	24.1	Very low	27.2	Very low	72 Å²	72	141.2 Å²	141.2	74%	0.742	80%	0.797	S	S	*	*			trans	-123.3	156.8	173.1	0	0	0	0	0	112.4
155	V	27.5	Very low	27.1	Very low	151 Å²	151	140.1 Å²	140.1	92%	0.915	80%	0.801	S	S	*	*			trans	-137.5	150.4	169.7	-179.5	0	0	0	0	107.6
156	V	27	Very low	27	Very low	133 Å²	133	137.1 Å²	137.1	81%	0.806	80%	0.798	S	S	*	*			trans	-133.9	131.2	-162.9	176.8	0	0	0	0	113.1
157	A	24.7	Very low	26.8	Very low	93 Å²	93	140.7 Å²	140.7	77%	0.769	80%	0.802	S	S	*	*			trans	-162.4	129.5	153.8	0	0	0	0	0	105.8
158	R	26.1	Very low	26.6	Very low	205 Å²	205	140.3 Å²	140.3	77%	0.774	79%	0.794	S	S	*	*			cis	63	119.9	36.7	-83.6	-168.1	93.9	166.3	0.5	112.2
159	E	23.6	Very low	26.4	Very low	148 Å²	148	144.4 Å²	144.4	69%	0.692	79%	0.794	S	S	*	*			cis	-142.8	-178.1	12.5	-60.2	-157.2	100.8	0	0	115.5
160	T	23.8	Very low	25.5	Very low	126 Å²	126	147 Å²	147	77%	0.773	80%	0.796	S	S	*	*			trans	-67.2	-178.5	172.5	45.2	0	0	0	0	114.1
161	P	33.1	Very low	25.5	Very low	109 Å²	109	145.4 Å²	145.4	71%	0.708	80%	0.799	S	S	*	*			cis	-140.9	174.4	13	41.2	-20.8	0	0	0	119.2
162	E	23.5	Very low	25.3	Very low	189 Å²	189	141.3 Å²	141.3	88%	0.883	79%	0.794	S	S	*	*			trans	43.1	156.1	145.6	-66.5	-174.8	151.8	0	0	125
163	E	32.8	Very low	25.4	Very low	194 Å²	194	142.2 Å²	142.2	91%	0.907	79%	0.794	S	S	*	*			trans	-82	154	178.4	-58.8	179.4	126.2	0	0	113.6
164	P	25.6	Very low	25.5	Very low	128 Å²	128	145.9 Å²	145.9	83%	0.831	79%	0.792	S	S	*	*			trans	-119.7	168.4	152.1	37.3	-27.4	0	0	0	113.3
165	C	21.2	Very low	25.5	Very low	110 Å²	110	149 Å²	149	74%	0.743	79%	0.791	S	S	*	*			trans	-126.5	168.6	-177.1	-170.4	0	0	0	0	110.5
166	L	23.2	Very low	25.8	Very low	142 Å²	142	146.7 Å²	146.7	74%	0.743	78%	0.782	S	S	*	*			trans	70.8	160.4	172.9	-53.1	-175.2	0	0	0	114.3
167	E	21.7	Very low	25.8	Very low	149 Å²	149	144.7 Å²	144.7	70%	0.696	78%	0.78	S	S	*	*			cis	-161.3	173.9	1	-134.4	173.7	-166.6	0	0	113.3
168	L	22.1	Very low	26	Very low	137 Å²	137	149.7 Å²	149.7	72%	0.717	79%	0.787	S	S	*	*			trans	71.3	145.4	140.8	-80.7	174.1	0	0	0	126.1
169	M	22.8	Very low	26.2	Very low	162 Å²	162	145.7 Å²	145.7	80%	0.798	79%	0.791	S	S	*	*			trans	105.2	153.6	136	-88.4	174.6	99.9	0	0	122.9
170	E	25.9	Very low	26.4	Very low	173 Å²	173	144.2 Å²	144.2	81%	0.808	80%	0.797	S	S	*	*			trans	-115	171.2	-155.3	-56.2	159	113.7	0	0	112.1
171	Q	26.5	Very low	26.9	Very low	203 Å²	203	143.9 Å²	143.9	95%	0.949	80%	0.799	S	S	*	*			trans	-151.8	138.4	155	-117.9	162.8	36.3	0	0	113.3
172	D	22.8	Very low	26.6	Very low	142 Å²	142	145.2 Å²	145.2	76%	0.759	81%	0.806	S	S	*	*			trans	-80.6	158	-170.4	-87.2	-49.7	0	0	0	115.4
173	S	27.7	Very low	27.2	Very low	123 Å²	123	143.1 Å²	143.1	86%	0.86	81%	0.806	S	S	*	*				-157.4	149.3	127.5	-84	0	0	0	0	112.7
174	K	29.5	Very low	27.1	Very low	174 Å²	174	139.5 Å²	139.5	76%	0.757	80%	0.802	S	S	*	*			trans	-88.5	162.7	-169.8	-69.7	172.6	-178.1	170	0	110.9
175	D	25.4	Very low	27.3	Very low	137 Å²	137	138.2 Å²	138.2	73%	0.733	80%	0.796	S	S	*	*				-161.9	153.8	54.9	-121.8	-45	0	0	0	117.3
176	S	32.2	Very low	28	Very low	103 Å²	103	139 Å²	139	72%	0.72	80%	0.803	S	S	*	*			trans	20.1	140.9	138.9	-59.7	0	0	0	0	121.6
177	A	28.3	Very low	28.5	Very low	91 Å²	91	139.6 Å²	139.6	75%	0.752	80%	0.802	S	S	*	*			cis	-171	-172.7	-1.6	0	0	0	0	0	111.9
178	Q	28.7	Very low	29.5	Very low	198 Å²	198	136.8 Å²	136.8	93%	0.925	80%	0.795	S	S	*	*			trans	87.3	106.8	170	-59.6	-163.5	-3.6	0	0	118.6
179	S	30.7	Very low	30.6	Very low	121 Å²	121	136.1 Å²	136.1	85%	0.846	79%	0.788	S	S	*	*			trans	-85.6	138.5	158.9	54.9	0	0	0	0	111.5
180	S	27.4	Very low	32.3	Very low	118 Å²	118	132 Å²	132	83%	0.825	77%	0.774	S	S	*	*			trans	-140.9	133.7	151.4	61.2	0	0	0	0	109.3
181	S	33.9	Very low	34.2	Very low	118 Å²	118	125.4 Å²	125.4	83%	0.825	74%	0.743	S	S	*	*			trans	-108.7	118.9	-172.2	57.8	0	0	0	0	110.9
182	T	26.3	Very low	36.7	Very low	137 Å²	137	117.1 Å²	117.1	84%	0.84	70%	0.703	S	S	*	*			trans	-140.5	128.8	164.5	16.3	0	0	0	0	110.4
183	T	36.2	Very low	38.8	Very low	146 Å²	146	115 Å²	115	90%	0.896	69%	0.692	S	S	*	*			trans	-68.9	135.2	176.2	45	0	0	0	0	111.9
184	S	30.1	Very low	41	Very low	118 Å²	118	110.5 Å²	110.5	83%	0.825	66%	0.658	S	S	*	*			trans	-137.3	148.8	153.9	61.9	0	0	0	0	110.1
185	S	31.3	Very low	43.1	Very low	100 Å²	100	109.7 Å²	109.7	70%	0.699	66%	0.662	S	S	*	*			trans	-81.1	134.6	-168.3	46.6	0	0	0	0	112.9	E187	S185-E187 VanDerWaalsContact C-N 3.35Å; S185-E187 PolarHBondContact O-N 2.81Å
186	S	34.5	Very low	45.5	Very low	126 Å²	126	107.2 Å²	107.2	88%	0.881	65%	0.645	S	S	*	*			trans	-72.3	86.8	167	-57.7	0	0	0	0	110.5
187	E	35.1	Very low	47.6	Very low	155 Å²	155	104.5 Å²	104.5	72%	0.724	63%	0.632	S	S	*	*			trans	-65.9	135	173.4	-66.9	-165.7	135.9	0	0	111.5	S185 Q189	S185-E187 VanDerWaalsContact C-N 3.35Å; S185-E187 PolarHBondContact O-N 2.81Å; E187-Q189 PolarHBondContact O-N 3.12Å; E187-Q189 VanDerWaalsContact O-N 3.15Å
188	V	41.3	Very low	50.3	Low	91 Å²	91	102.1 Å²	102.1	55%	0.552	61%	0.605	S	S	*	*			trans	-75.2	105	176	179.3	0	0	0	0	109.7	H336	V188-H336 WeakPolarHBondContact CG1-NE2 2.8Å
189	Q	46.3	Very low	53	Low	122 Å²	122	94 Å²	94	57%	0.57	58%	0.575	S	S	*	*			trans	-59.6	129.4	174.8	-77.3	-70	-29.8	0	0	111.7	E187 N193	E187-Q189 PolarHBondContact O-N 3.12Å; E187-Q189 VanDerWaalsContact O-N 3.15Å; Q189-N193 PolarHBondContact OE1-ND2 3.36Å
190	P	59.3	Low	55.7	Low	77 Å²	77	89.9 Å²	89.9	50%	0.5	54%	0.544	S	S	.	.			trans	-69.3	144.5	-179.5	24.9	-29.9	0	0	0	112.2	Y192 N193	P190-Y192 PolarHBondContact O-N 3.08Å; P190-N193 HydrophobicContact CG-CB 4.08Å; P190-N193 PolarHBondContact O-N 2.92Å
191	E	65.5	Low	58.5	Low	33 Å²	33	84.4 Å²	84.4	15%	0.154	51%	0.506	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-16.5	-162.4	-161.1	173.9	111.8	0	0	115.8	V200 T220 W221 R222	E191-V200 HydrophobicContact CB-CG2 4.3Å; E191-T220 WeakPolarHBondContact OE1-CA 3.33Å; E191-T220 WeakPolarHBondContact OE1-CB 3.38Å; E191-T220 PolarHBondContact OE1-OG1 2.91Å; E191-T220 WeakPolarHBondContact OE2-CB 3.49Å; E191-T220 PolarHBondContact OE2-OG1 3.09Å; E191-W221 PolarHBondContact OE1-N 3.13Å; E191-W221 PolarHBondContact OE1-NE1 2.74Å; E191-R222 WeakPolarHBondContact OE2-CD 3.26Å; E191-R222 IonicContact OE2-CZ 2.66Å; E191-R222 IonicContact OE2-NE 2.81Å; E191-R222 IonicContact OE2-NH1 3.15Å; E191-R222 PolarHBondContact OE2-NH1 3.48Å
192	Y	77.8	Confident	61.2	Low	30 Å²	30	82 Å²	82	12%	0.118	48%	0.482	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128.4	41.3	-177.6	-64.8	-46.1	0	0	0	112.4	P190 D194 V200 V218 V219 A229 W235	P190-Y192 PolarHBondContact O-N 3.08Å; Y192-D194 PolarHBondContact O-N 3.17Å; Y192-V200 HydrophobicContact CD2-CG2 3.68Å; Y192-V200 HydrophobicContact CE2-CG2 3.65Å; Y192-V218 HydrophobicContact CD2-CG1 4.01Å; Y192-V218 HydrophobicContact CE2-CG1 3.64Å; Y192-V219 WeakPolarHBondContact CE2-O 3.12Å; Y192-V219 PolarHBondContact OH-O 2.86Å; Y192-A229 HydrophobicContact CE1-CB 3.91Å; Y192-W235 PolarHBondContact OH-N 2.75Å
193	N	66.6	Low	64.4	Low	98 Å²	98	75.8 Å²	75.8	52%	0.524	44%	0.444	S	S	.	.			trans	-79.9	48.6	-177.6	-150.9	15.8	0	0	0	113.8	Q189 P190	Q189-N193 PolarHBondContact OE1-ND2 3.36Å; P190-N193 HydrophobicContact CG-CB 4.08Å; P190-N193 PolarHBondContact O-N 2.92Å
194	D	74.6	Confident	67.2	Low	28 Å²	28	68.9 Å²	68.9	15%	0.15	40%	0.401	C	S	.	.	S	Bend	trans	-106	13.5	-175.5	69.3	2.3	0	0	0	113.8	Y192 K196 G232 R234	Y192-D194 PolarHBondContact O-N 3.17Å; D194-K196 PolarHBondContact O-N 3.1Å; D194-K196 VanDerWaalsContact O-N 3.08Å; D194-K196 WeakPolarHBondContact OD1-CB 3.34Å; D194-K196 PolarHBondContact OD1-N 3.29Å; D194-G232 WeakPolarHBondContact OD2-CA 3.35Å; D194-G232 PolarHBondContact OD2-N 3.05Å; D194-R234 IonicContact OD1-CZ 3.15Å; D194-R234 IonicContact OD1-NH1 3.29Å; D194-R234 PolarHBondContact OD1-NH1 3.11Å; D194-R234 IonicContact OD1-NH2 2.82Å; D194-R234 PolarHBondContact OD1-NH2 3.02Å; D194-R234 IonicContact OD2-CZ 2.71Å; D194-R234 IonicContact OD2-NH1 3.75Å; D194-R234 PolarHBondContact OD2-NH1 3.38Å; D194-R234 IonicContact OD2-NH2 3.81Å
195	N	73.6	Confident	70.3	Confident	157 Å²	157	63.2 Å²	63.2	84%	0.84	36%	0.362	S	S	*	.	S	Bend	trans	56.5	15.3	-175.5	-63.8	-35.9	0	0	0	116
196	K	75.4	Confident	73.3	Confident	85 Å²	85	58.5 Å²	58.5	37%	0.37	33%	0.329	S	S	.	.	S	Bend	trans	-92.6	10.5	175.4	-74.8	-70	-154.8	160	0	115.1	D194 A249 D250	D194-K196 PolarHBondContact O-N 3.1Å; D194-K196 VanDerWaalsContact O-N 3.08Å; D194-K196 WeakPolarHBondContact OD1-CB 3.34Å; D194-K196 PolarHBondContact OD1-N 3.29Å; K196-A249 HydrophobicContact CB-CB 3.89Å; K196-A249 WeakPolarHBondContact O-CB 3.3Å; K196-D250 IonicContact NZ-OD1 2.69Å; K196-D250 PolarHBondContact NZ-OD1 2.9Å; K196-D250 IonicContact NZ-OD2 3.28Å; K196-D250 PolarHBondContact NZ-OD2 3.5Å
197	G	77.8	Confident	75.9	Confident	45 Å²	45	56 Å²	56	46%	0.464	30%	0.302	S	S	.	.	S	Bend	trans	74.4	-177.4	179.1	0	0	0	0	0	114.1	R234	G197-R234 PolarHBondContact O-NE 2.85Å; G197-R234 VanDerWaalsContact O-NE 3.12Å; G197-R234 PolarHBondContact O-NH2 2.7Å
198	F	84.3	Confident	78.1	Confident	42 Å²	42	51.7 Å²	51.7	18%	0.184	28%	0.283	C	S	.	.			trans	57.6	82.8	175.5	-51.9	-66.4	0	0	0	115.2	E202 V204 V218 R234 L252	F198-E202 WeakPolarHBondContact CA-OE2 3.03Å; F198-V204 HydrophobicContact CD1-CG1 3.43Å; F198-V204 VanDerWaalsContact CD1-CG1 3.43Å; F198-V204 HydrophobicContact CE1-CG1 3.77Å; F198-V204 HydrophobicContact CG-CG1 4.19Å; F198-V218 HydrophobicContact CB-CG2 4.12Å; F198-R234 HydrophobicContact CB-CG 4.41Å; F198-R234 VanDerWaalsContact O-CD 3.3Å; F198-R234 WeakPolarHBondContact O-CD 3.33Å; F198-R234 PolarHBondContact O-NE 2.77Å; F198-L252 HydrophobicContact CB-CD1 4.3Å; F198-L252 HydrophobicContact CD2-CB 3.82Å; F198-L252 HydrophobicContact CD2-CD1 4.01Å; F198-L252 HydrophobicContact CD2-CG 4.49Å; F198-L252 HydrophobicContact CE2-CB 3.61Å; F198-L252 HydrophobicContact CG-CB 4.39Å; F198-L252 HydrophobicContact CG-CD1 4.19Å; F198-L252 HydrophobicContact CZ-CB 4.02Å
199	G	86.2	Confident	79.6	Confident	27 Å²	27	57.1 Å²	57.1	28%	0.278	30%	0.3	S	S	.	.			trans	-78.9	171	173.7	0	0	0	0	0	114.4	G201 E202 V218	G199-G201 PolarHBondContact O-N 2.89Å; G199-E202 WeakPolarHBondContact CA-OE1 3.36Å; G199-E202 VanDerWaalsContact N-CD 3.32Å; G199-E202 PolarHBondContact N-OE1 2.9Å; G199-E202 PolarHBondContact O-N 3.3Å; G199-V218 VanDerWaalsContact O-CB 3.28Å; G199-V218 WeakPolarHBondContact O-CB 3.43Å; G199-V218 WeakPolarHBondContact O-CG1 3.22Å
200	V	86.8	Confident	80.9	Confident	34 Å²	34	55 Å²	55	21%	0.206	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	129.4	-179.3	-173.1	0	0	0	0	110.9	E191 Y192 T220 L339	E191-V200 HydrophobicContact CB-CG2 4.3Å; Y192-V200 HydrophobicContact CD2-CG2 3.68Å; Y192-V200 HydrophobicContact CE2-CG2 3.65Å; V200-T220 HydrophobicContact CG1-CG2 4.24Å; V200-L339 HydrophobicContact CB-CD1 4.05Å; V200-L339 HydrophobicContact CG1-CD1 3.58Å
201	G	85.8	Confident	81.8	Confident	3 Å²	3	57.6 Å²	57.6	3%	0.031	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	96.4	-9.8	179.5	0	0	0	0	0	114.8	G199 V218 R287	G199-G201 PolarHBondContact O-N 2.89Å; G201-V218 WeakPolarHBondContact CA-O 3.44Å; G201-V218 PolarHBondContact N-O 3.32Å; G201-R287 VanDerWaalsContact O-CZ 3.28Å; G201-R287 PolarHBondContact O-NH1 3.44Å; G201-R287 PolarHBondContact O-NH2 3.32Å
202	E	90.4	Very high	82.8	Confident	67 Å²	67	57.9 Å²	57.9	31%	0.313	32%	0.32	S	S	.	.			trans	-68.9	143.1	-179.3	-74.1	179.5	-137.5	0	0	112.9	F198 G199 I217 V218 P325	F198-E202 WeakPolarHBondContact CA-OE2 3.03Å; G199-E202 WeakPolarHBondContact CA-OE1 3.36Å; G199-E202 VanDerWaalsContact N-CD 3.32Å; G199-E202 PolarHBondContact N-OE1 2.9Å; G199-E202 PolarHBondContact O-N 3.3Å; E202-I217 WeakPolarHBondContact O-CA 3.49Å; E202-V218 HydrophobicContact CB-CG2 4.29Å; E202-V218 PolarHBondContact O-N 2.85Å; E202-P325 HydrophobicContact CG-CG 4.24Å
203	L	93.4	Very high	83.6	Confident	8 Å²	8	59.5 Å²	59.5	4%	0.042	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	126.3	177.6	-54	-178.7	0	0	0	109.7	I217 F239 L255 M283 A284	L203-I217 HydrophobicContact CD2-CB 4.09Å; L203-I217 HydrophobicContact CD2-CD1 3.98Å; L203-I217 HydrophobicContact CD2-CG1 4.04Å; L203-F239 HydrophobicContact CD2-CE2 4.23Å; L203-F239 HydrophobicContact CD2-CZ 3.98Å; L203-L255 HydrophobicContact CB-CB 3.78Å; L203-L255 HydrophobicContact CB-CD2 3.8Å; L203-L255 HydrophobicContact CB-CG 4.37Å; L203-L255 HydrophobicContact CD1-CD2 3.82Å; L203-L255 HydrophobicContact CG-CD2 4.44Å; L203-L255 WeakPolarHBondContact O-CB 3.46Å; L203-L255 PolarHBondContact O-N 3.23Å; L203-M283 HydrophobicContact CD1-CG 3.94Å; L203-M283 HydrophobicContact CD2-CG 3.64Å; L203-M283 HydrophobicContact CG-CG 4.44Å; L203-A284 HydrophobicContact CD1-CB 4.27Å
204	V	95.4	Very high	84.9	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	154.2	-170.3	-62.6	0	0	0	0	112.8	F198 P215 G216 V218 L236 D253	F198-V204 HydrophobicContact CD1-CG1 3.43Å; F198-V204 VanDerWaalsContact CD1-CG1 3.43Å; F198-V204 HydrophobicContact CE1-CG1 3.77Å; F198-V204 HydrophobicContact CG-CG1 4.19Å; V204-P215 CarbonylContact O-C 3.58Å; V204-P215 WeakPolarHBondContact O-CA 3.34Å; V204-G216 PolarHBondContact N-O 3.38Å; V204-G216 PolarHBondContact O-N 3.26Å; V204-V218 HydrophobicContact CG1-CG2 4.11Å; V204-V218 HydrophobicContact CG2-CG2 4.3Å; V204-L236 HydrophobicContact CG2-CD1 3.89Å; V204-L236 HydrophobicContact CG2-CD2 3.6Å; V204-L236 HydrophobicContact CG2-CG 4.42Å; V204-D253 CarbonylContact C-O 3.53Å; V204-D253 VanDerWaalsContact CA-O 3.28Å; V204-D253 WeakPolarHBondContact CA-O 3.29Å; V204-D253 WeakPolarHBondContact CB-O 3.33Å
205	W	95.2	Very high	85.9	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	136.2	156.2	-69	99.5	0	0	0	109.3	W213 P215 L252 D253 L255 F258 F261 F262 I277	W205-W213 HydrophobicContact CB-CE3 3.91Å; W205-W213 HydrophobicContact CB-CZ3 4.38Å; W205-W213 HydrophobicContact CE3-CB 4.11Å; W205-P215 HydrophobicContact CE3-CB 4.41Å; W205-P215 HydrophobicContact CZ3-CB 4.43Å; W205-L252 CarbonylContact O-C 3.57Å; W205-L252 VanDerWaalsContact O-CA 3.29Å; W205-L252 WeakPolarHBondContact O-CA 3.32Å; W205-D253 PolarHBondContact N-O 2.81Å; W205-D253 PolarHBondContact O-N 3.45Å; W205-L255 PolarHBondContact NE1-O 2.9Å; W205-F258 HydrophobicContact CH2-CE2 4.5Å; W205-F258 HydrophobicContact CZ2-CB 4.46Å; W205-F258 AromaticContact CZ2-CD2 3.59Å; W205-F258 HydrophobicContact CZ2-CD2 3.59Å; W205-F258 AromaticContact CZ2-CE2 3.99Å; W205-F258 HydrophobicContact CZ2-CE2 3.99Å; W205-F258 HydrophobicContact CZ2-CG 4.05Å; W205-F261 HydrophobicContact CB-CB 4.35Å; W205-F261 HydrophobicContact CB-CD2 3.93Å; W205-F261 HydrophobicContact CB-CG 4.25Å; W205-F261 AromaticContact CD1-CD2 3.65Å; W205-F261 HydrophobicContact CD2-CB 3.51Å; W205-F261 HydrophobicContact CD2-CD2 4.36Å; W205-F261 HydrophobicContact CD2-CG 4.31Å; W205-F261 HydrophobicContact CE3-CB 3.79Å; W205-F261 HydrophobicContact CG-CB 3.78Å; W205-F261 AromaticContact CG-CD2 3.72Å; W205-F261 HydrophobicContact CG-CD2 3.72Å; W205-F261 HydrophobicContact CG-CG 4.05Å; W205-F261 HydrophobicContact CH2-CB 4.41Å; W205-F261 HydrophobicContact CZ2-CB 4.2Å; W205-F261 HydrophobicContact CZ3-CB 4.23Å; W205-F262 HydrophobicContact CH2-CB 4.21Å; W205-F262 HydrophobicContact CZ2-CB 4.35Å; W205-I277 HydrophobicContact CH2-CD1 3.5Å; W205-I277 VanDerWaalsContact CH2-CD1 3.5Å; W205-I277 HydrophobicContact CZ2-CD1 4.42Å; W205-I277 HydrophobicContact CZ3-CD1 4.07Å
206	G	93.5	Very high	87	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.01	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	147.1	176.2	0	0	0	0	0	113.2	W214	G206-W214 PolarHBondContact N-O 2.93Å; G206-W214 PolarHBondContact O-N 2.99Å; G206-W214 VanDerWaalsContact O-N 3.11Å
207	K	90.3	Very high	87.8	Confident	72 Å²	72	44.1 Å²	44.1	31%	0.313	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	103	-177	-169.4	55	163.5	-176.8	0	114.4	F211 W213 K251	K207-F211 PolarHBondContact NZ-O 3.39Å; K207-W213 HydrophobicContact CB-CD2 3.86Å; K207-W213 HydrophobicContact CB-CE3 3.75Å; K207-W213 HydrophobicContact CB-CH2 3.8Å; K207-W213 HydrophobicContact CB-CZ2 3.86Å; K207-W213 HydrophobicContact CB-CZ3 3.74Å; K207-W213 HydrophobicContact CD-CD2 3.93Å; K207-W213 HydrophobicContact CD-CG 3.98Å; K207-W213 HydrophobicContact CG-CD2 4.25Å; K207-W213 HydrophobicContact CG-CZ2 4.14Å; K207-K251 HydrophobicContact CB-CB 4.34Å; K207-K251 PolarHBondContact N-O 3.25Å
208	I	81.8	Confident	88.5	Confident	65 Å²	65	42 Å²	42	33%	0.333	22%	0.223	S	C	.	.			trans	-87.2	143.3	167.1	-57.2	178.7	0	0	0	110.2	G210 F211 W238	I208-G210 PolarHBondContact O-N 2.83Å; I208-F211 HydrophobicContact CB-CB 4.49Å; I208-F211 HydrophobicContact CB-CD2 4.15Å; I208-F211 HydrophobicContact CG2-CD2 3.76Å; I208-F211 HydrophobicContact CG2-CE2 4.28Å; I208-F211 PolarHBondContact O-N 3.1Å; I208-W238 HydrophobicContact CD1-CH2 4.28Å; I208-W238 HydrophobicContact CD1-CZ2 3.56Å; I208-W238 HydrophobicContact CG1-CH2 4.14Å; I208-W238 HydrophobicContact CG1-CZ2 3.78Å
209	K	72.9	Confident	88.7	Confident	205 Å²	205	40.9 Å²	40.9	89%	0.891	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	124.8	174.9	-176.2	176.3	-178.2	174.9	0	110.6
210	G	71.8	Confident	88.5	Confident	79 Å²	79	40.3 Å²	40.3	81%	0.814	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	93.9	-4.5	179.8	0	0	0	0	0	115.1	I208	I208-G210 PolarHBondContact O-N 2.83Å
211	F	79.4	Confident	87.8	Confident	131 Å²	131	41.8 Å²	41.8	58%	0.575	21%	0.213	S	C	*	.	S	Bend	trans	-119.2	164	179.9	-65.7	-91.3	0	0	0	111.7	K207 I208	K207-F211 PolarHBondContact NZ-O 3.39Å; I208-F211 HydrophobicContact CB-CB 4.49Å; I208-F211 HydrophobicContact CB-CD2 4.15Å; I208-F211 HydrophobicContact CG2-CD2 3.76Å; I208-F211 HydrophobicContact CG2-CE2 4.28Å; I208-F211 PolarHBondContact O-N 3.1Å
212	S	86.8	Confident	86.9	Confident	39 Å²	39	47.5 Å²	47.5	27%	0.273	23%	0.233	S	C	.	.			trans	-60.6	168.3	164.8	-62.9	0	0	0	0	111.2	S266	S212-S266 PolarHBondContact OG-OG 2.83Å
213	W	93.4	Very high	85.2	Confident	64 Å²	64	46.8 Å²	46.8	24%	0.242	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	134.7	164.1	-75.5	92.7	0	0	0	108.7	W205 K207 K251 D253 F261 Y273	W205-W213 HydrophobicContact CB-CE3 3.91Å; W205-W213 HydrophobicContact CB-CZ3 4.38Å; W205-W213 HydrophobicContact CE3-CB 4.11Å; K207-W213 HydrophobicContact CB-CD2 3.86Å; K207-W213 HydrophobicContact CB-CE3 3.75Å; K207-W213 HydrophobicContact CB-CH2 3.8Å; K207-W213 HydrophobicContact CB-CZ2 3.86Å; K207-W213 HydrophobicContact CB-CZ3 3.74Å; K207-W213 HydrophobicContact CD-CD2 3.93Å; K207-W213 HydrophobicContact CD-CG 3.98Å; K207-W213 HydrophobicContact CG-CD2 4.25Å; K207-W213 HydrophobicContact CG-CZ2 4.14Å; W213-K251 WeakPolarHBondContact CZ3-O 3.44Å; W213-D253 HydrophobicContact CZ3-CB 4.49Å; W213-F261 HydrophobicContact CB-CB 3.86Å; W213-F261 HydrophobicContact CB-CD1 4.07Å; W213-F261 HydrophobicContact CB-CG 4.24Å; W213-F261 AromaticContact CD1-CD1 3.47Å; W213-F261 VanDerWaalsContact CD1-CD1 3.47Å; W213-F261 AromaticContact CD2-CD1 3.45Å; W213-F261 HydrophobicContact CD2-CD1 3.45Å; W213-F261 VanDerWaalsContact CD2-CD1 3.45Å; W213-F261 AromaticContact CD2-CE1 3.63Å; W213-F261 HydrophobicContact CD2-CE1 3.63Å; W213-F261 HydrophobicContact CD2-CG 4.12Å; W213-F261 HydrophobicContact CD2-CZ 4.43Å; W213-F261 AromaticContact CE2-CD1 3.52Å; W213-F261 AromaticContact CE2-CE1 3.28Å; W213-F261 HydrophobicContact CE3-CD1 4.07Å; W213-F261 HydrophobicContact CE3-CE1 4.11Å; W213-F261 HydrophobicContact CE3-CG 4.4Å; W213-F261 HydrophobicContact CE3-CZ 4.48Å; W213-F261 HydrophobicContact CG-CB 4.2Å; W213-F261 AromaticContact CG-CD1 3.44Å; W213-F261 HydrophobicContact CG-CD1 3.44Å; W213-F261 VanDerWaalsContact CG-CD1 3.44Å; W213-F261 HydrophobicContact CG-CE1 4.09Å; W213-F261 HydrophobicContact CG-CG 4.06Å; W213-F261 AromaticContact CH2-CE1 3.95Å; W213-F261 HydrophobicContact CH2-CE1 3.95Å; W213-F261 HydrophobicContact CH2-CZ 4.06Å; W213-F261 HydrophobicContact CZ2-CD1 4.19Å; W213-F261 AromaticContact CZ2-CE1 3.47Å; W213-F261 HydrophobicContact CZ2-CE1 3.47Å; W213-F261 VanDerWaalsContact CZ2-CE1 3.47Å; W213-F261 HydrophobicContact CZ2-CZ 4.02Å; W213-F261 HydrophobicContact CZ3-CE1 4.24Å; W213-F261 HydrophobicContact CZ3-CZ 4.29Å; W213-F261 AromaticContact NE1-CD1 3.53Å; W213-F261 AromaticContact NE1-CE1 3.55Å; W213-Y273 WeakPolarHBondContact O-CE2 3.37Å; W213-Y273 PolarHBondContact O-OH 2.78Å
214	W	94.8	Very high	83.6	Confident	39 Å²	39	48.1 Å²	48.1	15%	0.148	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	140.3	-172.4	-155.3	-80.8	0	0	0	109.9	G206 W238 F239 Y273 A276	G206-W214 PolarHBondContact N-O 2.93Å; G206-W214 PolarHBondContact O-N 2.99Å; G206-W214 VanDerWaalsContact O-N 3.11Å; W214-W238 HydrophobicContact CB-CE3 4.05Å; W214-W238 HydrophobicContact CB-CZ3 4.09Å; W214-W238 AromaticContact CD1-CE3 3.95Å; W214-W238 HydrophobicContact CG-CE3 4.34Å; W214-W238 WeakPolarHBondContact O-CZ3 3.35Å; W214-F239 PolarHBondContact NE1-O 3.25Å; W214-Y273 HydrophobicContact CD2-CD2 4.03Å; W214-Y273 HydrophobicContact CD2-CE2 4.48Å; W214-Y273 AromaticContact CE3-CD2 3.63Å; W214-Y273 HydrophobicContact CE3-CD2 3.63Å; W214-Y273 HydrophobicContact CE3-CE2 4.17Å; W214-Y273 AromaticContact CH2-CD2 3.95Å; W214-Y273 HydrophobicContact CH2-CD2 3.95Å; W214-Y273 HydrophobicContact CH2-CG 4.42Å; W214-Y273 HydrophobicContact CZ2-CD2 4.33Å; W214-Y273 AromaticContact CZ3-CD2 3.6Å; W214-Y273 HydrophobicContact CZ3-CD2 3.6Å; W214-Y273 HydrophobicContact CZ3-CG 4.35Å; W214-A276 HydrophobicContact CZ2-CB 3.8Å
215	P	95.9	Very high	81.8	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	145.5	179	34.2	-38.1	0	0	0	111.6	V204 W205 F239 L255 A276 I277 A280	V204-P215 CarbonylContact O-C 3.58Å; V204-P215 WeakPolarHBondContact O-CA 3.34Å; W205-P215 HydrophobicContact CE3-CB 4.41Å; W205-P215 HydrophobicContact CZ3-CB 4.43Å; P215-F239 HydrophobicContact CB-CD2 4.1Å; P215-F239 HydrophobicContact CG-CB 4.34Å; P215-F239 HydrophobicContact CG-CD2 4.49Å; P215-F239 PolarHBondContact O-N 2.69Å; P215-F239 VanDerWaalsContact O-N 3.11Å; P215-L255 HydrophobicContact CB-CD1 4.24Å; P215-A276 HydrophobicContact CG-CB 4.05Å; P215-I277 HydrophobicContact CG-CD1 4.14Å; P215-A280 HydrophobicContact CB-CB 3.65Å; P215-A280 HydrophobicContact CG-CB 3.95Å
216	G	95	Very high	80.3	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	-177.5	176.1	0	0	0	0	0	112.6	V204 Q237	V204-G216 PolarHBondContact N-O 3.38Å; V204-G216 PolarHBondContact O-N 3.26Å; G216-Q237 CarbonylContact C-O 3.57Å; G216-Q237 WeakPolarHBondContact CA-O 3.5Å
217	I	93.8	Very high	79.4	Confident	6 Å²	6	62.9 Å²	62.9	3%	0.031	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	137.5	177.5	-177.7	172.4	0	0	0	110.2	E202 L203 V219 L236 Q237 F239 R287 V341	E202-I217 WeakPolarHBondContact O-CA 3.49Å; L203-I217 HydrophobicContact CD2-CB 4.09Å; L203-I217 HydrophobicContact CD2-CD1 3.98Å; L203-I217 HydrophobicContact CD2-CG1 4.04Å; I217-V219 HydrophobicContact CG2-CG1 4.32Å; I217-L236 CarbonylContact O-C 3.55Å; I217-L236 WeakPolarHBondContact O-CA 3.22Å; I217-Q237 HydrophobicContact CG2-CB 3.91Å; I217-Q237 PolarHBondContact N-O 2.94Å; I217-Q237 PolarHBondContact O-N 2.98Å; I217-F239 HydrophobicContact CB-CE2 4.31Å; I217-F239 HydrophobicContact CB-CZ 4.12Å; I217-F239 HydrophobicContact CG2-CZ 4.23Å; I217-R287 VanDerWaalsContact CD1-NH2 3.31Å; I217-V341 HydrophobicContact CD1-CB 4.14Å; I217-V341 HydrophobicContact CD1-CG1 3.62Å; I217-V341 HydrophobicContact CD1-CG2 3.93Å
218	V	91.5	Very high	78.9	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	129	175.2	-176.5	0	0	0	0	109.8	Y192 F198 G199 G201 E202 V204 R234 W235 L236	Y192-V218 HydrophobicContact CD2-CG1 4.01Å; Y192-V218 HydrophobicContact CE2-CG1 3.64Å; F198-V218 HydrophobicContact CB-CG2 4.12Å; G199-V218 VanDerWaalsContact O-CB 3.28Å; G199-V218 WeakPolarHBondContact O-CB 3.43Å; G199-V218 WeakPolarHBondContact O-CG1 3.22Å; G201-V218 WeakPolarHBondContact CA-O 3.44Å; G201-V218 PolarHBondContact N-O 3.32Å; E202-V218 HydrophobicContact CB-CG2 4.29Å; E202-V218 PolarHBondContact O-N 2.85Å; V204-V218 HydrophobicContact CG1-CG2 4.11Å; V204-V218 HydrophobicContact CG2-CG2 4.3Å; V218-R234 HydrophobicContact CG1-CB 4.28Å; V218-R234 HydrophobicContact CG1-CG 4.49Å; V218-W235 WeakPolarHBondContact CA-O 3.35Å; V218-L236 HydrophobicContact CB-CD2 4.3Å; V218-L236 HydrophobicContact CG2-CD2 3.72Å
219	V	87.9	Confident	78.6	Confident	19 Å²	19	63 Å²	63	12%	0.115	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	157.4	-177.3	-67.8	0	0	0	0	112.2	Y192 I217 M224 W235 Q237 F244	Y192-V219 WeakPolarHBondContact CE2-O 3.12Å; Y192-V219 PolarHBondContact OH-O 2.86Å; I217-V219 HydrophobicContact CG2-CG1 4.32Å; V219-M224 HydrophobicContact CG2-CE 3.83Å; V219-M224 HydrophobicContact CG2-SD 3.74Å; V219-W235 HydrophobicContact CG2-CB 3.9Å; V219-W235 WeakPolarHBondContact CG2-O 3.21Å; V219-W235 PolarHBondContact N-O 3.03Å; V219-Q237 HydrophobicContact CG1-CB 4.03Å; V219-F244 HydrophobicContact CG2-CD1 4.04Å; V219-F244 HydrophobicContact CG2-CE1 4.21Å
220	T	82	Confident	78.9	Confident	15 Å²	15	56 Å²	56	9%	0.092	30%	0.303	C	S	.	.			trans	-75.8	141.4	175.2	159.5	0	0	0	0	111.1	E191 V200 R222 A223 M224	E191-T220 WeakPolarHBondContact OE1-CA 3.33Å; E191-T220 WeakPolarHBondContact OE1-CB 3.38Å; E191-T220 PolarHBondContact OE1-OG1 2.91Å; E191-T220 WeakPolarHBondContact OE2-CB 3.49Å; E191-T220 PolarHBondContact OE2-OG1 3.09Å; V200-T220 HydrophobicContact CG1-CG2 4.24Å; T220-R222 VanDerWaalsContact C-N 3.26Å; T220-R222 PolarHBondContact O-N 2.89Å; T220-R222 WeakPolarHBondContact OG1-CB 3.4Å; T220-R222 PolarHBondContact OG1-N 2.83Å; T220-R222 VanDerWaalsContact OG1-N 3.08Å; T220-A223 HydrophobicContact CG2-CB 3.67Å; T220-M224 WeakPolarHBondContact O-CE 3.25Å
221	W	71.8	Confident	79.3	Confident	65 Å²	65	59.7 Å²	59.7	25%	0.246	30%	0.299	C	S	.	.	S	Bend	trans	-67.2	-30.3	173.9	61	-96.4	0	0	0	112.4	E191 M224 G225 K226 R227 Q228	E191-W221 PolarHBondContact OE1-N 3.13Å; E191-W221 PolarHBondContact OE1-NE1 2.74Å; W221-M224 PolarHBondContact O-N 2.89Å; W221-G225 PolarHBondContact O-N 3.45Å; W221-K226 VanDerWaalsContact CE3-O 3.31Å; W221-K226 PolarHBondContact O-N 3.31Å; W221-R227 WeakPolarHBondContact CB-O 3.4Å; W221-Q228 HydrophobicContact CD2-CB 4.2Å; W221-Q228 HydrophobicContact CG-CB 4.36Å; W221-Q228 HydrophobicContact CZ2-CB 4.34Å
222	R	68.6	Low	79.5	Confident	123 Å²	123	53.8 Å²	53.8	46%	0.464	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-63.7	-47.6	-176.6	-60.3	175.8	170.5	126.9	-16.9	111.5	E191 T220 M224 G225	E191-R222 WeakPolarHBondContact OE2-CD 3.26Å; E191-R222 IonicContact OE2-CZ 2.66Å; E191-R222 IonicContact OE2-NE 2.81Å; E191-R222 IonicContact OE2-NH1 3.15Å; E191-R222 PolarHBondContact OE2-NH1 3.48Å; T220-R222 VanDerWaalsContact C-N 3.26Å; T220-R222 PolarHBondContact O-N 2.89Å; T220-R222 WeakPolarHBondContact OG1-CB 3.4Å; T220-R222 PolarHBondContact OG1-N 2.83Å; T220-R222 VanDerWaalsContact OG1-N 3.08Å; R222-M224 PolarHBondContact O-N 3.43Å; R222-M224 VanDerWaalsContact O-N 3.14Å; R222-G225 PolarHBondContact O-N 3.23Å
223	A	55	Low	79.6	Confident	52 Å²	52	54.9 Å²	54.9	43%	0.43	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-67.3	-13.3	-178.6	0	0	0	0	0	114.3	T220 I338	T220-A223 HydrophobicContact CG2-CB 3.67Å; A223-I338 HydrophobicContact CB-CG1 4.35Å
224	M	58.5	Low	79.4	Confident	35 Å²	35	51.8 Å²	51.8	17%	0.172	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-107.3	-1.9	-178.2	-58	-174.4	-70.7	0	0	114.1	V219 T220 W221 R222 K226 W235 F244	V219-M224 HydrophobicContact CG2-CE 3.83Å; V219-M224 HydrophobicContact CG2-SD 3.74Å; T220-M224 WeakPolarHBondContact O-CE 3.25Å; W221-M224 PolarHBondContact O-N 2.89Å; R222-M224 PolarHBondContact O-N 3.43Å; R222-M224 VanDerWaalsContact O-N 3.14Å; M224-K226 VanDerWaalsContact C-N 3.27Å; M224-K226 HydrophobicContact CB-CB 4.45Å; M224-K226 HydrophobicContact CB-CG 3.63Å; M224-K226 HydrophobicContact CE-CB 4.41Å; M224-K226 HydrophobicContact CE-CG 4.02Å; M224-K226 PolarHBondContact O-N 3.06Å; M224-K226 HydrophobicContact SD-CG 4.45Å; M224-W235 HydrophobicContact CE-CB 3.49Å; M224-W235 VanDerWaalsContact CE-CB 3.49Å; M224-W235 HydrophobicContact CE-CD2 3.64Å; M224-W235 HydrophobicContact CE-CE3 4.03Å; M224-W235 HydrophobicContact CE-CG 3.4Å; M224-F244 HydrophobicContact CG-CD1 4.46Å; M224-F244 HydrophobicContact CG-CE1 4.23Å; M224-F244 HydrophobicContact SD-CB 4.21Å; M224-F244 HydrophobicContact SD-CD1 3.22Å; M224-F244 WeakPolarHBondContact SD-CD1 3.29Å; M224-F244 HydrophobicContact SD-CD2 4.44Å; M224-F244 HydrophobicContact SD-CE1 3.53Å; M224-F244 VanDerWaalsContact SD-CE1 3.53Å; M224-F244 HydrophobicContact SD-CG 3.72Å; M224-F244 HydrophobicContact SD-CZ 4.28Å
225	G	58.2	Low	79.2	Confident	68 Å²	68	51.3 Å²	51.3	70%	0.701	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	37.6	-171.3	0	0	0	0	0	113.1	W221 R222	W221-G225 PolarHBondContact O-N 3.45Å; R222-G225 PolarHBondContact O-N 3.23Å
226	K	64.1	Low	78.9	Confident	73 Å²	73	51.3 Å²	51.3	32%	0.317	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-103.9	164.2	179.2	-59.5	-59.2	173.7	-171.7	0	111.1	W221 M224 W235	W221-K226 VanDerWaalsContact CE3-O 3.31Å; W221-K226 PolarHBondContact O-N 3.31Å; M224-K226 VanDerWaalsContact C-N 3.27Å; M224-K226 HydrophobicContact CB-CB 4.45Å; M224-K226 HydrophobicContact CB-CG 3.63Å; M224-K226 HydrophobicContact CE-CB 4.41Å; M224-K226 HydrophobicContact CE-CG 4.02Å; M224-K226 PolarHBondContact O-N 3.06Å; M224-K226 HydrophobicContact SD-CG 4.45Å; K226-W235 HydrophobicContact CB-CZ2 3.83Å; K226-W235 HydrophobicContact CD-CH2 4.46Å; K226-W235 HydrophobicContact CG-CH2 4.33Å; K226-W235 HydrophobicContact CG-CZ2 4.11Å
227	R	75	Confident	78.7	Confident	171 Å²	171	54.6 Å²	54.6	65%	0.645	28%	0.278	S	S	*	.	P	Polyproline II helix	trans	-58.1	149.4	164.4	68	173.8	-175.5	-154	2.4	110.3	W221 A229 W235 E246	W221-R227 WeakPolarHBondContact CB-O 3.4Å; R227-A229 PolarHBondContact O-N 3.34Å; R227-W235 PolarHBondContact O-NE1 3.22Å; R227-E246 IonicContact CZ-OE2 3.64Å; R227-E246 IonicContact NE-OE2 3.85Å; R227-E246 PolarHBondContact NE-OE2 3.11Å; R227-E246 IonicContact NH2-OE2 2.74Å; R227-E246 PolarHBondContact NH2-OE2 3.35Å
228	Q	77.9	Confident	78.7	Confident	128 Å²	128	55 Å²	55	60%	0.598	28%	0.279	S	S	*	.	P	Polyproline II helix	trans	-49.9	137.2	164	-177.1	171.3	0.9	0	0	109.9	W221	W221-Q228 HydrophobicContact CD2-CB 4.2Å; W221-Q228 HydrophobicContact CG-CB 4.36Å; W221-Q228 HydrophobicContact CZ2-CB 4.34Å
229	A	76	Confident	78.6	Confident	12 Å²	12	55.6 Å²	55.6	10%	0.099	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-64.1	144.8	176.4	0	0	0	0	0	110.1	Y192 R227 M233	Y192-A229 HydrophobicContact CE1-CB 3.91Å; R227-A229 PolarHBondContact O-N 3.34Å; A229-M233 HydrophobicContact CB-CB 4.2Å
230	S	79.9	Confident	78.6	Confident	57 Å²	57	55 Å²	55	40%	0.399	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-61.9	152.2	175.8	-38.3	0	0	0	0	110.4	G232 M233 E246	S230-G232 PolarHBondContact O-N 2.72Å; S230-M233 WeakPolarHBondContact O-CA 3.23Å; S230-M233 VanDerWaalsContact O-CB 3.23Å; S230-M233 WeakPolarHBondContact O-CB 3.35Å; S230-M233 PolarHBondContact O-N 3.2Å; S230-E246 WeakPolarHBondContact CB-OE1 3.48Å; S230-E246 PolarHBondContact N-OE1 3.4Å; S230-E246 PolarHBondContact OG-OE1 3.39Å
231	H	79.9	Confident	78.3	Confident	157 Å²	157	58.1 Å²	58.1	73%	0.727	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	126.6	178.6	-176.2	-74.3	0	0	0	111.8	M233	H231-M233 VanDerWaalsContact C-N 3.31Å
232	G	83.4	Confident	78.8	Confident	7 Å²	7	56.5 Å²	56.5	7%	0.072	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.7	10.5	-173.2	0	0	0	0	0	115.7	D194 S230 S248 A249	D194-G232 WeakPolarHBondContact OD2-CA 3.35Å; D194-G232 PolarHBondContact OD2-N 3.05Å; S230-G232 PolarHBondContact O-N 2.72Å; G232-S248 WeakPolarHBondContact O-CA 3.21Å; G232-A249 PolarHBondContact O-N 3.08Å
233	M	88.4	Confident	79.6	Confident	61 Å²	61	57 Å²	57	30%	0.3	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	156.7	168	-56.5	-72.2	177	0	0	111	A229 S230 H231 E246 V247 S248	A229-M233 HydrophobicContact CB-CB 4.2Å; S230-M233 WeakPolarHBondContact O-CA 3.23Å; S230-M233 VanDerWaalsContact O-CB 3.23Å; S230-M233 WeakPolarHBondContact O-CB 3.35Å; S230-M233 PolarHBondContact O-N 3.2Å; H231-M233 VanDerWaalsContact C-N 3.31Å; M233-E246 HydrophobicContact CB-CG 3.7Å; M233-E246 HydrophobicContact CG-CG 4.03Å; M233-V247 CarbonylContact C-O 3.57Å; M233-V247 WeakPolarHBondContact CA-O 3.23Å; M233-S248 WeakPolarHBondContact SD-CA 3.09Å; M233-S248 PolarHBondContact SD-N 2.72Å; M233-S248 VanDerWaalsContact SD-N 3.35Å
234	R	89.9	Confident	81.2	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	143.6	170.4	-59.6	-61.9	175.3	-102.5	2.7	109.6	D194 G197 F198 V218 E246 V247 L252	D194-R234 IonicContact OD1-CZ 3.15Å; D194-R234 IonicContact OD1-NH1 3.29Å; D194-R234 PolarHBondContact OD1-NH1 3.11Å; D194-R234 IonicContact OD1-NH2 2.82Å; D194-R234 PolarHBondContact OD1-NH2 3.02Å; D194-R234 IonicContact OD2-CZ 2.71Å; D194-R234 IonicContact OD2-NH1 3.75Å; D194-R234 PolarHBondContact OD2-NH1 3.38Å; D194-R234 IonicContact OD2-NH2 3.81Å; G197-R234 PolarHBondContact O-NE 2.85Å; G197-R234 VanDerWaalsContact O-NE 3.12Å; G197-R234 PolarHBondContact O-NH2 2.7Å; F198-R234 HydrophobicContact CB-CG 4.41Å; F198-R234 VanDerWaalsContact O-CD 3.3Å; F198-R234 WeakPolarHBondContact O-CD 3.33Å; F198-R234 PolarHBondContact O-NE 2.77Å; V218-R234 HydrophobicContact CG1-CB 4.28Å; V218-R234 HydrophobicContact CG1-CG 4.49Å; R234-E246 WeakPolarHBondContact O-CA 3.02Å; R234-V247 PolarHBondContact N-O 2.65Å; R234-V247 PolarHBondContact O-N 3.19Å; R234-L252 HydrophobicContact CB-CD1 4.04Å; R234-L252 HydrophobicContact CG-CD1 3.88Å
235	W	89.7	Confident	82.6	Confident	29 Å²	29	58.6 Å²	58.6	11%	0.11	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	122.6	160.9	-77.8	105.7	0	0	0	109.3	Y192 V218 V219 M224 K226 R227 F244 S245 E246	Y192-W235 PolarHBondContact OH-N 2.75Å; V218-W235 WeakPolarHBondContact CA-O 3.35Å; V219-W235 HydrophobicContact CG2-CB 3.9Å; V219-W235 WeakPolarHBondContact CG2-O 3.21Å; V219-W235 PolarHBondContact N-O 3.03Å; M224-W235 HydrophobicContact CE-CB 3.49Å; M224-W235 VanDerWaalsContact CE-CB 3.49Å; M224-W235 HydrophobicContact CE-CD2 3.64Å; M224-W235 HydrophobicContact CE-CE3 4.03Å; M224-W235 HydrophobicContact CE-CG 3.4Å; K226-W235 HydrophobicContact CB-CZ2 3.83Å; K226-W235 HydrophobicContact CD-CH2 4.46Å; K226-W235 HydrophobicContact CG-CH2 4.33Å; K226-W235 HydrophobicContact CG-CZ2 4.11Å; R227-W235 PolarHBondContact O-NE1 3.22Å; W235-F244 HydrophobicContact CE3-CB 4.4Å; W235-F244 HydrophobicContact CZ3-CB 4.48Å; W235-S245 WeakPolarHBondContact CA-O 3.23Å; W235-S245 VanDerWaalsContact CE3-C 3.48Å; W235-E246 HydrophobicContact CD2-CB 4.35Å; W235-E246 HydrophobicContact CE3-CB 4.31Å; W235-E246 HydrophobicContact CH2-CB 4.26Å; W235-E246 HydrophobicContact CZ2-CB 4.31Å; W235-E246 HydrophobicContact CZ3-CB 4.27Å
236	L	90.8	Very high	84.1	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	146.9	167.9	-62.8	-166.5	0	0	0	110.9	V204 I217 V218 W238 F244 S245 V247 L252	V204-L236 HydrophobicContact CG2-CD1 3.89Å; V204-L236 HydrophobicContact CG2-CD2 3.6Å; V204-L236 HydrophobicContact CG2-CG 4.42Å; I217-L236 CarbonylContact O-C 3.55Å; I217-L236 WeakPolarHBondContact O-CA 3.22Å; V218-L236 HydrophobicContact CB-CD2 4.3Å; V218-L236 HydrophobicContact CG2-CD2 3.72Å; L236-W238 HydrophobicContact CD1-CE3 4.34Å; L236-W238 HydrophobicContact CD1-CH2 3.56Å; L236-W238 HydrophobicContact CD1-CZ2 4.04Å; L236-W238 HydrophobicContact CD1-CZ3 3.71Å; L236-F244 CarbonylContact O-C 3.52Å; L236-F244 WeakPolarHBondContact O-CA 3.31Å; L236-S245 PolarHBondContact N-O 3.37Å; L236-S245 PolarHBondContact O-N 3.21Å; L236-V247 HydrophobicContact CD1-CB 4.48Å; L236-V247 HydrophobicContact CD1-CG2 4.2Å; L236-V247 HydrophobicContact CG-CB 4.47Å; L236-V247 HydrophobicContact CG-CG2 4.26Å; L236-L252 HydrophobicContact CD1-CD2 3.64Å; L236-L252 HydrophobicContact CD2-CD1 4.27Å; L236-L252 HydrophobicContact CD2-CD2 4.48Å; L236-L252 HydrophobicContact CG-CD2 4.32Å
237	Q	91.1	Very high	85.3	Confident	69 Å²	69	54.6 Å²	54.6	32%	0.322	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	129.4	154.7	-168.1	175.4	11.8	0	0	108.7	G216 I217 V219 K243 F244	G216-Q237 CarbonylContact C-O 3.57Å; G216-Q237 WeakPolarHBondContact CA-O 3.5Å; I217-Q237 HydrophobicContact CG2-CB 3.91Å; I217-Q237 PolarHBondContact N-O 2.94Å; I217-Q237 PolarHBondContact O-N 2.98Å; V219-Q237 HydrophobicContact CG1-CB 4.03Å; Q237-K243 CarbonylContact C-O 3.55Å; Q237-K243 WeakPolarHBondContact CA-O 3.27Å; Q237-F244 HydrophobicContact CB-CD1 3.67Å; Q237-F244 HydrophobicContact CB-CE1 3.51Å; Q237-F244 HydrophobicContact CB-CZ 4.41Å; Q237-F244 VanDerWaalsContact CD-CE1 3.42Å; Q237-F244 HydrophobicContact CG-CD1 3.82Å; Q237-F244 HydrophobicContact CG-CE1 3.42Å; Q237-F244 VanDerWaalsContact CG-CE1 3.42Å; Q237-F244 HydrophobicContact CG-CZ 3.83Å
238	W	92.2	Very high	86	Confident	14 Å²	14	47.5 Å²	47.5	5%	0.053	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	136.9	179.6	-56.6	108.2	0	0	0	111.3	I208 W214 L236 G242 K243 S245 V247	I208-W238 HydrophobicContact CD1-CH2 4.28Å; I208-W238 HydrophobicContact CD1-CZ2 3.56Å; I208-W238 HydrophobicContact CG1-CH2 4.14Å; I208-W238 HydrophobicContact CG1-CZ2 3.78Å; W214-W238 HydrophobicContact CB-CE3 4.05Å; W214-W238 HydrophobicContact CB-CZ3 4.09Å; W214-W238 AromaticContact CD1-CE3 3.95Å; W214-W238 HydrophobicContact CG-CE3 4.34Å; W214-W238 WeakPolarHBondContact O-CZ3 3.35Å; L236-W238 HydrophobicContact CD1-CE3 4.34Å; L236-W238 HydrophobicContact CD1-CH2 3.56Å; L236-W238 HydrophobicContact CD1-CZ2 4.04Å; L236-W238 HydrophobicContact CD1-CZ3 3.71Å; W238-G242 VanDerWaalsContact O-CA 3.25Å; W238-G242 WeakPolarHBondContact O-CA 3.37Å; W238-G242 PolarHBondContact O-N 3.2Å; W238-K243 VanDerWaalsContact CD1-O 3.22Å; W238-K243 PolarHBondContact N-O 2.97Å; W238-S245 PolarHBondContact NE1-OG 2.77Å; W238-V247 HydrophobicContact CH2-CG2 4.17Å; W238-V247 HydrophobicContact CZ2-CG2 3.75Å
239	F	90.6	Very high	86.5	Confident	13 Å²	13	41.6 Å²	41.6	6%	0.057	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	155.8	170.8	-67.8	-71.8	0	0	0	110.9	L203 W214 P215 I217 D241 A276 Q279 A280 M283 L343	L203-F239 HydrophobicContact CD2-CE2 4.23Å; L203-F239 HydrophobicContact CD2-CZ 3.98Å; W214-F239 PolarHBondContact NE1-O 3.25Å; P215-F239 HydrophobicContact CB-CD2 4.1Å; P215-F239 HydrophobicContact CG-CB 4.34Å; P215-F239 HydrophobicContact CG-CD2 4.49Å; P215-F239 PolarHBondContact O-N 2.69Å; P215-F239 VanDerWaalsContact O-N 3.11Å; I217-F239 HydrophobicContact CB-CE2 4.31Å; I217-F239 HydrophobicContact CB-CZ 4.12Å; I217-F239 HydrophobicContact CG2-CZ 4.23Å; F239-D241 PolarHBondContact O-N 3.41Å; F239-A276 HydrophobicContact CB-CB 4.23Å; F239-A276 VanDerWaalsContact CB-O 3.3Å; F239-A276 WeakPolarHBondContact CB-O 3.48Å; F239-A276 WeakPolarHBondContact O-CB 3.36Å; F239-Q279 HydrophobicContact CB-CB 4.19Å; F239-Q279 HydrophobicContact CD1-CB 3.77Å; F239-Q279 HydrophobicContact CG-CB 4.3Å; F239-A280 HydrophobicContact CB-CB 4.47Å; F239-A280 HydrophobicContact CD2-CB 3.61Å; F239-A280 HydrophobicContact CE2-CB 3.98Å; F239-A280 HydrophobicContact CG-CB 4.05Å; F239-M283 HydrophobicContact CE1-CB 4.21Å; F239-M283 HydrophobicContact CE1-CE 4.19Å; F239-M283 HydrophobicContact CE1-CG 4.45Å; F239-M283 HydrophobicContact CZ-CB 4.11Å; F239-M283 HydrophobicContact CZ-CE 4.37Å; F239-M283 HydrophobicContact CZ-CG 4.06Å; F239-L343 HydrophobicContact CE1-CD1 4.11Å
240	G	87.5	Confident	87.1	Confident	6 Å²	6	46.4 Å²	46.4	6%	0.062	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.1	-57.3	-179.3	0	0	0	0	0	113.3	K275	G240-K275 WeakPolarHBondContact O-CD 3.28Å; G240-K275 WeakPolarHBondContact O-CE 3.37Å; G240-K275 PolarHBondContact O-NZ 3.36Å
241	D	75.3	Confident	87.6	Confident	81 Å²	81	49.2 Å²	49.2	43%	0.433	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.8	-7.5	-177.8	82.2	-2.9	0	0	0	115.3	F239 K243	F239-D241 PolarHBondContact O-N 3.41Å; D241-K243 PolarHBondContact O-N 2.73Å; D241-K243 WeakPolarHBondContact OD1-CB 3.49Å; D241-K243 WeakPolarHBondContact OD1-CG 3.11Å; D241-K243 PolarHBondContact OD1-N 3.04Å; D241-K243 WeakPolarHBondContact OD2-CD 3.03Å; D241-K243 WeakPolarHBondContact OD2-CE 3.45Å; D241-K243 IonicContact OD2-NZ 3.7Å; D241-K243 PolarHBondContact OD2-NZ 3.23Å
242	G	83.1	Confident	88.3	Confident	30 Å²	30	42.4 Å²	42.4	31%	0.309	22%	0.218	S	C	.	.			trans	69.7	8.5	174.5	0	0	0	0	0	115.3	W238	W238-G242 VanDerWaalsContact O-CA 3.25Å; W238-G242 WeakPolarHBondContact O-CA 3.37Å; W238-G242 PolarHBondContact O-N 3.2Å
243	K	86	Confident	88.7	Confident	133 Å²	133	44.1 Å²	44.1	58%	0.578	23%	0.225	S	C	*	.			trans	-67.8	156.3	179.5	-70.2	-171.1	-172.8	100.5	0	111.6	Q237 W238 D241	Q237-K243 CarbonylContact C-O 3.55Å; Q237-K243 WeakPolarHBondContact CA-O 3.27Å; W238-K243 VanDerWaalsContact CD1-O 3.22Å; W238-K243 PolarHBondContact N-O 2.97Å; D241-K243 PolarHBondContact O-N 2.73Å; D241-K243 WeakPolarHBondContact OD1-CB 3.49Å; D241-K243 WeakPolarHBondContact OD1-CG 3.11Å; D241-K243 PolarHBondContact OD1-N 3.04Å; D241-K243 WeakPolarHBondContact OD2-CD 3.03Å; D241-K243 WeakPolarHBondContact OD2-CE 3.45Å; D241-K243 IonicContact OD2-NZ 3.7Å; D241-K243 PolarHBondContact OD2-NZ 3.23Å
244	F	86.9	Confident	88.9	Confident	87 Å²	87	42.6 Å²	42.6	38%	0.382	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	147.9	177.9	-58.9	-85.9	0	0	0	112.2	V219 M224 W235 L236 Q237	V219-F244 HydrophobicContact CG2-CD1 4.04Å; V219-F244 HydrophobicContact CG2-CE1 4.21Å; M224-F244 HydrophobicContact CG-CD1 4.46Å; M224-F244 HydrophobicContact CG-CE1 4.23Å; M224-F244 HydrophobicContact SD-CB 4.21Å; M224-F244 HydrophobicContact SD-CD1 3.22Å; M224-F244 WeakPolarHBondContact SD-CD1 3.29Å; M224-F244 HydrophobicContact SD-CD2 4.44Å; M224-F244 HydrophobicContact SD-CE1 3.53Å; M224-F244 VanDerWaalsContact SD-CE1 3.53Å; M224-F244 HydrophobicContact SD-CG 3.72Å; M224-F244 HydrophobicContact SD-CZ 4.28Å; W235-F244 HydrophobicContact CE3-CB 4.4Å; W235-F244 HydrophobicContact CZ3-CB 4.48Å; L236-F244 CarbonylContact O-C 3.52Å; L236-F244 WeakPolarHBondContact O-CA 3.31Å; Q237-F244 HydrophobicContact CB-CD1 3.67Å; Q237-F244 HydrophobicContact CB-CE1 3.51Å; Q237-F244 HydrophobicContact CB-CZ 4.41Å; Q237-F244 VanDerWaalsContact CD-CE1 3.42Å; Q237-F244 HydrophobicContact CG-CD1 3.82Å; Q237-F244 HydrophobicContact CG-CE1 3.42Å; Q237-F244 VanDerWaalsContact CG-CE1 3.42Å; Q237-F244 HydrophobicContact CG-CZ 3.83Å
245	S	88.6	Confident	89	Confident	34 Å²	34	42.6 Å²	42.6	24%	0.238	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	141.9	176	-62.2	0	0	0	0	112.4	W235 L236 W238	W235-S245 WeakPolarHBondContact CA-O 3.23Å; W235-S245 VanDerWaalsContact CE3-C 3.48Å; L236-S245 PolarHBondContact N-O 3.37Å; L236-S245 PolarHBondContact O-N 3.21Å; W238-S245 PolarHBondContact NE1-OG 2.77Å
246	E	90.1	Very high	89	Confident	46 Å²	46	43.5 Å²	43.5	22%	0.215	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	118	167.2	-173.1	175.9	-179.6	0	0	108.3	R227 S230 M233 R234 W235	R227-E246 IonicContact CZ-OE2 3.64Å; R227-E246 IonicContact NE-OE2 3.85Å; R227-E246 PolarHBondContact NE-OE2 3.11Å; R227-E246 IonicContact NH2-OE2 2.74Å; R227-E246 PolarHBondContact NH2-OE2 3.35Å; S230-E246 WeakPolarHBondContact CB-OE1 3.48Å; S230-E246 PolarHBondContact N-OE1 3.4Å; S230-E246 PolarHBondContact OG-OE1 3.39Å; M233-E246 HydrophobicContact CB-CG 3.7Å; M233-E246 HydrophobicContact CG-CG 4.03Å; R234-E246 WeakPolarHBondContact O-CA 3.02Å; W235-E246 HydrophobicContact CD2-CB 4.35Å; W235-E246 HydrophobicContact CE3-CB 4.31Å; W235-E246 HydrophobicContact CH2-CB 4.26Å; W235-E246 HydrophobicContact CZ2-CB 4.31Å; W235-E246 HydrophobicContact CZ3-CB 4.27Å
247	V	88.4	Confident	89	Confident	11 Å²	11	44.4 Å²	44.4	7%	0.067	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	136.3	-173.8	-173.1	0	0	0	0	109.7	M233 R234 L236 W238 K251 L252	M233-V247 CarbonylContact C-O 3.57Å; M233-V247 WeakPolarHBondContact CA-O 3.23Å; R234-V247 PolarHBondContact N-O 2.65Å; R234-V247 PolarHBondContact O-N 3.19Å; L236-V247 HydrophobicContact CD1-CB 4.48Å; L236-V247 HydrophobicContact CD1-CG2 4.2Å; L236-V247 HydrophobicContact CG-CB 4.47Å; L236-V247 HydrophobicContact CG-CG2 4.26Å; W238-V247 HydrophobicContact CH2-CG2 4.17Å; W238-V247 HydrophobicContact CZ2-CG2 3.75Å; V247-K251 HydrophobicContact CG1-CB 4.23Å; V247-L252 HydrophobicContact CB-CD2 4.17Å; V247-L252 HydrophobicContact CG1-CD2 3.66Å
248	S	89.5	Confident	89	Confident	22 Å²	22	41.1 Å²	41.1	15%	0.154	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	135.3	175.4	167.3	0	0	0	0	110.8	G232 M233 D250 K251	G232-S248 WeakPolarHBondContact O-CA 3.21Å; M233-S248 WeakPolarHBondContact SD-CA 3.09Å; M233-S248 PolarHBondContact SD-N 2.72Å; M233-S248 VanDerWaalsContact SD-N 3.35Å; S248-D250 PolarHBondContact O-N 3.23Å; S248-D250 PolarHBondContact OG-N 3.02Å; S248-K251 WeakPolarHBondContact O-CB 3.4Å; S248-K251 PolarHBondContact O-N 3.45Å
249	A	88.6	Confident	88.9	Confident	5 Å²	5	44.4 Å²	44.4	4%	0.041	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-56.6	-32.8	178.1	0	0	0	0	0	112.5	K196 G232 K251 L252	K196-A249 HydrophobicContact CB-CB 3.89Å; K196-A249 WeakPolarHBondContact O-CB 3.3Å; G232-A249 PolarHBondContact O-N 3.08Å; A249-K251 PolarHBondContact O-N 3Å; A249-L252 WeakPolarHBondContact O-CB 3.09Å; A249-L252 PolarHBondContact O-N 3.08Å
250	D	89.5	Confident	88.9	Confident	113 Å²	113	50.4 Å²	50.4	60%	0.604	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-68.1	2	175.6	-47.5	-44.5	0	0	0	113.4	K196 S248	K196-D250 IonicContact NZ-OD1 2.69Å; K196-D250 PolarHBondContact NZ-OD1 2.9Å; K196-D250 IonicContact NZ-OD2 3.28Å; K196-D250 PolarHBondContact NZ-OD2 3.5Å; S248-D250 PolarHBondContact O-N 3.23Å; S248-D250 PolarHBondContact OG-N 3.02Å
251	K	90.9	Very high	89.1	Confident	115 Å²	115	51 Å²	51	50%	0.5	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-123.5	15.2	174.5	-64.1	175.6	-174.6	160	0	112.5	K207 W213 V247 S248 A249	K207-K251 HydrophobicContact CB-CB 4.34Å; K207-K251 PolarHBondContact N-O 3.25Å; W213-K251 WeakPolarHBondContact CZ3-O 3.44Å; V247-K251 HydrophobicContact CG1-CB 4.23Å; S248-K251 WeakPolarHBondContact O-CB 3.4Å; S248-K251 PolarHBondContact O-N 3.45Å; A249-K251 PolarHBondContact O-N 3Å
252	L	92.8	Very high	89.9	Confident	15 Å²	15	48.8 Å²	48.8	8%	0.079	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	153.9	173.4	-54	-173.3	0	0	0	110	F198 W205 R234 L236 V247 A249	F198-L252 HydrophobicContact CB-CD1 4.3Å; F198-L252 HydrophobicContact CD2-CB 3.82Å; F198-L252 HydrophobicContact CD2-CD1 4.01Å; F198-L252 HydrophobicContact CD2-CG 4.49Å; F198-L252 HydrophobicContact CE2-CB 3.61Å; F198-L252 HydrophobicContact CG-CB 4.39Å; F198-L252 HydrophobicContact CG-CD1 4.19Å; F198-L252 HydrophobicContact CZ-CB 4.02Å; W205-L252 CarbonylContact O-C 3.57Å; W205-L252 VanDerWaalsContact O-CA 3.29Å; W205-L252 WeakPolarHBondContact O-CA 3.32Å; R234-L252 HydrophobicContact CB-CD1 4.04Å; R234-L252 HydrophobicContact CG-CD1 3.88Å; L236-L252 HydrophobicContact CD1-CD2 3.64Å; L236-L252 HydrophobicContact CD2-CD1 4.27Å; L236-L252 HydrophobicContact CD2-CD2 4.48Å; L236-L252 HydrophobicContact CG-CD2 4.32Å; V247-L252 HydrophobicContact CB-CD2 4.17Å; V247-L252 HydrophobicContact CG1-CD2 3.66Å; A249-L252 WeakPolarHBondContact O-CB 3.09Å; A249-L252 PolarHBondContact O-N 3.08Å
253	D	93.1	Very high	90.2	Very high	43 Å²	43	49 Å²	49	23%	0.23	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	156.7	170.8	-153.2	-34.7	0	0	0	108.5	V204 W205 W213 K260 F261	V204-D253 CarbonylContact C-O 3.53Å; V204-D253 VanDerWaalsContact CA-O 3.28Å; V204-D253 WeakPolarHBondContact CA-O 3.29Å; V204-D253 WeakPolarHBondContact CB-O 3.33Å; W205-D253 PolarHBondContact N-O 2.81Å; W205-D253 PolarHBondContact O-N 3.45Å; W213-D253 HydrophobicContact CZ3-CB 4.49Å; D253-K260 IonicContact OD2-NZ 2.74Å; D253-K260 PolarHBondContact OD2-NZ 3.44Å; D253-F261 HydrophobicContact CB-CD2 4.34Å; D253-F261 HydrophobicContact CB-CE2 3.4Å; D253-F261 VanDerWaalsContact CB-CE2 3.4Å; D253-F261 HydrophobicContact CB-CZ 3.8Å; D253-F261 VanDerWaalsContact CG-CE2 3.44Å; D253-F261 WeakPolarHBondContact OD2-CE2 3.13Å; D253-F261 WeakPolarHBondContact OD2-CZ 3.5Å
254	S	91.5	Very high	90.3	Very high	29 Å²	29	47.9 Å²	47.9	20%	0.203	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	143.7	-176.9	178.7	0	0	0	0	111	M256 A257 E320	S254-M256 PolarHBondContact O-N 2.88Å; S254-M256 PolarHBondContact OG-N 3.04Å; S254-A257 WeakPolarHBondContact O-CB 3.4Å; S254-A257 PolarHBondContact O-N 2.91Å; S254-E320 PolarHBondContact OG-OE1 3.07Å
255	L	93.1	Very high	90.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-55.9	-26.4	175.4	-172.5	70.4	0	0	0	111.9	L203 W205 P215 A257 F258 A280 A284 F315 L323	L203-L255 HydrophobicContact CB-CB 3.78Å; L203-L255 HydrophobicContact CB-CD2 3.8Å; L203-L255 HydrophobicContact CB-CG 4.37Å; L203-L255 HydrophobicContact CD1-CD2 3.82Å; L203-L255 HydrophobicContact CG-CD2 4.44Å; L203-L255 WeakPolarHBondContact O-CB 3.46Å; L203-L255 PolarHBondContact O-N 3.23Å; W205-L255 PolarHBondContact NE1-O 2.9Å; P215-L255 HydrophobicContact CB-CD1 4.24Å; L255-A257 PolarHBondContact O-N 3.22Å; L255-A257 VanDerWaalsContact O-N 3.07Å; L255-F258 HydrophobicContact CD1-CD2 4.5Å; L255-F258 PolarHBondContact O-N 2.84Å; L255-F258 VanDerWaalsContact O-N 3.08Å; L255-A280 HydrophobicContact CD1-CB 4.5Å; L255-A284 HydrophobicContact CD2-CB 4.18Å; L255-F315 HydrophobicContact CD2-CE1 4.46Å; L255-F315 HydrophobicContact CD2-CZ 4.14Å; L255-F315 HydrophobicContact CG-CZ 4.03Å; L255-L323 HydrophobicContact CB-CD1 4.19Å; L255-L323 HydrophobicContact CD2-CD1 4.43Å
256	M	89.5	Confident	90	Very high	48 Å²	48	45.6 Å²	45.6	24%	0.236	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-48.6	-30.5	170.2	-70.9	-60	-66.1	0	0	113.9	S254 F258 G314 F315 E320 L323	S254-M256 PolarHBondContact O-N 2.88Å; S254-M256 PolarHBondContact OG-N 3.04Å; M256-F258 PolarHBondContact O-N 2.79Å; M256-G314 WeakPolarHBondContact CE-O 3.22Å; M256-F315 HydrophobicContact SD-CB 4.36Å; M256-F315 HydrophobicContact SD-CD2 3.66Å; M256-F315 HydrophobicContact SD-CE2 4.44Å; M256-F315 HydrophobicContact SD-CG 4.37Å; M256-E320 HydrophobicContact CE-CB 4.15Å; M256-E320 HydrophobicContact CG-CB 3.84Å; M256-E320 HydrophobicContact CG-CG 3.99Å; M256-E320 VanDerWaalsContact SD-CA 3.55Å; M256-E320 HydrophobicContact SD-CB 3.99Å; M256-E320 PolarHBondContact SD-N 3.12Å; M256-L323 HydrophobicContact CG-CD1 3.95Å; M256-L323 HydrophobicContact SD-CD1 3.57Å; M256-L323 VanDerWaalsContact SD-CD1 3.57Å; M256-L323 HydrophobicContact SD-CG 4.2Å
257	A	90	Very high	89.8	Confident	19 Å²	19	44.3 Å²	44.3	16%	0.157	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-74.7	29.7	175	0	0	0	0	0	113.5	S254 L255 K260 F261	S254-A257 WeakPolarHBondContact O-CB 3.4Å; S254-A257 PolarHBondContact O-N 2.91Å; L255-A257 PolarHBondContact O-N 3.22Å; L255-A257 VanDerWaalsContact O-N 3.07Å; A257-K260 HydrophobicContact CB-CB 4.34Å; A257-K260 HydrophobicContact CB-CD 4.2Å; A257-K260 WeakPolarHBondContact O-CB 3.42Å; A257-K260 PolarHBondContact O-N 2.95Å; A257-F261 HydrophobicContact CB-CD2 3.66Å; A257-F261 HydrophobicContact CB-CE2 3.54Å; A257-F261 WeakPolarHBondContact O-CD2 3.46Å; A257-F261 PolarHBondContact O-N 2.92Å
258	F	91.8	Very high	89.5	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-53.7	-47.9	-176.1	-165	-83.8	0	0	0	113.5	W205 L255 M256 K260 F261 F262 I277 V281 L308 A311 F315	W205-F258 HydrophobicContact CH2-CE2 4.5Å; W205-F258 HydrophobicContact CZ2-CB 4.46Å; W205-F258 AromaticContact CZ2-CD2 3.59Å; W205-F258 HydrophobicContact CZ2-CD2 3.59Å; W205-F258 AromaticContact CZ2-CE2 3.99Å; W205-F258 HydrophobicContact CZ2-CE2 3.99Å; W205-F258 HydrophobicContact CZ2-CG 4.05Å; L255-F258 HydrophobicContact CD1-CD2 4.5Å; L255-F258 PolarHBondContact O-N 2.84Å; L255-F258 VanDerWaalsContact O-N 3.08Å; M256-F258 PolarHBondContact O-N 2.79Å; F258-K260 PolarHBondContact O-N 3.09Å; F258-K260 VanDerWaalsContact O-N 3.15Å; F258-F261 PolarHBondContact O-N 3.35Å; F258-F262 HydrophobicContact CD1-CB 3.97Å; F258-F262 HydrophobicContact CD1-CG 4.42Å; F258-F262 HydrophobicContact CE1-CB 3.82Å; F258-F262 AromaticContact CE1-CD2 3.8Å; F258-F262 HydrophobicContact CE1-CD2 3.8Å; F258-F262 AromaticContact CE1-CG 3.79Å; F258-F262 HydrophobicContact CE1-CG 3.79Å; F258-F262 HydrophobicContact CZ-CB 4.33Å; F258-F262 AromaticContact CZ-CD2 3.73Å; F258-F262 HydrophobicContact CZ-CD2 3.73Å; F258-F262 HydrophobicContact CZ-CE2 4.37Å; F258-F262 HydrophobicContact CZ-CG 4.19Å; F258-F262 WeakPolarHBondContact O-CB 3.29Å; F258-F262 PolarHBondContact O-N 3.14Å; F258-I277 HydrophobicContact CE2-CD1 4.33Å; F258-I277 HydrophobicContact CE2-CG2 4.11Å; F258-I277 HydrophobicContact CZ-CD1 4.48Å; F258-I277 HydrophobicContact CZ-CG2 3.78Å; F258-V281 HydrophobicContact CD2-CG2 4.48Å; F258-V281 HydrophobicContact CE2-CG2 3.64Å; F258-V281 HydrophobicContact CZ-CG2 4.09Å; F258-L308 HydrophobicContact CE1-CD2 4.42Å; F258-L308 HydrophobicContact CZ-CD2 3.95Å; F258-A311 HydrophobicContact CD1-CB 3.78Å; F258-A311 HydrophobicContact CD2-CB 3.84Å; F258-A311 HydrophobicContact CE1-CB 3.8Å; F258-A311 HydrophobicContact CE2-CB 3.87Å; F258-A311 HydrophobicContact CG-CB 3.8Å; F258-A311 HydrophobicContact CZ-CB 3.84Å; F258-F315 HydrophobicContact CB-CE2 4.02Å; F258-F315 HydrophobicContact CB-CZ 4.16Å; F258-F315 HydrophobicContact CD2-CZ 4.05Å; F258-F315 HydrophobicContact CG-CZ 4.35Å
259	P	89.5	Confident	88.9	Confident	82 Å²	82	54.9 Å²	54.9	53%	0.532	29%	0.29	S	S	.	.	H	α-helix	trans	-63.5	-21.5	177.9	-21.8	33.7	0	0	0	114.8	N312	P259-N312 WeakPolarHBondContact CG-O 3.33Å
260	K	90.3	Very high	88.3	Confident	140 Å²	140	58.2 Å²	58.2	61%	0.609	31%	0.307	S	S	*	.	H	α-helix	trans	-84.8	-24.6	-176.5	179.8	-174.7	171.6	-164.8	0	112.5	D253 A257 F258	D253-K260 IonicContact OD2-NZ 2.74Å; D253-K260 PolarHBondContact OD2-NZ 3.44Å; A257-K260 HydrophobicContact CB-CB 4.34Å; A257-K260 HydrophobicContact CB-CD 4.2Å; A257-K260 WeakPolarHBondContact O-CB 3.42Å; A257-K260 PolarHBondContact O-N 2.95Å; F258-K260 PolarHBondContact O-N 3.09Å; F258-K260 VanDerWaalsContact O-N 3.15Å
261	F	93.1	Very high	88	Confident	18 Å²	18	56.3 Å²	56.3	8%	0.079	31%	0.307	C	S	.	.	H	α-helix	trans	-126.6	-17.2	-171	-61.8	-57.4	0	0	0	115.3	W205 W213 D253 A257 F258 S263 Y273	W205-F261 HydrophobicContact CB-CB 4.35Å; W205-F261 HydrophobicContact CB-CD2 3.93Å; W205-F261 HydrophobicContact CB-CG 4.25Å; W205-F261 AromaticContact CD1-CD2 3.65Å; W205-F261 HydrophobicContact CD2-CB 3.51Å; W205-F261 HydrophobicContact CD2-CD2 4.36Å; W205-F261 HydrophobicContact CD2-CG 4.31Å; W205-F261 HydrophobicContact CE3-CB 3.79Å; W205-F261 HydrophobicContact CG-CB 3.78Å; W205-F261 AromaticContact CG-CD2 3.72Å; W205-F261 HydrophobicContact CG-CD2 3.72Å; W205-F261 HydrophobicContact CG-CG 4.05Å; W205-F261 HydrophobicContact CH2-CB 4.41Å; W205-F261 HydrophobicContact CZ2-CB 4.2Å; W205-F261 HydrophobicContact CZ3-CB 4.23Å; W213-F261 HydrophobicContact CB-CB 3.86Å; W213-F261 HydrophobicContact CB-CD1 4.07Å; W213-F261 HydrophobicContact CB-CG 4.24Å; W213-F261 AromaticContact CD1-CD1 3.47Å; W213-F261 VanDerWaalsContact CD1-CD1 3.47Å; W213-F261 AromaticContact CD2-CD1 3.45Å; W213-F261 HydrophobicContact CD2-CD1 3.45Å; W213-F261 VanDerWaalsContact CD2-CD1 3.45Å; W213-F261 AromaticContact CD2-CE1 3.63Å; W213-F261 HydrophobicContact CD2-CE1 3.63Å; W213-F261 HydrophobicContact CD2-CG 4.12Å; W213-F261 HydrophobicContact CD2-CZ 4.43Å; W213-F261 AromaticContact CE2-CD1 3.52Å; W213-F261 AromaticContact CE2-CE1 3.28Å; W213-F261 HydrophobicContact CE3-CD1 4.07Å; W213-F261 HydrophobicContact CE3-CE1 4.11Å; W213-F261 HydrophobicContact CE3-CG 4.4Å; W213-F261 HydrophobicContact CE3-CZ 4.48Å; W213-F261 HydrophobicContact CG-CB 4.2Å; W213-F261 AromaticContact CG-CD1 3.44Å; W213-F261 HydrophobicContact CG-CD1 3.44Å; W213-F261 VanDerWaalsContact CG-CD1 3.44Å; W213-F261 HydrophobicContact CG-CE1 4.09Å; W213-F261 HydrophobicContact CG-CG 4.06Å; W213-F261 AromaticContact CH2-CE1 3.95Å; W213-F261 HydrophobicContact CH2-CE1 3.95Å; W213-F261 HydrophobicContact CH2-CZ 4.06Å; W213-F261 HydrophobicContact CZ2-CD1 4.19Å; W213-F261 AromaticContact CZ2-CE1 3.47Å; W213-F261 HydrophobicContact CZ2-CE1 3.47Å; W213-F261 VanDerWaalsContact CZ2-CE1 3.47Å; W213-F261 HydrophobicContact CZ2-CZ 4.02Å; W213-F261 HydrophobicContact CZ3-CE1 4.24Å; W213-F261 HydrophobicContact CZ3-CZ 4.29Å; W213-F261 AromaticContact NE1-CD1 3.53Å; W213-F261 AromaticContact NE1-CE1 3.55Å; D253-F261 HydrophobicContact CB-CD2 4.34Å; D253-F261 HydrophobicContact CB-CE2 3.4Å; D253-F261 VanDerWaalsContact CB-CE2 3.4Å; D253-F261 HydrophobicContact CB-CZ 3.8Å; D253-F261 VanDerWaalsContact CG-CE2 3.44Å; D253-F261 WeakPolarHBondContact OD2-CE2 3.13Å; D253-F261 WeakPolarHBondContact OD2-CZ 3.5Å; A257-F261 HydrophobicContact CB-CD2 3.66Å; A257-F261 HydrophobicContact CB-CE2 3.54Å; A257-F261 WeakPolarHBondContact O-CD2 3.46Å; A257-F261 PolarHBondContact O-N 2.92Å; F258-F261 PolarHBondContact O-N 3.35Å; F261-S263 PolarHBondContact O-N 2.98Å; F261-Y273 PolarHBondContact O-OH 2.69Å
262	F	91.6	Very high	87.6	Confident	35 Å²	35	53.7 Å²	53.7	15%	0.154	30%	0.303	C	S	.	.			trans	-59.6	125.2	170.1	176.4	-102.4	0	0	0	110.7	W205 F258 Q264 Y267 Y273 I277 L308	W205-F262 HydrophobicContact CH2-CB 4.21Å; W205-F262 HydrophobicContact CZ2-CB 4.35Å; F258-F262 HydrophobicContact CD1-CB 3.97Å; F258-F262 HydrophobicContact CD1-CG 4.42Å; F258-F262 HydrophobicContact CE1-CB 3.82Å; F258-F262 AromaticContact CE1-CD2 3.8Å; F258-F262 HydrophobicContact CE1-CD2 3.8Å; F258-F262 AromaticContact CE1-CG 3.79Å; F258-F262 HydrophobicContact CE1-CG 3.79Å; F258-F262 HydrophobicContact CZ-CB 4.33Å; F258-F262 AromaticContact CZ-CD2 3.73Å; F258-F262 HydrophobicContact CZ-CD2 3.73Å; F258-F262 HydrophobicContact CZ-CE2 4.37Å; F258-F262 HydrophobicContact CZ-CG 4.19Å; F258-F262 WeakPolarHBondContact O-CB 3.29Å; F258-F262 PolarHBondContact O-N 3.14Å; F262-Q264 HydrophobicContact CE1-CB 4.4Å; F262-Y267 AromaticContact CE2-CD2 3.7Å; F262-Y267 HydrophobicContact CE2-CD2 3.7Å; F262-Y267 HydrophobicContact CE2-CE2 4.37Å; F262-Y267 HydrophobicContact CE2-CG 4.08Å; F262-Y267 HydrophobicContact CZ-CD1 4.48Å; F262-Y267 AromaticContact CZ-CD2 3.91Å; F262-Y267 HydrophobicContact CZ-CD2 3.91Å; F262-Y267 AromaticContact CZ-CG 3.86Å; F262-Y267 HydrophobicContact CZ-CG 3.86Å; F262-Y273 HydrophobicContact CD2-CE1 4.4Å; F262-Y273 HydrophobicContact CE2-CE1 4.41Å; F262-I277 HydrophobicContact CD2-CD1 3.9Å; F262-I277 HydrophobicContact CD2-CG1 4.19Å; F262-I277 HydrophobicContact CD2-CG2 4.4Å; F262-I277 HydrophobicContact CE2-CD1 4.36Å; F262-I277 HydrophobicContact CE2-CG1 4.13Å; F262-I277 HydrophobicContact CE2-CG2 4.17Å; F262-L308 HydrophobicContact CE2-CD2 4.21Å
263	S	89.9	Confident	87.3	Confident	33 Å²	33	53 Å²	53	23%	0.231	30%	0.3	C	S	.	.			trans	-112	96.8	-175.3	-178.5	0	0	0	0	110.6	F261 A265 S266 Y267 Y273	F261-S263 PolarHBondContact O-N 2.98Å; S263-A265 PolarHBondContact O-N 3.06Å; S263-S266 VanDerWaalsContact CB-OG 3.28Å; S263-S266 WeakPolarHBondContact CB-OG 3.31Å; S263-S266 CarbonylContact O-C 3.51Å; S263-S266 WeakPolarHBondContact O-CA 3.29Å; S263-S266 WeakPolarHBondContact O-CB 3.27Å; S263-S266 PolarHBondContact O-N 2.93Å; S263-S266 PolarHBondContact OG-N 2.85Å; S263-S266 PolarHBondContact OG-OG 3.2Å; S263-Y267 PolarHBondContact O-N 2.95Å; S263-Y273 PolarHBondContact N-OH 2.85Å
264	Q	87.6	Confident	87.1	Confident	110 Å²	110	54.2 Å²	54.2	51%	0.514	30%	0.301	S	S	.	.	H	α-helix	trans	-51.7	-41.6	176.3	-173	61.6	40.4	0	0	112.3	F262 S266 Y267 T268	F262-Q264 HydrophobicContact CE1-CB 4.4Å; Q264-S266 VanDerWaalsContact C-N 3.31Å; Q264-S266 PolarHBondContact O-N 2.96Å; Q264-Y267 WeakPolarHBondContact O-CB 3.28Å; Q264-Y267 PolarHBondContact O-N 3.14Å; Q264-T268 PolarHBondContact NE2-OG1 2.83Å; Q264-T268 PolarHBondContact O-N 2.73Å; Q264-T268 PolarHBondContact O-OG1 3.39Å
265	A	84	Confident	86.8	Confident	63 Å²	63	58.1 Å²	58.1	52%	0.521	31%	0.314	S	S	.	.	H	α-helix	trans	-65.6	-30.5	177.2	0	0	0	0	0	113.5	S263 K269	S263-A265 PolarHBondContact O-N 3.06Å; A265-K269 WeakPolarHBondContact O-CB 3.44Å; A265-K269 VanDerWaalsContact O-CG 3.3Å; A265-K269 WeakPolarHBondContact O-CG 3.42Å
266	S	85.9	Confident	86.7	Confident	11 Å²	11	58.1 Å²	58.1	8%	0.077	31%	0.314	C	S	.	.	H	α-helix	trans	-76.8	-40.2	172.3	-53.3	0	0	0	0	110.7	S212 S263 Q264 K269 L270	S212-S266 PolarHBondContact OG-OG 2.83Å; S263-S266 VanDerWaalsContact CB-OG 3.28Å; S263-S266 WeakPolarHBondContact CB-OG 3.31Å; S263-S266 CarbonylContact O-C 3.51Å; S263-S266 WeakPolarHBondContact O-CA 3.29Å; S263-S266 WeakPolarHBondContact O-CB 3.27Å; S263-S266 PolarHBondContact O-N 2.93Å; S263-S266 PolarHBondContact OG-N 2.85Å; S263-S266 PolarHBondContact OG-OG 3.2Å; Q264-S266 VanDerWaalsContact C-N 3.31Å; Q264-S266 PolarHBondContact O-N 2.96Å; S266-K269 PolarHBondContact O-N 3.13Å; S266-L270 WeakPolarHBondContact O-CB 3.48Å; S266-L270 PolarHBondContact O-N 3.12Å
267	Y	85.4	Confident	86.9	Confident	19 Å²	19	55.8 Å²	55.8	8%	0.075	30%	0.303	C	S	.	.	H	α-helix	trans	-59.9	-52.2	178.5	-171.6	-91.3	0	0	0	112	F262 S263 Q264 K269 Y273 R274 I277 I304 L308	F262-Y267 AromaticContact CE2-CD2 3.7Å; F262-Y267 HydrophobicContact CE2-CD2 3.7Å; F262-Y267 HydrophobicContact CE2-CE2 4.37Å; F262-Y267 HydrophobicContact CE2-CG 4.08Å; F262-Y267 HydrophobicContact CZ-CD1 4.48Å; F262-Y267 AromaticContact CZ-CD2 3.91Å; F262-Y267 HydrophobicContact CZ-CD2 3.91Å; F262-Y267 AromaticContact CZ-CG 3.86Å; F262-Y267 HydrophobicContact CZ-CG 3.86Å; S263-Y267 PolarHBondContact O-N 2.95Å; Q264-Y267 WeakPolarHBondContact O-CB 3.28Å; Q264-Y267 PolarHBondContact O-N 3.14Å; Y267-K269 VanDerWaalsContact C-N 3.29Å; Y267-K269 PolarHBondContact O-N 3.21Å; Y267-Y273 HydrophobicContact CD2-CD1 4.37Å; Y267-R274 HydrophobicContact CD1-CG 4.29Å; Y267-R274 HydrophobicContact CD2-CB 4.41Å; Y267-R274 HydrophobicContact CD2-CG 3.97Å; Y267-R274 HydrophobicContact CE1-CG 4.19Å; Y267-R274 HydrophobicContact CE2-CB 4.11Å; Y267-R274 HydrophobicContact CE2-CG 3.88Å; Y267-R274 HydrophobicContact CG-CG 4.17Å; Y267-R274 VanDerWaalsContact O-CG 3.25Å; Y267-R274 WeakPolarHBondContact O-CG 3.48Å; Y267-R274 PolarHBondContact O-NH1 3.49Å; Y267-I277 HydrophobicContact CD2-CG1 4.4Å; Y267-I277 HydrophobicContact CE2-CB 4.48Å; Y267-I304 HydrophobicContact CE2-CD1 4.44Å; Y267-I304 VanDerWaalsContact OH-CG2 3.29Å; Y267-I304 WeakPolarHBondContact OH-CG2 3.2Å; Y267-L308 HydrophobicContact CE1-CD1 4.49Å; Y267-L308 HydrophobicContact CE2-CD1 4.25Å
268	T	81.7	Confident	86.9	Confident	82 Å²	82	58.4 Å²	58.4	50%	0.503	31%	0.311	S	S	.	.	H	α-helix	trans	-62.3	-33.1	177.4	-56.3	0	0	0	0	112.8	Q264 R274	Q264-T268 PolarHBondContact NE2-OG1 2.83Å; Q264-T268 PolarHBondContact O-N 2.73Å; Q264-T268 PolarHBondContact O-OG1 3.39Å; T268-R274 VanDerWaalsContact C-NH1 3.31Å; T268-R274 PolarHBondContact O-NH1 2.92Å
269	K	77.3	Confident	86.8	Confident	172 Å²	172	60.8 Å²	60.8	75%	0.748	32%	0.322	S	S	*	.	H	α-helix	trans	-96.6	-21.5	-172.3	-65.6	-178.5	-179.6	-176.6	0	116	A265 S266 Y267	A265-K269 WeakPolarHBondContact O-CB 3.44Å; A265-K269 VanDerWaalsContact O-CG 3.3Å; A265-K269 WeakPolarHBondContact O-CG 3.42Å; S266-K269 PolarHBondContact O-N 3.13Å; Y267-K269 VanDerWaalsContact C-N 3.29Å; Y267-K269 PolarHBondContact O-N 3.21Å
270	L	76.6	Confident	87	Confident	75 Å²	75	56.9 Å²	56.9	39%	0.393	30%	0.297	S	S	.	.			trans	-125.6	108.1	-172.2	-58.1	175.4	0	0	0	111.1	S266 S272 Y273 R274	S266-L270 WeakPolarHBondContact O-CB 3.48Å; S266-L270 PolarHBondContact O-N 3.12Å; L270-S272 PolarHBondContact O-N 3.18Å; L270-Y273 WeakPolarHBondContact O-CB 3.29Å; L270-Y273 PolarHBondContact O-N 2.96Å; L270-R274 PolarHBondContact O-N 3.16Å
271	A	82.2	Confident	87.1	Confident	73 Å²	73	50.3 Å²	50.3	60%	0.603	27%	0.268	S	S	*	.	H	α-helix	trans	-58.7	-33.2	174.4	0	0	0	0	0	112.6	Y273 R274 K275	A271-Y273 VanDerWaalsContact C-N 3.33Å; A271-Y273 PolarHBondContact O-N 3.25Å; A271-R274 PolarHBondContact O-N 2.72Å; A271-K275 PolarHBondContact O-N 3.02Å
272	S	82.8	Confident	86.8	Confident	61 Å²	61	51.3 Å²	51.3	43%	0.427	27%	0.273	S	S	.	.	H	α-helix	trans	-64.1	-34.5	172.6	51.3	0	0	0	0	113.1	L270 A276	L270-S272 PolarHBondContact O-N 3.18Å; S272-A276 WeakPolarHBondContact O-CB 3.22Å; S272-A276 PolarHBondContact O-N 3.23Å
273	Y	86.5	Confident	86.7	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-73.8	-42.9	175.1	-168.6	-101	0	0	0	111.3	W213 W214 F261 F262 S263 Y267 L270 A271 K275 A276 I277	W213-Y273 WeakPolarHBondContact O-CE2 3.37Å; W213-Y273 PolarHBondContact O-OH 2.78Å; W214-Y273 HydrophobicContact CD2-CD2 4.03Å; W214-Y273 HydrophobicContact CD2-CE2 4.48Å; W214-Y273 AromaticContact CE3-CD2 3.63Å; W214-Y273 HydrophobicContact CE3-CD2 3.63Å; W214-Y273 HydrophobicContact CE3-CE2 4.17Å; W214-Y273 AromaticContact CH2-CD2 3.95Å; W214-Y273 HydrophobicContact CH2-CD2 3.95Å; W214-Y273 HydrophobicContact CH2-CG 4.42Å; W214-Y273 HydrophobicContact CZ2-CD2 4.33Å; W214-Y273 AromaticContact CZ3-CD2 3.6Å; W214-Y273 HydrophobicContact CZ3-CD2 3.6Å; W214-Y273 HydrophobicContact CZ3-CG 4.35Å; F261-Y273 PolarHBondContact O-OH 2.69Å; F262-Y273 HydrophobicContact CD2-CE1 4.4Å; F262-Y273 HydrophobicContact CE2-CE1 4.41Å; S263-Y273 PolarHBondContact N-OH 2.85Å; Y267-Y273 HydrophobicContact CD2-CD1 4.37Å; L270-Y273 WeakPolarHBondContact O-CB 3.29Å; L270-Y273 PolarHBondContact O-N 2.96Å; A271-Y273 VanDerWaalsContact C-N 3.33Å; A271-Y273 PolarHBondContact O-N 3.25Å; Y273-K275 VanDerWaalsContact C-N 3.31Å; Y273-K275 PolarHBondContact O-N 2.78Å; Y273-A276 PolarHBondContact O-N 3.34Å; Y273-A276 VanDerWaalsContact O-N 3.14Å; Y273-I277 HydrophobicContact CD1-CG1 3.93Å; Y273-I277 HydrophobicContact CE1-CD1 4Å; Y273-I277 HydrophobicContact CE1-CG1 3.74Å; Y273-I277 HydrophobicContact CE2-CD1 4.45Å; Y273-I277 WeakPolarHBondContact O-CG1 3.34Å; Y273-I277 PolarHBondContact O-N 2.74Å
274	R	88.8	Confident	86.7	Confident	69 Å²	69	48.5 Å²	48.5	26%	0.26	26%	0.257	S	S	.	.	H	α-helix	trans	-50.8	-51.5	171	-69.4	178.9	162.8	96.6	-25.7	111.2	Y267 T268 L270 A271 A276 I277 F278 E301	Y267-R274 HydrophobicContact CD1-CG 4.29Å; Y267-R274 HydrophobicContact CD2-CB 4.41Å; Y267-R274 HydrophobicContact CD2-CG 3.97Å; Y267-R274 HydrophobicContact CE1-CG 4.19Å; Y267-R274 HydrophobicContact CE2-CB 4.11Å; Y267-R274 HydrophobicContact CE2-CG 3.88Å; Y267-R274 HydrophobicContact CG-CG 4.17Å; Y267-R274 VanDerWaalsContact O-CG 3.25Å; Y267-R274 WeakPolarHBondContact O-CG 3.48Å; Y267-R274 PolarHBondContact O-NH1 3.49Å; T268-R274 VanDerWaalsContact C-NH1 3.31Å; T268-R274 PolarHBondContact O-NH1 2.92Å; L270-R274 PolarHBondContact O-N 3.16Å; A271-R274 PolarHBondContact O-N 2.72Å; R274-A276 PolarHBondContact O-N 3.11Å; R274-I277 PolarHBondContact O-N 3.1Å; R274-F278 PolarHBondContact O-N 3.41Å; R274-E301 IonicContact CZ-OE1 2.76Å; R274-E301 IonicContact NE-OE1 3.74Å; R274-E301 PolarHBondContact NE-OE1 3.45Å; R274-E301 IonicContact NH2-OE1 3.36Å; R274-E301 PolarHBondContact NH2-OE1 3.38Å
275	K	86.1	Confident	86.8	Confident	110 Å²	110	43.8 Å²	43.8	48%	0.478	24%	0.236	S	C	.	.	H	α-helix	trans	-62.3	-40	178.3	-170.1	-171.2	173.2	-156.7	0	112.7	G240 A271 Y273 F278 Q279	G240-K275 WeakPolarHBondContact O-CD 3.28Å; G240-K275 WeakPolarHBondContact O-CE 3.37Å; G240-K275 PolarHBondContact O-NZ 3.36Å; A271-K275 PolarHBondContact O-N 3.02Å; Y273-K275 VanDerWaalsContact C-N 3.31Å; Y273-K275 PolarHBondContact O-N 2.78Å; K275-F278 PolarHBondContact O-N 2.68Å; K275-Q279 WeakPolarHBondContact O-CG 3.49Å; K275-Q279 PolarHBondContact O-N 3.09Å
276	A	90.5	Very high	87	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-63.8	-41.8	176.8	0	0	0	0	0	112.5	W214 P215 F239 S272 Y273 R274 A280	W214-A276 HydrophobicContact CZ2-CB 3.8Å; P215-A276 HydrophobicContact CG-CB 4.05Å; F239-A276 HydrophobicContact CB-CB 4.23Å; F239-A276 VanDerWaalsContact CB-O 3.3Å; F239-A276 WeakPolarHBondContact CB-O 3.48Å; F239-A276 WeakPolarHBondContact O-CB 3.36Å; S272-A276 WeakPolarHBondContact O-CB 3.22Å; S272-A276 PolarHBondContact O-N 3.23Å; Y273-A276 PolarHBondContact O-N 3.34Å; Y273-A276 VanDerWaalsContact O-N 3.14Å; R274-A276 PolarHBondContact O-N 3.11Å; A276-A280 VanDerWaalsContact O-CB 3.31Å; A276-A280 WeakPolarHBondContact O-CB 3.22Å; A276-A280 PolarHBondContact O-N 3.26Å; A276-A280 VanDerWaalsContact O-N 3.11Å
277	I	93	Very high	87.1	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-65.9	-45.6	175.3	-63.6	-64.2	0	0	0	110.7	W205 P215 F258 F262 Y267 Y273 R274 Q279 A280 V281 L308	W205-I277 HydrophobicContact CH2-CD1 3.5Å; W205-I277 VanDerWaalsContact CH2-CD1 3.5Å; W205-I277 HydrophobicContact CZ2-CD1 4.42Å; W205-I277 HydrophobicContact CZ3-CD1 4.07Å; P215-I277 HydrophobicContact CG-CD1 4.14Å; F258-I277 HydrophobicContact CE2-CD1 4.33Å; F258-I277 HydrophobicContact CE2-CG2 4.11Å; F258-I277 HydrophobicContact CZ-CD1 4.48Å; F258-I277 HydrophobicContact CZ-CG2 3.78Å; F262-I277 HydrophobicContact CD2-CD1 3.9Å; F262-I277 HydrophobicContact CD2-CG1 4.19Å; F262-I277 HydrophobicContact CD2-CG2 4.4Å; F262-I277 HydrophobicContact CE2-CD1 4.36Å; F262-I277 HydrophobicContact CE2-CG1 4.13Å; F262-I277 HydrophobicContact CE2-CG2 4.17Å; Y267-I277 HydrophobicContact CD2-CG1 4.4Å; Y267-I277 HydrophobicContact CE2-CB 4.48Å; Y273-I277 HydrophobicContact CD1-CG1 3.93Å; Y273-I277 HydrophobicContact CE1-CD1 4Å; Y273-I277 HydrophobicContact CE1-CG1 3.74Å; Y273-I277 HydrophobicContact CE2-CD1 4.45Å; Y273-I277 WeakPolarHBondContact O-CG1 3.34Å; Y273-I277 PolarHBondContact O-N 2.74Å; R274-I277 PolarHBondContact O-N 3.1Å; I277-Q279 PolarHBondContact O-N 2.85Å; I277-A280 PolarHBondContact O-N 2.87Å; I277-V281 HydrophobicContact CG2-CG2 4.28Å; I277-V281 WeakPolarHBondContact O-CG2 3.41Å; I277-V281 PolarHBondContact O-N 3.3Å; I277-L308 HydrophobicContact CG2-CD2 3.44Å; I277-L308 VanDerWaalsContact CG2-CD2 3.44Å
278	F	89.5	Confident	87.2	Confident	74 Å²	74	44.2 Å²	44.2	33%	0.325	23%	0.231	S	C	.	.	H	α-helix	trans	-53.5	-56.6	176.4	-178.4	-96.7	0	0	0	111.5	R274 K275 A280 V281 E282 I304 M307	R274-F278 PolarHBondContact O-N 3.41Å; K275-F278 PolarHBondContact O-N 2.68Å; F278-A280 VanDerWaalsContact C-N 3.29Å; F278-A280 PolarHBondContact O-N 3.28Å; F278-V281 PolarHBondContact O-N 2.98Å; F278-V281 VanDerWaalsContact O-N 3.16Å; F278-E282 HydrophobicContact CE1-CB 4.43Å; F278-E282 VanDerWaalsContact CE1-CD 3.48Å; F278-E282 HydrophobicContact CE1-CG 4.46Å; F278-E282 WeakPolarHBondContact CE1-OE1 3.36Å; F278-E282 WeakPolarHBondContact CE1-OE2 3.19Å; F278-E282 VanDerWaalsContact O-CB 3.22Å; F278-E282 WeakPolarHBondContact O-CB 3.34Å; F278-E282 PolarHBondContact O-N 2.91Å; F278-I304 HydrophobicContact CB-CD1 3.73Å; F278-I304 HydrophobicContact CD2-CB 4.44Å; F278-I304 HydrophobicContact CD2-CD1 3.74Å; F278-I304 HydrophobicContact CD2-CG1 3.95Å; F278-I304 HydrophobicContact CG-CD1 4.23Å; F278-M307 HydrophobicContact CD2-SD 4.31Å; F278-M307 HydrophobicContact CE2-CE 4.35Å; F278-M307 HydrophobicContact CE2-SD 3.88Å
279	Q	91	Very high	87.3	Confident	50 Å²	50	47.7 Å²	47.7	23%	0.234	24%	0.241	C	C	.	.	H	α-helix	trans	-63.4	-32.5	-177.9	-69.2	-176	-34.1	0	0	113.4	F239 K275 I277 M283 L343	F239-Q279 HydrophobicContact CB-CB 4.19Å; F239-Q279 HydrophobicContact CD1-CB 3.77Å; F239-Q279 HydrophobicContact CG-CB 4.3Å; K275-Q279 WeakPolarHBondContact O-CG 3.49Å; K275-Q279 PolarHBondContact O-N 3.09Å; I277-Q279 PolarHBondContact O-N 2.85Å; Q279-M283 VanDerWaalsContact O-CB 3.24Å; Q279-M283 WeakPolarHBondContact O-CB 3.37Å; Q279-M283 PolarHBondContact O-N 2.63Å; Q279-L343 HydrophobicContact CB-CD1 4.4Å
280	A	93.4	Very high	87.7	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-69.4	-41	175.8	0	0	0	0	0	112.2	P215 F239 L255 A276 I277 F278 A284	P215-A280 HydrophobicContact CB-CB 3.65Å; P215-A280 HydrophobicContact CG-CB 3.95Å; F239-A280 HydrophobicContact CB-CB 4.47Å; F239-A280 HydrophobicContact CD2-CB 3.61Å; F239-A280 HydrophobicContact CE2-CB 3.98Å; F239-A280 HydrophobicContact CG-CB 4.05Å; L255-A280 HydrophobicContact CD1-CB 4.5Å; A276-A280 VanDerWaalsContact O-CB 3.31Å; A276-A280 WeakPolarHBondContact O-CB 3.22Å; A276-A280 PolarHBondContact O-N 3.26Å; A276-A280 VanDerWaalsContact O-N 3.11Å; I277-A280 PolarHBondContact O-N 2.87Å; F278-A280 VanDerWaalsContact C-N 3.29Å; F278-A280 PolarHBondContact O-N 3.28Å; A280-A284 WeakPolarHBondContact O-CB 3.19Å; A280-A284 PolarHBondContact O-N 3.34Å
281	V	91.3	Very high	87.9	Confident	2 Å²	2	45.6 Å²	45.6	1%	0.012	24%	0.239	C	C	.	.	H	α-helix	trans	-78.8	-29.8	179.4	-176.9	0	0	0	0	111.8	F258 I277 F278 A284 S285 M307 W310 A311	F258-V281 HydrophobicContact CD2-CG2 4.48Å; F258-V281 HydrophobicContact CE2-CG2 3.64Å; F258-V281 HydrophobicContact CZ-CG2 4.09Å; I277-V281 HydrophobicContact CG2-CG2 4.28Å; I277-V281 WeakPolarHBondContact O-CG2 3.41Å; I277-V281 PolarHBondContact O-N 3.3Å; F278-V281 PolarHBondContact O-N 2.98Å; F278-V281 VanDerWaalsContact O-N 3.16Å; V281-A284 WeakPolarHBondContact O-CB 3.49Å; V281-A284 PolarHBondContact O-N 3.21Å; V281-S285 WeakPolarHBondContact O-CB 3.49Å; V281-S285 PolarHBondContact O-N 3.43Å; V281-S285 PolarHBondContact O-OG 3.41Å; V281-M307 HydrophobicContact CG1-CB 3.82Å; V281-M307 HydrophobicContact CG1-CE 4.24Å; V281-M307 WeakPolarHBondContact CG1-O 3.42Å; V281-W310 HydrophobicContact CG1-CE3 3.92Å; V281-W310 HydrophobicContact CG1-CZ3 4.05Å; V281-A311 HydrophobicContact CG1-CB 4.19Å; V281-A311 HydrophobicContact CG2-CB 3.93Å
282	E	88.4	Confident	87.8	Confident	39 Å²	39	44.8 Å²	44.8	18%	0.182	22%	0.222	C	C	.	.	H	α-helix	trans	-65.4	-47.3	170	-179.3	179.8	-130.8	0	0	111.5	F278 A284 S285 V286 M307 L343	F278-E282 HydrophobicContact CE1-CB 4.43Å; F278-E282 VanDerWaalsContact CE1-CD 3.48Å; F278-E282 HydrophobicContact CE1-CG 4.46Å; F278-E282 WeakPolarHBondContact CE1-OE1 3.36Å; F278-E282 WeakPolarHBondContact CE1-OE2 3.19Å; F278-E282 VanDerWaalsContact O-CB 3.22Å; F278-E282 WeakPolarHBondContact O-CB 3.34Å; F278-E282 PolarHBondContact O-N 2.91Å; E282-A284 VanDerWaalsContact C-N 3.27Å; E282-A284 PolarHBondContact O-N 2.96Å; E282-S285 PolarHBondContact O-N 3.18Å; E282-S285 PolarHBondContact O-OG 2.77Å; E282-V286 WeakPolarHBondContact O-CB 3.46Å; E282-V286 VanDerWaalsContact O-CG2 3.25Å; E282-V286 WeakPolarHBondContact O-CG2 3.11Å; E282-V286 PolarHBondContact O-N 3.03Å; E282-M307 HydrophobicContact CB-CE 4.26Å; E282-L343 HydrophobicContact CG-CD2 3.88Å; E282-L343 WeakPolarHBondContact OE2-CD2 3.39Å
283	M	88.8	Confident	87.4	Confident	9 Å²	9	47.4 Å²	47.4	4%	0.044	24%	0.238	C	C	.	.	H	α-helix	trans	-58.5	-40	170.6	177.3	70.3	78	0	0	111.7	L203 F239 Q279 R287 V341 L343	L203-M283 HydrophobicContact CD1-CG 3.94Å; L203-M283 HydrophobicContact CD2-CG 3.64Å; L203-M283 HydrophobicContact CG-CG 4.44Å; F239-M283 HydrophobicContact CE1-CB 4.21Å; F239-M283 HydrophobicContact CE1-CE 4.19Å; F239-M283 HydrophobicContact CE1-CG 4.45Å; F239-M283 HydrophobicContact CZ-CB 4.11Å; F239-M283 HydrophobicContact CZ-CE 4.37Å; F239-M283 HydrophobicContact CZ-CG 4.06Å; Q279-M283 VanDerWaalsContact O-CB 3.24Å; Q279-M283 WeakPolarHBondContact O-CB 3.37Å; Q279-M283 PolarHBondContact O-N 2.63Å; M283-R287 WeakPolarHBondContact O-CG 3.32Å; M283-R287 PolarHBondContact O-N 3.36Å; M283-V341 HydrophobicContact CE-CG1 3.46Å; M283-V341 VanDerWaalsContact CE-CG1 3.46Å; M283-V341 HydrophobicContact SD-CG1 3.76Å; M283-L343 HydrophobicContact CB-CD1 4.45Å; M283-L343 HydrophobicContact CB-CG 4.27Å; M283-L343 HydrophobicContact CE-CB 3.69Å; M283-L343 HydrophobicContact CE-CD1 3.86Å; M283-L343 HydrophobicContact CE-CG 3.6Å; M283-L343 HydrophobicContact SD-CG 4.35Å
284	A	90.9	Very high	86	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-67.1	-45.6	176.3	0	0	0	0	0	112.4	L203 L255 A280 V281 E282 V286 R287 A288 W310 F315 L323	L203-A284 HydrophobicContact CD1-CB 4.27Å; L255-A284 HydrophobicContact CD2-CB 4.18Å; A280-A284 WeakPolarHBondContact O-CB 3.19Å; A280-A284 PolarHBondContact O-N 3.34Å; V281-A284 WeakPolarHBondContact O-CB 3.49Å; V281-A284 PolarHBondContact O-N 3.21Å; E282-A284 VanDerWaalsContact C-N 3.27Å; E282-A284 PolarHBondContact O-N 2.96Å; A284-V286 VanDerWaalsContact C-N 3.26Å; A284-V286 PolarHBondContact O-N 2.99Å; A284-R287 PolarHBondContact O-N 2.78Å; A284-A288 VanDerWaalsContact O-CB 3.29Å; A284-A288 WeakPolarHBondContact O-CB 3.47Å; A284-A288 PolarHBondContact O-N 3Å; A284-W310 HydrophobicContact CB-CH2 4.23Å; A284-W310 HydrophobicContact CB-CZ3 4.11Å; A284-F315 HydrophobicContact CB-CD1 3.94Å; A284-F315 HydrophobicContact CB-CE1 3.71Å; A284-L323 HydrophobicContact CB-CD2 3.52Å
285	S	89.1	Confident	84.4	Confident	11 Å²	11	53 Å²	53	8%	0.077	29%	0.285	C	S	.	.	H	α-helix	trans	-64.4	-35	-178.5	65.5	0	0	0	0	111.6	V281 E282 A288 E289 K290 W310	V281-S285 WeakPolarHBondContact O-CB 3.49Å; V281-S285 PolarHBondContact O-N 3.43Å; V281-S285 PolarHBondContact O-OG 3.41Å; E282-S285 PolarHBondContact O-N 3.18Å; E282-S285 PolarHBondContact O-OG 2.77Å; S285-A288 CarbonylContact O-C 3.46Å; S285-A288 PolarHBondContact O-N 3.46Å; S285-E289 CarbonylContact O-C 3.58Å; S285-E289 PolarHBondContact O-N 3.34Å; S285-K290 PolarHBondContact O-N 2.9Å; S285-W310 VanDerWaalsContact CA-CH2 3.43Å
286	V	87.3	Confident	82.8	Confident	60 Å²	60	57.5 Å²	57.5	36%	0.364	31%	0.307	S	S	.	.	H	α-helix	trans	-63.2	-51.5	174.1	162.5	0	0	0	0	112.1	E282 A284 A288 E289 P344	E282-V286 WeakPolarHBondContact O-CB 3.46Å; E282-V286 VanDerWaalsContact O-CG2 3.25Å; E282-V286 WeakPolarHBondContact O-CG2 3.11Å; E282-V286 PolarHBondContact O-N 3.03Å; A284-V286 VanDerWaalsContact C-N 3.26Å; A284-V286 PolarHBondContact O-N 2.99Å; V286-A288 PolarHBondContact O-N 3.49Å; V286-E289 PolarHBondContact O-N 2.89Å; V286-P344 HydrophobicContact CB-CG 3.99Å; V286-P344 HydrophobicContact CG1-CG 3.37Å; V286-P344 HydrophobicContact CG2-CB 4.2Å; V286-P344 HydrophobicContact CG2-CG 3.49Å; V286-P344 VanDerWaalsContact CG2-CG 3.49Å
287	R	88.5	Confident	80.9	Confident	33 Å²	33	60.7 Å²	60.7	13%	0.125	33%	0.327	C	S	.	.	H	α-helix	trans	-63.8	-34.3	177.8	-65.7	176.9	-173	-154.9	-2.3	111.9	G201 I217 M283 A284 E289 G322 L323	G201-R287 VanDerWaalsContact O-CZ 3.28Å; G201-R287 PolarHBondContact O-NH1 3.44Å; G201-R287 PolarHBondContact O-NH2 3.32Å; I217-R287 VanDerWaalsContact CD1-NH2 3.31Å; M283-R287 WeakPolarHBondContact O-CG 3.32Å; M283-R287 PolarHBondContact O-N 3.36Å; A284-R287 PolarHBondContact O-N 2.78Å; R287-E289 PolarHBondContact O-N 2.93Å; R287-G322 CarbonylContact C-O 3.58Å; R287-G322 WeakPolarHBondContact CB-O 3.45Å; R287-L323 WeakPolarHBondContact CD-O 3.38Å; R287-L323 PolarHBondContact NH1-O 3.12Å
288	A	86.9	Confident	79	Confident	9 Å²	9	68.8 Å²	68.8	7%	0.074	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-8.4	175.7	0	0	0	0	0	113.7	A284 S285 V286 K290 W310 K318 G322	A284-A288 VanDerWaalsContact O-CB 3.29Å; A284-A288 WeakPolarHBondContact O-CB 3.47Å; A284-A288 PolarHBondContact O-N 3Å; S285-A288 CarbonylContact O-C 3.46Å; S285-A288 PolarHBondContact O-N 3.46Å; V286-A288 PolarHBondContact O-N 3.49Å; A288-K290 HydrophobicContact CB-CB 4.12Å; A288-K290 PolarHBondContact O-N 2.87Å; A288-W310 HydrophobicContact CB-CH2 3.71Å; A288-W310 HydrophobicContact CB-CZ2 3.63Å; A288-K318 VanDerWaalsContact O-CD 3.29Å; A288-K318 WeakPolarHBondContact O-CD 3.31Å; A288-K318 WeakPolarHBondContact O-CE 3.4Å; A288-K318 PolarHBondContact O-NZ 2.95Å; A288-G322 PolarHBondContact N-O 3.41Å; A288-G322 VanDerWaalsContact N-O 3.12Å
289	E	84.9	Confident	77.4	Confident	155 Å²	155	68.5 Å²	68.5	72%	0.724	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	29.8	-168.4	-62.5	162.1	-176.5	0	0	113	S285 V286 R287 K318	S285-E289 CarbonylContact O-C 3.58Å; S285-E289 PolarHBondContact O-N 3.34Å; V286-E289 PolarHBondContact O-N 2.89Å; R287-E289 PolarHBondContact O-N 2.93Å; E289-K318 IonicContact OE1-NZ 2.65Å; E289-K318 IonicContact OE2-NZ 3.76Å; E289-K318 PolarHBondContact OE2-NZ 3.07Å
290	K	84.9	Confident	75.9	Confident	78 Å²	78	70.5 Å²	70.5	34%	0.339	39%	0.389	S	S	.	.			trans	-85.4	111.5	-179.1	177.7	65.8	178	176.9	0	110.3	S285 A288 F292 W310	S285-K290 PolarHBondContact O-N 2.9Å; A288-K290 HydrophobicContact CB-CB 4.12Å; A288-K290 PolarHBondContact O-N 2.87Å; K290-F292 HydrophobicContact CG-CD2 4.49Å; K290-F292 HydrophobicContact CG-CE1 4.42Å; K290-F292 HydrophobicContact CG-CE2 3.79Å; K290-F292 HydrophobicContact CG-CZ 3.74Å; K290-W310 HydrophobicContact CB-CH2 4.1Å; K290-W310 HydrophobicContact CB-CZ2 3.81Å; K290-W310 HydrophobicContact CG-CD2 4.04Å; K290-W310 HydrophobicContact CG-CE3 4.46Å; K290-W310 HydrophobicContact CG-CH2 4.35Å; K290-W310 HydrophobicContact CG-CZ2 3.91Å
291	T	80.9	Confident	74.4	Confident	124 Å²	124	74.8 Å²	74.8	76%	0.761	41%	0.409	S	S	*	.			trans	-88.2	154.4	167.8	53.3	0	0	0	0	111.6
292	F	81.5	Confident	73.1	Confident	56 Å²	56	78.6 Å²	78.6	25%	0.246	43%	0.429	C	S	.	.			trans	-124.8	149.4	172.1	-65	-85.6	0	0	0	109.2	K290 P306 M307 W310	K290-F292 HydrophobicContact CG-CD2 4.49Å; K290-F292 HydrophobicContact CG-CE1 4.42Å; K290-F292 HydrophobicContact CG-CE2 3.79Å; K290-F292 HydrophobicContact CG-CZ 3.74Å; F292-P306 HydrophobicContact CD1-CB 4.15Å; F292-P306 HydrophobicContact CD1-CG 4.47Å; F292-P306 HydrophobicContact CE1-CB 4.43Å; F292-P306 WeakPolarHBondContact CE1-O 3.32Å; F292-M307 HydrophobicContact CD1-CG 4.29Å; F292-M307 HydrophobicContact CD2-CG 3.94Å; F292-M307 HydrophobicContact CE1-CG 4.18Å; F292-M307 HydrophobicContact CE2-CB 4.41Å; F292-M307 HydrophobicContact CE2-CE 4.34Å; F292-M307 HydrophobicContact CE2-CG 3.82Å; F292-M307 HydrophobicContact CG-CG 4.18Å; F292-M307 HydrophobicContact CZ-CB 4.18Å; F292-M307 HydrophobicContact CZ-CG 3.94Å; F292-W310 HydrophobicContact CE1-CB 4.02Å; F292-W310 HydrophobicContact CE1-CG 4.37Å; F292-W310 HydrophobicContact CE2-CE3 4.3Å; F292-W310 HydrophobicContact CZ-CB 3.95Å; F292-W310 AromaticContact CZ-CD2 3.87Å; F292-W310 HydrophobicContact CZ-CD2 3.87Å; F292-W310 AromaticContact CZ-CE3 3.73Å; F292-W310 HydrophobicContact CZ-CE3 3.73Å; F292-W310 AromaticContact CZ-CG 3.97Å; F292-W310 HydrophobicContact CZ-CG 3.97Å
293	P	72.7	Confident	72	Confident	116 Å²	116	81.1 Å²	81.1	75%	0.753	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-64.5	140.2	175.6	-18.8	32.1	0	0	0	111.2
294	P	58.1	Low	71.5	Confident	124 Å²	124	81.3 Å²	81.3	81%	0.805	44%	0.442	S	S	*	.	P	Polyproline II helix	trans	-64.3	138.9	167.4	29.1	-33.6	0	0	0	109.6
295	C	55.4	Low	71.2	Confident	64 Å²	64	87.4 Å²	87.4	43%	0.432	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-97.5	141.3	176.7	-160	0	0	0	0	110	T297 Q303	C295-T297 PolarHBondContact O-N 3.31Å; C295-T297 PolarHBondContact SG-OG1 3.35Å; C295-Q303 HydrophobicContact CB-CG 3.9Å
296	E	51.4	Low	70.9	Confident	203 Å²	203	89.6 Å²	89.6	95%	0.949	48%	0.483	S	S	*	.	S	Bend	trans	-83.4	10.6	-178.2	-59.2	-171.4	149.1	0	0	113.6
297	T	51.9	Low	71	Confident	67 Å²	67	87.6 Å²	87.6	41%	0.411	47%	0.469	S	S	.	.	S	Bend	trans	-114.1	138.4	177.9	57.2	0	0	0	0	112.7	C295 N299 Q303	C295-T297 PolarHBondContact O-N 3.31Å; C295-T297 PolarHBondContact SG-OG1 3.35Å; T297-N299 PolarHBondContact O-N 3.21Å; T297-Q303 PolarHBondContact O-NE2 2.94Å; T297-Q303 VanDerWaalsContact O-NE2 3.1Å
298	D	52.6	Low	71	Confident	170 Å²	170	87 Å²	87	91%	0.909	47%	0.469	S	S	*	.	S	Bend	trans	-69.9	7.5	176.6	-71.9	-45.9	0	0	0	114.2	P300	D298-P300 VanDerWaalsContact O-CD 3.3Å; D298-P300 WeakPolarHBondContact O-CD 3.32Å
299	N	56.2	Low	71	Confident	68 Å²	68	91.2 Å²	91.2	36%	0.364	49%	0.49	S	S	.	.			trans	-89.6	110.7	-179.6	-176.5	17.6	0	0	0	111.6	T297 E301 D302	T297-N299 PolarHBondContact O-N 3.21Å; N299-E301 PolarHBondContact O-N 3.21Å; N299-E301 PolarHBondContact OD1-N 3.1Å; N299-D302 WeakPolarHBondContact CB-OD2 3.27Å; N299-D302 PolarHBondContact ND2-OD2 2.78Å; N299-D302 PolarHBondContact O-N 3.2Å
300	P	58.7	Low	71.4	Confident	92 Å²	92	85 Å²	85	60%	0.597	46%	0.46	S	S	*	.	H	α-helix	trans	-68.3	-18.4	-178.2	28.3	-36	0	0	0	114	D298 I304	D298-P300 VanDerWaalsContact O-CD 3.3Å; D298-P300 WeakPolarHBondContact O-CD 3.32Å; P300-I304 PolarHBondContact O-N 2.68Å
301	E	62.8	Low	71.6	Confident	91 Å²	91	81.2 Å²	81.2	43%	0.425	44%	0.444	S	S	.	.	H	α-helix	trans	-75.7	-22.6	176.1	-65.1	-155	147.2	0	0	113.3	R274 N299 I304	R274-E301 IonicContact CZ-OE1 2.76Å; R274-E301 IonicContact NE-OE1 3.74Å; R274-E301 PolarHBondContact NE-OE1 3.45Å; R274-E301 IonicContact NH2-OE1 3.36Å; R274-E301 PolarHBondContact NH2-OE1 3.38Å; N299-E301 PolarHBondContact O-N 3.21Å; N299-E301 PolarHBondContact OD1-N 3.1Å; E301-I304 WeakPolarHBondContact O-CG2 3.47Å
302	D	63.8	Low	72	Confident	81 Å²	81	78.4 Å²	78.4	43%	0.433	42%	0.424	S	S	.	.	H	α-helix	trans	-79.6	-34.8	174.8	-69.9	-49.5	0	0	0	112	N299 P306	N299-D302 WeakPolarHBondContact CB-OD2 3.27Å; N299-D302 PolarHBondContact ND2-OD2 2.78Å; N299-D302 PolarHBondContact O-N 3.2Å; D302-P306 WeakPolarHBondContact O-CD 3.44Å
303	Q	65.4	Low	72.2	Confident	93 Å²	93	78 Å²	78	44%	0.435	44%	0.436	S	S	.	.	H	α-helix	trans	-68	-36.4	179.9	-62.3	-177.8	13.1	0	0	112.9	C295 T297 P306	C295-Q303 HydrophobicContact CB-CG 3.9Å; T297-Q303 PolarHBondContact O-NE2 2.94Å; T297-Q303 VanDerWaalsContact O-NE2 3.1Å; Q303-P306 WeakPolarHBondContact O-CD 3.34Å
304	I	78.4	Confident	72.9	Confident	12 Å²	12	73.2 Å²	73.2	6%	0.062	41%	0.407	C	S	.	.	H	α-helix	trans	-78.9	-22.8	-178.2	-165.8	173.4	0	0	0	113.4	Y267 F278 P300 E301 M307 L308	Y267-I304 HydrophobicContact CE2-CD1 4.44Å; Y267-I304 VanDerWaalsContact OH-CG2 3.29Å; Y267-I304 WeakPolarHBondContact OH-CG2 3.2Å; F278-I304 HydrophobicContact CB-CD1 3.73Å; F278-I304 HydrophobicContact CD2-CB 4.44Å; F278-I304 HydrophobicContact CD2-CD1 3.74Å; F278-I304 HydrophobicContact CD2-CG1 3.95Å; F278-I304 HydrophobicContact CG-CD1 4.23Å; P300-I304 PolarHBondContact O-N 2.68Å; E301-I304 WeakPolarHBondContact O-CG2 3.47Å; I304-M307 WeakPolarHBondContact O-CA 3.39Å; I304-M307 VanDerWaalsContact O-CB 3.3Å; I304-M307 WeakPolarHBondContact O-CB 3.27Å; I304-M307 PolarHBondContact O-N 3.18Å; I304-L308 HydrophobicContact CG1-CD1 4.5Å; I304-L308 HydrophobicContact CG1-CG 4.2Å; I304-L308 PolarHBondContact O-N 3.01Å
305	K	82.9	Confident	74.5	Confident	128 Å²	128	67.3 Å²	67.3	56%	0.557	37%	0.369	S	S	*	.	H	α-helix	trans	-52.3	-53.6	-177.9	-174.8	177.7	177.9	-177	0	114.3	M307 L308 D309	K305-M307 PolarHBondContact O-N 3.27Å; K305-L308 WeakPolarHBondContact O-CB 3.35Å; K305-L308 PolarHBondContact O-N 2.92Å; K305-L308 VanDerWaalsContact O-N 3.07Å; K305-D309 PolarHBondContact O-N 3.41Å
306	P	84.4	Confident	75.9	Confident	57 Å²	57	69.7 Å²	69.7	37%	0.37	37%	0.374	S	S	.	.	H	α-helix	trans	-63.5	-24.4	177.3	26	-36.3	0	0	0	113.6	F292 D302 Q303 W310	F292-P306 HydrophobicContact CD1-CB 4.15Å; F292-P306 HydrophobicContact CD1-CG 4.47Å; F292-P306 HydrophobicContact CE1-CB 4.43Å; F292-P306 WeakPolarHBondContact CE1-O 3.32Å; D302-P306 WeakPolarHBondContact O-CD 3.44Å; Q303-P306 WeakPolarHBondContact O-CD 3.34Å; P306-W310 VanDerWaalsContact O-CB 3.32Å; P306-W310 WeakPolarHBondContact O-CB 3.35Å; P306-W310 PolarHBondContact O-N 3.07Å; P306-W310 VanDerWaalsContact O-N 3.07Å
307	M	88	Confident	77.3	Confident	18 Å²	18	65.2 Å²	65.2	9%	0.089	36%	0.362	C	S	.	.	H	α-helix	trans	-72.3	-40.2	173.7	-52.8	179.2	69.9	0	0	111.2	F278 V281 E282 F292 I304 K305 W310 A311	F278-M307 HydrophobicContact CD2-SD 4.31Å; F278-M307 HydrophobicContact CE2-CE 4.35Å; F278-M307 HydrophobicContact CE2-SD 3.88Å; V281-M307 HydrophobicContact CG1-CB 3.82Å; V281-M307 HydrophobicContact CG1-CE 4.24Å; V281-M307 WeakPolarHBondContact CG1-O 3.42Å; E282-M307 HydrophobicContact CB-CE 4.26Å; F292-M307 HydrophobicContact CD1-CG 4.29Å; F292-M307 HydrophobicContact CD2-CG 3.94Å; F292-M307 HydrophobicContact CE1-CG 4.18Å; F292-M307 HydrophobicContact CE2-CB 4.41Å; F292-M307 HydrophobicContact CE2-CE 4.34Å; F292-M307 HydrophobicContact CE2-CG 3.82Å; F292-M307 HydrophobicContact CG-CG 4.18Å; F292-M307 HydrophobicContact CZ-CB 4.18Å; F292-M307 HydrophobicContact CZ-CG 3.94Å; I304-M307 WeakPolarHBondContact O-CA 3.39Å; I304-M307 VanDerWaalsContact O-CB 3.3Å; I304-M307 WeakPolarHBondContact O-CB 3.27Å; I304-M307 PolarHBondContact O-N 3.18Å; K305-M307 PolarHBondContact O-N 3.27Å; M307-W310 PolarHBondContact O-N 2.85Å; M307-A311 WeakPolarHBondContact O-CB 3.28Å; M307-A311 PolarHBondContact O-N 2.89Å
308	L	88.9	Confident	78.8	Confident	21 Å²	21	65.9 Å²	65.9	11%	0.11	36%	0.36	C	S	.	.	H	α-helix	trans	-66.3	-41.8	174	-63.4	174.4	0	0	0	111.7	F258 F262 Y267 I277 I304 K305 W310 A311 N312	F258-L308 HydrophobicContact CE1-CD2 4.42Å; F258-L308 HydrophobicContact CZ-CD2 3.95Å; F262-L308 HydrophobicContact CE2-CD2 4.21Å; Y267-L308 HydrophobicContact CE1-CD1 4.49Å; Y267-L308 HydrophobicContact CE2-CD1 4.25Å; I277-L308 HydrophobicContact CG2-CD2 3.44Å; I277-L308 VanDerWaalsContact CG2-CD2 3.44Å; I304-L308 HydrophobicContact CG1-CD1 4.5Å; I304-L308 HydrophobicContact CG1-CG 4.2Å; I304-L308 PolarHBondContact O-N 3.01Å; K305-L308 WeakPolarHBondContact O-CB 3.35Å; K305-L308 PolarHBondContact O-N 2.92Å; K305-L308 VanDerWaalsContact O-N 3.07Å; L308-W310 VanDerWaalsContact C-N 3.3Å; L308-W310 PolarHBondContact O-N 2.59Å; L308-A311 PolarHBondContact O-N 3.1Å; L308-N312 WeakPolarHBondContact O-CB 3.39Å; L308-N312 PolarHBondContact O-N 3.05Å; L308-N312 PolarHBondContact O-ND2 2.93Å
309	D	88.1	Confident	80.3	Confident	98 Å²	98	58.1 Å²	58.1	52%	0.524	32%	0.32	S	S	.	.	H	α-helix	trans	-63.8	-38.8	177	-65.9	-29.3	0	0	0	110.8	K305 G313	K305-D309 PolarHBondContact O-N 3.41Å; D309-G313 PolarHBondContact O-N 3.16Å
310	W	91.8	Very high	81.6	Confident	23 Å²	23	59.9 Å²	59.9	9%	0.087	33%	0.326	C	S	.	.	H	α-helix	trans	-65	-42.2	173.2	176.8	63	0	0	0	113.7	V281 A284 S285 A288 K290 F292 P306 M307 L308 G313 G314 F315 Q316	V281-W310 HydrophobicContact CG1-CE3 3.92Å; V281-W310 HydrophobicContact CG1-CZ3 4.05Å; A284-W310 HydrophobicContact CB-CH2 4.23Å; A284-W310 HydrophobicContact CB-CZ3 4.11Å; S285-W310 VanDerWaalsContact CA-CH2 3.43Å; A288-W310 HydrophobicContact CB-CH2 3.71Å; A288-W310 HydrophobicContact CB-CZ2 3.63Å; K290-W310 HydrophobicContact CB-CH2 4.1Å; K290-W310 HydrophobicContact CB-CZ2 3.81Å; K290-W310 HydrophobicContact CG-CD2 4.04Å; K290-W310 HydrophobicContact CG-CE3 4.46Å; K290-W310 HydrophobicContact CG-CH2 4.35Å; K290-W310 HydrophobicContact CG-CZ2 3.91Å; F292-W310 HydrophobicContact CE1-CB 4.02Å; F292-W310 HydrophobicContact CE1-CG 4.37Å; F292-W310 HydrophobicContact CE2-CE3 4.3Å; F292-W310 HydrophobicContact CZ-CB 3.95Å; F292-W310 AromaticContact CZ-CD2 3.87Å; F292-W310 HydrophobicContact CZ-CD2 3.87Å; F292-W310 AromaticContact CZ-CE3 3.73Å; F292-W310 HydrophobicContact CZ-CE3 3.73Å; F292-W310 AromaticContact CZ-CG 3.97Å; F292-W310 HydrophobicContact CZ-CG 3.97Å; P306-W310 VanDerWaalsContact O-CB 3.32Å; P306-W310 WeakPolarHBondContact O-CB 3.35Å; P306-W310 PolarHBondContact O-N 3.07Å; P306-W310 VanDerWaalsContact O-N 3.07Å; M307-W310 PolarHBondContact O-N 2.85Å; L308-W310 VanDerWaalsContact C-N 3.3Å; L308-W310 PolarHBondContact O-N 2.59Å; W310-G313 CarbonylContact O-C 3.52Å; W310-G313 PolarHBondContact O-N 3.1Å; W310-G314 PolarHBondContact O-N 2.94Å; W310-F315 HydrophobicContact CD2-CD1 4.4Å; W310-F315 AromaticContact CE3-CD1 3.99Å; W310-F315 HydrophobicContact CE3-CD1 3.99Å; W310-F315 HydrophobicContact CE3-CE1 4.48Å; W310-F315 HydrophobicContact CH2-CB 4.26Å; W310-F315 AromaticContact CH2-CD1 3.61Å; W310-F315 HydrophobicContact CH2-CD1 3.61Å; W310-F315 HydrophobicContact CH2-CG 4.43Å; W310-F315 HydrophobicContact CZ2-CB 3.89Å; W310-F315 HydrophobicContact CZ2-CD1 4.04Å; W310-F315 HydrophobicContact CZ2-CG 4.48Å; W310-F315 AromaticContact CZ3-CD1 3.6Å; W310-F315 HydrophobicContact CZ3-CD1 3.6Å; W310-F315 HydrophobicContact CZ3-CE1 4.14Å; W310-F315 PolarHBondContact O-N 2.71Å; W310-Q316 PolarHBondContact NE1-O 2.84Å
311	A	90.6	Very high	82.7	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-67.9	-40.9	176.7	0	0	0	0	0	112.1	F258 V281 M307 L308 G313 G314 F315	F258-A311 HydrophobicContact CD1-CB 3.78Å; F258-A311 HydrophobicContact CD2-CB 3.84Å; F258-A311 HydrophobicContact CE1-CB 3.8Å; F258-A311 HydrophobicContact CE2-CB 3.87Å; F258-A311 HydrophobicContact CG-CB 3.8Å; F258-A311 HydrophobicContact CZ-CB 3.84Å; V281-A311 HydrophobicContact CG1-CB 4.19Å; V281-A311 HydrophobicContact CG2-CB 3.93Å; M307-A311 WeakPolarHBondContact O-CB 3.28Å; M307-A311 PolarHBondContact O-N 2.89Å; L308-A311 PolarHBondContact O-N 3.1Å; A311-G313 VanDerWaalsContact C-N 3.3Å; A311-G313 PolarHBondContact O-N 2.75Å; A311-G314 PolarHBondContact O-N 2.8Å; A311-G314 VanDerWaalsContact O-N 3.13Å; A311-F315 HydrophobicContact CB-CD1 4.43Å; A311-F315 HydrophobicContact CB-CE1 3.68Å; A311-F315 HydrophobicContact CB-CE2 4.44Å; A311-F315 HydrophobicContact CB-CZ 3.69Å
312	N	88.5	Confident	83.5	Confident	64 Å²	64	57.4 Å²	57.4	34%	0.342	31%	0.307	S	S	.	.	H	α-helix	trans	-66.1	-33.2	172.7	-76.4	-63	0	0	0	112.2	P259 L308 G314	P259-N312 WeakPolarHBondContact CG-O 3.33Å; L308-N312 WeakPolarHBondContact O-CB 3.39Å; L308-N312 PolarHBondContact O-N 3.05Å; L308-N312 PolarHBondContact O-ND2 2.93Å; N312-G314 PolarHBondContact O-N 3.38Å
313	G	86.1	Confident	84.6	Confident	48 Å²	48	54 Å²	54	50%	0.495	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	9.7	170.4	0	0	0	0	0	115.2	D309 W310 A311 Q316	D309-G313 PolarHBondContact O-N 3.16Å; W310-G313 CarbonylContact O-C 3.52Å; W310-G313 PolarHBondContact O-N 3.1Å; A311-G313 VanDerWaalsContact C-N 3.3Å; A311-G313 PolarHBondContact O-N 2.75Å; G313-Q316 WeakPolarHBondContact O-CG 3.32Å
314	G	87.1	Confident	85.4	Confident	15 Å²	15	54.2 Å²	54.2	16%	0.155	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.2	33.7	174.5	0	0	0	0	0	114.4	M256 W310 A311 N312 Q316	M256-G314 WeakPolarHBondContact CE-O 3.22Å; W310-G314 PolarHBondContact O-N 2.94Å; A311-G314 PolarHBondContact O-N 2.8Å; A311-G314 VanDerWaalsContact O-N 3.13Å; N312-G314 PolarHBondContact O-N 3.38Å; G314-Q316 PolarHBondContact O-N 3.28Å; G314-Q316 VanDerWaalsContact O-N 3.16Å
315	F	90.9	Very high	85.5	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.3	26.8	170.4	-53.5	-87.6	0	0	0	115	L255 M256 F258 A284 W310 A311 G319 L323	L255-F315 HydrophobicContact CD2-CE1 4.46Å; L255-F315 HydrophobicContact CD2-CZ 4.14Å; L255-F315 HydrophobicContact CG-CZ 4.03Å; M256-F315 HydrophobicContact SD-CB 4.36Å; M256-F315 HydrophobicContact SD-CD2 3.66Å; M256-F315 HydrophobicContact SD-CE2 4.44Å; M256-F315 HydrophobicContact SD-CG 4.37Å; F258-F315 HydrophobicContact CB-CE2 4.02Å; F258-F315 HydrophobicContact CB-CZ 4.16Å; F258-F315 HydrophobicContact CD2-CZ 4.05Å; F258-F315 HydrophobicContact CG-CZ 4.35Å; A284-F315 HydrophobicContact CB-CD1 3.94Å; A284-F315 HydrophobicContact CB-CE1 3.71Å; W310-F315 HydrophobicContact CD2-CD1 4.4Å; W310-F315 AromaticContact CE3-CD1 3.99Å; W310-F315 HydrophobicContact CE3-CD1 3.99Å; W310-F315 HydrophobicContact CE3-CE1 4.48Å; W310-F315 HydrophobicContact CH2-CB 4.26Å; W310-F315 AromaticContact CH2-CD1 3.61Å; W310-F315 HydrophobicContact CH2-CD1 3.61Å; W310-F315 HydrophobicContact CH2-CG 4.43Å; W310-F315 HydrophobicContact CZ2-CB 3.89Å; W310-F315 HydrophobicContact CZ2-CD1 4.04Å; W310-F315 HydrophobicContact CZ2-CG 4.48Å; W310-F315 AromaticContact CZ3-CD1 3.6Å; W310-F315 HydrophobicContact CZ3-CD1 3.6Å; W310-F315 HydrophobicContact CZ3-CE1 4.14Å; W310-F315 PolarHBondContact O-N 2.71Å; A311-F315 HydrophobicContact CB-CD1 4.43Å; A311-F315 HydrophobicContact CB-CE1 3.68Å; A311-F315 HydrophobicContact CB-CE2 4.44Å; A311-F315 HydrophobicContact CB-CZ 3.69Å; F315-G319 PolarHBondContact O-N 2.98Å; F315-L323 HydrophobicContact CB-CD2 4.35Å; F315-L323 HydrophobicContact CD1-CD1 4.49Å; F315-L323 HydrophobicContact CD1-CD2 4Å; F315-L323 HydrophobicContact CD2-CD1 3.95Å; F315-L323 HydrophobicContact CE2-CD1 4.15Å; F315-L323 HydrophobicContact CG-CD1 4.13Å; F315-L323 HydrophobicContact CG-CD2 4.12Å; F315-L323 HydrophobicContact CG-CG 4.48Å
316	Q	84.8	Confident	84.6	Confident	114 Å²	114	55.9 Å²	55.9	53%	0.533	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	142.5	-178.8	-67.6	-65.5	-21.9	0	0	112.8	W310 G313 G314	W310-Q316 PolarHBondContact NE1-O 2.84Å; G313-Q316 WeakPolarHBondContact O-CG 3.32Å; G314-Q316 PolarHBondContact O-N 3.28Å; G314-Q316 VanDerWaalsContact O-N 3.16Å
317	P	81.3	Confident	83.1	Confident	110 Å²	110	64.5 Å²	64.5	71%	0.714	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	cis	-93.8	-11.8	15.3	36.1	-37	0	0	0	115.5
318	K	82.8	Confident	80.8	Confident	81 Å²	81	68.1 Å²	68.1	35%	0.352	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-20.8	-177.3	-64.1	-162.5	-169.3	171.9	0	113.7	A288 E289 E320 E321 G322	A288-K318 VanDerWaalsContact O-CD 3.29Å; A288-K318 WeakPolarHBondContact O-CD 3.31Å; A288-K318 WeakPolarHBondContact O-CE 3.4Å; A288-K318 PolarHBondContact O-NZ 2.95Å; E289-K318 IonicContact OE1-NZ 2.65Å; E289-K318 IonicContact OE2-NZ 3.76Å; E289-K318 PolarHBondContact OE2-NZ 3.07Å; K318-E320 PolarHBondContact O-N 3.35Å; K318-E321 PolarHBondContact O-N 2.93Å; K318-G322 PolarHBondContact O-N 2.87Å; K318-G322 VanDerWaalsContact O-N 3.16Å
319	G	85.6	Confident	78.1	Confident	7 Å²	7	72.3 Å²	72.3	7%	0.072	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.5	-135.8	176.1	0	0	0	0	0	112.6	F315 E321 G322	F315-G319 PolarHBondContact O-N 2.98Å; G319-E321 PolarHBondContact O-N 3.08Å; G319-G322 WeakPolarHBondContact O-CA 3.44Å; G319-G322 PolarHBondContact O-N 3.27Å; G319-G322 VanDerWaalsContact O-N 3.09Å
320	E	82.6	Confident	75.5	Confident	104 Å²	104	72.9 Å²	72.9	49%	0.486	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-38	-176.8	-174.1	158.3	-136.8	0	0	113.4	S254 M256 K318 G322 L323	S254-E320 PolarHBondContact OG-OE1 3.07Å; M256-E320 HydrophobicContact CE-CB 4.15Å; M256-E320 HydrophobicContact CG-CB 3.84Å; M256-E320 HydrophobicContact CG-CG 3.99Å; M256-E320 VanDerWaalsContact SD-CA 3.55Å; M256-E320 HydrophobicContact SD-CB 3.99Å; M256-E320 PolarHBondContact SD-N 3.12Å; K318-E320 PolarHBondContact O-N 3.35Å; E320-G322 PolarHBondContact O-N 2.92Å; E320-L323 PolarHBondContact O-N 2.91Å
321	E	80.9	Confident	72.5	Confident	129 Å²	129	76.3 Å²	76.3	60%	0.603	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-60.1	-35.7	173.9	-59.2	-54.1	137.4	0	0	111.4	K318 G319 L323 K324	K318-E321 PolarHBondContact O-N 2.93Å; G319-E321 PolarHBondContact O-N 3.08Å; E321-L323 PolarHBondContact O-N 2.82Å; E321-K324 PolarHBondContact O-N 3.02Å; E321-K324 IonicContact OE1-NZ 3.11Å; E321-K324 PolarHBondContact OE1-NZ 2.85Å; E321-K324 WeakPolarHBondContact OE2-CD 3.4Å; E321-K324 WeakPolarHBondContact OE2-CE 3.42Å; E321-K324 IonicContact OE2-NZ 3.84Å; E321-K324 PolarHBondContact OE2-NZ 3.43Å
322	G	81.3	Confident	69.6	Low	3 Å²	3	82.9 Å²	82.9	3%	0.031	48%	0.475	C	S	.	.	G	3₁₀ helix	trans	-68.1	-9.9	175.2	0	0	0	0	0	115.4	R287 A288 K318 G319 E320	R287-G322 CarbonylContact C-O 3.58Å; R287-G322 WeakPolarHBondContact CB-O 3.45Å; A288-G322 PolarHBondContact N-O 3.41Å; A288-G322 VanDerWaalsContact N-O 3.12Å; K318-G322 PolarHBondContact O-N 2.87Å; K318-G322 VanDerWaalsContact O-N 3.16Å; G319-G322 WeakPolarHBondContact O-CA 3.44Å; G319-G322 PolarHBondContact O-N 3.27Å; G319-G322 VanDerWaalsContact O-N 3.09Å; E320-G322 PolarHBondContact O-N 2.92Å
323	L	85.1	Confident	66.8	Low	10 Å²	10	85.1 Å²	85.1	5%	0.052	49%	0.493	C	S	.	.	G	3₁₀ helix	trans	-103.8	-10.5	178.1	-56.8	-169.1	0	0	0	113.6	L255 M256 A284 R287 F315 E320 E321	L255-L323 HydrophobicContact CB-CD1 4.19Å; L255-L323 HydrophobicContact CD2-CD1 4.43Å; M256-L323 HydrophobicContact CG-CD1 3.95Å; M256-L323 HydrophobicContact SD-CD1 3.57Å; M256-L323 VanDerWaalsContact SD-CD1 3.57Å; M256-L323 HydrophobicContact SD-CG 4.2Å; A284-L323 HydrophobicContact CB-CD2 3.52Å; R287-L323 WeakPolarHBondContact CD-O 3.38Å; R287-L323 PolarHBondContact NH1-O 3.12Å; F315-L323 HydrophobicContact CB-CD2 4.35Å; F315-L323 HydrophobicContact CD1-CD1 4.49Å; F315-L323 HydrophobicContact CD1-CD2 4Å; F315-L323 HydrophobicContact CD2-CD1 3.95Å; F315-L323 HydrophobicContact CE2-CD1 4.15Å; F315-L323 HydrophobicContact CG-CD1 4.13Å; F315-L323 HydrophobicContact CG-CD2 4.12Å; F315-L323 HydrophobicContact CG-CG 4.48Å; E320-L323 PolarHBondContact O-N 2.91Å; E321-L323 PolarHBondContact O-N 2.82Å
324	K	82.7	Confident	64.2	Low	97 Å²	97	91.1 Å²	91.1	42%	0.422	51%	0.513	S	S	.	.	S	Bend	trans	-67.9	156.4	-175.2	-69.4	-179.3	-172.3	172.4	0	112.7	E321 T326	E321-K324 PolarHBondContact O-N 3.02Å; E321-K324 IonicContact OE1-NZ 3.11Å; E321-K324 PolarHBondContact OE1-NZ 2.85Å; E321-K324 WeakPolarHBondContact OE2-CD 3.4Å; E321-K324 WeakPolarHBondContact OE2-CE 3.42Å; E321-K324 IonicContact OE2-NZ 3.84Å; E321-K324 PolarHBondContact OE2-NZ 3.43Å; K324-T326 PolarHBondContact O-N 2.68Å
325	P	80.8	Confident	61.5	Low	49 Å²	49	95 Å²	95	32%	0.318	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-74.1	126.3	-178.1	-13.6	30.1	0	0	0	111.8	E202 R327	E202-P325 HydrophobicContact CG-CG 4.24Å; P325-R327 PolarHBondContact O-N 3.33Å
326	T	64.9	Low	58.7	Low	125 Å²	125	101.3 Å²	101.3	77%	0.767	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-67.2	118.9	177.3	-39.4	0	0	0	0	111.1	K324	K324-T326 PolarHBondContact O-N 2.68Å
327	R	52.9	Low	56.1	Low	238 Å²	238	103 Å²	103	90%	0.898	57%	0.567	S	S	*	*			trans	-91.7	111.1	173.4	-69.4	-175.2	176.9	-171.2	-0.1	110.6	P325 A329	P325-R327 PolarHBondContact O-N 3.33Å; R327-A329 PolarHBondContact O-N 3.5Å
328	S	38.7	Very low	53.8	Low	94 Å²	94	102.7 Å²	102.7	66%	0.657	56%	0.558	S	S	*	*			trans	-81.6	110.6	174.2	53.6	0	0	0	0	111.6	S330	S328-S330 PolarHBondContact O-N 3.49Å; S328-S330 VanDerWaalsContact O-N 3.11Å
329	A	32.8	Very low	51.3	Low	109 Å²	109	104.1 Å²	104.1	90%	0.901	57%	0.569	S	S	*	*			trans	-86.5	63.6	-175.2	0	0	0	0	0	113.5	R327	R327-A329 PolarHBondContact O-N 3.5Å
330	S	33.6	Very low	48.7	Very low	111 Å²	111	109.5 Å²	109.5	78%	0.776	60%	0.596	S	S	*	*			trans	-162.1	50.3	179.4	51.9	0	0	0	0	115.8	S328	S328-S330 PolarHBondContact O-N 3.49Å; S328-S330 VanDerWaalsContact O-N 3.11Å
331	S	28.9	Very low	46.3	Very low	95 Å²	95	107.3 Å²	107.3	66%	0.664	59%	0.59	S	S	*	*			trans	-143.1	148.9	169.7	56.6	0	0	0	0	112.9
332	N	28.9	Very low	43.9	Very low	138 Å²	138	104.8 Å²	104.8	74%	0.738	59%	0.587	S	S	*	*			trans	-77.1	155.3	-173.6	-82.9	-29.7	0	0	0	113.2	L334 D335	N332-L334 PolarHBondContact O-N 3.12Å; N332-D335 PolarHBondContact O-N 2.81Å
333	P	30.1	Very low	41.3	Very low	110 Å²	110	107 Å²	107	71%	0.714	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.6	4.3	-171.8	-21.4	34.5	0	0	0	117.4
334	L	30.7	Very low	38.5	Very low	175 Å²	175	109.4 Å²	109.4	92%	0.916	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.2	-5.2	-179.6	-71.4	171.8	0	0	0	113.6	N332	N332-L334 PolarHBondContact O-N 3.12Å
335	D	30.5	Very low	35.8	Very low	95 Å²	95	112.3 Å²	112.3	51%	0.508	63%	0.629	S	S	.	*			trans	-106.1	67.5	-176.9	-156.3	4	0	0	0	112.2	N332 Q337	N332-D335 PolarHBondContact O-N 2.81Å; D335-Q337 PolarHBondContact O-N 2.91Å; D335-Q337 WeakPolarHBondContact OD1-CG 3.37Å; D335-Q337 PolarHBondContact OD1-NE2 2.89Å
336	H	33.5	Very low	33	Very low	133 Å²	133	119.7 Å²	119.7	62%	0.616	65%	0.652	S	S	*	*			trans	-79.4	39.4	173	-92.9	-54.8	0	0	0	113.2	V188	V188-H336 WeakPolarHBondContact CG1-NE2 2.8Å
337	Q	30	Very low	31.1	Very low	150 Å²	150	122 Å²	122	70%	0.701	65%	0.652	S	S	*	*			trans	-82.1	122.6	166.1	-68.1	-171.7	54.6	0	0	110.4	D335	D335-Q337 PolarHBondContact O-N 2.91Å; D335-Q337 WeakPolarHBondContact OD1-CG 3.37Å; D335-Q337 PolarHBondContact OD1-NE2 2.89Å
338	I	32.6	Very low	29.8	Very low	103 Å²	103	115.7 Å²	115.7	53%	0.528	64%	0.641	S	S	.	*			trans	45.7	103.3	152.7	-50.4	173.5	0	0	0	114.9	A223 N340	A223-I338 HydrophobicContact CB-CG1 4.35Å; I338-N340 HydrophobicContact CG2-CB 4.26Å; I338-N340 PolarHBondContact O-N 3.24Å
339	L	29.6	Very low	29.1	Very low	112 Å²	112	115.8 Å²	115.8	59%	0.586	64%	0.642	S	S	*	*			trans	-60.8	92.1	156.8	-100.6	168	0	0	0	108.5	V200 V341	V200-L339 HydrophobicContact CB-CD1 4.05Å; V200-L339 HydrophobicContact CG1-CD1 3.58Å; L339-V341 VanDerWaalsContact C-N 3.34Å; L339-V341 PolarHBondContact O-N 2.98Å
340	N	32.1	Very low	28.8	Very low	120 Å²	120	115 Å²	115	64%	0.642	64%	0.636	S	S	*	*			trans	-79	83.3	-169.5	-174.3	11.2	0	0	0	109.6	I338 S342	I338-N340 HydrophobicContact CG2-CB 4.26Å; I338-N340 PolarHBondContact O-N 3.24Å; N340-S342 PolarHBondContact ND2-OG 3.15Å; N340-S342 PolarHBondContact O-N 3.37Å; N340-S342 PolarHBondContact OD1-OG 3.25Å; N340-S342 VanDerWaalsContact OD1-OG 3.06Å
341	V	32.4	Very low	28.7	Very low	57 Å²	57	119.6 Å²	119.6	35%	0.345	64%	0.641	S	S	.	*			trans	-74.1	73.1	173.9	-163.2	0	0	0	0	109.3	I217 M283 L339 L343	I217-V341 HydrophobicContact CD1-CB 4.14Å; I217-V341 HydrophobicContact CD1-CG1 3.62Å; I217-V341 HydrophobicContact CD1-CG2 3.93Å; M283-V341 HydrophobicContact CE-CG1 3.46Å; M283-V341 VanDerWaalsContact CE-CG1 3.46Å; M283-V341 HydrophobicContact SD-CG1 3.76Å; L339-V341 VanDerWaalsContact C-N 3.34Å; L339-V341 PolarHBondContact O-N 2.98Å; V341-L343 VanDerWaalsContact C-N 3.34Å; V341-L343 PolarHBondContact O-N 2.75Å
342	S	29.1	Very low	28.7	Very low	77 Å²	77	123.2 Å²	123.2	54%	0.538	64%	0.641	S	S	.	*			trans	-65.7	91.8	172.9	-60.8	0	0	0	0	109.2	N340 P344	N340-S342 PolarHBondContact ND2-OG 3.15Å; N340-S342 PolarHBondContact O-N 3.37Å; N340-S342 PolarHBondContact OD1-OG 3.25Å; N340-S342 VanDerWaalsContact OD1-OG 3.06Å; S342-P344 VanDerWaalsContact O-CD 3.3Å; S342-P344 WeakPolarHBondContact O-CD 3.37Å
343	L	27.7	Very low	28.7	Very low	48 Å²	48	120.9 Å²	120.9	25%	0.251	63%	0.633	S	S	.	*			trans	-58.9	119.2	161.8	-151.1	169.9	0	0	0	106.4	F239 Q279 E282 M283 V341 E345	F239-L343 HydrophobicContact CE1-CD1 4.11Å; Q279-L343 HydrophobicContact CB-CD1 4.4Å; E282-L343 HydrophobicContact CG-CD2 3.88Å; E282-L343 WeakPolarHBondContact OE2-CD2 3.39Å; M283-L343 HydrophobicContact CB-CD1 4.45Å; M283-L343 HydrophobicContact CB-CG 4.27Å; M283-L343 HydrophobicContact CE-CB 3.69Å; M283-L343 HydrophobicContact CE-CD1 3.86Å; M283-L343 HydrophobicContact CE-CG 3.6Å; M283-L343 HydrophobicContact SD-CG 4.35Å; V341-L343 VanDerWaalsContact C-N 3.34Å; V341-L343 PolarHBondContact O-N 2.75Å; L343-E345 PolarHBondContact O-N 3.08Å
344	P	26.5	Very low	28.5	Very low	61 Å²	61	125.1 Å²	125.1	40%	0.396	64%	0.64	S	S	.	*			trans	-55.4	135	-168.8	-36.5	41.9	0	0	0	115	V286 S342 Y346	V286-P344 HydrophobicContact CB-CG 3.99Å; V286-P344 HydrophobicContact CG1-CG 3.37Å; V286-P344 HydrophobicContact CG2-CB 4.2Å; V286-P344 HydrophobicContact CG2-CG 3.49Å; V286-P344 VanDerWaalsContact CG2-CG 3.49Å; S342-P344 VanDerWaalsContact O-CD 3.3Å; S342-P344 WeakPolarHBondContact O-CD 3.37Å; P344-Y346 PolarHBondContact O-N 3.41Å
345	E	25.8	Very low	28.2	Very low	158 Å²	158	123.3 Å²	123.3	74%	0.738	64%	0.636	S	S	*	*			trans	-76.6	86.9	-175.9	-60	170.7	124.5	0	0	109.7	L343 F347	L343-E345 PolarHBondContact O-N 3.08Å; E345-F347 PolarHBondContact O-N 2.88Å
346	Y	22.3	Very low	28.1	Very low	204 Å²	204	123.2 Å²	123.2	80%	0.8	64%	0.643	S	S	*	*	S	Bend	trans	-70.5	38.5	160.8	-161.4	-98	0	0	0	111.8	P344	P344-Y346 PolarHBondContact O-N 3.41Å
347	F	24.9	Very low	27.9	Very low	175 Å²	175	122.6 Å²	122.6	77%	0.768	65%	0.651	S	S	*	*	S	Bend	trans	-151.7	109.3	169.6	-78.4	-67.5	0	0	0	108.4	E345 S349	E345-F347 PolarHBondContact O-N 2.88Å; F347-S349 PolarHBondContact O-N 2.86Å
348	P	25.1	Very low	27.6	Very low	104 Å²	104	121 Å²	121	68%	0.675	66%	0.655	S	S	*	*			trans	-77.1	113.4	-167.3	28.1	-34.8	0	0	0	113.5	R395	P348-R395 PolarHBondContact O-NH1 3.49Å
349	S	24.2	Very low	27.8	Very low	97 Å²	97	126.2 Å²	126.2	68%	0.678	67%	0.674	S	S	*	*			trans	-125.9	83.3	171.4	179.6	0	0	0	0	112.7	F347	F347-S349 PolarHBondContact O-N 2.86Å
350	A	27.3	Very low	28.1	Very low	93 Å²	93	125.7 Å²	125.7	77%	0.769	69%	0.686	S	S	*	*			trans	12.4	120.5	158.7	0	0	0	0	0	119.9
351	K	29.9	Very low	28.2	Very low	206 Å²	206	130.5 Å²	130.5	90%	0.896	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-102.9	141.3	147.1	-75.6	-177.6	179.1	173.2	0	109.8
352	R	29	Very low	28.3	Very low	172 Å²	172	132.7 Å²	132.7	65%	0.649	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-61.6	137.8	175.7	-77.6	172.8	160.6	158.9	-9.7	110.6	E366	R352-E366 IonicContact CZ-OE1 3.83Å; R352-E366 IonicContact NE-OE1 2.69Å; R352-E366 IonicContact NH2-OE1 3.84Å; R352-E366 PolarHBondContact NH2-OE1 3.28Å
353	P	29.6	Very low	28.4	Very low	88 Å²	88	133.6 Å²	133.6	57%	0.571	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-86.8	159.4	-178.9	34.5	-35.1	0	0	0	113	P364	P353-P364 HydrophobicContact CG-CB 3.73Å; P353-P364 HydrophobicContact CG-CG 4.49Å
354	K	25.4	Very low	29.1	Very low	199 Å²	199	135.8 Å²	135.8	87%	0.865	75%	0.754	S	S	*	*			trans	-148.2	125.8	157.4	-116.6	-174.4	-178.9	-177	0	112.7
355	V	25.3	Very low	29.9	Very low	137 Å²	137	140.3 Å²	140.3	83%	0.83	77%	0.77	S	S	*	*			trans	61.7	110.8	161.7	-166.2	0	0	0	0	117.3
356	S	28.4	Very low	30.7	Very low	93 Å²	93	138.4 Å²	138.4	65%	0.65	76%	0.761	S	S	*	*			trans	-95.2	171.5	165	63	0	0	0	0	111.5
357	P	28.1	Very low	32	Very low	121 Å²	121	132.9 Å²	132.9	79%	0.786	75%	0.75	S	S	*	*				-118.8	148.8	97.2	36.2	-34.4	0	0	0	110.8
358	C	24.8	Very low	33.8	Very low	117 Å²	117	125.8 Å²	125.8	79%	0.791	72%	0.722	S	S	*	*	S	Bend	cis	-135.3	-173.6	43.2	-84.5	0	0	0	0	115.2	A360	C358-A360 PolarHBondContact O-N 3.16Å
359	K	36.2	Very low	36.6	Very low	212 Å²	212	122.8 Å²	122.8	92%	0.922	70%	0.703	S	S	*	*			trans	-71	108.9	-162.4	-58.9	169.3	-178.5	173.1	0	115.9
360	A	36.6	Very low	39.7	Very low	101 Å²	101	120 Å²	120	84%	0.835	68%	0.678	S	S	*	*			trans	-164.3	151.9	139.9	0	0	0	0	0	109.2	C358	C358-A360 PolarHBondContact O-N 3.16Å
361	K	34	Very low	42.7	Very low	220 Å²	220	119.6 Å²	119.6	96%	0.957	66%	0.66	S	S	*	*			trans	-99.7	120.6	-174.4	-73.3	-175.7	178	179.8	0	113
362	A	33.3	Very low	45.5	Very low	103 Å²	103	113.3 Å²	113.3	85%	0.851	63%	0.634	S	S	*	*			trans	-145.5	155.3	157.7	0	0	0	0	0	108.9
363	A	32.7	Very low	48.5	Very low	96 Å²	96	105.2 Å²	105.2	79%	0.793	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-102.8	151.2	-171.8	0	0	0	0	0	113
364	P	42.7	Very low	51.4	Low	94 Å²	94	101.6 Å²	101.6	61%	0.61	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-87.8	148.7	-178.2	35.3	-35.3	0	0	0	113.5	P353	P353-P364 HydrophobicContact CG-CB 3.73Å; P353-P364 HydrophobicContact CG-CG 4.49Å
365	E	42.3	Very low	54.5	Low	157 Å²	157	95.2 Å²	95.2	73%	0.734	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-81	142.8	176.3	-62.5	-173.4	140.3	0	0	113
366	E	43.2	Very low	57.5	Low	118 Å²	118	90.5 Å²	90.5	55%	0.551	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-97.5	152.7	173.5	-85.6	-99.8	92.9	0	0	111.4	R352 C368	R352-E366 IonicContact CZ-OE1 3.83Å; R352-E366 IonicContact NE-OE1 2.69Å; R352-E366 IonicContact NH2-OE1 3.84Å; R352-E366 PolarHBondContact NH2-OE1 3.28Å; E366-C368 PolarHBondContact O-N 3.39Å
367	P	49.6	Very low	60.4	Low	87 Å²	87	87.1 Å²	87.1	57%	0.565	50%	0.499	S	S	*	.			trans	-70.9	95.8	173.5	30.2	-33.7	0	0	0	111.1	S369 Q372	P367-S369 PolarHBondContact O-N 3.42Å; P367-Q372 PolarHBondContact O-OE1 2.97Å
368	C	62.8	Low	63.3	Low	27 Å²	27	86.4 Å²	86.4	18%	0.182	49%	0.486	C	S	.	.			trans	-55.1	117.9	-176.5	-161.8	0	0	0	0	113.3	E366 Q372 G392	E366-C368 PolarHBondContact O-N 3.39Å; C368-Q372 VanDerWaalsContact CA-OE1 3.31Å; C368-G392 CarbonylContact O-C 3.59Å
369	S	83.9	Confident	66.3	Low	40 Å²	40	88.2 Å²	88.2	28%	0.28	48%	0.48	S	S	.	.			trans	-81.7	170	170.8	85.5	0	0	0	0	112.1	P367 E371 Q372 M373	P367-S369 PolarHBondContact O-N 3.42Å; S369-E371 VanDerWaalsContact C-N 3.26Å; S369-E371 WeakPolarHBondContact CB-OE2 3.17Å; S369-E371 PolarHBondContact O-N 3.13Å; S369-E371 PolarHBondContact OG-N 2.8Å; S369-E371 PolarHBondContact OG-OE2 3.29Å; S369-Q372 PolarHBondContact O-N 3.33Å; S369-Q372 PolarHBondContact OG-N 2.83Å; S369-Q372 VanDerWaalsContact OG-N 3.16Å; S369-M373 WeakPolarHBondContact O-CB 3.45Å; S369-M373 PolarHBondContact O-N 2.93Å
370	R	89	Confident	68.5	Low	39 Å²	39	84.4 Å²	84.4	15%	0.147	46%	0.463	C	S	.	.	H	α-helix	trans	-63.1	-36.5	176.7	-73	-174.5	-63	-175	-4.8	111.7	M373 V374 D455 I459	R370-M373 WeakPolarHBondContact O-CB 3.3Å; R370-M373 PolarHBondContact O-N 2.85Å; R370-V374 WeakPolarHBondContact O-CG2 3.38Å; R370-V374 PolarHBondContact O-N 3.12Å; R370-D455 IonicContact CZ-OD2 3.72Å; R370-D455 IonicContact NH1-OD2 3.56Å; R370-D455 PolarHBondContact NH1-OD2 3.34Å; R370-D455 IonicContact NH2-OD2 2.66Å; R370-D455 PolarHBondContact NH2-OD2 3.45Å; R370-I459 HydrophobicContact CB-CD1 4.38Å; R370-I459 HydrophobicContact CB-CG2 3.73Å
371	E	89.9	Confident	70.7	Confident	85 Å²	85	87 Å²	87	40%	0.397	46%	0.463	S	S	.	.	H	α-helix	trans	-69.7	-38.9	178.8	-49.4	73.4	-159.3	0	0	110.3	S369 N375 I459	S369-E371 VanDerWaalsContact C-N 3.26Å; S369-E371 WeakPolarHBondContact CB-OE2 3.17Å; S369-E371 PolarHBondContact O-N 3.13Å; S369-E371 PolarHBondContact OG-N 2.8Å; S369-E371 PolarHBondContact OG-OE2 3.29Å; E371-N375 PolarHBondContact O-N 2.81Å; E371-N375 VanDerWaalsContact O-N 3.1Å; E371-N375 PolarHBondContact O-ND2 2.81Å; E371-I459 HydrophobicContact CG-CD1 4.43Å; E371-I459 HydrophobicContact CG-CG1 4.29Å; E371-I459 HydrophobicContact CG-CG2 4.1Å; E371-I459 WeakPolarHBondContact OE1-CD1 3.45Å
372	Q	88.9	Confident	73.2	Confident	74 Å²	74	81.1 Å²	81.1	35%	0.346	44%	0.435	S	S	.	.	H	α-helix	trans	-65.9	-44.8	171.7	-71.9	173.8	-31.5	0	0	111.5	P367 C368 S369 V374 N375 E376	P367-Q372 PolarHBondContact O-OE1 2.97Å; C368-Q372 VanDerWaalsContact CA-OE1 3.31Å; S369-Q372 PolarHBondContact O-N 3.33Å; S369-Q372 PolarHBondContact OG-N 2.83Å; S369-Q372 VanDerWaalsContact OG-N 3.16Å; Q372-V374 VanDerWaalsContact C-N 3.34Å; Q372-V374 PolarHBondContact O-N 3.47Å; Q372-N375 CarbonylContact O-C 2.98Å; Q372-N375 WeakPolarHBondContact O-CB 3.5Å; Q372-N375 PolarHBondContact O-N 2.86Å; Q372-N375 VanDerWaalsContact O-N 3.11Å; Q372-E376 WeakPolarHBondContact O-CG 3.12Å; Q372-E376 PolarHBondContact O-N 3.07Å
373	M	92.4	Very high	75.9	Confident	1 Å²	1	78.9 Å²	78.9	1%	0.005	41%	0.413	C	S	.	.	H	α-helix	trans	-52.4	-49.4	173.2	167.4	-168.4	80.3	0	0	111.7	S369 R370 N375 E376 V377 F387 L460	S369-M373 WeakPolarHBondContact O-CB 3.45Å; S369-M373 PolarHBondContact O-N 2.93Å; R370-M373 WeakPolarHBondContact O-CB 3.3Å; R370-M373 PolarHBondContact O-N 2.85Å; M373-N375 VanDerWaalsContact C-N 3.31Å; M373-N375 PolarHBondContact O-N 2.74Å; M373-E376 PolarHBondContact O-N 2.96Å; M373-V377 WeakPolarHBondContact O-CG2 3.48Å; M373-V377 PolarHBondContact O-N 3.13Å; M373-F387 HydrophobicContact CB-CD1 4.01Å; M373-F387 HydrophobicContact CB-CE1 4.41Å; M373-F387 HydrophobicContact CB-CG 4.4Å; M373-F387 HydrophobicContact CG-CB 3.64Å; M373-F387 HydrophobicContact CG-CD1 3.76Å; M373-F387 HydrophobicContact CG-CD2 4.2Å; M373-F387 HydrophobicContact CG-CE1 4.42Å; M373-F387 HydrophobicContact CG-CG 3.63Å; M373-F387 HydrophobicContact SD-CB 3.48Å; M373-F387 WeakPolarHBondContact SD-CB 3.44Å; M373-F387 HydrophobicContact SD-CG 4.19Å; M373-L460 HydrophobicContact CE-CD2 3.48Å; M373-L460 VanDerWaalsContact CE-CD2 3.48Å
374	V	90.8	Very high	78.7	Confident	13 Å²	13	75.3 Å²	75.3	8%	0.079	38%	0.381	C	S	.	.	H	α-helix	trans	-61.6	-40.1	178.7	173.8	0	0	0	0	111.1	R370 Q372 V377 Q378 I459 L460 V488	R370-V374 WeakPolarHBondContact O-CG2 3.38Å; R370-V374 PolarHBondContact O-N 3.12Å; Q372-V374 VanDerWaalsContact C-N 3.34Å; Q372-V374 PolarHBondContact O-N 3.47Å; V374-V377 PolarHBondContact O-N 2.96Å; V374-Q378 HydrophobicContact CG1-CG 4.35Å; V374-Q378 WeakPolarHBondContact O-CB 3.39Å; V374-Q378 WeakPolarHBondContact O-CG 3.4Å; V374-Q378 PolarHBondContact O-N 3.27Å; V374-I459 HydrophobicContact CG2-CG2 4Å; V374-I459 VanDerWaalsContact CG2-O 3.27Å; V374-I459 WeakPolarHBondContact CG2-O 3.45Å; V374-L460 HydrophobicContact CG2-CD2 4.19Å; V374-V488 HydrophobicContact CG1-CG1 4.06Å; V374-V488 HydrophobicContact CG1-CG2 4.38Å; V374-V488 HydrophobicContact CG2-CG2 3.84Å
375	N	89.4	Confident	81	Confident	64 Å²	64	75.2 Å²	75.2	34%	0.342	37%	0.372	S	S	.	.	H	α-helix	trans	-65.3	-40.4	173.9	-83.3	-92.3	0	0	0	112.8	E371 Q372 M373 K379	E371-N375 PolarHBondContact O-N 2.81Å; E371-N375 VanDerWaalsContact O-N 3.1Å; E371-N375 PolarHBondContact O-ND2 2.81Å; Q372-N375 CarbonylContact O-C 2.98Å; Q372-N375 WeakPolarHBondContact O-CB 3.5Å; Q372-N375 PolarHBondContact O-N 2.86Å; Q372-N375 VanDerWaalsContact O-N 3.11Å; M373-N375 VanDerWaalsContact C-N 3.31Å; M373-N375 PolarHBondContact O-N 2.74Å; N375-K379 VanDerWaalsContact O-CB 3.23Å; N375-K379 WeakPolarHBondContact O-CB 3.5Å; N375-K379 PolarHBondContact O-N 3Å; N375-K379 WeakPolarHBondContact OD1-CE 3.4Å; N375-K379 PolarHBondContact OD1-NZ 2.83Å
376	E	88.8	Confident	83.3	Confident	39 Å²	39	71.3 Å²	71.3	18%	0.182	35%	0.354	C	S	.	.	H	α-helix	trans	-64.4	-43.2	176.2	-66.9	-63.8	122.6	0	0	111.7	Q372 M373 K380 N381 R382 F387	Q372-E376 WeakPolarHBondContact O-CG 3.12Å; Q372-E376 PolarHBondContact O-N 3.07Å; M373-E376 PolarHBondContact O-N 2.96Å; E376-K380 CarbonylContact O-C 3.6Å; E376-K380 WeakPolarHBondContact O-CA 3.21Å; E376-K380 WeakPolarHBondContact O-CB 3.12Å; E376-K380 PolarHBondContact O-N 3.4Å; E376-K380 WeakPolarHBondContact OE1-CE 3.42Å; E376-K380 IonicContact OE1-NZ 3.74Å; E376-K380 PolarHBondContact OE1-NZ 2.99Å; E376-K380 WeakPolarHBondContact OE2-CD 3.14Å; E376-K380 WeakPolarHBondContact OE2-CE 3.48Å; E376-K380 IonicContact OE2-NZ 3.2Å; E376-K380 PolarHBondContact OE2-NZ 3.36Å; E376-N381 PolarHBondContact O-N 3.32Å; E376-R382 IonicContact OE2-NE 3.96Å; E376-F387 HydrophobicContact CB-CZ 4.02Å; E376-F387 HydrophobicContact CG-CZ 4.43Å
377	V	89.8	Confident	85.8	Confident	22 Å²	22	65.7 Å²	65.7	13%	0.133	33%	0.328	C	S	.	.	H	α-helix	trans	-63.9	-54.1	176.4	172.8	0	0	0	0	110.5	M373 V374 N381 I384 F387 V488	M373-V377 WeakPolarHBondContact O-CG2 3.48Å; M373-V377 PolarHBondContact O-N 3.13Å; V374-V377 PolarHBondContact O-N 2.96Å; V377-N381 VanDerWaalsContact O-CA 3.28Å; V377-N381 WeakPolarHBondContact O-CA 3.21Å; V377-N381 PolarHBondContact O-N 3.48Å; V377-N381 VanDerWaalsContact O-N 3.11Å; V377-I384 HydrophobicContact CG1-CB 4.49Å; V377-I384 HydrophobicContact CG2-CB 4.2Å; V377-I384 HydrophobicContact CG2-CG1 4.45Å; V377-F387 HydrophobicContact CG2-CD2 4.35Å; V377-F387 HydrophobicContact CG2-CE2 4.28Å; V377-V488 HydrophobicContact CB-CG1 4.42Å; V377-V488 HydrophobicContact CG1-CG1 3.98Å
378	Q	88.4	Confident	87.9	Confident	106 Å²	106	61.6 Å²	61.6	50%	0.495	30%	0.301	S	S	.	.	H	α-helix	trans	-69.7	-39.1	-175.7	-70.4	179.1	-15.8	0	0	114	V374 V488	V374-Q378 HydrophobicContact CG1-CG 4.35Å; V374-Q378 WeakPolarHBondContact O-CB 3.39Å; V374-Q378 WeakPolarHBondContact O-CG 3.4Å; V374-Q378 PolarHBondContact O-N 3.27Å; Q378-V488 HydrophobicContact CG-CG1 3.72Å
379	K	87.1	Confident	89.4	Confident	155 Å²	155	60.3 Å²	60.3	67%	0.674	29%	0.292	S	S	*	.	H	α-helix	trans	-102.8	-18.3	-170.3	-59.8	174.5	176.6	168	0	114.3	N375	N375-K379 VanDerWaalsContact O-CB 3.23Å; N375-K379 WeakPolarHBondContact O-CB 3.5Å; N375-K379 PolarHBondContact O-N 3Å; N375-K379 WeakPolarHBondContact OD1-CE 3.4Å; N375-K379 PolarHBondContact OD1-NZ 2.83Å
380	K	82.6	Confident	89.7	Confident	132 Å²	132	59.1 Å²	59.1	57%	0.574	28%	0.284	S	S	*	.	H	α-helix	trans	-121.3	6.3	176.6	-50.7	-168.9	-157.1	155.1	0	113.6	E376 R382	E376-K380 CarbonylContact O-C 3.6Å; E376-K380 WeakPolarHBondContact O-CA 3.21Å; E376-K380 WeakPolarHBondContact O-CB 3.12Å; E376-K380 PolarHBondContact O-N 3.4Å; E376-K380 WeakPolarHBondContact OE1-CE 3.42Å; E376-K380 IonicContact OE1-NZ 3.74Å; E376-K380 PolarHBondContact OE1-NZ 2.99Å; E376-K380 WeakPolarHBondContact OE2-CD 3.14Å; E376-K380 WeakPolarHBondContact OE2-CE 3.48Å; E376-K380 IonicContact OE2-NZ 3.2Å; E376-K380 PolarHBondContact OE2-NZ 3.36Å; K380-R382 PolarHBondContact O-N 3.01Å
381	N	82.8	Confident	89.7	Confident	154 Å²	154	59.3 Å²	59.3	82%	0.824	29%	0.29	S	S	*	.			trans	54.6	35.5	173.5	-159.3	40	0	0	0	114	E376 V377	E376-N381 PolarHBondContact O-N 3.32Å; V377-N381 VanDerWaalsContact O-CA 3.28Å; V377-N381 WeakPolarHBondContact O-CA 3.21Å; V377-N381 PolarHBondContact O-N 3.48Å; V377-N381 VanDerWaalsContact O-N 3.11Å
382	R	86.6	Confident	89.7	Confident	97 Å²	97	55.2 Å²	55.2	37%	0.366	27%	0.271	S	S	.	.			trans	-73.4	153.6	172.3	-77.6	-171.3	176	-107.8	4.2	111.3	E376 K380 I384 E386 F387	E376-R382 IonicContact OE2-NE 3.96Å; K380-R382 PolarHBondContact O-N 3.01Å; R382-I384 PolarHBondContact O-N 3.37Å; R382-E386 IonicContact CZ-OE2 3.85Å; R382-E386 IonicContact NH1-OE2 2.76Å; R382-E386 PolarHBondContact NH1-OE2 3.21Å; R382-F387 HydrophobicContact CB-CE2 4.07Å
383	S	89.8	Confident	89.7	Confident	57 Å²	57	57.7 Å²	57.7	40%	0.399	28%	0.281	S	S	.	.			trans	-67.5	129.6	172.6	-178.8	0	0	0	0	110.5	E385 E386 F387	S383-E385 PolarHBondContact O-N 3.12Å; S383-E385 PolarHBondContact OG-N 3.24Å; S383-E386 PolarHBondContact N-OE1 2.9Å; S383-E386 WeakPolarHBondContact O-CB 3.36Å; S383-E386 PolarHBondContact O-N 2.75Å; S383-F387 WeakPolarHBondContact O-CD2 3.49Å
384	I	92	Very high	89.1	Confident	21 Å²	21	61 Å²	61	11%	0.108	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-62.1	-22.7	173.2	-167.9	168.2	0	0	0	112.2	V377 R382 E386 F387 L389 E404 G405 V488	V377-I384 HydrophobicContact CG1-CB 4.49Å; V377-I384 HydrophobicContact CG2-CB 4.2Å; V377-I384 HydrophobicContact CG2-CG1 4.45Å; R382-I384 PolarHBondContact O-N 3.37Å; I384-E386 VanDerWaalsContact C-N 3.26Å; I384-E386 PolarHBondContact O-N 3.29Å; I384-F387 PolarHBondContact O-N 2.83Å; I384-L389 HydrophobicContact CD1-CD2 3.74Å; I384-L389 HydrophobicContact CG1-CD2 3.83Å; I384-E404 HydrophobicContact CG2-CB 4.38Å; I384-G405 WeakPolarHBondContact O-CA 3.09Å; I384-V488 HydrophobicContact CD1-CB 4.01Å; I384-V488 HydrophobicContact CD1-CG2 4.18Å; I384-V488 VanDerWaalsContact CD1-O 3.23Å; I384-V488 WeakPolarHBondContact CD1-O 3.42Å
385	E	91.6	Very high	88.3	Confident	92 Å²	92	68.5 Å²	68.5	43%	0.43	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-71.2	-16.9	178.7	-54.5	-156.8	127.8	0	0	113.6	S383 F387 A396 R492	S383-E385 PolarHBondContact O-N 3.12Å; S383-E385 PolarHBondContact OG-N 3.24Å; E385-F387 PolarHBondContact O-N 2.91Å; E385-A396 WeakPolarHBondContact O-CB 3.44Å; E385-R492 IonicContact OE1-CZ 2.79Å; E385-R492 IonicContact OE1-NH1 3.81Å; E385-R492 PolarHBondContact OE1-NH1 2.66Å; E385-R492 IonicContact OE1-NH2 2.84Å; E385-R492 PolarHBondContact OE1-NH2 2.86Å
386	E	90.6	Very high	87.8	Confident	75 Å²	75	67.1 Å²	67.1	35%	0.35	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-66.3	-19.9	171.1	-69.3	168.5	-135.3	0	0	112.8	R382 S383 I384 R395 A396	R382-E386 IonicContact CZ-OE2 3.85Å; R382-E386 IonicContact NH1-OE2 2.76Å; R382-E386 PolarHBondContact NH1-OE2 3.21Å; S383-E386 PolarHBondContact N-OE1 2.9Å; S383-E386 WeakPolarHBondContact O-CB 3.36Å; S383-E386 PolarHBondContact O-N 2.75Å; I384-E386 VanDerWaalsContact C-N 3.26Å; I384-E386 PolarHBondContact O-N 3.29Å; E386-R395 PolarHBondContact O-N 2.96Å; E386-A396 PolarHBondContact O-N 2.85Å; E386-A396 VanDerWaalsContact O-N 3.12Å
387	F	94.2	Very high	87.5	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-117.5	150.6	-167.7	-58.8	-95.2	0	0	0	113.4	M373 E376 V377 R382 S383 I384 E385 L389 M394 G406	M373-F387 HydrophobicContact CB-CD1 4.01Å; M373-F387 HydrophobicContact CB-CE1 4.41Å; M373-F387 HydrophobicContact CB-CG 4.4Å; M373-F387 HydrophobicContact CG-CB 3.64Å; M373-F387 HydrophobicContact CG-CD1 3.76Å; M373-F387 HydrophobicContact CG-CD2 4.2Å; M373-F387 HydrophobicContact CG-CE1 4.42Å; M373-F387 HydrophobicContact CG-CG 3.63Å; M373-F387 HydrophobicContact SD-CB 3.48Å; M373-F387 WeakPolarHBondContact SD-CB 3.44Å; M373-F387 HydrophobicContact SD-CG 4.19Å; E376-F387 HydrophobicContact CB-CZ 4.02Å; E376-F387 HydrophobicContact CG-CZ 4.43Å; V377-F387 HydrophobicContact CG2-CD2 4.35Å; V377-F387 HydrophobicContact CG2-CE2 4.28Å; R382-F387 HydrophobicContact CB-CE2 4.07Å; S383-F387 WeakPolarHBondContact O-CD2 3.49Å; I384-F387 PolarHBondContact O-N 2.83Å; E385-F387 PolarHBondContact O-N 2.91Å; F387-L389 PolarHBondContact O-N 3.06Å; F387-M394 HydrophobicContact CD1-CB 3.95Å; F387-M394 HydrophobicContact CD1-CG 4.26Å; F387-M394 HydrophobicContact CE1-CB 3.95Å; F387-M394 HydrophobicContact CE1-CE 3.7Å; F387-M394 HydrophobicContact CE1-CG 4.02Å; F387-M394 HydrophobicContact CZ-CE 3.85Å; F387-M394 HydrophobicContact CZ-CG 4.47Å; F387-G406 CarbonylContact O-C 3.53Å; F387-G406 VanDerWaalsContact O-CA 3.25Å; F387-G406 WeakPolarHBondContact O-CA 3.25Å; F387-G406 PolarHBondContact O-N 2.84Å
388	C	94.1	Very high	87.3	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	34%	0.342	C	S	.	.	B	Isolated β-bridge	trans	-82.3	109.5	174.5	-177.4	0	0	0	0	111.7	S390 C391 G392 K393 G406 C408	C388-S390 PolarHBondContact O-N 3.18Å; C388-S390 VanDerWaalsContact O-N 3.12Å; C388-C391 PolarHBondContact O-N 3.04Å; C388-C391 VanDerWaalsContact O-N 3.13Å; C388-G392 PolarHBondContact O-N 3.35Å; C388-K393 WeakPolarHBondContact CB-O 3.44Å; C388-K393 PolarHBondContact N-O 2.62Å; C388-G406 WeakPolarHBondContact CA-O 3.28Å; C388-C408 HydrophobicContact CB-CB 3.97Å; C388-C408 PolarHBondContact SG-N 3.11Å
389	L	93.9	Very high	87.4	Confident	1 Å²	1	65.7 Å²	65.7	1%	0.005	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-33.7	179.6	-65.6	-175.2	0	0	0	113.1	I384 F387 H400 F403 G406 V433	I384-L389 HydrophobicContact CD1-CD2 3.74Å; I384-L389 HydrophobicContact CG1-CD2 3.83Å; F387-L389 PolarHBondContact O-N 3.06Å; L389-H400 HydrophobicContact CD1-CB 3.83Å; L389-H400 HydrophobicContact CG-CB 4.46Å; L389-F403 HydrophobicContact CD1-CB 3.81Å; L389-G406 PolarHBondContact N-O 2.94Å; L389-V433 HydrophobicContact CB-CG1 4.13Å; L389-V433 HydrophobicContact CD1-CG1 4.49Å
390	S	90.4	Very high	87.7	Confident	14 Å²	14	58.3 Å²	58.3	10%	0.098	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-27.2	-178	-49.6	0	0	0	0	114.2	C388 L407	C388-S390 PolarHBondContact O-N 3.18Å; C388-S390 VanDerWaalsContact O-N 3.12Å; S390-L407 WeakPolarHBondContact OG-CD2 3.13Å
391	C	90.6	Very high	88	Confident	43 Å²	43	52 Å²	52	29%	0.291	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-144.8	3.4	-171.1	70.4	0	0	0	0	117.1	C388 K393 C408 C411	C388-C391 PolarHBondContact O-N 3.04Å; C388-C391 VanDerWaalsContact O-N 3.13Å; C391-K393 PolarHBondContact O-N 3.09Å; C391-C408 VanDerWaalsContact SG-SG 3.64Å; C391-C411 VanDerWaalsContact SG-SG 3.61Å
392	G	89.4	Confident	88.5	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.228	C	C	.	.			trans	79.6	-15	175	0	0	0	0	0	115.7	C368 C388 M394	C368-G392 CarbonylContact O-C 3.59Å; C388-G392 PolarHBondContact O-N 3.35Å; G392-M394 PolarHBondContact O-N 2.7Å
393	K	89.6	Confident	88.9	Confident	125 Å²	125	40.1 Å²	40.1	54%	0.543	21%	0.21	S	C	.	.			trans	-58.5	125.7	179.2	-67.5	-175.3	179.3	-175.7	0	111.7	C388 C391	C388-K393 WeakPolarHBondContact CB-O 3.44Å; C388-K393 PolarHBondContact N-O 2.62Å; C391-K393 PolarHBondContact O-N 3.09Å
394	M	78.3	Confident	89.1	Confident	70 Å²	70	39.4 Å²	39.4	35%	0.345	20%	0.201	S	C	.	.	B	Isolated β-bridge	trans	-62.4	154.8	162	-162.6	-174.4	-67.2	0	0	109.9	F387 G392	F387-M394 HydrophobicContact CD1-CB 3.95Å; F387-M394 HydrophobicContact CD1-CG 4.26Å; F387-M394 HydrophobicContact CE1-CB 3.95Å; F387-M394 HydrophobicContact CE1-CE 3.7Å; F387-M394 HydrophobicContact CE1-CG 4.02Å; F387-M394 HydrophobicContact CZ-CE 3.85Å; F387-M394 HydrophobicContact CZ-CG 4.47Å; G392-M394 PolarHBondContact O-N 2.7Å
395	R	74.9	Confident	89.2	Confident	172 Å²	172	38.4 Å²	38.4	65%	0.649	20%	0.196	S	C	*	.			trans	73.1	71.7	-166.5	-50.8	179.7	-176.7	169.6	2.4	112.5	P348 E386	P348-R395 PolarHBondContact O-NH1 3.49Å; E386-R395 PolarHBondContact O-N 2.96Å
396	A	79	Confident	89.3	Confident	34 Å²	34	34.1 Å²	34.1	28%	0.281	18%	0.176	S	C	.	.			trans	-57.3	142.2	156.8	0	0	0	0	0	111	E385 E386	E385-A396 WeakPolarHBondContact O-CB 3.44Å; E386-A396 PolarHBondContact O-N 2.85Å; E386-A396 VanDerWaalsContact O-N 3.12Å
397	A	80.9	Confident	89.3	Confident	64 Å²	64	30.5 Å²	30.5	53%	0.529	16%	0.159	S	C	.	.	S	Bend	trans	-101.8	-16.6	174.9	0	0	0	0	0	112.1	L407 Q409	A397-L407 PolarHBondContact N-O 3.07Å; A397-Q409 HydrophobicContact CB-CB 4.18Å
398	T	86.4	Confident	89.1	Confident	35 Å²	35	31.1 Å²	31.1	22%	0.215	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	173.8	174.2	-167.9	0	0	0	0	109.3	G406 L407 K412 F502	T398-G406 CarbonylContact O-C 3.47Å; T398-G406 WeakPolarHBondContact O-CA 3.28Å; T398-L407 HydrophobicContact CG2-CB 4.08Å; T398-L407 PolarHBondContact N-O 3.28Å; T398-L407 VanDerWaalsContact N-O 3.1Å; T398-L407 PolarHBondContact O-N 2.93Å; T398-K412 HydrophobicContact CG2-CB 4.13Å; T398-K412 HydrophobicContact CG2-CD 3.75Å; T398-K412 HydrophobicContact CG2-CG 3.9Å; T398-F502 HydrophobicContact CG2-CD2 4.39Å; T398-F502 HydrophobicContact CG2-CE2 3.76Å
399	F	91.4	Very high	88.5	Confident	39 Å²	39	35.5 Å²	35.5	17%	0.171	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	153.8	175.4	57.8	-96.4	0	0	0	111.6	P401 K498 E501 F502	F399-P401 HydrophobicContact CE2-CB 4.4Å; F399-K498 HydrophobicContact CD1-CD 4.34Å; F399-K498 HydrophobicContact CD2-CB 4.26Å; F399-K498 HydrophobicContact CD2-CD 3.94Å; F399-K498 HydrophobicContact CE1-CD 4.09Å; F399-K498 HydrophobicContact CE2-CB 3.78Å; F399-K498 HydrophobicContact CE2-CD 3.69Å; F399-K498 HydrophobicContact CE2-CG 4.31Å; F399-K498 VanDerWaalsContact CE2-O 3.31Å; F399-K498 WeakPolarHBondContact CE2-O 3.19Å; F399-K498 HydrophobicContact CG-CD 4.27Å; F399-K498 HydrophobicContact CZ-CB 4.46Å; F399-K498 HydrophobicContact CZ-CD 3.77Å; F399-E501 HydrophobicContact CE1-CG 4.23Å; F399-E501 WeakPolarHBondContact CE1-OE1 3.48Å; F399-E501 HydrophobicContact CZ-CB 4.08Å; F399-E501 HydrophobicContact CZ-CG 3.92Å; F399-F502 HydrophobicContact CE2-CB 4.05Å; F399-F502 HydrophobicContact CE2-CD2 4.14Å; F399-F502 HydrophobicContact CZ-CB 4.28Å
400	H	93.3	Very high	87.8	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.212	C	C	.	.			trans	-77.2	126.4	163.7	-172.7	-71.2	0	0	0	109	L389 L402 F403 G405 L407 Y415 V433 R492	L389-H400 HydrophobicContact CD1-CB 3.83Å; L389-H400 HydrophobicContact CG-CB 4.46Å; H400-L402 PolarHBondContact ND1-N 2.96Å; H400-L402 PolarHBondContact O-N 3.43Å; H400-F403 AromaticContact CE1-CD2 3.76Å; H400-F403 PolarHBondContact ND1-N 3.21Å; H400-G405 WeakPolarHBondContact CB-O 3.43Å; H400-G405 PolarHBondContact N-O 3.27Å; H400-L407 HydrophobicContact CB-CD1 4.44Å; H400-L407 HydrophobicContact CB-CG 4.1Å; H400-Y415 AromaticContact CE1-CE2 3.92Å; H400-Y415 AromaticContact NE2-CE2 3.68Å; H400-V433 PolarHBondContact NE2-O 3.11Å; H400-V433 VanDerWaalsContact NE2-O 3.08Å; H400-R492 PolarHBondContact O-NE 3.47Å
401	P	87.9	Confident	87.5	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.214	C	C	.	.	S	Bend	trans	-66.3	-34.4	-168.8	21.8	-31.9	0	0	0	114.3	F399 Y415 K498 L499 F502	F399-P401 HydrophobicContact CE2-CB 4.4Å; P401-Y415 HydrophobicContact CG-CD1 4.4Å; P401-Y415 HydrophobicContact CG-CE1 3.67Å; P401-Y415 HydrophobicContact CG-CE2 4.34Å; P401-K498 WeakPolarHBondContact O-CB 3.5Å; P401-L499 HydrophobicContact CB-CB 4.3Å; P401-L499 HydrophobicContact CB-CD1 3.89Å; P401-L499 HydrophobicContact CG-CD1 4.12Å; P401-F502 HydrophobicContact CB-CB 4.05Å; P401-F502 HydrophobicContact CB-CD2 4.35Å; P401-F502 HydrophobicContact CB-CG 4.13Å; P401-F502 HydrophobicContact CG-CB 4.49Å; P401-F502 HydrophobicContact CG-CD1 4.21Å; P401-F502 HydrophobicContact CG-CD2 4.17Å; P401-F502 HydrophobicContact CG-CE1 4.46Å; P401-F502 HydrophobicContact CG-CE2 4.42Å; P401-F502 HydrophobicContact CG-CG 4.05Å
402	L	93	Very high	87	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.206	C	C	.	.	S	Bend	trans	-95.1	-21	-173.8	-54.5	179.9	0	0	0	115.4	H400 Y415 T432 M479 R492 W495 L499	H400-L402 PolarHBondContact ND1-N 2.96Å; H400-L402 PolarHBondContact O-N 3.43Å; L402-Y415 VanDerWaalsContact CD1-OH 3.28Å; L402-Y415 WeakPolarHBondContact CD1-OH 3.32Å; L402-Y415 WeakPolarHBondContact CG-OH 3.39Å; L402-T432 HydrophobicContact CD1-CG2 3.42Å; L402-T432 VanDerWaalsContact CD1-CG2 3.42Å; L402-M479 HydrophobicContact CB-CE 4.25Å; L402-M479 HydrophobicContact CB-SD 4.01Å; L402-M479 HydrophobicContact CD1-SD 4.45Å; L402-M479 HydrophobicContact CD2-CE 4.06Å; L402-R492 PolarHBondContact O-N 3.06Å; L402-R492 VanDerWaalsContact O-N 3.08Å; L402-W495 HydrophobicContact CD2-CD2 4.46Å; L402-W495 HydrophobicContact CD2-CE3 3.53Å; L402-W495 HydrophobicContact CD2-CZ3 4.06Å; L402-L499 HydrophobicContact CD2-CD1 4.11Å; L402-L499 HydrophobicContact CD2-CD2 4.11Å; L402-L499 HydrophobicContact CD2-CG 4.49Å
403	F	95.9	Very high	86	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-139.8	148.2	-165.3	-70.3	-76.7	0	0	0	110.2	L389 H400 G405 T432 V433 F452 M479 L489 K490 R491 R492	L389-F403 HydrophobicContact CD1-CB 3.81Å; H400-F403 AromaticContact CE1-CD2 3.76Å; H400-F403 PolarHBondContact ND1-N 3.21Å; F403-G405 PolarHBondContact O-N 3.39Å; F403-T432 HydrophobicContact CE2-CG2 4.48Å; F403-V433 HydrophobicContact CD2-CG2 3.97Å; F403-V433 HydrophobicContact CE2-CG2 3.73Å; F403-V433 HydrophobicContact CZ-CG2 4.44Å; F403-F452 HydrophobicContact CE2-CE1 4.12Å; F403-F452 HydrophobicContact CE2-CZ 4.15Å; F403-F452 AromaticContact CZ-CE1 3.85Å; F403-F452 HydrophobicContact CZ-CE1 3.85Å; F403-F452 AromaticContact CZ-CZ 3.83Å; F403-F452 HydrophobicContact CZ-CZ 3.83Å; F403-M479 HydrophobicContact CE1-SD 4.22Å; F403-M479 HydrophobicContact CE2-CG 4.49Å; F403-M479 HydrophobicContact CE2-SD 3.9Å; F403-M479 HydrophobicContact CZ-CG 4.09Å; F403-M479 HydrophobicContact CZ-SD 3.58Å; F403-M479 VanDerWaalsContact CZ-SD 3.58Å; F403-L489 HydrophobicContact CB-CD1 4.09Å; F403-L489 HydrophobicContact CD1-CD1 3.54Å; F403-L489 HydrophobicContact CD1-CD2 4.35Å; F403-L489 HydrophobicContact CD1-CG 3.71Å; F403-L489 HydrophobicContact CD2-CD1 4.26Å; F403-L489 HydrophobicContact CE1-CD1 4.02Å; F403-L489 HydrophobicContact CE1-CD2 3.99Å; F403-L489 HydrophobicContact CE1-CG 3.82Å; F403-L489 HydrophobicContact CG-CD1 3.7Å; F403-L489 HydrophobicContact CG-CG 4.38Å; F403-L489 HydrophobicContact CZ-CD2 4.35Å; F403-K490 CarbonylContact C-O 3.58Å; F403-K490 WeakPolarHBondContact CA-O 3.26Å; F403-R491 HydrophobicContact CD1-CB 4.33Å; F403-R491 HydrophobicContact CE1-CB 4.15Å; F403-R492 PolarHBondContact O-NE 3.37Å; F403-R492 PolarHBondContact O-NH2 3.22Å
404	E	94.8	Very high	85.1	Confident	43 Å²	43	39.6 Å²	39.6	20%	0.201	21%	0.213	C	C	.	.	S	Bend	trans	-66.7	127.4	174.3	-68.6	175.8	-165.7	0	0	109.2	I384 K490 R492	I384-E404 HydrophobicContact CG2-CB 4.38Å; E404-K490 HydrophobicContact CB-CB 4.4Å; E404-K490 PolarHBondContact N-O 2.84Å; E404-K490 IonicContact OE1-NZ 3.59Å; E404-K490 PolarHBondContact OE1-NZ 2.83Å; E404-K490 VanDerWaalsContact OE2-CD 3.32Å; E404-K490 WeakPolarHBondContact OE2-CD 3.39Å; E404-K490 IonicContact OE2-NZ 2.67Å; E404-K490 PolarHBondContact OE2-NZ 2.92Å; E404-R492 HydrophobicContact CG-CG 3.86Å
405	G	93.5	Very high	84.9	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.198	C	C	.	.	S	Bend	trans	129.5	170.1	-163.2	0	0	0	0	0	112.5	I384 H400 F403 R492	I384-G405 WeakPolarHBondContact O-CA 3.09Å; H400-G405 WeakPolarHBondContact CB-O 3.43Å; H400-G405 PolarHBondContact N-O 3.27Å; F403-G405 PolarHBondContact O-N 3.39Å; G405-R492 PolarHBondContact O-NH2 3.25Å
406	G	93.7	Very high	84.4	Confident	1 Å²	1	28.4 Å²	28.4	1%	0.01	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	178.6	-174.9	0	0	0	0	0	115.2	F387 C388 L389 T398	F387-G406 CarbonylContact O-C 3.53Å; F387-G406 VanDerWaalsContact O-CA 3.25Å; F387-G406 WeakPolarHBondContact O-CA 3.25Å; F387-G406 PolarHBondContact O-N 2.84Å; C388-G406 WeakPolarHBondContact CA-O 3.28Å; L389-G406 PolarHBondContact N-O 2.94Å; T398-G406 CarbonylContact O-C 3.47Å; T398-G406 WeakPolarHBondContact O-CA 3.28Å
407	L	90.3	Very high	83.6	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	127.8	169.6	-74.9	173.1	0	0	0	109.3	S390 A397 T398 H400 C411 Y415 F502	S390-L407 WeakPolarHBondContact OG-CD2 3.13Å; A397-L407 PolarHBondContact N-O 3.07Å; T398-L407 HydrophobicContact CG2-CB 4.08Å; T398-L407 PolarHBondContact N-O 3.28Å; T398-L407 VanDerWaalsContact N-O 3.1Å; T398-L407 PolarHBondContact O-N 2.93Å; H400-L407 HydrophobicContact CB-CD1 4.44Å; H400-L407 HydrophobicContact CB-CG 4.1Å; L407-C411 HydrophobicContact CD2-CB 3.94Å; L407-Y415 HydrophobicContact CD1-CD2 4.24Å; L407-Y415 HydrophobicContact CD1-CG 4.29Å; L407-F502 HydrophobicContact CD1-CE2 3.71Å; L407-F502 HydrophobicContact CD1-CZ 3.71Å
408	C	89.1	Confident	82.9	Confident	13 Å²	13	27.4 Å²	27.4	9%	0.088	15%	0.146	C	C	.	.			trans	-75.3	159.1	167.5	71.1	0	0	0	0	110.2	C388 C391 T410 C411 K412	C388-C408 HydrophobicContact CB-CB 3.97Å; C388-C408 PolarHBondContact SG-N 3.11Å; C391-C408 VanDerWaalsContact SG-SG 3.64Å; C408-T410 PolarHBondContact O-N 3.26Å; C408-C411 CarbonylContact O-C 3.6Å; C408-C411 WeakPolarHBondContact O-CA 3.45Å; C408-C411 PolarHBondContact O-N 3.37Å; C408-C411 VanDerWaalsContact SG-SG 3.69Å; C408-K412 PolarHBondContact O-N 2.93Å
409	Q	81.7	Confident	82.1	Confident	91 Å²	91	26.1 Å²	26.1	43%	0.425	14%	0.138	S	C	.	.	H	α-helix	trans	-52.2	-47.9	-169.2	-177.3	55.9	40.6	0	0	113.5	A397 C411 K412 D413	A397-Q409 HydrophobicContact CB-CB 4.18Å; Q409-C411 VanDerWaalsContact C-N 3.28Å; Q409-C411 PolarHBondContact O-N 3.29Å; Q409-K412 WeakPolarHBondContact O-CB 3.36Å; Q409-K412 PolarHBondContact O-N 2.71Å; Q409-K412 VanDerWaalsContact O-N 3.11Å; Q409-D413 PolarHBondContact NE2-OD1 2.73Å; Q409-D413 PolarHBondContact NE2-OD2 2.85Å; Q409-D413 PolarHBondContact O-N 3.2Å; Q409-D413 VanDerWaalsContact O-OD2 3.12Å
410	T	80.1	Confident	81.1	Confident	98 Å²	98	24.8 Å²	24.8	60%	0.601	13%	0.132	S	C	*	.	H	α-helix	trans	-58.9	-37.7	177.5	-43.1	0	0	0	0	112.9	C408 V414	C408-T410 PolarHBondContact O-N 3.26Å; T410-V414 WeakPolarHBondContact O-CG2 3.25Å; T410-V414 PolarHBondContact O-N 3.44Å; T410-V414 VanDerWaalsContact O-N 3.16Å
411	C	83.3	Confident	79.7	Confident	22 Å²	22	25.6 Å²	25.6	15%	0.149	14%	0.136	C	C	.	.	H	α-helix	trans	-78.9	-28	178.1	-65.1	0	0	0	0	112.3	C391 L407 C408 Q409 Y415	C391-C411 VanDerWaalsContact SG-SG 3.61Å; L407-C411 HydrophobicContact CD2-CB 3.94Å; C408-C411 CarbonylContact O-C 3.6Å; C408-C411 WeakPolarHBondContact O-CA 3.45Å; C408-C411 PolarHBondContact O-N 3.37Å; C408-C411 VanDerWaalsContact SG-SG 3.69Å; Q409-C411 VanDerWaalsContact C-N 3.28Å; Q409-C411 PolarHBondContact O-N 3.29Å; C411-Y415 WeakPolarHBondContact O-CB 3.48Å; C411-Y415 PolarHBondContact O-N 2.61Å
412	K	80.2	Confident	78.7	Confident	27 Å²	27	26.8 Å²	26.8	12%	0.117	14%	0.141	C	C	.	.	H	α-helix	trans	-59.5	-52.2	167	-178.1	-169.1	-178	174.3	0	110.1	T398 C408 Q409 V414 Y415 L416 F502	T398-K412 HydrophobicContact CG2-CB 4.13Å; T398-K412 HydrophobicContact CG2-CD 3.75Å; T398-K412 HydrophobicContact CG2-CG 3.9Å; C408-K412 PolarHBondContact O-N 2.93Å; Q409-K412 WeakPolarHBondContact O-CB 3.36Å; Q409-K412 PolarHBondContact O-N 2.71Å; Q409-K412 VanDerWaalsContact O-N 3.11Å; K412-V414 PolarHBondContact O-N 2.66Å; K412-Y415 PolarHBondContact O-N 3.07Å; K412-Y415 VanDerWaalsContact O-N 3.16Å; K412-L416 HydrophobicContact CG-CD1 3.93Å; K412-L416 WeakPolarHBondContact O-CD1 3.45Å; K412-L416 VanDerWaalsContact O-CG 3.27Å; K412-L416 WeakPolarHBondContact O-CG 3.46Å; K412-L416 PolarHBondContact O-N 3.08Å; K412-F502 HydrophobicContact CB-CZ 4.45Å; K412-F502 HydrophobicContact CG-CE2 3.99Å; K412-F502 HydrophobicContact CG-CZ 3.73Å
413	D	68.6	Low	77.6	Confident	70 Å²	70	29.6 Å²	29.6	37%	0.374	16%	0.156	S	C	.	.	H	α-helix	trans	-61	-44.7	-177	-64.2	-37.2	0	0	0	112	Q409 L416 E417	Q409-D413 PolarHBondContact NE2-OD1 2.73Å; Q409-D413 PolarHBondContact NE2-OD2 2.85Å; Q409-D413 PolarHBondContact O-N 3.2Å; Q409-D413 VanDerWaalsContact O-OD2 3.12Å; D413-L416 PolarHBondContact O-N 3.45Å; D413-E417 PolarHBondContact O-N 2.98Å
414	V	70.3	Confident	76	Confident	53 Å²	53	35.3 Å²	35.3	32%	0.321	19%	0.187	S	C	.	.	H	α-helix	trans	-63	-43	173.3	171	0	0	0	0	112	T410 K412 L416 E417 I418 C435	T410-V414 WeakPolarHBondContact O-CG2 3.25Å; T410-V414 PolarHBondContact O-N 3.44Å; T410-V414 VanDerWaalsContact O-N 3.16Å; K412-V414 PolarHBondContact O-N 2.66Å; V414-L416 VanDerWaalsContact C-N 3.33Å; V414-L416 PolarHBondContact O-N 3.49Å; V414-E417 PolarHBondContact O-N 3.22Å; V414-I418 HydrophobicContact CG1-CD1 3.82Å; V414-I418 HydrophobicContact CG1-CG1 4.26Å; V414-I418 PolarHBondContact O-N 3.25Å; V414-C435 HydrophobicContact CG1-CB 4.1Å
415	Y	74.4	Confident	75	Confident	4 Å²	4	36.1 Å²	36.1	2%	0.016	19%	0.192	C	C	.	.	H	α-helix	trans	-60.9	-43.5	179.9	-169.8	-72.5	0	0	0	111.3	H400 P401 L402 L407 C411 K412 E417 S419 C435 F502	H400-Y415 AromaticContact CE1-CE2 3.92Å; H400-Y415 AromaticContact NE2-CE2 3.68Å; P401-Y415 HydrophobicContact CG-CD1 4.4Å; P401-Y415 HydrophobicContact CG-CE1 3.67Å; P401-Y415 HydrophobicContact CG-CE2 4.34Å; L402-Y415 VanDerWaalsContact CD1-OH 3.28Å; L402-Y415 WeakPolarHBondContact CD1-OH 3.32Å; L402-Y415 WeakPolarHBondContact CG-OH 3.39Å; L407-Y415 HydrophobicContact CD1-CD2 4.24Å; L407-Y415 HydrophobicContact CD1-CG 4.29Å; C411-Y415 WeakPolarHBondContact O-CB 3.48Å; C411-Y415 PolarHBondContact O-N 2.61Å; K412-Y415 PolarHBondContact O-N 3.07Å; K412-Y415 VanDerWaalsContact O-N 3.16Å; Y415-E417 VanDerWaalsContact C-N 3.31Å; Y415-E417 PolarHBondContact O-N 3.29Å; Y415-S419 VanDerWaalsContact CE1-CB 3.49Å; Y415-S419 WeakPolarHBondContact O-CB 3.24Å; Y415-S419 PolarHBondContact O-N 3.41Å; Y415-S419 PolarHBondContact O-OG 3.1Å; Y415-C435 HydrophobicContact CD2-CB 4.49Å; Y415-C435 WeakPolarHBondContact CD2-SG 3.49Å; Y415-F502 HydrophobicContact CD1-CD1 4.4Å; Y415-F502 AromaticContact CD1-CE1 3.57Å; Y415-F502 HydrophobicContact CD1-CE1 3.57Å; Y415-F502 HydrophobicContact CD1-CZ 4.02Å; Y415-F502 HydrophobicContact CE1-CE1 4.19Å; Y415-F502 HydrophobicContact CG-CE1 4.29Å; Y415-F502 HydrophobicContact CG-CZ 4.32Å
416	L	65.1	Low	73.8	Confident	3 Å²	3	37 Å²	37	2%	0.016	20%	0.201	C	C	.	.	H	α-helix	trans	-60.7	-40.1	177.3	-67.4	159.2	0	0	0	112.1	K412 D413 V414 F502 F503 C701 R703	K412-L416 HydrophobicContact CG-CD1 3.93Å; K412-L416 WeakPolarHBondContact O-CD1 3.45Å; K412-L416 VanDerWaalsContact O-CG 3.27Å; K412-L416 WeakPolarHBondContact O-CG 3.46Å; K412-L416 PolarHBondContact O-N 3.08Å; D413-L416 PolarHBondContact O-N 3.45Å; V414-L416 VanDerWaalsContact C-N 3.33Å; V414-L416 PolarHBondContact O-N 3.49Å; L416-F502 HydrophobicContact CD2-CD1 3.74Å; L416-F502 HydrophobicContact CD2-CE1 3.44Å; L416-F502 VanDerWaalsContact CD2-CE1 3.44Å; L416-F502 HydrophobicContact CD2-CZ 4.41Å; L416-F502 HydrophobicContact CG-CD1 4.5Å; L416-F502 HydrophobicContact CG-CE1 3.72Å; L416-F502 HydrophobicContact CG-CZ 4.34Å; L416-F503 HydrophobicContact CD2-CD1 3.6Å; L416-F503 HydrophobicContact CD2-CE1 3.48Å; L416-F503 VanDerWaalsContact CD2-CE1 3.48Å; L416-F503 HydrophobicContact CD2-CG 4.41Å; L416-F503 HydrophobicContact CD2-CZ 4.18Å; L416-C701 HydrophobicContact CD1-CB 3.6Å; L416-C701 WeakPolarHBondContact CD1-SG 3.19Å; L416-C701 HydrophobicContact CD2-CB 3.9Å; L416-C701 HydrophobicContact CG-CB 4.32Å; L416-R703 WeakPolarHBondContact O-CG 3.37Å
417	E	62.4	Low	73.1	Confident	60 Å²	60	39.5 Å²	39.5	28%	0.28	21%	0.211	S	C	.	.	H	α-helix	trans	-65.6	-53.6	178.2	-174.1	164.6	-145.3	0	0	112.2	D413 V414 Y415 R703 P704 C706	D413-E417 PolarHBondContact O-N 2.98Å; V414-E417 PolarHBondContact O-N 3.22Å; Y415-E417 VanDerWaalsContact C-N 3.31Å; Y415-E417 PolarHBondContact O-N 3.29Å; E417-R703 PolarHBondContact O-NE 2.88Å; E417-R703 PolarHBondContact O-NH2 3.17Å; E417-P704 HydrophobicContact CB-CB 4.08Å; E417-P704 HydrophobicContact CB-CG 4.05Å; E417-P704 HydrophobicContact CG-CB 3.81Å; E417-P704 HydrophobicContact CG-CG 4.34Å; E417-C706 HydrophobicContact CG-CB 4.36Å; E417-C706 PolarHBondContact OE1-SG 3.21Å
418	I	66.1	Low	72.3	Confident	17 Å²	17	39.7 Å²	39.7	9%	0.087	21%	0.212	C	C	.	.	H	α-helix	trans	-112.1	-6	-163.2	75.6	-171.4	0	0	0	116.9	V414 Y420 M421 Y430 C435	V414-I418 HydrophobicContact CG1-CD1 3.82Å; V414-I418 HydrophobicContact CG1-CG1 4.26Å; V414-I418 PolarHBondContact O-N 3.25Å; I418-Y420 VanDerWaalsContact C-N 3.3Å; I418-Y420 PolarHBondContact O-N 2.92Å; I418-M421 HydrophobicContact CB-CE 3.84Å; I418-M421 HydrophobicContact CG2-CE 3.42Å; I418-M421 VanDerWaalsContact CG2-CE 3.42Å; I418-M421 PolarHBondContact O-N 3.23Å; I418-Y430 HydrophobicContact CB-CD2 3.74Å; I418-Y430 HydrophobicContact CB-CE2 4.02Å; I418-Y430 HydrophobicContact CB-CG 4.41Å; I418-Y430 HydrophobicContact CD1-CD1 3.79Å; I418-Y430 HydrophobicContact CD1-CD2 3.76Å; I418-Y430 HydrophobicContact CD1-CE1 4.1Å; I418-Y430 HydrophobicContact CD1-CE2 4.14Å; I418-Y430 HydrophobicContact CD1-CG 3.61Å; I418-Y430 HydrophobicContact CG1-CD2 3.84Å; I418-Y430 HydrophobicContact CG1-CE2 4.43Å; I418-Y430 HydrophobicContact CG1-CG 4Å; I418-Y430 HydrophobicContact CG2-CE2 4.42Å; I418-C435 HydrophobicContact CD1-CB 4.02Å; I418-C435 WeakPolarHBondContact CD1-O 3.3Å; I418-C435 HydrophobicContact CG1-CB 3.72Å
419	S	69.3	Low	71.4	Confident	7 Å²	7	39.5 Å²	39.5	5%	0.049	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-30.9	-179.3	52.9	0	0	0	0	115.2	Y415 Q428	Y415-S419 VanDerWaalsContact CE1-CB 3.49Å; Y415-S419 WeakPolarHBondContact O-CB 3.24Å; Y415-S419 PolarHBondContact O-N 3.41Å; Y415-S419 PolarHBondContact O-OG 3.1Å; S419-Q428 PolarHBondContact O-NE2 3.13Å
420	Y	69.9	Low	71.4	Confident	12 Å²	12	37.9 Å²	37.9	5%	0.047	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109	32.7	172.6	-57.8	-68.6	0	0	0	112.2	I418 L499 F503 R703 P804	I418-Y420 VanDerWaalsContact C-N 3.3Å; I418-Y420 PolarHBondContact O-N 2.92Å; Y420-L499 WeakPolarHBondContact OH-CD2 3.13Å; Y420-F503 HydrophobicContact CD2-CE2 4.38Å; Y420-F503 AromaticContact CD2-CZ 3.96Å; Y420-F503 HydrophobicContact CD2-CZ 3.96Å; Y420-F503 HydrophobicContact CE2-CD2 4.23Å; Y420-F503 HydrophobicContact CE2-CE1 4.25Å; Y420-F503 AromaticContact CE2-CE2 3.46Å; Y420-F503 HydrophobicContact CE2-CE2 3.46Å; Y420-F503 VanDerWaalsContact CE2-CE2 3.46Å; Y420-F503 AromaticContact CE2-CZ 3.47Å; Y420-F503 HydrophobicContact CE2-CZ 3.47Å; Y420-F503 VanDerWaalsContact CE2-CZ 3.47Å; Y420-R703 PolarHBondContact O-NH1 3.41Å; Y420-R703 PolarHBondContact O-NH2 3.04Å; Y420-R703 VanDerWaalsContact O-NH2 3.07Å; Y420-P804 HydrophobicContact CD1-CB 4.36Å; Y420-P804 HydrophobicContact CD2-CB 4.38Å; Y420-P804 HydrophobicContact CD2-CG 4.11Å; Y420-P804 HydrophobicContact CE1-CB 4.33Å; Y420-P804 HydrophobicContact CE2-CB 4.33Å; Y420-P804 HydrophobicContact CE2-CG 4.46Å; Y420-P804 HydrophobicContact CG-CB 4.38Å; Y420-P804 HydrophobicContact CG-CG 4.19Å
421	M	63.3	Low	71.8	Confident	17 Å²	17	33.2 Å²	33.2	8%	0.084	17%	0.172	C	C	.	.			trans	-86.9	140.6	160.9	-76.9	-146.1	-79	0	0	108.9	I418 Q428 S429 Y430 R703 C706	I418-M421 HydrophobicContact CB-CE 3.84Å; I418-M421 HydrophobicContact CG2-CE 3.42Å; I418-M421 VanDerWaalsContact CG2-CE 3.42Å; I418-M421 PolarHBondContact O-N 3.23Å; M421-Q428 CarbonylContact O-C 3.44Å; M421-Q428 VanDerWaalsContact O-CA 3.26Å; M421-Q428 WeakPolarHBondContact O-CA 3.44Å; M421-S429 VanDerWaalsContact C-OG 3.27Å; M421-S429 PolarHBondContact O-N 3.17Å; M421-S429 PolarHBondContact O-OG 2.75Å; M421-Y430 HydrophobicContact CB-CE2 4.46Å; M421-Y430 HydrophobicContact CE-CD2 4.4Å; M421-Y430 HydrophobicContact CE-CE2 3.51Å; M421-R703 VanDerWaalsContact N-NH2 3.1Å; M421-C706 HydrophobicContact CE-CB 3.43Å; M421-C706 VanDerWaalsContact CE-CB 3.43Å; M421-C706 HydrophobicContact SD-CB 3.54Å; M421-C706 VanDerWaalsContact SD-CB 3.54Å
422	Y	66.9	Low	72.1	Confident	24 Å²	24	32.3 Å²	32.3	9%	0.094	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-131.9	140.7	-179.9	-63.7	-92.2	0	0	0	108.6	G426 Y427 Q428 S429 C449 A803 K806	Y422-G426 WeakPolarHBondContact CD1-O 3.23Å; Y422-Y427 VanDerWaalsContact CA-O 3.24Å; Y422-Y427 WeakPolarHBondContact CA-O 3.38Å; Y422-Y427 VanDerWaalsContact CD1-C 3.45Å; Y422-Q428 HydrophobicContact CD1-CG 4.17Å; Y422-Q428 HydrophobicContact CE1-CB 4.34Å; Y422-Q428 HydrophobicContact CE1-CG 3.51Å; Y422-S429 VanDerWaalsContact C-OG 3.23Å; Y422-S429 WeakPolarHBondContact CA-OG 3.37Å; Y422-S429 PolarHBondContact N-OG 2.55Å; Y422-C449 HydrophobicContact CD1-CB 4.3Å; Y422-C449 HydrophobicContact CE1-CB 3.84Å; Y422-A803 HydrophobicContact CD2-CB 3.87Å; Y422-A803 HydrophobicContact CE2-CB 3.95Å; Y422-K806 HydrophobicContact CD1-CD 3.53Å; Y422-K806 HydrophobicContact CD2-CD 4.01Å; Y422-K806 HydrophobicContact CE1-CB 4.41Å; Y422-K806 HydrophobicContact CE1-CD 3.36Å; Y422-K806 HydrophobicContact CE1-CG 4.49Å; Y422-K806 HydrophobicContact CE2-CD 3.84Å; Y422-K806 HydrophobicContact CG-CD 3.88Å
423	D	69.8	Low	72.6	Confident	59 Å²	59	31 Å²	31	32%	0.316	16%	0.16	S	C	.	.			trans	-87.8	175	174.7	-70.4	-1.5	0	0	0	110.4	R116 D425 G426 Y427 S429	R116-D423 IonicContact CZ-OD2 2.74Å; R116-D423 IonicContact NE-OD2 3.78Å; R116-D423 PolarHBondContact NE-OD2 3Å; R116-D423 IonicContact NH2-OD2 3.73Å; R116-D423 PolarHBondContact NH2-OD2 3.4Å; D423-D425 PolarHBondContact O-N 3.06Å; D423-D425 VanDerWaalsContact O-N 3.09Å; D423-G426 PolarHBondContact O-N 2.83Å; D423-Y427 PolarHBondContact N-O 2.9Å; D423-Y427 VanDerWaalsContact N-O 3.07Å; D423-S429 PolarHBondContact N-OG 3.36Å; D423-S429 WeakPolarHBondContact OD1-CB 3.22Å; D423-S429 PolarHBondContact OD1-OG 2.77Å
424	D	63.8	Low	73.5	Confident	121 Å²	121	28.4 Å²	28.4	65%	0.647	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-12.9	178.4	-51.9	-44.3	0	0	0	113.2	M710	D424-M710 WeakPolarHBondContact OD2-CE 2.94Å
425	D	72.7	Confident	73.9	Confident	60 Å²	60	26.3 Å²	26.3	32%	0.321	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-5.7	170.9	61.1	34.1	0	0	0	113.8	R116 I118 D423 Y427	R116-D425 IonicContact CZ-OD2 2.63Å; R116-D425 IonicContact NH2-OD1 2.83Å; R116-D425 PolarHBondContact NH2-OD1 2.89Å; R116-D425 IonicContact NH2-OD2 3.87Å; R116-D425 PolarHBondContact NH2-OD2 2.86Å; I118-D425 WeakPolarHBondContact CD1-OD2 3.19Å; D423-D425 PolarHBondContact O-N 3.06Å; D423-D425 VanDerWaalsContact O-N 3.09Å; D425-Y427 VanDerWaalsContact C-N 3.3Å; D425-Y427 WeakPolarHBondContact O-CD2 3.24Å; D425-Y427 PolarHBondContact O-N 3.27Å; D425-Y427 WeakPolarHBondContact OD1-CA 3.35Å; D425-Y427 WeakPolarHBondContact OD1-CB 3.49Å; D425-Y427 PolarHBondContact OD1-N 2.87Å
426	G	68.2	Low	74.1	Confident	17 Å²	17	27 Å²	27	18%	0.175	14%	0.143	C	C	.	.	S	Bend	trans	83.6	-10.1	-179.3	0	0	0	0	0	115.1	Y422 D423 C449 K806	Y422-G426 WeakPolarHBondContact CD1-O 3.23Å; D423-G426 PolarHBondContact O-N 2.83Å; G426-C449 WeakPolarHBondContact O-CB 3.2Å; G426-K806 PolarHBondContact O-NZ 3.08Å
427	Y	78.8	Confident	74.2	Confident	55 Å²	55	28.5 Å²	28.5	22%	0.216	16%	0.159	C	C	.	.	S	Bend	trans	-90.7	156.8	179.6	-71.2	-101.2	0	0	0	112.5	Y422 D423 D425 S429 L442 C443 C448	Y422-Y427 VanDerWaalsContact CA-O 3.24Å; Y422-Y427 WeakPolarHBondContact CA-O 3.38Å; Y422-Y427 VanDerWaalsContact CD1-C 3.45Å; D423-Y427 PolarHBondContact N-O 2.9Å; D423-Y427 VanDerWaalsContact N-O 3.07Å; D425-Y427 VanDerWaalsContact C-N 3.3Å; D425-Y427 WeakPolarHBondContact O-CD2 3.24Å; D425-Y427 PolarHBondContact O-N 3.27Å; D425-Y427 WeakPolarHBondContact OD1-CA 3.35Å; D425-Y427 WeakPolarHBondContact OD1-CB 3.49Å; D425-Y427 PolarHBondContact OD1-N 2.87Å; Y427-S429 PolarHBondContact O-N 3.07Å; Y427-L442 HydrophobicContact CD1-CB 4.03Å; Y427-L442 HydrophobicContact CD1-CD1 4.44Å; Y427-L442 HydrophobicContact CD1-CD2 4.01Å; Y427-L442 HydrophobicContact CD1-CG 4.38Å; Y427-L442 HydrophobicContact CD2-CD1 3.85Å; Y427-L442 HydrophobicContact CD2-CD2 4.47Å; Y427-L442 HydrophobicContact CE1-CB 3.95Å; Y427-L442 HydrophobicContact CE2-CD1 4.05Å; Y427-L442 HydrophobicContact CG-CB 4.48Å; Y427-L442 HydrophobicContact CG-CD1 4.08Å; Y427-L442 HydrophobicContact CG-CD2 3.87Å; Y427-L442 HydrophobicContact CG-CG 4.36Å; Y427-C443 WeakPolarHBondContact CE1-O 3.24Å; Y427-C443 PolarHBondContact OH-O 3.03Å; Y427-C448 WeakPolarHBondContact CE1-O 3.25Å
428	Q	73.8	Confident	74.7	Confident	4 Å²	4	34.8 Å²	34.8	2%	0.019	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-52.7	127.5	173.3	-80.3	-179.3	-38.2	0	0	109.9	R116 S419 M421 Y422 Y430 T432 C449 C451	R116-Q428 PolarHBondContact NH1-O 3.25Å; S419-Q428 PolarHBondContact O-NE2 3.13Å; M421-Q428 CarbonylContact O-C 3.44Å; M421-Q428 VanDerWaalsContact O-CA 3.26Å; M421-Q428 WeakPolarHBondContact O-CA 3.44Å; Y422-Q428 HydrophobicContact CD1-CG 4.17Å; Y422-Q428 HydrophobicContact CE1-CB 4.34Å; Y422-Q428 HydrophobicContact CE1-CG 3.51Å; Q428-Y430 PolarHBondContact O-N 3.05Å; Q428-T432 PolarHBondContact OE1-OG1 3.48Å; Q428-C449 WeakPolarHBondContact CG-O 3.33Å; Q428-C449 PolarHBondContact N-O 3.49Å; Q428-C451 PolarHBondContact O-SG 3.33Å
429	S	71.1	Confident	75.5	Confident	9 Å²	9	37 Å²	37	6%	0.063	19%	0.19	C	C	.	.	S	Bend	trans	-59.9	-28.1	-178	-53.9	0	0	0	0	113.2	R116 M421 Y422 D423 Y427	R116-S429 WeakPolarHBondContact CD-O 3.34Å; R116-S429 PolarHBondContact NH1-O 3.23Å; M421-S429 VanDerWaalsContact C-OG 3.27Å; M421-S429 PolarHBondContact O-N 3.17Å; M421-S429 PolarHBondContact O-OG 2.75Å; Y422-S429 VanDerWaalsContact C-OG 3.23Å; Y422-S429 WeakPolarHBondContact CA-OG 3.37Å; Y422-S429 PolarHBondContact N-OG 2.55Å; D423-S429 PolarHBondContact N-OG 3.36Å; D423-S429 WeakPolarHBondContact OD1-CB 3.22Å; D423-S429 PolarHBondContact OD1-OG 2.77Å; Y427-S429 PolarHBondContact O-N 3.07Å
430	Y	81.6	Confident	76.5	Confident	57 Å²	57	36.7 Å²	36.7	22%	0.224	19%	0.188	C	C	.	.	S	Bend	trans	-129.6	156.9	-174.5	-57.9	-88.8	0	0	0	111.8	I418 M421 Q428 T432 C451	I418-Y430 HydrophobicContact CB-CD2 3.74Å; I418-Y430 HydrophobicContact CB-CE2 4.02Å; I418-Y430 HydrophobicContact CB-CG 4.41Å; I418-Y430 HydrophobicContact CD1-CD1 3.79Å; I418-Y430 HydrophobicContact CD1-CD2 3.76Å; I418-Y430 HydrophobicContact CD1-CE1 4.1Å; I418-Y430 HydrophobicContact CD1-CE2 4.14Å; I418-Y430 HydrophobicContact CD1-CG 3.61Å; I418-Y430 HydrophobicContact CG1-CD2 3.84Å; I418-Y430 HydrophobicContact CG1-CE2 4.43Å; I418-Y430 HydrophobicContact CG1-CG 4Å; I418-Y430 HydrophobicContact CG2-CE2 4.42Å; M421-Y430 HydrophobicContact CB-CE2 4.46Å; M421-Y430 HydrophobicContact CE-CD2 4.4Å; M421-Y430 HydrophobicContact CE-CE2 3.51Å; Q428-Y430 PolarHBondContact O-N 3.05Å; Y430-T432 PolarHBondContact O-N 2.84Å; Y430-C451 VanDerWaalsContact C-SG 3.59Å; Y430-C451 PolarHBondContact O-SG 3.11Å; Y430-C451 VanDerWaalsContact O-SG 3.38Å
431	C	88.2	Confident	77.4	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.186	C	C	.	.			trans	-51.6	127.4	178.3	174.6	0	0	0	0	112.7	V433 C434 C435 G436 C451 C453	C431-V433 PolarHBondContact O-N 3.41Å; C431-V433 PolarHBondContact SG-N 2.97Å; C431-C434 VanDerWaalsContact CB-SG 3.58Å; C431-C435 WeakPolarHBondContact O-CA 3.44Å; C431-C435 PolarHBondContact O-N 2.96Å; C431-G436 WeakPolarHBondContact CB-O 3.45Å; C431-G436 PolarHBondContact N-O 2.65Å; C431-G436 VanDerWaalsContact N-O 3.1Å; C431-C451 WeakPolarHBondContact CA-O 3.37Å; C431-C453 HydrophobicContact CB-CB 3.84Å; C431-C453 PolarHBondContact SG-N 3.21Å; C431-C453 VanDerWaalsContact SG-SG 3.69Å
432	T	89	Confident	78.6	Confident	3 Å²	3	36.1 Å²	36.1	2%	0.018	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-23	178.9	-58.8	0	0	0	0	114.4	L402 F403 Q428 Y430 R450 C451 F452 M479	L402-T432 HydrophobicContact CD1-CG2 3.42Å; L402-T432 VanDerWaalsContact CD1-CG2 3.42Å; F403-T432 HydrophobicContact CE2-CG2 4.48Å; Q428-T432 PolarHBondContact OE1-OG1 3.48Å; Y430-T432 PolarHBondContact O-N 2.84Å; T432-R450 WeakPolarHBondContact OG1-CB 3.41Å; T432-C451 WeakPolarHBondContact CB-O 3.31Å; T432-C451 PolarHBondContact N-O 3.05Å; T432-C451 PolarHBondContact OG1-N 2.87Å; T432-C451 PolarHBondContact OG1-O 3.13Å; T432-F452 HydrophobicContact CG2-CE2 4.28Å; T432-F452 HydrophobicContact CG2-CZ 4.07Å; T432-M479 HydrophobicContact CG2-CG 4.4Å
433	V	91.8	Very high	79.7	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-69.6	176.6	-174.1	0	0	0	0	110.9	L389 H400 F403 C431 C435 F452 L460 L489	L389-V433 HydrophobicContact CB-CG1 4.13Å; L389-V433 HydrophobicContact CD1-CG1 4.49Å; H400-V433 PolarHBondContact NE2-O 3.11Å; H400-V433 VanDerWaalsContact NE2-O 3.08Å; F403-V433 HydrophobicContact CD2-CG2 3.97Å; F403-V433 HydrophobicContact CE2-CG2 3.73Å; F403-V433 HydrophobicContact CZ-CG2 4.44Å; C431-V433 PolarHBondContact O-N 3.41Å; C431-V433 PolarHBondContact SG-N 2.97Å; V433-C435 VanDerWaalsContact C-N 3.33Å; V433-C435 PolarHBondContact O-N 3.37Å; V433-F452 HydrophobicContact CG2-CD1 3.89Å; V433-F452 HydrophobicContact CG2-CE1 3.55Å; V433-F452 HydrophobicContact CG2-CZ 4.49Å; V433-L460 HydrophobicContact CG1-CD1 3.89Å; V433-L489 HydrophobicContact CG2-CD1 4.38Å
434	C	87.5	Confident	80.5	Confident	15 Å²	15	33.8 Å²	33.8	10%	0.101	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-11	-168.6	66.2	0	0	0	0	114.7	C431	C431-C434 VanDerWaalsContact CB-SG 3.58Å
435	C	77.5	Confident	81.7	Confident	9 Å²	9	29 Å²	29	6%	0.061	16%	0.158	C	C	.	.	S	Bend	trans	49.4	62.2	-164.8	-76.8	0	0	0	0	110.7	V414 Y415 I418 C431 V433	V414-C435 HydrophobicContact CG1-CB 4.1Å; Y415-C435 HydrophobicContact CD2-CB 4.49Å; Y415-C435 WeakPolarHBondContact CD2-SG 3.49Å; I418-C435 HydrophobicContact CD1-CB 4.02Å; I418-C435 WeakPolarHBondContact CD1-O 3.3Å; I418-C435 HydrophobicContact CG1-CB 3.72Å; C431-C435 WeakPolarHBondContact O-CA 3.44Å; C431-C435 PolarHBondContact O-N 2.96Å; V433-C435 VanDerWaalsContact C-N 3.33Å; V433-C435 PolarHBondContact O-N 3.37Å
436	G	79.4	Confident	82.1	Confident	18 Å²	18	29.3 Å²	29.3	19%	0.186	17%	0.168	C	C	.	.			trans	179.1	-149.1	-176.3	0	0	0	0	0	112	C431	C431-G436 WeakPolarHBondContact CB-O 3.45Å; C431-G436 PolarHBondContact N-O 2.65Å; C431-G436 VanDerWaalsContact N-O 3.1Å
437	G	67.6	Low	82.8	Confident	34 Å²	34	29.6 Å²	29.6	35%	0.351	17%	0.166	S	C	.	.			trans	85.3	149.1	-173.2	0	0	0	0	0	112.9
438	R	72.8	Confident	83.1	Confident	192 Å²	192	27.2 Å²	27.2	73%	0.725	16%	0.157	S	C	*	.	S	Bend	trans	-96.8	-35.6	173.3	-65	-175.1	-173.3	172.5	5.3	112.4	R116 T117	R116-R438 CarbonylContact C-O 3.59Å; R116-R438 WeakPolarHBondContact CA-O 3.5Å; T117-R438 PolarHBondContact N-O 2.84Å
439	E	83.5	Confident	83.7	Confident	63 Å²	63	27.7 Å²	27.7	29%	0.294	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	129.5	176.1	-54.8	-154	149	0	0	109.1	T117 Y119 C453 V454 R470	T117-E439 WeakPolarHBondContact O-CA 3.5Å; Y119-E439 HydrophobicContact CD2-CB 4.33Å; Y119-E439 HydrophobicContact CE2-CB 3.96Å; Y119-E439 HydrophobicContact CE2-CG 4.16Å; Y119-E439 WeakPolarHBondContact CE2-OE2 3.43Å; Y119-E439 PolarHBondContact OH-OE1 2.67Å; E439-C453 WeakPolarHBondContact O-CA 3.43Å; E439-C453 VanDerWaalsContact O-CB 3.25Å; E439-C453 WeakPolarHBondContact O-CB 3.13Å; E439-V454 HydrophobicContact CB-CB 4.25Å; E439-V454 HydrophobicContact CB-CG2 3.58Å; E439-V454 PolarHBondContact O-N 3.1Å; E439-V454 VanDerWaalsContact O-N 3.07Å; E439-R470 IonicContact OE2-NH2 2.69Å; E439-R470 PolarHBondContact OE2-NH2 3.09Å
440	V	88.6	Confident	84.5	Confident	1 Å²	1	27.6 Å²	27.6	1%	0.006	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	141.4	-179.3	-66.2	0	0	0	0	112.2	T117 I118 Y119 C451 F452 C453	T117-V440 PolarHBondContact O-N 2.87Å; I118-V440 HydrophobicContact CG1-CG2 4.46Å; Y119-V440 PolarHBondContact N-O 2.89Å; V440-C451 HydrophobicContact CB-CB 4.15Å; V440-C451 HydrophobicContact CG2-CB 4.42Å; V440-F452 CarbonylContact C-O 3.6Å; V440-F452 WeakPolarHBondContact CA-O 3.26Å; V440-C453 HydrophobicContact CG1-CB 4.05Å
441	L	89	Confident	84.8	Confident	2 Å²	2	24.9 Å²	24.9	1%	0.01	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	132.2	166.4	-85.1	71.3	0	0	0	109.9	Y119 C451 F452 V454 L457 A469 R470 W475	Y119-L441 VanDerWaalsContact O-CA 3.32Å; Y119-L441 WeakPolarHBondContact O-CA 3.44Å; L441-C451 CarbonylContact O-C 3.43Å; L441-C451 WeakPolarHBondContact O-CA 3.48Å; L441-C451 VanDerWaalsContact O-CB 3.3Å; L441-C451 WeakPolarHBondContact O-CB 3.38Å; L441-F452 PolarHBondContact N-O 2.88Å; L441-F452 PolarHBondContact O-N 3.42Å; L441-V454 HydrophobicContact CD1-CG2 4.13Å; L441-L457 HydrophobicContact CB-CD1 4.41Å; L441-L457 HydrophobicContact CD1-CD1 4.08Å; L441-L457 HydrophobicContact CD2-CD1 3.96Å; L441-L457 HydrophobicContact CG-CD1 4.39Å; L441-A469 HydrophobicContact CD2-CB 3.37Å; L441-R470 HydrophobicContact CD1-CG 4.26Å; L441-R470 HydrophobicContact CD2-CG 4.17Å; L441-R470 HydrophobicContact CG-CG 4.41Å; L441-W475 HydrophobicContact CB-CE3 4.27Å; L441-W475 HydrophobicContact CB-CZ3 4.04Å
442	L	89.6	Confident	85	Confident	15 Å²	15	25 Å²	25	8%	0.079	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	144.2	173.9	-54.2	-172.4	0	0	0	111.2	I118 Y119 Y427 G444 C451	I118-L442 HydrophobicContact CG2-CD1 3.61Å; I118-L442 HydrophobicContact CG2-CD2 4.11Å; I118-L442 HydrophobicContact CG2-CG 3.7Å; Y119-L442 PolarHBondContact O-N 3.47Å; Y119-L442 VanDerWaalsContact O-N 3.07Å; Y427-L442 HydrophobicContact CD1-CB 4.03Å; Y427-L442 HydrophobicContact CD1-CD1 4.44Å; Y427-L442 HydrophobicContact CD1-CD2 4.01Å; Y427-L442 HydrophobicContact CD1-CG 4.38Å; Y427-L442 HydrophobicContact CD2-CD1 3.85Å; Y427-L442 HydrophobicContact CD2-CD2 4.47Å; Y427-L442 HydrophobicContact CE1-CB 3.95Å; Y427-L442 HydrophobicContact CE2-CD1 4.05Å; Y427-L442 HydrophobicContact CG-CB 4.48Å; Y427-L442 HydrophobicContact CG-CD1 4.08Å; Y427-L442 HydrophobicContact CG-CD2 3.87Å; Y427-L442 HydrophobicContact CG-CG 4.36Å; L442-G444 PolarHBondContact O-N 3.42Å; L442-C451 HydrophobicContact CD2-CB 3.75Å
443	C	90.3	Very high	85.1	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.148	C	C	.	.	P	Polyproline II helix	trans	-74.8	118	174.2	-171.9	0	0	0	0	111.1	Y427 N445 C448 R450 C477	Y427-C443 WeakPolarHBondContact CE1-O 3.24Å; Y427-C443 PolarHBondContact OH-O 3.03Å; C443-N445 PolarHBondContact O-N 3.16Å; C443-N445 VanDerWaalsContact O-N 3.1Å; C443-N445 VanDerWaalsContact SG-CB 3.6Å; C443-C448 HydrophobicContact CB-CB 4.34Å; C443-C448 VanDerWaalsContact SG-SG 3.68Å; C443-R450 WeakPolarHBondContact CB-O 3.31Å; C443-R450 PolarHBondContact N-O 3Å; C443-R450 VanDerWaalsContact N-O 3.09Å; C443-C477 HydrophobicContact CB-CB 3.93Å; C443-C477 PolarHBondContact SG-N 3.42Å
444	G	86.7	Confident	85.1	Confident	34 Å²	34	25.8 Å²	25.8	35%	0.351	15%	0.154	S	C	.	.			trans	-76.8	17.7	175.3	0	0	0	0	0	115	L442 W475	L442-G444 PolarHBondContact O-N 3.42Å; G444-W475 PolarHBondContact N-O 3.04Å
445	N	87.8	Confident	85.3	Confident	21 Å²	21	28 Å²	28	11%	0.112	16%	0.164	C	C	.	.	S	Bend	trans	-95.9	131.6	177.5	-168.2	45.2	0	0	0	110.2	C443 C448 R476 C480 E523	C443-N445 PolarHBondContact O-N 3.16Å; C443-N445 VanDerWaalsContact O-N 3.1Å; C443-N445 VanDerWaalsContact SG-CB 3.6Å; N445-C448 HydrophobicContact CB-CB 4.06Å; N445-C448 VanDerWaalsContact O-CB 3.22Å; N445-C448 WeakPolarHBondContact O-CB 3.21Å; N445-C448 PolarHBondContact O-N 2.95Å; N445-C448 VanDerWaalsContact O-N 3.1Å; N445-R476 HydrophobicContact CB-CG 4.38Å; N445-C480 HydrophobicContact CB-CB 4.38Å; N445-C480 WeakPolarHBondContact ND2-CB 3.25Å; N445-C480 PolarHBondContact ND2-SG 3.3Å; N445-E523 PolarHBondContact ND2-OE1 2.98Å
446	A	81.8	Confident	86.1	Confident	66 Å²	66	27.6 Å²	27.6	55%	0.545	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	145.3	-179.7	0	0	0	0	0	112.2	C448	A446-C448 PolarHBondContact O-N 3.32Å; A446-C448 VanDerWaalsContact O-N 3.08Å
447	N	83.2	Confident	86.8	Confident	24 Å²	24	26.8 Å²	26.8	13%	0.128	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	6.9	-174.3	-44.6	-44.9	0	0	0	115.8	A522 R525 A810 C811	N447-A522 HydrophobicContact CB-CB 4.46Å; N447-A522 WeakPolarHBondContact CB-O 3.34Å; N447-A522 PolarHBondContact ND2-O 3.15Å; N447-R525 HydrophobicContact CB-CB 4.07Å; N447-R525 PolarHBondContact O-NH1 3.48Å; N447-A810 WeakPolarHBondContact OD1-CA 3.42Å; N447-A810 WeakPolarHBondContact OD1-CB 3.34Å; N447-C811 PolarHBondContact OD1-N 3.35Å; N447-C811 PolarHBondContact OD1-O 3.36Å; N447-C811 VanDerWaalsContact OD1-O 3.12Å
448	C	85.1	Confident	88	Confident	5 Å²	5	26.9 Å²	26.9	3%	0.034	15%	0.146	C	C	.	.			trans	-105.5	81.5	-176.3	-166.1	0	0	0	0	112.7	Y427 C443 N445 A446 R450 C480 A522	Y427-C448 WeakPolarHBondContact CE1-O 3.25Å; C443-C448 HydrophobicContact CB-CB 4.34Å; C443-C448 VanDerWaalsContact SG-SG 3.68Å; N445-C448 HydrophobicContact CB-CB 4.06Å; N445-C448 VanDerWaalsContact O-CB 3.22Å; N445-C448 WeakPolarHBondContact O-CB 3.21Å; N445-C448 PolarHBondContact O-N 2.95Å; N445-C448 VanDerWaalsContact O-N 3.1Å; A446-C448 PolarHBondContact O-N 3.32Å; A446-C448 VanDerWaalsContact O-N 3.08Å; C448-R450 PolarHBondContact O-N 2.97Å; C448-C480 PolarHBondContact SG-SG 3.32Å; C448-A522 HydrophobicContact CB-CB 3.92Å
449	C	84.6	Confident	89	Confident	13 Å²	13	19 Å²	19	9%	0.088	12%	0.118	C	C	.	.			trans	-71.7	34	-177.6	-47.3	0	0	0	0	114.7	Y422 G426 Q428 K806 C811	Y422-C449 HydrophobicContact CD1-CB 4.3Å; Y422-C449 HydrophobicContact CE1-CB 3.84Å; G426-C449 WeakPolarHBondContact O-CB 3.2Å; Q428-C449 WeakPolarHBondContact CG-O 3.33Å; Q428-C449 PolarHBondContact N-O 3.49Å; C449-K806 HydrophobicContact CB-CD 4.42Å; C449-C811 VanDerWaalsContact SG-CB 3.53Å; C449-C811 VanDerWaalsContact SG-SG 3.6Å
450	R	88	Confident	89.6	Confident	8 Å²	8	16 Å²	16	3%	0.03	10%	0.104	C	C	.	.			trans	-108.4	146.7	-171.5	-66.5	-174.6	178.4	-80.9	1.1	111.9	T432 C443 C448 D807	T432-R450 WeakPolarHBondContact OG1-CB 3.41Å; C443-R450 WeakPolarHBondContact CB-O 3.31Å; C443-R450 PolarHBondContact N-O 3Å; C443-R450 VanDerWaalsContact N-O 3.09Å; C448-R450 PolarHBondContact O-N 2.97Å; R450-D807 IonicContact CZ-OD1 4Å; R450-D807 IonicContact CZ-OD2 3.92Å; R450-D807 IonicContact NE-OD1 2.71Å; R450-D807 IonicContact NH2-OD1 3.64Å; R450-D807 PolarHBondContact NH2-OD1 2.89Å; R450-D807 IonicContact NH2-OD2 3.7Å; R450-D807 PolarHBondContact NH2-OD2 2.98Å
451	C	87.9	Confident	89.8	Confident	0 Å²	0	16.4 Å²	16.4	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	153.1	178.7	77.6	0	0	0	0	112.2	Q428 Y430 C431 T432 V440 L441 L442	Q428-C451 PolarHBondContact O-SG 3.33Å; Y430-C451 VanDerWaalsContact C-SG 3.59Å; Y430-C451 PolarHBondContact O-SG 3.11Å; Y430-C451 VanDerWaalsContact O-SG 3.38Å; C431-C451 WeakPolarHBondContact CA-O 3.37Å; T432-C451 WeakPolarHBondContact CB-O 3.31Å; T432-C451 PolarHBondContact N-O 3.05Å; T432-C451 PolarHBondContact OG1-N 2.87Å; T432-C451 PolarHBondContact OG1-O 3.13Å; V440-C451 HydrophobicContact CB-CB 4.15Å; V440-C451 HydrophobicContact CG2-CB 4.42Å; L441-C451 CarbonylContact O-C 3.43Å; L441-C451 WeakPolarHBondContact O-CA 3.48Å; L441-C451 VanDerWaalsContact O-CB 3.3Å; L441-C451 WeakPolarHBondContact O-CB 3.38Å; L442-C451 HydrophobicContact CD2-CB 3.75Å
452	F	93.7	Very high	90	Very high	1 Å²	1	20.6 Å²	20.6	0%	0.004	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	132.3	-177.6	-74.2	-111.2	0	0	0	109.6	F403 T432 V433 V440 L441 L457 W475 C477 Y478 M479 L489	F403-F452 HydrophobicContact CE2-CE1 4.12Å; F403-F452 HydrophobicContact CE2-CZ 4.15Å; F403-F452 AromaticContact CZ-CE1 3.85Å; F403-F452 HydrophobicContact CZ-CE1 3.85Å; F403-F452 AromaticContact CZ-CZ 3.83Å; F403-F452 HydrophobicContact CZ-CZ 3.83Å; T432-F452 HydrophobicContact CG2-CE2 4.28Å; T432-F452 HydrophobicContact CG2-CZ 4.07Å; V433-F452 HydrophobicContact CG2-CD1 3.89Å; V433-F452 HydrophobicContact CG2-CE1 3.55Å; V433-F452 HydrophobicContact CG2-CZ 4.49Å; V440-F452 CarbonylContact C-O 3.6Å; V440-F452 WeakPolarHBondContact CA-O 3.26Å; L441-F452 PolarHBondContact N-O 2.88Å; L441-F452 PolarHBondContact O-N 3.42Å; F452-L457 HydrophobicContact CB-CD2 3.81Å; F452-L457 HydrophobicContact CB-CG 4.22Å; F452-L457 HydrophobicContact CD1-CD2 4.43Å; F452-L457 HydrophobicContact CG-CD2 4.4Å; F452-W475 HydrophobicContact CB-CH2 4.02Å; F452-W475 AromaticContact CD2-CH2 3.93Å; F452-W475 HydrophobicContact CD2-CH2 3.93Å; F452-W475 HydrophobicContact CD2-CZ3 4.48Å; F452-W475 HydrophobicContact CG-CH2 4.08Å; F452-C477 HydrophobicContact CD2-CB 3.73Å; F452-C477 HydrophobicContact CE2-CB 3.48Å; F452-C477 VanDerWaalsContact CE2-CB 3.48Å; F452-C477 HydrophobicContact CZ-CB 4.33Å; F452-Y478 HydrophobicContact CD1-CD2 4.31Å; F452-Y478 HydrophobicContact CE1-CD2 4.15Å; F452-M479 HydrophobicContact CZ-CG 4.33Å; F452-L489 HydrophobicContact CE1-CD2 4.4Å
453	C	91.3	Very high	90.1	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	148.8	178.9	69.6	0	0	0	0	112.7	C431 E439 V440 D455 C456 L457	C431-C453 HydrophobicContact CB-CB 3.84Å; C431-C453 PolarHBondContact SG-N 3.21Å; C431-C453 VanDerWaalsContact SG-SG 3.69Å; E439-C453 WeakPolarHBondContact O-CA 3.43Å; E439-C453 VanDerWaalsContact O-CB 3.25Å; E439-C453 WeakPolarHBondContact O-CB 3.13Å; V440-C453 HydrophobicContact CG1-CB 4.05Å; C453-D455 VanDerWaalsContact C-N 3.31Å; C453-D455 PolarHBondContact O-N 3.01Å; C453-C456 WeakPolarHBondContact O-CA 3.32Å; C453-C456 PolarHBondContact O-N 2.8Å; C453-C456 VanDerWaalsContact SG-CB 3.57Å; C453-C456 PolarHBondContact SG-N 2.94Å; C453-C456 VanDerWaalsContact SG-SG 3.64Å; C453-L457 PolarHBondContact O-N 3.48Å; C453-L457 VanDerWaalsContact O-N 3.08Å
454	V	91.8	Very high	90.1	Very high	21 Å²	21	26.9 Å²	26.9	13%	0.127	17%	0.174	C	C	.	.	H	α-helix	trans	-47	-52.3	-179.8	168.1	0	0	0	0	111.4	E439 L441 C456 L457 D458	E439-V454 HydrophobicContact CB-CB 4.25Å; E439-V454 HydrophobicContact CB-CG2 3.58Å; E439-V454 PolarHBondContact O-N 3.1Å; E439-V454 VanDerWaalsContact O-N 3.07Å; L441-V454 HydrophobicContact CD1-CG2 4.13Å; V454-C456 VanDerWaalsContact C-N 3.34Å; V454-C456 PolarHBondContact O-N 2.93Å; V454-L457 WeakPolarHBondContact O-CB 3.44Å; V454-L457 PolarHBondContact O-N 2.94Å; V454-D458 WeakPolarHBondContact CG1-OD2 3.07Å; V454-D458 PolarHBondContact O-N 3.28Å
455	D	91.1	Very high	90.4	Very high	60 Å²	60	25.8 Å²	25.8	32%	0.321	16%	0.162	S	C	.	.	H	α-helix	trans	-70	-22.8	-179.8	40.6	-70.7	0	0	0	114.5	R370 C453 I459	R370-D455 IonicContact CZ-OD2 3.72Å; R370-D455 IonicContact NH1-OD2 3.56Å; R370-D455 PolarHBondContact NH1-OD2 3.34Å; R370-D455 IonicContact NH2-OD2 2.66Å; R370-D455 PolarHBondContact NH2-OD2 3.45Å; C453-D455 VanDerWaalsContact C-N 3.31Å; C453-D455 PolarHBondContact O-N 3.01Å; D455-I459 HydrophobicContact CB-CD1 3.94Å; D455-I459 WeakPolarHBondContact O-CB 3.41Å; D455-I459 WeakPolarHBondContact O-CD1 3.07Å; D455-I459 WeakPolarHBondContact O-CG1 3.32Å; D455-I459 PolarHBondContact O-N 2.99Å; D455-I459 VanDerWaalsContact O-N 3.12Å
456	C	94.1	Very high	90.6	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.014	16%	0.157	C	C	.	.	H	α-helix	trans	-73.1	-31.7	168.2	-87.2	0	0	0	0	112.6	C453 V454 L460	C453-C456 WeakPolarHBondContact O-CA 3.32Å; C453-C456 PolarHBondContact O-N 2.8Å; C453-C456 VanDerWaalsContact SG-CB 3.57Å; C453-C456 PolarHBondContact SG-N 2.94Å; C453-C456 VanDerWaalsContact SG-SG 3.64Å; V454-C456 VanDerWaalsContact C-N 3.34Å; V454-C456 PolarHBondContact O-N 2.93Å; C456-L460 HydrophobicContact CB-CD1 4.37Å; C456-L460 VanDerWaalsContact O-CB 3.29Å; C456-L460 WeakPolarHBondContact O-CB 3.29Å; C456-L460 PolarHBondContact O-N 3.49Å
457	L	94.1	Very high	91	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-68.8	-53.5	173.2	-58.4	173.9	0	0	0	110	L441 F452 C453 V454 I459 V461 D462 A465 W475 Y478	L441-L457 HydrophobicContact CB-CD1 4.41Å; L441-L457 HydrophobicContact CD1-CD1 4.08Å; L441-L457 HydrophobicContact CD2-CD1 3.96Å; L441-L457 HydrophobicContact CG-CD1 4.39Å; F452-L457 HydrophobicContact CB-CD2 3.81Å; F452-L457 HydrophobicContact CB-CG 4.22Å; F452-L457 HydrophobicContact CD1-CD2 4.43Å; F452-L457 HydrophobicContact CG-CD2 4.4Å; C453-L457 PolarHBondContact O-N 3.48Å; C453-L457 VanDerWaalsContact O-N 3.08Å; V454-L457 WeakPolarHBondContact O-CB 3.44Å; V454-L457 PolarHBondContact O-N 2.94Å; L457-I459 VanDerWaalsContact C-N 3.33Å; L457-I459 PolarHBondContact O-N 3.27Å; L457-V461 WeakPolarHBondContact O-CB 3.37Å; L457-V461 PolarHBondContact O-N 3.09Å; L457-V461 VanDerWaalsContact O-N 3.14Å; L457-D462 PolarHBondContact O-N 3.4Å; L457-A465 HydrophobicContact CB-CB 4.43Å; L457-W475 HydrophobicContact CD2-CH2 4.28Å; L457-W475 HydrophobicContact CD2-CZ2 4.03Å; L457-Y478 HydrophobicContact CD2-CE2 3.65Å
458	D	93.8	Very high	91.3	Very high	36 Å²	36	28.9 Å²	28.9	19%	0.193	17%	0.17	C	C	.	.	H	α-helix	trans	-74.7	-17	-172.1	-66.8	-37.2	0	0	0	114.8	V454 D462 P463 G464 A465 S466	V454-D458 WeakPolarHBondContact CG1-OD2 3.07Å; V454-D458 PolarHBondContact O-N 3.28Å; D458-D462 WeakPolarHBondContact CA-O 2.97Å; D458-D462 CarbonylContact O-C 3.57Å; D458-P463 WeakPolarHBondContact O-CA 3.33Å; D458-G464 VanDerWaalsContact OD1-C 3.24Å; D458-G464 WeakPolarHBondContact OD1-CA 3.36Å; D458-G464 PolarHBondContact OD1-N 2.95Å; D458-A465 PolarHBondContact OD1-N 3.27Å; D458-S466 WeakPolarHBondContact OD1-CB 3.34Å; D458-S466 PolarHBondContact OD1-N 3.41Å; D458-S466 PolarHBondContact OD1-OG 2.89Å; D458-S466 VanDerWaalsContact OD1-OG 3.1Å; D458-S466 WeakPolarHBondContact OD2-CB 3.22Å; D458-S466 PolarHBondContact OD2-OG 3.47Å
459	I	93.9	Very high	91.6	Very high	25 Å²	25	28.7 Å²	28.7	13%	0.128	17%	0.169	C	C	.	.	H	α-helix	trans	-102.5	-41.7	177.8	-55.8	162.4	0	0	0	112.5	R370 E371 V374 D455 L457	R370-I459 HydrophobicContact CB-CD1 4.38Å; R370-I459 HydrophobicContact CB-CG2 3.73Å; E371-I459 HydrophobicContact CG-CD1 4.43Å; E371-I459 HydrophobicContact CG-CG1 4.29Å; E371-I459 HydrophobicContact CG-CG2 4.1Å; E371-I459 WeakPolarHBondContact OE1-CD1 3.45Å; V374-I459 HydrophobicContact CG2-CG2 4Å; V374-I459 VanDerWaalsContact CG2-O 3.27Å; V374-I459 WeakPolarHBondContact CG2-O 3.45Å; D455-I459 HydrophobicContact CB-CD1 3.94Å; D455-I459 WeakPolarHBondContact O-CB 3.41Å; D455-I459 WeakPolarHBondContact O-CD1 3.07Å; D455-I459 WeakPolarHBondContact O-CG1 3.32Å; D455-I459 PolarHBondContact O-N 2.99Å; D455-I459 VanDerWaalsContact O-N 3.12Å; L457-I459 VanDerWaalsContact C-N 3.33Å; L457-I459 PolarHBondContact O-N 3.27Å
460	L	94.6	Very high	91.7	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-93.3	-21.3	-172.8	-52.2	178	0	0	0	113.6	M373 V374 V433 C456 V488 L489	M373-L460 HydrophobicContact CE-CD2 3.48Å; M373-L460 VanDerWaalsContact CE-CD2 3.48Å; V374-L460 HydrophobicContact CG2-CD2 4.19Å; V433-L460 HydrophobicContact CG1-CD1 3.89Å; C456-L460 HydrophobicContact CB-CD1 4.37Å; C456-L460 VanDerWaalsContact O-CB 3.29Å; C456-L460 WeakPolarHBondContact O-CB 3.29Å; C456-L460 PolarHBondContact O-N 3.49Å; L460-V488 HydrophobicContact CB-CG2 4.38Å; L460-V488 HydrophobicContact CD2-CG2 4.43Å; L460-V488 VanDerWaalsContact O-CG2 3.29Å; L460-V488 WeakPolarHBondContact O-CG2 3.29Å; L460-V488 PolarHBondContact O-N 3.28Å; L460-L489 HydrophobicContact CB-CB 4.26Å; L460-L489 HydrophobicContact CD1-CD1 4.36Å; L460-L489 PolarHBondContact O-N 3.19Å; L460-L489 VanDerWaalsContact O-N 3.14Å
461	V	94.6	Very high	91.7	Very high	10 Å²	10	39.1 Å²	39.1	6%	0.061	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-90.3	172.4	-174.1	0	0	0	0	108.4	L457 A465 Y478 G487 L489	L457-V461 WeakPolarHBondContact O-CB 3.37Å; L457-V461 PolarHBondContact O-N 3.09Å; L457-V461 VanDerWaalsContact O-N 3.14Å; V461-A465 HydrophobicContact CB-CB 4.17Å; V461-A465 HydrophobicContact CG1-CB 4.2Å; V461-Y478 HydrophobicContact CG2-CD2 4.41Å; V461-Y478 HydrophobicContact CG2-CE1 4.46Å; V461-Y478 HydrophobicContact CG2-CE2 3.74Å; V461-G487 VanDerWaalsContact O-CA 3.26Å; V461-G487 WeakPolarHBondContact O-CA 3.24Å; V461-L489 HydrophobicContact CG2-CB 4.28Å; V461-L489 HydrophobicContact CG2-CD2 4.16Å
462	D	91.8	Very high	91.5	Very high	90 Å²	90	43.9 Å²	43.9	48%	0.481	23%	0.229	S	C	.	.			trans	-149.3	145.3	-179.1	-75.9	-69.4	0	0	0	110.2	L457 D458 G464 A465	L457-D462 PolarHBondContact O-N 3.4Å; D458-D462 WeakPolarHBondContact CA-O 2.97Å; D458-D462 CarbonylContact O-C 3.57Å; D462-G464 PolarHBondContact O-N 2.79Å; D462-G464 VanDerWaalsContact O-N 3.12Å; D462-A465 HydrophobicContact CB-CB 4.48Å; D462-A465 WeakPolarHBondContact O-CB 3.48Å; D462-A465 PolarHBondContact O-N 3.06Å
463	P	92.3	Very high	91	Very high	123 Å²	123	49.4 Å²	49.4	80%	0.799	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	116.5	175.8	-26.4	35.7	0	0	0	112.6	D458	D458-P463 WeakPolarHBondContact O-CA 3.33Å
464	G	90.3	Very high	90.7	Very high	23 Å²	23	52.9 Å²	52.9	24%	0.237	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	96.2	-1.2	-175.7	0	0	0	0	0	114.4	D458 D462 S466 N467 N468	D458-G464 VanDerWaalsContact OD1-C 3.24Å; D458-G464 WeakPolarHBondContact OD1-CA 3.36Å; D458-G464 PolarHBondContact OD1-N 2.95Å; D462-G464 PolarHBondContact O-N 2.79Å; D462-G464 VanDerWaalsContact O-N 3.12Å; G464-S466 PolarHBondContact O-N 3.2Å; G464-N467 PolarHBondContact O-N 3.14Å; G464-N467 VanDerWaalsContact O-N 3.08Å; G464-N468 PolarHBondContact O-N 3.38Å
465	A	92.5	Very high	90.7	Very high	11 Å²	11	52.1 Å²	52.1	9%	0.091	28%	0.277	C	S	.	.	H	α-helix	trans	-55.7	-31.7	172.1	0	0	0	0	0	112.5	L457 D458 V461 D462 N468 A469	L457-A465 HydrophobicContact CB-CB 4.43Å; D458-A465 PolarHBondContact OD1-N 3.27Å; V461-A465 HydrophobicContact CB-CB 4.17Å; V461-A465 HydrophobicContact CG1-CB 4.2Å; D462-A465 HydrophobicContact CB-CB 4.48Å; D462-A465 WeakPolarHBondContact O-CB 3.48Å; D462-A465 PolarHBondContact O-N 3.06Å; A465-N468 PolarHBondContact O-N 2.9Å; A465-A469 VanDerWaalsContact O-CB 3.23Å; A465-A469 WeakPolarHBondContact O-CB 3.47Å; A465-A469 PolarHBondContact O-N 2.88Å
466	S	92.2	Very high	90.7	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.007	28%	0.284	C	S	.	.	H	α-helix	trans	-63.6	-41	175	71.8	0	0	0	0	112.7	D458 G464 R470	D458-S466 WeakPolarHBondContact OD1-CB 3.34Å; D458-S466 PolarHBondContact OD1-N 3.41Å; D458-S466 PolarHBondContact OD1-OG 2.89Å; D458-S466 VanDerWaalsContact OD1-OG 3.1Å; D458-S466 WeakPolarHBondContact OD2-CB 3.22Å; D458-S466 PolarHBondContact OD2-OG 3.47Å; G464-S466 PolarHBondContact O-N 3.2Å; S466-R470 WeakPolarHBondContact O-CG 3.41Å; S466-R470 PolarHBondContact O-N 3.14Å
467	N	90.4	Very high	90.7	Very high	72 Å²	72	55.2 Å²	55.2	39%	0.385	28%	0.284	S	S	.	.	H	α-helix	trans	-74.2	-40.8	178.5	-68.5	-39.1	0	0	0	111	G464 A469 R470 Y471	G464-N467 PolarHBondContact O-N 3.14Å; G464-N467 VanDerWaalsContact O-N 3.08Å; N467-A469 VanDerWaalsContact C-N 3.28Å; N467-A469 PolarHBondContact O-N 2.81Å; N467-R470 WeakPolarHBondContact O-CB 3.48Å; N467-R470 PolarHBondContact O-N 3.33Å; N467-R470 PolarHBondContact OD1-NH1 3.06Å; N467-Y471 WeakPolarHBondContact O-CD2 3.24Å; N467-Y471 PolarHBondContact O-N 2.94Å
468	N	90.3	Very high	90.7	Very high	104 Å²	104	56 Å²	56	56%	0.556	29%	0.286	S	S	*	.	H	α-helix	trans	-58.9	-41.6	172.8	-68.5	-23.3	0	0	0	111.4	G464 A465 Y471 Q472	G464-N468 PolarHBondContact O-N 3.38Å; A465-N468 PolarHBondContact O-N 2.9Å; N468-Y471 PolarHBondContact O-N 2.68Å; N468-Q472 WeakPolarHBondContact O-CG 3.27Å; N468-Q472 PolarHBondContact O-N 3.05Å
469	A	89.8	Confident	90.7	Very high	1 Å²	1	55 Å²	55	1%	0.008	28%	0.281	C	S	.	.	H	α-helix	trans	-65.8	-38.1	175.4	0	0	0	0	0	113.2	A121 L441 A465 N467 Y471 Q472 W475	A121-A469 VanDerWaalsContact CB-O 3.29Å; A121-A469 WeakPolarHBondContact CB-O 3.32Å; L441-A469 HydrophobicContact CD2-CB 3.37Å; A465-A469 VanDerWaalsContact O-CB 3.23Å; A465-A469 WeakPolarHBondContact O-CB 3.47Å; A465-A469 PolarHBondContact O-N 2.88Å; N467-A469 VanDerWaalsContact C-N 3.28Å; N467-A469 PolarHBondContact O-N 2.81Å; A469-Y471 PolarHBondContact O-N 2.56Å; A469-Q472 PolarHBondContact O-N 2.82Å; A469-W475 HydrophobicContact CB-CD2 4.17Å; A469-W475 HydrophobicContact CB-CG 4Å
470	R	88.4	Confident	90.5	Very high	50 Å²	50	54.6 Å²	54.6	19%	0.189	28%	0.28	C	S	.	.	H	α-helix	trans	-58.1	-28.8	175.3	-78.4	166.4	168.8	155.6	-3.3	113.2	A121 G122 E439 L441 S466 N467	A121-R470 VanDerWaalsContact CA-O 3.31Å; A121-R470 WeakPolarHBondContact CA-O 3.39Å; G122-R470 PolarHBondContact N-O 2.66Å; E439-R470 IonicContact OE2-NH2 2.69Å; E439-R470 PolarHBondContact OE2-NH2 3.09Å; L441-R470 HydrophobicContact CD1-CG 4.26Å; L441-R470 HydrophobicContact CD2-CG 4.17Å; L441-R470 HydrophobicContact CG-CG 4.41Å; S466-R470 WeakPolarHBondContact O-CG 3.41Å; S466-R470 PolarHBondContact O-N 3.14Å; N467-R470 WeakPolarHBondContact O-CB 3.48Å; N467-R470 PolarHBondContact O-N 3.33Å; N467-R470 PolarHBondContact OD1-NH1 3.06Å
471	Y	86.4	Confident	90.3	Very high	190 Å²	190	56.4 Å²	56.4	75%	0.745	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-2.4	179.7	-59.3	-61.4	0	0	0	114.8	N467 N468 A469	N467-Y471 WeakPolarHBondContact O-CD2 3.24Å; N467-Y471 PolarHBondContact O-N 2.94Å; N468-Y471 PolarHBondContact O-N 2.68Å; A469-Y471 PolarHBondContact O-N 2.56Å
472	Q	85.1	Confident	90	Very high	99 Å²	99	60.1 Å²	60.1	46%	0.463	31%	0.313	S	S	.	.	S	Bend	trans	-96	106.8	178.6	-74.5	171.4	11.2	0	0	110.5	A121 N468 A469 P474 W475	A121-Q472 WeakPolarHBondContact CB-O 3.32Å; N468-Q472 WeakPolarHBondContact O-CG 3.27Å; N468-Q472 PolarHBondContact O-N 3.05Å; A469-Q472 PolarHBondContact O-N 2.82Å; Q472-P474 CarbonylContact O-C 3.43Å; Q472-W475 HydrophobicContact CB-CB 4.42Å; Q472-W475 WeakPolarHBondContact O-CA 3.27Å; Q472-W475 VanDerWaalsContact O-CB 3.29Å; Q472-W475 WeakPolarHBondContact O-CB 3.41Å; Q472-W475 PolarHBondContact O-N 3.18Å
473	D	82.1	Confident	89.8	Confident	118 Å²	118	60.1 Å²	60.1	63%	0.631	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110	121	176.8	-167	11.3	0	0	0	111.3
474	P	84.3	Confident	89.7	Confident	73 Å²	73	59.1 Å²	59.1	47%	0.474	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	cis	-85	127.1	-6.8	32.4	-32.8	0	0	0	113	Q472 R476	Q472-P474 CarbonylContact O-C 3.43Å; P474-R476 PolarHBondContact O-N 3.35Å
475	W	92.8	Very high	89.8	Confident	4 Å²	4	64.1 Å²	64.1	2%	0.015	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-70.9	118.4	176.6	178.5	73.2	0	0	0	110.9	A121 L441 G444 F452 L457 A469 Q472 C477 Y478	A121-W475 HydrophobicContact CB-CB 3.91Å; L441-W475 HydrophobicContact CB-CE3 4.27Å; L441-W475 HydrophobicContact CB-CZ3 4.04Å; G444-W475 PolarHBondContact N-O 3.04Å; F452-W475 HydrophobicContact CB-CH2 4.02Å; F452-W475 AromaticContact CD2-CH2 3.93Å; F452-W475 HydrophobicContact CD2-CH2 3.93Å; F452-W475 HydrophobicContact CD2-CZ3 4.48Å; F452-W475 HydrophobicContact CG-CH2 4.08Å; L457-W475 HydrophobicContact CD2-CH2 4.28Å; L457-W475 HydrophobicContact CD2-CZ2 4.03Å; A469-W475 HydrophobicContact CB-CD2 4.17Å; A469-W475 HydrophobicContact CB-CG 4Å; Q472-W475 HydrophobicContact CB-CB 4.42Å; Q472-W475 WeakPolarHBondContact O-CA 3.27Å; Q472-W475 VanDerWaalsContact O-CB 3.29Å; Q472-W475 WeakPolarHBondContact O-CB 3.41Å; Q472-W475 PolarHBondContact O-N 3.18Å; W475-C477 HydrophobicContact CE3-CB 4.42Å; W475-C477 HydrophobicContact CH2-CB 3.51Å; W475-C477 HydrophobicContact CZ2-CB 4.18Å; W475-C477 HydrophobicContact CZ3-CB 3.66Å; W475-Y478 HydrophobicContact CZ2-CE2 4.03Å
476	R	91.7	Very high	89.8	Confident	128 Å²	128	65.4 Å²	65.4	48%	0.483	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-92.5	128.5	173.8	-57.4	-173.2	-175.3	-161.7	0	109.5	N445 P474 Q481	N445-R476 HydrophobicContact CB-CG 4.38Å; P474-R476 PolarHBondContact O-N 3.35Å; R476-Q481 HydrophobicContact CB-CG 4.13Å; R476-Q481 WeakPolarHBondContact O-CG 3.27Å; R476-Q481 PolarHBondContact O-NE2 2.94Å
477	C	93.5	Very high	89.7	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-74.3	163.5	177.9	79.4	0	0	0	0	112.6	C443 F452 W475 M479 C480 Q481	C443-C477 HydrophobicContact CB-CB 3.93Å; C443-C477 PolarHBondContact SG-N 3.42Å; F452-C477 HydrophobicContact CD2-CB 3.73Å; F452-C477 HydrophobicContact CE2-CB 3.48Å; F452-C477 VanDerWaalsContact CE2-CB 3.48Å; F452-C477 HydrophobicContact CZ-CB 4.33Å; W475-C477 HydrophobicContact CE3-CB 4.42Å; W475-C477 HydrophobicContact CH2-CB 3.51Å; W475-C477 HydrophobicContact CZ2-CB 4.18Å; W475-C477 HydrophobicContact CZ3-CB 3.66Å; C477-M479 PolarHBondContact O-N 3.44Å; C477-C480 PolarHBondContact O-N 3.19Å; C477-Q481 PolarHBondContact O-N 2.84Å
478	Y	94.5	Very high	89.9	Confident	16 Å²	16	63.4 Å²	63.4	6%	0.063	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-6	-176.4	-52.4	-71.1	0	0	0	115.4	F452 L457 V461 W475 Y486 L489	F452-Y478 HydrophobicContact CD1-CD2 4.31Å; F452-Y478 HydrophobicContact CE1-CD2 4.15Å; L457-Y478 HydrophobicContact CD2-CE2 3.65Å; V461-Y478 HydrophobicContact CG2-CD2 4.41Å; V461-Y478 HydrophobicContact CG2-CE1 4.46Å; V461-Y478 HydrophobicContact CG2-CE2 3.74Å; W475-Y478 HydrophobicContact CZ2-CE2 4.03Å; Y478-Y486 AromaticContact CD1-CD1 3.84Å; Y478-Y486 HydrophobicContact CD1-CD1 3.84Å; Y478-Y486 AromaticContact CD1-CD2 3.58Å; Y478-Y486 HydrophobicContact CD1-CD2 3.58Å; Y478-Y486 HydrophobicContact CD1-CE1 4.24Å; Y478-Y486 HydrophobicContact CD1-CE2 4Å; Y478-Y486 AromaticContact CD1-CG 3.48Å; Y478-Y486 HydrophobicContact CD1-CG 3.48Å; Y478-Y486 VanDerWaalsContact CD1-CG 3.48Å; Y478-Y486 AromaticContact CE1-CD1 3.64Å; Y478-Y486 HydrophobicContact CE1-CD1 3.64Å; Y478-Y486 HydrophobicContact CE1-CD2 4.22Å; Y478-Y486 HydrophobicContact CE1-CE1 4.21Å; Y478-Y486 AromaticContact CE1-CG 3.64Å; Y478-Y486 HydrophobicContact CE1-CG 3.64Å; Y478-Y486 HydrophobicContact CG-CD2 4.42Å; Y478-L489 HydrophobicContact CD2-CD2 3.87Å; Y478-L489 HydrophobicContact CG-CD2 4.25Å
479	M	92.3	Very high	90.1	Very high	15 Å²	15	58.7 Å²	58.7	7%	0.074	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-23.6	166.4	-67.2	-57.7	-64.1	0	0	113.1	L402 F403 T432 F452 C477 R491 W495	L402-M479 HydrophobicContact CB-CE 4.25Å; L402-M479 HydrophobicContact CB-SD 4.01Å; L402-M479 HydrophobicContact CD1-SD 4.45Å; L402-M479 HydrophobicContact CD2-CE 4.06Å; F403-M479 HydrophobicContact CE1-SD 4.22Å; F403-M479 HydrophobicContact CE2-CG 4.49Å; F403-M479 HydrophobicContact CE2-SD 3.9Å; F403-M479 HydrophobicContact CZ-CG 4.09Å; F403-M479 HydrophobicContact CZ-SD 3.58Å; F403-M479 VanDerWaalsContact CZ-SD 3.58Å; T432-M479 HydrophobicContact CG2-CG 4.4Å; F452-M479 HydrophobicContact CZ-CG 4.33Å; C477-M479 PolarHBondContact O-N 3.44Å; M479-R491 HydrophobicContact CE-CG 4.23Å; M479-R491 PolarHBondContact O-NH1 3.15Å; M479-R491 HydrophobicContact SD-CG 3.89Å; M479-W495 HydrophobicContact CE-CD2 3.68Å; M479-W495 HydrophobicContact CE-CE3 3.81Å; M479-W495 HydrophobicContact CE-CG 4.12Å; M479-W495 HydrophobicContact CE-CH2 4.42Å; M479-W495 HydrophobicContact CE-CZ2 4.32Å; M479-W495 HydrophobicContact CE-CZ3 4.18Å
480	C	90.6	Very high	90.3	Very high	18 Å²	18	61.7 Å²	61.7	12%	0.122	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-10.4	-179.1	-73.3	0	0	0	0	114.2	N445 C448 C477 E523	N445-C480 HydrophobicContact CB-CB 4.38Å; N445-C480 WeakPolarHBondContact ND2-CB 3.25Å; N445-C480 PolarHBondContact ND2-SG 3.3Å; C448-C480 PolarHBondContact SG-SG 3.32Å; C477-C480 PolarHBondContact O-N 3.19Å; C480-E523 PolarHBondContact SG-OE1 2.97Å
481	Q	91	Very high	90.6	Very high	38 Å²	38	61.4 Å²	61.4	18%	0.178	30%	0.301	C	S	.	.	S	Bend	trans	-71.3	166.4	167.5	-66.5	-165	17	0	0	111.5	R476 C477 Y486 R491	R476-Q481 HydrophobicContact CB-CG 4.13Å; R476-Q481 WeakPolarHBondContact O-CG 3.27Å; R476-Q481 PolarHBondContact O-NE2 2.94Å; C477-Q481 PolarHBondContact O-N 2.84Å; Q481-Y486 HydrophobicContact CB-CE2 4.37Å; Q481-Y486 WeakPolarHBondContact CB-OH 3.21Å; Q481-Y486 PolarHBondContact OE1-OH 3.01Å; Q481-R491 PolarHBondContact O-NH1 3.23Å
482	P	88.5	Confident	91	Very high	88 Å²	88	53.2 Å²	53.2	57%	0.571	27%	0.269	S	S	*	.			trans	-53.5	161.2	172.5	-28.8	37.8	0	0	0	113.8	L484 Y486	P482-L484 HydrophobicContact CB-CD1 4.29Å; P482-L484 HydrophobicContact CB-CG 4.19Å; P482-L484 PolarHBondContact O-N 3.11Å; P482-Y486 PolarHBondContact O-OH 2.99Å
483	L	87.1	Confident	91.2	Very high	91 Å²	91	55.3 Å²	55.3	48%	0.476	28%	0.278	S	S	.	.	S	Bend	trans	-77.4	68.1	-179.5	-165.6	75.9	0	0	0	111.4	R491 H493	L483-R491 HydrophobicContact CD1-CB 4.19Å; L483-R491 HydrophobicContact CD1-CG 4.49Å; L483-R491 WeakPolarHBondContact CD1-O 3.33Å; L483-H493 HydrophobicContact CD2-CB 4.13Å
484	L	90.5	Very high	91.4	Very high	101 Å²	101	51.4 Å²	51.4	53%	0.529	26%	0.257	S	S	.	.			trans	-113.4	171.4	177.9	-60.1	175	0	0	0	111	P482 Y486	P482-L484 HydrophobicContact CB-CD1 4.29Å; P482-L484 HydrophobicContact CB-CG 4.19Å; P482-L484 PolarHBondContact O-N 3.11Å; L484-Y486 HydrophobicContact CB-CE2 3.83Å; L484-Y486 WeakPolarHBondContact O-CD2 3.39Å; L484-Y486 WeakPolarHBondContact O-CE2 3.25Å
485	Q	91	Very high	91.6	Very high	128 Å²	128	49.4 Å²	49.4	60%	0.598	24%	0.24	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-91.1	130.8	168.1	-174.6	169.9	-27.3	0	0	109.5	G487 K490	Q485-G487 WeakPolarHBondContact CG-O 3.44Å; Q485-G487 PolarHBondContact NE2-O 3.15Å; Q485-K490 HydrophobicContact CB-CD 4.15Å; Q485-K490 HydrophobicContact CG-CB 4.42Å; Q485-K490 HydrophobicContact CG-CD 4.49Å
486	Y	92.6	Very high	90.9	Very high	39 Å²	39	50.3 Å²	50.3	15%	0.153	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	95.4	-179.6	-62.9	-82.7	0	0	0	107.9	Y478 Q481 P482 L484 V488 L489	Y478-Y486 AromaticContact CD1-CD1 3.84Å; Y478-Y486 HydrophobicContact CD1-CD1 3.84Å; Y478-Y486 AromaticContact CD1-CD2 3.58Å; Y478-Y486 HydrophobicContact CD1-CD2 3.58Å; Y478-Y486 HydrophobicContact CD1-CE1 4.24Å; Y478-Y486 HydrophobicContact CD1-CE2 4Å; Y478-Y486 AromaticContact CD1-CG 3.48Å; Y478-Y486 HydrophobicContact CD1-CG 3.48Å; Y478-Y486 VanDerWaalsContact CD1-CG 3.48Å; Y478-Y486 AromaticContact CE1-CD1 3.64Å; Y478-Y486 HydrophobicContact CE1-CD1 3.64Å; Y478-Y486 HydrophobicContact CE1-CD2 4.22Å; Y478-Y486 HydrophobicContact CE1-CE1 4.21Å; Y478-Y486 AromaticContact CE1-CG 3.64Å; Y478-Y486 HydrophobicContact CE1-CG 3.64Å; Y478-Y486 HydrophobicContact CG-CD2 4.42Å; Q481-Y486 HydrophobicContact CB-CE2 4.37Å; Q481-Y486 WeakPolarHBondContact CB-OH 3.21Å; Q481-Y486 PolarHBondContact OE1-OH 3.01Å; P482-Y486 PolarHBondContact O-OH 2.99Å; L484-Y486 HydrophobicContact CB-CE2 3.83Å; L484-Y486 WeakPolarHBondContact O-CD2 3.39Å; L484-Y486 WeakPolarHBondContact O-CE2 3.25Å; Y486-V488 PolarHBondContact O-N 3.4Å; Y486-L489 PolarHBondContact N-O 3.12Å; Y486-L489 WeakPolarHBondContact O-CB 3.47Å; Y486-L489 PolarHBondContact O-N 3.34Å
487	G	91.8	Very high	90.4	Very high	22 Å²	22	48.8 Å²	48.8	23%	0.227	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.4	-114.4	-168.6	0	0	0	0	0	111.7	V461 Q485	V461-G487 VanDerWaalsContact O-CA 3.26Å; V461-G487 WeakPolarHBondContact O-CA 3.24Å; Q485-G487 WeakPolarHBondContact CG-O 3.44Å; Q485-G487 PolarHBondContact NE2-O 3.15Å
488	V	93.1	Very high	89.9	Confident	9 Å²	9	51 Å²	51	6%	0.055	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-9.1	166.7	-60	0	0	0	0	113	V374 V377 Q378 I384 L460 Y486 K490	V374-V488 HydrophobicContact CG1-CG1 4.06Å; V374-V488 HydrophobicContact CG1-CG2 4.38Å; V374-V488 HydrophobicContact CG2-CG2 3.84Å; V377-V488 HydrophobicContact CB-CG1 4.42Å; V377-V488 HydrophobicContact CG1-CG1 3.98Å; Q378-V488 HydrophobicContact CG-CG1 3.72Å; I384-V488 HydrophobicContact CD1-CB 4.01Å; I384-V488 HydrophobicContact CD1-CG2 4.18Å; I384-V488 VanDerWaalsContact CD1-O 3.23Å; I384-V488 WeakPolarHBondContact CD1-O 3.42Å; L460-V488 HydrophobicContact CB-CG2 4.38Å; L460-V488 HydrophobicContact CD2-CG2 4.43Å; L460-V488 VanDerWaalsContact O-CG2 3.29Å; L460-V488 WeakPolarHBondContact O-CG2 3.29Å; L460-V488 PolarHBondContact O-N 3.28Å; Y486-V488 PolarHBondContact O-N 3.4Å; V488-K490 PolarHBondContact O-N 3.16Å
489	L	95	Very high	89.1	Confident	4 Å²	4	50.5 Å²	50.5	2%	0.021	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	117.2	-179.6	-168.5	70.1	0	0	0	111	F403 V433 F452 L460 V461 Y478 Y486	F403-L489 HydrophobicContact CB-CD1 4.09Å; F403-L489 HydrophobicContact CD1-CD1 3.54Å; F403-L489 HydrophobicContact CD1-CD2 4.35Å; F403-L489 HydrophobicContact CD1-CG 3.71Å; F403-L489 HydrophobicContact CD2-CD1 4.26Å; F403-L489 HydrophobicContact CE1-CD1 4.02Å; F403-L489 HydrophobicContact CE1-CD2 3.99Å; F403-L489 HydrophobicContact CE1-CG 3.82Å; F403-L489 HydrophobicContact CG-CD1 3.7Å; F403-L489 HydrophobicContact CG-CG 4.38Å; F403-L489 HydrophobicContact CZ-CD2 4.35Å; V433-L489 HydrophobicContact CG2-CD1 4.38Å; F452-L489 HydrophobicContact CE1-CD2 4.4Å; L460-L489 HydrophobicContact CB-CB 4.26Å; L460-L489 HydrophobicContact CD1-CD1 4.36Å; L460-L489 PolarHBondContact O-N 3.19Å; L460-L489 VanDerWaalsContact O-N 3.14Å; V461-L489 HydrophobicContact CG2-CB 4.28Å; V461-L489 HydrophobicContact CG2-CD2 4.16Å; Y478-L489 HydrophobicContact CD2-CD2 3.87Å; Y478-L489 HydrophobicContact CG-CD2 4.25Å; Y486-L489 PolarHBondContact N-O 3.12Å; Y486-L489 WeakPolarHBondContact O-CB 3.47Å; Y486-L489 PolarHBondContact O-N 3.34Å
490	K	94.6	Very high	88	Confident	65 Å²	65	51.4 Å²	51.4	28%	0.283	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	123.8	177.4	-179.4	159.7	167.5	-87.4	0	110.4	F403 E404 Q485 V488	F403-K490 CarbonylContact C-O 3.58Å; F403-K490 WeakPolarHBondContact CA-O 3.26Å; E404-K490 HydrophobicContact CB-CB 4.4Å; E404-K490 PolarHBondContact N-O 2.84Å; E404-K490 IonicContact OE1-NZ 3.59Å; E404-K490 PolarHBondContact OE1-NZ 2.83Å; E404-K490 VanDerWaalsContact OE2-CD 3.32Å; E404-K490 WeakPolarHBondContact OE2-CD 3.39Å; E404-K490 IonicContact OE2-NZ 2.67Å; E404-K490 PolarHBondContact OE2-NZ 2.92Å; Q485-K490 HydrophobicContact CB-CD 4.15Å; Q485-K490 HydrophobicContact CG-CB 4.42Å; Q485-K490 HydrophobicContact CG-CD 4.49Å; V488-K490 PolarHBondContact O-N 3.16Å
491	R	94.8	Very high	87.3	Confident	44 Å²	44	55 Å²	55	17%	0.166	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-66.8	133.8	177.9	-175	-176	71.2	-155.3	-11.3	108.9	F403 M479 Q481 L483	F403-R491 HydrophobicContact CD1-CB 4.33Å; F403-R491 HydrophobicContact CE1-CB 4.15Å; M479-R491 HydrophobicContact CE-CG 4.23Å; M479-R491 PolarHBondContact O-NH1 3.15Å; M479-R491 HydrophobicContact SD-CG 3.89Å; Q481-R491 PolarHBondContact O-NH1 3.23Å; L483-R491 HydrophobicContact CD1-CB 4.19Å; L483-R491 HydrophobicContact CD1-CG 4.49Å; L483-R491 WeakPolarHBondContact CD1-O 3.33Å
492	R	93.1	Very high	86.6	Confident	18 Å²	18	53.4 Å²	53.4	7%	0.068	27%	0.268	C	S	.	.			trans	-63.7	144.9	174	-77.2	-175	-167	-79.9	-6.1	110.5	E385 H400 L402 F403 E404 G405 D494 W495	E385-R492 IonicContact OE1-CZ 2.79Å; E385-R492 IonicContact OE1-NH1 3.81Å; E385-R492 PolarHBondContact OE1-NH1 2.66Å; E385-R492 IonicContact OE1-NH2 2.84Å; E385-R492 PolarHBondContact OE1-NH2 2.86Å; H400-R492 PolarHBondContact O-NE 3.47Å; L402-R492 PolarHBondContact O-N 3.06Å; L402-R492 VanDerWaalsContact O-N 3.08Å; F403-R492 PolarHBondContact O-NE 3.37Å; F403-R492 PolarHBondContact O-NH2 3.22Å; E404-R492 HydrophobicContact CG-CG 3.86Å; G405-R492 PolarHBondContact O-NH2 3.25Å; R492-D494 WeakPolarHBondContact CB-OD1 3.26Å; R492-W495 HydrophobicContact CB-CB 3.85Å
493	H	89.3	Confident	85.5	Confident	143 Å²	143	50.3 Å²	50.3	66%	0.662	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76	-35.7	174.5	66.7	-79.6	0	0	0	110.9	L483 W495	L483-H493 HydrophobicContact CD2-CB 4.13Å; H493-W495 VanDerWaalsContact C-N 3.35Å
494	D	86.9	Confident	84.3	Confident	35 Å²	35	48.1 Å²	48.1	19%	0.187	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	16.9	177.1	63.1	-33.5	0	0	0	113.4	R492 S496 L497 K498	R492-D494 WeakPolarHBondContact CB-OD1 3.26Å; D494-S496 PolarHBondContact O-N 3.37Å; D494-L497 PolarHBondContact O-N 3.22Å; D494-K498 PolarHBondContact O-N 2.83Å; D494-K498 WeakPolarHBondContact OD2-CE 3.44Å; D494-K498 WeakPolarHBondContact OD2-CG 3.33Å
495	W	88.4	Confident	82.5	Confident	31 Å²	31	46.4 Å²	46.4	12%	0.117	23%	0.232	C	C	.	.	H	α-helix	trans	-53.8	-34	-170.1	74.5	-90.8	0	0	0	114.4	L402 M479 R492 H493 L499 A519	L402-W495 HydrophobicContact CD2-CD2 4.46Å; L402-W495 HydrophobicContact CD2-CE3 3.53Å; L402-W495 HydrophobicContact CD2-CZ3 4.06Å; M479-W495 HydrophobicContact CE-CD2 3.68Å; M479-W495 HydrophobicContact CE-CE3 3.81Å; M479-W495 HydrophobicContact CE-CG 4.12Å; M479-W495 HydrophobicContact CE-CH2 4.42Å; M479-W495 HydrophobicContact CE-CZ2 4.32Å; M479-W495 HydrophobicContact CE-CZ3 4.18Å; R492-W495 HydrophobicContact CB-CB 3.85Å; H493-W495 VanDerWaalsContact C-N 3.35Å; W495-L499 HydrophobicContact CE3-CD2 4.34Å; W495-L499 HydrophobicContact CZ3-CD2 3.99Å; W495-L499 WeakPolarHBondContact O-CB 3.47Å; W495-L499 PolarHBondContact O-N 2.98Å; W495-A519 HydrophobicContact CH2-CB 3.54Å; W495-A519 HydrophobicContact CZ2-CB 4.46Å; W495-A519 HydrophobicContact CZ3-CB 3.7Å
496	S	77.9	Confident	80.2	Confident	23 Å²	23	42.2 Å²	42.2	16%	0.161	21%	0.214	C	C	.	.	H	α-helix	trans	-70.4	-37.5	180	52.1	0	0	0	0	111.9	D494 Q500	D494-S496 PolarHBondContact O-N 3.37Å; S496-Q500 WeakPolarHBondContact O-CG 3.42Å; S496-Q500 PolarHBondContact O-N 3.45Å
497	L	81.3	Confident	77.8	Confident	97 Å²	97	49.5 Å²	49.5	51%	0.508	25%	0.246	S	C	.	.	H	α-helix	trans	-73.6	-42.3	173.8	-58.1	178.1	0	0	0	110.9	D494 L499 Q500 E501	D494-L497 PolarHBondContact O-N 3.22Å; L497-L499 VanDerWaalsContact C-N 3.31Å; L497-L499 PolarHBondContact O-N 3.24Å; L497-Q500 WeakPolarHBondContact O-CB 3.23Å; L497-Q500 PolarHBondContact O-N 2.91Å; L497-Q500 VanDerWaalsContact O-N 3.12Å; L497-E501 PolarHBondContact O-N 3.2Å
498	K	83.3	Confident	75.8	Confident	45 Å²	45	50.8 Å²	50.8	20%	0.196	26%	0.259	C	S	.	.	H	α-helix	trans	-62.7	-37.6	175.8	-72.4	-72.9	161.3	-157.8	0	112.3	F399 P401 D494 Q500 E501 F502	F399-K498 HydrophobicContact CD1-CD 4.34Å; F399-K498 HydrophobicContact CD2-CB 4.26Å; F399-K498 HydrophobicContact CD2-CD 3.94Å; F399-K498 HydrophobicContact CE1-CD 4.09Å; F399-K498 HydrophobicContact CE2-CB 3.78Å; F399-K498 HydrophobicContact CE2-CD 3.69Å; F399-K498 HydrophobicContact CE2-CG 4.31Å; F399-K498 VanDerWaalsContact CE2-O 3.31Å; F399-K498 WeakPolarHBondContact CE2-O 3.19Å; F399-K498 HydrophobicContact CG-CD 4.27Å; F399-K498 HydrophobicContact CZ-CB 4.46Å; F399-K498 HydrophobicContact CZ-CD 3.77Å; P401-K498 WeakPolarHBondContact O-CB 3.5Å; D494-K498 PolarHBondContact O-N 2.83Å; D494-K498 WeakPolarHBondContact OD2-CE 3.44Å; D494-K498 WeakPolarHBondContact OD2-CG 3.33Å; K498-Q500 VanDerWaalsContact C-N 3.34Å; K498-E501 WeakPolarHBondContact CD-OE2 3.35Å; K498-E501 WeakPolarHBondContact CE-OE2 3.49Å; K498-E501 IonicContact NZ-OE1 3.87Å; K498-E501 PolarHBondContact NZ-OE1 3.49Å; K498-E501 IonicContact NZ-OE2 2.7Å; K498-E501 PolarHBondContact NZ-OE2 3.13Å; K498-E501 PolarHBondContact O-N 3.06Å; K498-F502 VanDerWaalsContact O-CB 3.27Å; K498-F502 WeakPolarHBondContact O-CB 3.42Å; K498-F502 PolarHBondContact O-N 3.16Å
499	L	78.1	Confident	73.8	Confident	7 Å²	7	53.8 Å²	53.8	4%	0.037	27%	0.273	C	S	.	.	H	α-helix	trans	-62.5	-39.9	173	-172.6	64.8	0	0	0	111.8	P401 L402 Y420 W495 L497 F503	P401-L499 HydrophobicContact CB-CB 4.3Å; P401-L499 HydrophobicContact CB-CD1 3.89Å; P401-L499 HydrophobicContact CG-CD1 4.12Å; L402-L499 HydrophobicContact CD2-CD1 4.11Å; L402-L499 HydrophobicContact CD2-CD2 4.11Å; L402-L499 HydrophobicContact CD2-CG 4.49Å; Y420-L499 WeakPolarHBondContact OH-CD2 3.13Å; W495-L499 HydrophobicContact CE3-CD2 4.34Å; W495-L499 HydrophobicContact CZ3-CD2 3.99Å; W495-L499 WeakPolarHBondContact O-CB 3.47Å; W495-L499 PolarHBondContact O-N 2.98Å; L497-L499 VanDerWaalsContact C-N 3.31Å; L497-L499 PolarHBondContact O-N 3.24Å; L499-F503 HydrophobicContact CD1-CD2 4.34Å; L499-F503 HydrophobicContact CD1-CE2 3.88Å; L499-F503 VanDerWaalsContact O-CD2 3.3Å; L499-F503 WeakPolarHBondContact O-CD2 3.43Å
500	Q	69.4	Low	71.9	Confident	34 Å²	34	62 Å²	62	16%	0.159	31%	0.311	C	S	.	.	H	α-helix	trans	-63.9	-52.8	173.4	-63.6	162.6	-11.8	0	0	111.6	S496 L497 K498 F502 F503 A504 I516 Y517	S496-Q500 WeakPolarHBondContact O-CG 3.42Å; S496-Q500 PolarHBondContact O-N 3.45Å; L497-Q500 WeakPolarHBondContact O-CB 3.23Å; L497-Q500 PolarHBondContact O-N 2.91Å; L497-Q500 VanDerWaalsContact O-N 3.12Å; K498-Q500 VanDerWaalsContact C-N 3.34Å; Q500-F502 PolarHBondContact O-N 3.27Å; Q500-F503 CarbonylContact O-C 3.49Å; Q500-F503 PolarHBondContact O-N 3.01Å; Q500-A504 VanDerWaalsContact O-CB 3.24Å; Q500-A504 WeakPolarHBondContact O-CB 3.38Å; Q500-A504 PolarHBondContact O-N 2.67Å; Q500-I516 HydrophobicContact CB-CG2 4.16Å; Q500-I516 HydrophobicContact CG-CG2 3.62Å; Q500-Y517 PolarHBondContact NE2-O 3.4Å
501	E	75.6	Confident	70.6	Confident	94 Å²	94	61.8 Å²	61.8	44%	0.439	31%	0.31	S	S	.	.	H	α-helix	trans	-54.9	-38.6	179.8	-176.6	-173.4	160.4	0	0	112.1	F399 L497 K498 F503 A504	F399-E501 HydrophobicContact CE1-CG 4.23Å; F399-E501 WeakPolarHBondContact CE1-OE1 3.48Å; F399-E501 HydrophobicContact CZ-CB 4.08Å; F399-E501 HydrophobicContact CZ-CG 3.92Å; L497-E501 PolarHBondContact O-N 3.2Å; K498-E501 WeakPolarHBondContact CD-OE2 3.35Å; K498-E501 WeakPolarHBondContact CE-OE2 3.49Å; K498-E501 IonicContact NZ-OE1 3.87Å; K498-E501 PolarHBondContact NZ-OE1 3.49Å; K498-E501 IonicContact NZ-OE2 2.7Å; K498-E501 PolarHBondContact NZ-OE2 3.13Å; K498-E501 PolarHBondContact O-N 3.06Å; E501-F503 VanDerWaalsContact C-N 3.3Å; E501-F503 PolarHBondContact O-N 2.89Å; E501-A504 PolarHBondContact O-N 2.83Å
502	F	76.1	Confident	69.1	Low	3 Å²	3	68.3 Å²	68.3	1%	0.013	34%	0.343	C	S	.	.	H	α-helix	trans	-62.6	-33.2	177.3	-170.3	-94.2	0	0	0	113.5	T398 F399 P401 L407 K412 Y415 L416 K498 Q500	T398-F502 HydrophobicContact CG2-CD2 4.39Å; T398-F502 HydrophobicContact CG2-CE2 3.76Å; F399-F502 HydrophobicContact CE2-CB 4.05Å; F399-F502 HydrophobicContact CE2-CD2 4.14Å; F399-F502 HydrophobicContact CZ-CB 4.28Å; P401-F502 HydrophobicContact CB-CB 4.05Å; P401-F502 HydrophobicContact CB-CD2 4.35Å; P401-F502 HydrophobicContact CB-CG 4.13Å; P401-F502 HydrophobicContact CG-CB 4.49Å; P401-F502 HydrophobicContact CG-CD1 4.21Å; P401-F502 HydrophobicContact CG-CD2 4.17Å; P401-F502 HydrophobicContact CG-CE1 4.46Å; P401-F502 HydrophobicContact CG-CE2 4.42Å; P401-F502 HydrophobicContact CG-CG 4.05Å; L407-F502 HydrophobicContact CD1-CE2 3.71Å; L407-F502 HydrophobicContact CD1-CZ 3.71Å; K412-F502 HydrophobicContact CB-CZ 4.45Å; K412-F502 HydrophobicContact CG-CE2 3.99Å; K412-F502 HydrophobicContact CG-CZ 3.73Å; Y415-F502 HydrophobicContact CD1-CD1 4.4Å; Y415-F502 AromaticContact CD1-CE1 3.57Å; Y415-F502 HydrophobicContact CD1-CE1 3.57Å; Y415-F502 HydrophobicContact CD1-CZ 4.02Å; Y415-F502 HydrophobicContact CE1-CE1 4.19Å; Y415-F502 HydrophobicContact CG-CE1 4.29Å; Y415-F502 HydrophobicContact CG-CZ 4.32Å; L416-F502 HydrophobicContact CD2-CD1 3.74Å; L416-F502 HydrophobicContact CD2-CE1 3.44Å; L416-F502 VanDerWaalsContact CD2-CE1 3.44Å; L416-F502 HydrophobicContact CD2-CZ 4.41Å; L416-F502 HydrophobicContact CG-CD1 4.5Å; L416-F502 HydrophobicContact CG-CE1 3.72Å; L416-F502 HydrophobicContact CG-CZ 4.34Å; K498-F502 VanDerWaalsContact O-CB 3.27Å; K498-F502 WeakPolarHBondContact O-CB 3.42Å; K498-F502 PolarHBondContact O-N 3.16Å; Q500-F502 PolarHBondContact O-N 3.27Å
503	F	66.5	Low	67.6	Low	23 Å²	23	74 Å²	74	10%	0.101	37%	0.368	C	S	.	.	H	α-helix	trans	-95.3	-12.8	175.8	-73.8	-76.6	0	0	0	113.9	L416 Y420 L499 Q500 E501	L416-F503 HydrophobicContact CD2-CD1 3.6Å; L416-F503 HydrophobicContact CD2-CE1 3.48Å; L416-F503 VanDerWaalsContact CD2-CE1 3.48Å; L416-F503 HydrophobicContact CD2-CG 4.41Å; L416-F503 HydrophobicContact CD2-CZ 4.18Å; Y420-F503 HydrophobicContact CD2-CE2 4.38Å; Y420-F503 AromaticContact CD2-CZ 3.96Å; Y420-F503 HydrophobicContact CD2-CZ 3.96Å; Y420-F503 HydrophobicContact CE2-CD2 4.23Å; Y420-F503 HydrophobicContact CE2-CE1 4.25Å; Y420-F503 AromaticContact CE2-CE2 3.46Å; Y420-F503 HydrophobicContact CE2-CE2 3.46Å; Y420-F503 VanDerWaalsContact CE2-CE2 3.46Å; Y420-F503 AromaticContact CE2-CZ 3.47Å; Y420-F503 HydrophobicContact CE2-CZ 3.47Å; Y420-F503 VanDerWaalsContact CE2-CZ 3.47Å; L499-F503 HydrophobicContact CD1-CD2 4.34Å; L499-F503 HydrophobicContact CD1-CE2 3.88Å; L499-F503 VanDerWaalsContact O-CD2 3.3Å; L499-F503 WeakPolarHBondContact O-CD2 3.43Å; Q500-F503 CarbonylContact O-C 3.49Å; Q500-F503 PolarHBondContact O-N 3.01Å; E501-F503 VanDerWaalsContact C-N 3.3Å; E501-F503 PolarHBondContact O-N 2.89Å
504	A	61.5	Low	66.6	Low	45 Å²	45	69.5 Å²	69.5	37%	0.372	35%	0.352	S	S	.	.			trans	-104.7	83.7	-172.4	0	0	0	0	0	113.1	Q500 E501	Q500-A504 VanDerWaalsContact O-CB 3.24Å; Q500-A504 WeakPolarHBondContact O-CB 3.38Å; Q500-A504 PolarHBondContact O-N 2.67Å; E501-A504 PolarHBondContact O-N 2.83Å
505	N	51.7	Low	66.1	Low	65 Å²	65	72.6 Å²	72.6	35%	0.348	36%	0.363	S	S	.	.			trans	-116.6	45.6	-178.3	-78.8	-91.3	0	0	0	114.4	K507 T699 A700	N505-K507 PolarHBondContact O-N 2.91Å; N505-T699 WeakPolarHBondContact O-CB 3.37Å; N505-A700 HydrophobicContact CB-CB 3.95Å
506	D	44	Very low	65.6	Low	41 Å²	41	75.9 Å²	75.9	22%	0.219	38%	0.382	C	S	.	.			trans	-64.2	117.9	173.4	-81.7	-60.1	0	0	0	113.3	Q509	D506-Q509 PolarHBondContact OD1-NE2 2.83Å; D506-Q509 PolarHBondContact OD2-NE2 2.85Å
507	K	41.3	Very low	65.9	Low	191 Å²	191	75.7 Å²	75.7	83%	0.83	38%	0.378	S	S	*	.	S	Bend	trans	-126.4	58.1	162.4	-71.5	-163.3	174.2	-170.4	0	111.5	N505 T699	N505-K507 PolarHBondContact O-N 2.91Å; K507-T699 HydrophobicContact CB-CG2 4.38Å; K507-T699 PolarHBondContact N-OG1 3.31Å
508	G	50.3	Low	66.2	Low	49 Å²	49	74.3 Å²	74.3	51%	0.505	38%	0.375	S	S	.	.			trans	162.8	61.8	169.9	0	0	0	0	0	116.3
509	Q	50.9	Low	66.3	Low	73 Å²	73	72.6 Å²	72.6	34%	0.341	37%	0.369	S	S	.	.			trans	-107.8	138.7	174.4	-74.7	-175.3	-3.1	0	0	112.7	D506 F511	D506-Q509 PolarHBondContact OD1-NE2 2.83Å; D506-Q509 PolarHBondContact OD2-NE2 2.85Å; Q509-F511 VanDerWaalsContact C-N 3.29Å
510	E	55.2	Low	66.9	Low	177 Å²	177	73.4 Å²	73.4	83%	0.827	37%	0.374	S	S	*	.	S	Bend	trans	-84.9	-0.3	167.2	-61.8	-178.2	126.6	0	0	112.7
511	F	66.6	Low	67.8	Low	60 Å²	60	74.1 Å²	74.1	26%	0.263	38%	0.382	S	S	.	.	S	Bend	trans	-125.6	162.1	-173.2	-61.9	-79.5	0	0	0	111.1	Q509	Q509-F511 VanDerWaalsContact C-N 3.29Å
512	E	62.9	Low	68.4	Low	180 Å²	180	69.9 Å²	69.9	84%	0.841	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-70.7	149.7	173.5	-64.3	-166.7	163.3	0	0	111.9
513	K	63.3	Low	68.9	Low	138 Å²	138	74.8 Å²	74.8	60%	0.6	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-71.6	126.6	-179.6	-69.1	-172.8	174.4	-173.2	0	110.3
514	P	68	Low	70.1	Confident	49 Å²	49	80 Å²	80	32%	0.318	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-56.7	145.6	179	-26.6	34.6	0	0	0	113.1	I516 N691	P514-I516 VanDerWaalsContact O-CG1 3.27Å; P514-I516 WeakPolarHBondContact O-CG1 3.15Å; P514-I516 PolarHBondContact O-N 2.96Å; P514-I516 VanDerWaalsContact O-N 3.1Å; P514-N691 HydrophobicContact CB-CB 4.21Å
515	K	75.6	Confident	71.6	Confident	100 Å²	100	78.7 Å²	78.7	44%	0.435	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-54.8	117.5	172.7	-177.4	174.4	-179.6	175.9	0	109.8	Y517 E641 D642	K515-Y517 HydrophobicContact CD-CE1 3.81Å; K515-Y517 HydrophobicContact CG-CE1 4.07Å; K515-Y517 WeakPolarHBondContact O-CE2 3.4Å; K515-E641 PolarHBondContact NZ-O 3.15Å; K515-D642 WeakPolarHBondContact CE-OD1 3.46Å; K515-D642 IonicContact NZ-OD1 3.78Å; K515-D642 PolarHBondContact NZ-OD1 3.26Å
516	I	77.6	Confident	73.7	Confident	100 Å²	100	85.1 Å²	85.1	51%	0.513	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-96.5	129.5	179.3	-40.4	-178.3	0	0	0	108.7	Q500 P514	Q500-I516 HydrophobicContact CB-CG2 4.16Å; Q500-I516 HydrophobicContact CG-CG2 3.62Å; P514-I516 VanDerWaalsContact O-CG1 3.27Å; P514-I516 WeakPolarHBondContact O-CG1 3.15Å; P514-I516 PolarHBondContact O-N 2.96Å; P514-I516 VanDerWaalsContact O-N 3.1Å
517	Y	85.5	Confident	76.2	Confident	18 Å²	18	85.8 Å²	85.8	7%	0.071	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-98	139.8	-179	-57.1	-83.3	0	0	0	111	Q500 K515 R643 P644 F645 F646 Y808	Q500-Y517 PolarHBondContact NE2-O 3.4Å; K515-Y517 HydrophobicContact CD-CE1 3.81Å; K515-Y517 HydrophobicContact CG-CE1 4.07Å; K515-Y517 WeakPolarHBondContact O-CE2 3.4Å; Y517-R643 VanDerWaalsContact CE1-O 3.22Å; Y517-R643 WeakPolarHBondContact CE1-O 3.4Å; Y517-P644 HydrophobicContact CD1-CB 4.46Å; Y517-P644 HydrophobicContact CG-CB 4.22Å; Y517-F645 HydrophobicContact CE2-CB 4.5Å; Y517-F645 WeakPolarHBondContact CE2-O 3.08Å; Y517-F646 HydrophobicContact CD2-CE1 4.14Å; Y517-F646 HydrophobicContact CD2-CZ 4.2Å; Y517-Y808 WeakPolarHBondContact O-CE1 3.33Å; Y517-Y808 PolarHBondContact O-OH 3.08Å
518	P	86.1	Confident	78.9	Confident	69 Å²	69	76.7 Å²	76.7	45%	0.448	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-68.1	141.3	175.2	28.5	-33.9	0	0	0	111.1	Y808	P518-Y808 WeakPolarHBondContact O-CE1 3.41Å
519	A	87.1	Confident	81.2	Confident	8 Å²	8	76.7 Å²	76.7	7%	0.066	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-60.2	137.5	172.5	0	0	0	0	0	111.1	W495 D807	W495-A519 HydrophobicContact CH2-CB 3.54Å; W495-A519 HydrophobicContact CZ2-CB 4.46Å; W495-A519 HydrophobicContact CZ3-CB 3.7Å; A519-D807 HydrophobicContact CB-CB 4.14Å
520	V	90.3	Very high	83.5	Confident	25 Å²	25	73.2 Å²	73.2	15%	0.152	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-91.3	133.4	-170.3	-176.8	0	0	0	0	110	Q524 R525 P644 D807 Y808	V520-Q524 HydrophobicContact CG1-CB 3.84Å; V520-R525 HydrophobicContact CB-CG 4.11Å; V520-R525 HydrophobicContact CG1-CG 3.97Å; V520-R525 VanDerWaalsContact O-CZ 3.3Å; V520-R525 PolarHBondContact O-NE 3.25Å; V520-R525 PolarHBondContact O-NH2 3.29Å; V520-P644 HydrophobicContact CG2-CG 4.21Å; V520-D807 PolarHBondContact N-O 3.01Å; V520-Y808 HydrophobicContact CG2-CD1 4.26Å
521	P	87.6	Confident	85.5	Confident	49 Å²	49	64.8 Å²	64.8	32%	0.318	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-56.1	142.1	171.9	-24.9	34.8	0	0	0	112.1	E523 Q524 R525	P521-E523 PolarHBondContact O-N 3.31Å; P521-E523 VanDerWaalsContact O-N 3.1Å; P521-Q524 HydrophobicContact CB-CG 4.32Å; P521-Q524 PolarHBondContact O-N 3.46Å; P521-R525 WeakPolarHBondContact O-CG 3.47Å; P521-R525 PolarHBondContact O-N 3.45Å
522	A	88.1	Confident	87.1	Confident	4 Å²	4	62 Å²	62	3%	0.033	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-56.2	-35	-171.5	0	0	0	0	0	113.3	N447 C448 Q524 R525	N447-A522 HydrophobicContact CB-CB 4.46Å; N447-A522 WeakPolarHBondContact CB-O 3.34Å; N447-A522 PolarHBondContact ND2-O 3.15Å; C448-A522 HydrophobicContact CB-CB 3.92Å; A522-Q524 PolarHBondContact O-N 2.91Å; A522-R525 PolarHBondContact O-N 2.84Å
523	E	87.4	Confident	88.7	Confident	106 Å²	106	53.4 Å²	53.4	50%	0.495	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-70.5	-17.6	-179.9	-54.3	70.3	-152.5	0	0	112.9	N445 C480 P521	N445-E523 PolarHBondContact ND2-OE1 2.98Å; C480-E523 PolarHBondContact SG-OE1 2.97Å; P521-E523 PolarHBondContact O-N 3.31Å; P521-E523 VanDerWaalsContact O-N 3.1Å
524	Q	90.5	Very high	90.4	Very high	133 Å²	133	48.4 Å²	48.4	62%	0.621	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-108.6	-8.8	-177.3	-61	178.6	0.8	0	0	112.9	V520 P521 A522 R526	V520-Q524 HydrophobicContact CG1-CB 3.84Å; P521-Q524 HydrophobicContact CB-CG 4.32Å; P521-Q524 PolarHBondContact O-N 3.46Å; A522-Q524 PolarHBondContact O-N 2.91Å; Q524-R526 PolarHBondContact O-N 3.46Å
525	R	94.5	Very high	91.8	Very high	18 Å²	18	46.6 Å²	46.6	7%	0.068	23%	0.225	C	C	.	.			trans	-63.7	130.3	179.3	-71.1	175.1	-165.9	-171.8	-13.2	110.6	N447 V520 P521 A522 K806 D807 A810	N447-R525 HydrophobicContact CB-CB 4.07Å; N447-R525 PolarHBondContact O-NH1 3.48Å; V520-R525 HydrophobicContact CB-CG 4.11Å; V520-R525 HydrophobicContact CG1-CG 3.97Å; V520-R525 VanDerWaalsContact O-CZ 3.3Å; V520-R525 PolarHBondContact O-NE 3.25Å; V520-R525 PolarHBondContact O-NH2 3.29Å; P521-R525 WeakPolarHBondContact O-CG 3.47Å; P521-R525 PolarHBondContact O-N 3.45Å; A522-R525 PolarHBondContact O-N 2.84Å; R525-K806 PolarHBondContact NH1-O 3.15Å; R525-D807 IonicContact CZ-OD1 2.7Å; R525-D807 IonicContact NH1-OD1 3.03Å; R525-D807 PolarHBondContact NH2-O 3.03Å; R525-D807 IonicContact NH2-OD1 2.77Å; R525-D807 PolarHBondContact NH2-OD1 2.74Å; R525-A810 HydrophobicContact CB-CB 4.45Å
526	R	95.1	Very high	92.8	Very high	199 Å²	199	42.5 Å²	42.5	75%	0.751	21%	0.211	S	C	*	.	B	Isolated β-bridge	trans	-109.1	154.7	177.4	-61.9	-176.3	-175.6	-174.5	0.3	110.4	Q524 F809 A810	Q524-R526 PolarHBondContact O-N 3.46Å; R526-F809 CarbonylContact O-C 3.57Å; R526-F809 WeakPolarHBondContact O-CA 3.32Å; R526-A810 VanDerWaalsContact C-CB 3.44Å; R526-A810 PolarHBondContact O-N 3.1Å
527	P	97	Very high	93.7	Very high	55 Å²	55	37.8 Å²	37.8	36%	0.357	19%	0.187	S	C	.	.			trans	-48.9	149.2	168	-31.1	39	0	0	0	112.7	K550 D552 A810	P527-K550 CarbonylContact C-O 3.48Å; P527-K550 WeakPolarHBondContact CA-O 3.39Å; P527-K550 HydrophobicContact CB-CB 4.19Å; P527-K550 WeakPolarHBondContact CB-O 3.43Å; P527-K550 HydrophobicContact CG-CB 4.14Å; P527-D552 HydrophobicContact CB-CB 3.62Å; P527-A810 HydrophobicContact CG-CB 4.4Å
528	I	97.9	Very high	94.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	137.3	-177.6	-165.7	173.4	0	0	0	111.4	V530 L544 F549 K550 V551 D552 D596 L597 L805 F809	I528-V530 HydrophobicContact CD1-CG2 4.35Å; I528-V530 HydrophobicContact CG1-CG2 4.07Å; I528-V530 HydrophobicContact CG2-CG2 4.16Å; I528-L544 HydrophobicContact CD1-CD2 4.37Å; I528-F549 HydrophobicContact CG2-CB 4.35Å; I528-K550 PolarHBondContact N-O 3.32Å; I528-V551 HydrophobicContact CG2-CB 4.4Å; I528-V551 HydrophobicContact CG2-CG2 3.93Å; I528-D552 PolarHBondContact O-N 3.18Å; I528-D596 HydrophobicContact CG1-CB 4.48Å; I528-L597 HydrophobicContact CD1-CB 3.95Å; I528-L597 HydrophobicContact CD1-CD2 3.84Å; I528-L597 HydrophobicContact CG1-CB 4.36Å; I528-L805 HydrophobicContact CD1-CD1 4.47Å; I528-F809 HydrophobicContact CB-CB 4.04Å; I528-F809 HydrophobicContact CB-CD1 3.9Å; I528-F809 HydrophobicContact CB-CD2 4.41Å; I528-F809 HydrophobicContact CB-CG 3.84Å; I528-F809 HydrophobicContact CD1-CD1 4.48Å; I528-F809 HydrophobicContact CD1-CD2 3.71Å; I528-F809 HydrophobicContact CD1-CE2 3.89Å; I528-F809 HydrophobicContact CD1-CG 4.03Å; I528-F809 HydrophobicContact CD1-CZ 4.37Å; I528-F809 HydrophobicContact CG1-CD1 3.91Å; I528-F809 HydrophobicContact CG1-CD2 4.05Å; I528-F809 HydrophobicContact CG1-CE1 4.08Å; I528-F809 HydrophobicContact CG1-CE2 4.21Å; I528-F809 HydrophobicContact CG1-CG 3.9Å; I528-F809 HydrophobicContact CG1-CZ 4.24Å
529	R	98.3	Very high	94.9	Very high	50 Å²	50	33.8 Å²	33.8	19%	0.189	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	128.3	171.8	-62.5	179.6	74.3	-159.6	1.4	110.9	D552 Q553 W592 G593 P594 D596 L597	R529-D552 WeakPolarHBondContact CD-OD2 3.21Å; R529-D552 HydrophobicContact CG-CB 4.03Å; R529-D552 WeakPolarHBondContact CG-OD2 3.5Å; R529-D552 IonicContact NE-OD2 3.04Å; R529-D552 PolarHBondContact NE-OD2 3.11Å; R529-Q553 WeakPolarHBondContact CA-O 3.42Å; R529-Q553 HydrophobicContact CG-CB 4.33Å; R529-W592 PolarHBondContact NH2-O 3.22Å; R529-G593 PolarHBondContact NH1-O 3.45Å; R529-G593 PolarHBondContact NH2-O 3.04Å; R529-P594 VanDerWaalsContact NH1-CD 3.3Å; R529-P594 PolarHBondContact NH1-O 3.22Å; R529-P594 VanDerWaalsContact NH1-O 3.13Å; R529-D596 PolarHBondContact N-OD2 3.29Å; R529-D596 PolarHBondContact O-N 3.35Å; R529-L597 PolarHBondContact O-N 2.73Å; R529-L597 VanDerWaalsContact O-N 3.13Å
530	V	98.7	Very high	95.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	136.5	-164.2	-169.2	0	0	0	0	112.1	I528 L544 Q553 Y554 V555 L597 I599	I528-V530 HydrophobicContact CD1-CG2 4.35Å; I528-V530 HydrophobicContact CG1-CG2 4.07Å; I528-V530 HydrophobicContact CG2-CG2 4.16Å; V530-L544 HydrophobicContact CG2-CD1 3.78Å; V530-Q553 PolarHBondContact N-O 2.81Å; V530-Y554 HydrophobicContact CB-CD2 3.59Å; V530-Y554 HydrophobicContact CB-CE2 4.17Å; V530-Y554 HydrophobicContact CB-CG 4.26Å; V530-Y554 HydrophobicContact CG1-CD2 3.69Å; V530-Y554 HydrophobicContact CG1-CE2 3.72Å; V530-Y554 HydrophobicContact CG2-CD2 4.06Å; V530-Y554 WeakPolarHBondContact O-CA 3.33Å; V530-V555 PolarHBondContact O-N 2.85Å; V530-L597 WeakPolarHBondContact CA-O 3.43Å; V530-L597 HydrophobicContact CG1-CB 4.32Å; V530-L597 HydrophobicContact CG1-CD2 4.17Å; V530-L597 HydrophobicContact CG1-CG 4.18Å; V530-L597 HydrophobicContact CG2-CB 4.3Å; V530-L597 HydrophobicContact CG2-CD2 4.31Å; V530-I599 HydrophobicContact CG1-CD1 4.11Å; V530-I599 HydrophobicContact CG1-CG1 4.3Å
531	L	98.6	Very high	95.8	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	113.4	167.7	-179.8	64	0	0	0	109.3	L533 V555 I589 F595 L597 V598 I599	L531-L533 HydrophobicContact CD1-CD2 3.92Å; L531-L533 HydrophobicContact CD2-CD2 4.3Å; L531-L533 HydrophobicContact CG-CD2 3.9Å; L531-L533 HydrophobicContact CG-CG 4.21Å; L531-V555 HydrophobicContact CD1-CB 4.12Å; L531-V555 HydrophobicContact CD1-CG1 4.06Å; L531-I589 HydrophobicContact CD2-CD1 3.73Å; L531-F595 HydrophobicContact CB-CB 4.33Å; L531-F595 HydrophobicContact CB-CD1 3.82Å; L531-F595 HydrophobicContact CB-CD2 4.04Å; L531-F595 HydrophobicContact CB-CE1 4.02Å; L531-F595 HydrophobicContact CB-CE2 4.24Å; L531-F595 HydrophobicContact CB-CG 3.81Å; L531-F595 HydrophobicContact CB-CZ 4.21Å; L531-F595 HydrophobicContact CD1-CE1 4.49Å; L531-F595 HydrophobicContact CD1-CE2 4.29Å; L531-F595 HydrophobicContact CD1-CZ 4.07Å; L531-F595 HydrophobicContact CD2-CD2 4.18Å; L531-F595 HydrophobicContact CD2-CE2 4.18Å; L531-F595 HydrophobicContact CG-CE2 4.48Å; L531-L597 PolarHBondContact N-O 3.04Å; L531-V598 HydrophobicContact CB-CG2 4.37Å; L531-V598 HydrophobicContact CD2-CG1 4.34Å; L531-V598 WeakPolarHBondContact O-CA 3.46Å; L531-I599 PolarHBondContact O-N 3.48Å
532	S	98.5	Very high	96.2	Very high	0 Å²	0	31 Å²	31	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	120.1	178.3	-170.7	0	0	0	0	110.7	D535 Y554 V555 A556 S557	S532-D535 WeakPolarHBondContact CB-OD1 3.5Å; S532-D535 WeakPolarHBondContact OG-CB 3.4Å; S532-D535 PolarHBondContact OG-OD1 3.01Å; S532-Y554 WeakPolarHBondContact CB-OH 3.42Å; S532-Y554 PolarHBondContact OG-OH 3.34Å; S532-V555 PolarHBondContact N-O 3.23Å; S532-A556 CarbonylContact O-C 3.58Å; S532-A556 WeakPolarHBondContact O-CA 3.32Å; S532-S557 PolarHBondContact O-N 3Å
533	L	98.3	Very high	96.7	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	126.1	-177.3	-55.3	-179.8	0	0	0	109.3	L531 V581 I584 I599 G600 G601 F628 L631	L531-L533 HydrophobicContact CD1-CD2 3.92Å; L531-L533 HydrophobicContact CD2-CD2 4.3Å; L531-L533 HydrophobicContact CG-CD2 3.9Å; L531-L533 HydrophobicContact CG-CG 4.21Å; L533-V581 HydrophobicContact CD2-CG2 4.21Å; L533-I584 HydrophobicContact CD2-CD1 4.47Å; L533-I599 PolarHBondContact N-O 3.31Å; L533-G600 WeakPolarHBondContact O-CA 3.49Å; L533-G601 PolarHBondContact O-N 2.66Å; L533-F628 HydrophobicContact CB-CD2 4.33Å; L533-F628 HydrophobicContact CD1-CD2 3.9Å; L533-L631 HydrophobicContact CD1-CB 3.82Å; L533-L631 HydrophobicContact CD1-CD1 3.88Å; L533-L631 HydrophobicContact CD1-CG 4.48Å; L533-L631 HydrophobicContact CD2-CD1 3.9Å
534	F	97.6	Very high	97.1	Very high	33 Å²	33	25.8 Å²	25.8	15%	0.145	12%	0.117	C	C	.	.	S	Bend	trans	61.7	46.9	-167.4	-36.4	-73.9	0	0	0	111.4	G536 S557 V581 G601 L624 F628	F534-G536 PolarHBondContact O-N 2.86Å; F534-G536 VanDerWaalsContact O-N 3.11Å; F534-S557 WeakPolarHBondContact CA-O 3.3Å; F534-S557 PolarHBondContact N-O 2.97Å; F534-V581 HydrophobicContact CE1-CB 4.27Å; F534-V581 HydrophobicContact CE1-CG1 3.67Å; F534-V581 HydrophobicContact CZ-CB 4.33Å; F534-V581 HydrophobicContact CZ-CG1 3.79Å; F534-V581 HydrophobicContact CZ-CG2 4.25Å; F534-G601 WeakPolarHBondContact CB-O 3.45Å; F534-L624 HydrophobicContact CE1-CB 3.85Å; F534-L624 HydrophobicContact CE1-CD1 4.13Å; F534-L624 HydrophobicContact CE1-CD2 4.37Å; F534-L624 HydrophobicContact CE1-CG 4.34Å; F534-L624 HydrophobicContact CZ-CB 3.68Å; F534-L624 WeakPolarHBondContact CZ-O 3.46Å; F534-F628 HydrophobicContact CE2-CB 4.31Å
535	D	97.4	Very high	97.3	Very high	11 Å²	11	24.6 Å²	24.6	6%	0.059	11%	0.107	C	C	.	.			trans	-57.3	-27.4	-169.3	-177	62	0	0	0	114.4	S532 I537 A538 Y554 A556 S557 Y577	S532-D535 WeakPolarHBondContact CB-OD1 3.5Å; S532-D535 WeakPolarHBondContact OG-CB 3.4Å; S532-D535 PolarHBondContact OG-OD1 3.01Å; D535-I537 PolarHBondContact O-N 2.93Å; D535-A538 PolarHBondContact O-N 3.45Å; D535-A538 VanDerWaalsContact OD2-CA 3.25Å; D535-A538 WeakPolarHBondContact OD2-CA 3.15Å; D535-A538 PolarHBondContact OD2-N 3.07Å; D535-Y554 WeakPolarHBondContact OD1-CE1 3.37Å; D535-Y554 PolarHBondContact OD1-OH 3.43Å; D535-A556 HydrophobicContact CB-CB 3.93Å; D535-S557 PolarHBondContact N-O 2.95Å; D535-Y577 PolarHBondContact OD2-OH 2.9Å
536	G	96.2	Very high	97.2	Very high	14 Å²	14	26.2 Å²	26.2	14%	0.144	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	-134.2	-177.1	0	0	0	0	0	110.9	F534 A538 E558 S563	F534-G536 PolarHBondContact O-N 2.86Å; F534-G536 VanDerWaalsContact O-N 3.11Å; G536-A538 PolarHBondContact O-N 3.45Å; G536-E558 WeakPolarHBondContact CA-OE2 3.43Å; G536-E558 PolarHBondContact N-OE2 2.95Å; G536-S563 WeakPolarHBondContact O-CB 3.34Å
537	I	97.4	Very high	97	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.005	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	44.4	178.5	59.2	175.4	0	0	0	112.6	D535 T539 V566 F770 Y774 T775 L788 L789	D535-I537 PolarHBondContact O-N 2.93Å; I537-T539 VanDerWaalsContact C-N 3.29Å; I537-T539 PolarHBondContact O-N 3.14Å; I537-T539 VanDerWaalsContact O-N 3.15Å; I537-V566 HydrophobicContact CB-CB 4.22Å; I537-V566 HydrophobicContact CB-CG1 3.85Å; I537-V566 HydrophobicContact CG2-CB 3.95Å; I537-V566 HydrophobicContact CG2-CG1 4.03Å; I537-V566 HydrophobicContact CG2-CG2 4.07Å; I537-F770 HydrophobicContact CD1-CE1 3.9Å; I537-F770 HydrophobicContact CD1-CE2 4.28Å; I537-F770 HydrophobicContact CD1-CZ 3.77Å; I537-F770 HydrophobicContact CG1-CE1 4.21Å; I537-F770 HydrophobicContact CG1-CZ 4.16Å; I537-Y774 HydrophobicContact CB-CE1 4.08Å; I537-Y774 HydrophobicContact CD1-CD1 4.24Å; I537-Y774 HydrophobicContact CD1-CE1 4.06Å; I537-Y774 HydrophobicContact CG1-CE1 4.15Å; I537-Y774 VanDerWaalsContact O-CE1 3.32Å; I537-Y774 WeakPolarHBondContact O-CE1 3.49Å; I537-Y774 PolarHBondContact O-OH 2.91Å; I537-T775 HydrophobicContact CD1-CG2 3.9Å; I537-L788 HydrophobicContact CG2-CB 3.82Å; I537-L788 HydrophobicContact CG2-CD1 3.81Å; I537-L788 HydrophobicContact CG2-CD2 4.16Å; I537-L788 HydrophobicContact CG2-CG 4.16Å; I537-L789 HydrophobicContact CD1-CD2 4.19Å
538	A	97.9	Very high	96.8	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	42.8	174.9	0	0	0	0	0	114.7	D535 G536 G540 Y541 L542 H571 I575	D535-A538 PolarHBondContact O-N 3.45Å; D535-A538 VanDerWaalsContact OD2-CA 3.25Å; D535-A538 WeakPolarHBondContact OD2-CA 3.15Å; D535-A538 PolarHBondContact OD2-N 3.07Å; G536-A538 PolarHBondContact O-N 3.45Å; A538-G540 VanDerWaalsContact C-N 3.32Å; A538-G540 PolarHBondContact O-N 3.22Å; A538-Y541 PolarHBondContact O-N 2.86Å; A538-L542 WeakPolarHBondContact O-CB 3.32Å; A538-L542 PolarHBondContact O-N 2.82Å; A538-L542 VanDerWaalsContact O-N 3.08Å; A538-H571 VanDerWaalsContact CB-CD2 3.44Å; A538-H571 WeakPolarHBondContact CB-CD2 3.28Å; A538-I575 HydrophobicContact CB-CD1 3.45Å; A538-I575 VanDerWaalsContact CB-CD1 3.45Å
539	T	98.3	Very high	96.8	Very high	3 Å²	3	15.5 Å²	15.5	2%	0.018	8%	0.075	C	C	.	.	H	α-helix	trans	-70.4	-29.4	-174.6	-47.4	0	0	0	0	112.2	I537 V543 F770 W793 V795	I537-T539 VanDerWaalsContact C-N 3.29Å; I537-T539 PolarHBondContact O-N 3.14Å; I537-T539 VanDerWaalsContact O-N 3.15Å; T539-V543 WeakPolarHBondContact O-CG2 3.44Å; T539-V543 PolarHBondContact O-N 2.86Å; T539-F770 HydrophobicContact CG2-CE1 4.01Å; T539-F770 HydrophobicContact CG2-CZ 3.74Å; T539-F770 WeakPolarHBondContact OG1-CZ 3.41Å; T539-W793 HydrophobicContact CG2-CB 4Å; T539-V795 HydrophobicContact CG2-CG2 4.22Å
540	G	97.9	Very high	96.7	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.01	8%	0.081	C	C	.	.	H	α-helix	trans	-64.2	-52.9	173.5	0	0	0	0	0	112.1	A538 L542 V543 L544 Y554	A538-G540 VanDerWaalsContact C-N 3.32Å; A538-G540 PolarHBondContact O-N 3.22Å; G540-L542 PolarHBondContact O-N 2.86Å; G540-V543 PolarHBondContact O-N 2.96Å; G540-L544 WeakPolarHBondContact O-CG 3.32Å; G540-L544 PolarHBondContact O-N 3.42Å; G540-Y554 WeakPolarHBondContact CA-OH 3.49Å
541	Y	98.2	Very high	96.6	Very high	23 Å²	23	18.3 Å²	18.3	9%	0.09	9%	0.092	C	C	.	.	H	α-helix	trans	-59.2	-45.1	178.1	-167.8	-83.3	0	0	0	112.1	A538 V543 L544 R545 V551 Y554 H571 K574 I575	A538-Y541 PolarHBondContact O-N 2.86Å; Y541-V543 VanDerWaalsContact C-N 3.33Å; Y541-V543 PolarHBondContact O-N 3.36Å; Y541-L544 PolarHBondContact O-N 3.4Å; Y541-R545 HydrophobicContact CE1-CB 4.49Å; Y541-R545 WeakPolarHBondContact O-CB 3.4Å; Y541-R545 PolarHBondContact O-N 3.11Å; Y541-V551 HydrophobicContact CE2-CB 4.41Å; Y541-V551 HydrophobicContact CE2-CG1 4.15Å; Y541-Y554 HydrophobicContact CD2-CD1 4.17Å; Y541-Y554 AromaticContact CD2-CD2 3.72Å; Y541-Y554 HydrophobicContact CD2-CD2 3.72Å; Y541-Y554 HydrophobicContact CD2-CE2 4.3Å; Y541-Y554 AromaticContact CD2-CG 3.63Å; Y541-Y554 HydrophobicContact CD2-CG 3.63Å; Y541-Y554 HydrophobicContact CE2-CG 4.5Å; Y541-Y554 HydrophobicContact CG-CD2 4.38Å; Y541-Y554 HydrophobicContact CG-CG 4.49Å; Y541-Y554 VanDerWaalsContact N-CE2 3.33Å; Y541-Y554 PolarHBondContact N-OH 3.22Å; Y541-Y554 VanDerWaalsContact N-OH 3.07Å; Y541-H571 HydrophobicContact CD1-CB 3.85Å; Y541-H571 AromaticContact CD1-CD2 3.98Å; Y541-H571 AromaticContact CD1-CE1 3.81Å; Y541-H571 AromaticContact CD1-CG 3.42Å; Y541-H571 VanDerWaalsContact CD1-CG 3.42Å; Y541-H571 AromaticContact CD1-ND1 3.34Å; Y541-H571 VanDerWaalsContact CD1-ND1 3.34Å; Y541-H571 WeakPolarHBondContact CD1-ND1 3.27Å; Y541-H571 HydrophobicContact CE1-CB 3.79Å; Y541-H571 AromaticContact CE1-CG 3.82Å; Y541-H571 AromaticContact CE1-ND1 3.71Å; Y541-K574 HydrophobicContact CE2-CB 4.43Å; Y541-K574 WeakPolarHBondContact OH-CB 3.45Å; Y541-K574 WeakPolarHBondContact OH-CD 3.25Å; Y541-I575 HydrophobicContact CD2-CD1 4.33Å; Y541-I575 HydrophobicContact CD2-CG1 3.9Å; Y541-I575 HydrophobicContact CE2-CG1 4.37Å; Y541-I575 HydrophobicContact CG-CD1 4.01Å; Y541-I575 HydrophobicContact CG-CG1 4.08Å
542	L	97.5	Very high	96.5	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-52.1	-50.8	174.8	173.7	63.1	0	0	0	111.4	A538 G540 R545 D546 F770 P771 Y774 V795	A538-L542 WeakPolarHBondContact O-CB 3.32Å; A538-L542 PolarHBondContact O-N 2.82Å; A538-L542 VanDerWaalsContact O-N 3.08Å; G540-L542 PolarHBondContact O-N 2.86Å; L542-R545 VanDerWaalsContact CD1-NH2 3.29Å; L542-R545 PolarHBondContact O-N 3.45Å; L542-D546 VanDerWaalsContact O-CB 3.31Å; L542-D546 WeakPolarHBondContact O-CB 3.45Å; L542-D546 PolarHBondContact O-N 3.02Å; L542-F770 HydrophobicContact CD2-CD1 3.45Å; L542-F770 VanDerWaalsContact CD2-CD1 3.45Å; L542-F770 HydrophobicContact CD2-CE1 3.66Å; L542-P771 HydrophobicContact CD1-CG 4.36Å; L542-Y774 HydrophobicContact CD1-CE2 4.13Å; L542-Y774 HydrophobicContact CD2-CD2 4.43Å; L542-Y774 HydrophobicContact CD2-CE2 3.94Å; L542-Y774 HydrophobicContact CG-CE2 4.47Å; L542-V795 HydrophobicContact CD2-CG2 4.01Å
543	V	96.8	Very high	96.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-68.3	-36.5	-179.2	170.7	0	0	0	0	112.8	T539 G540 Y541 D546 L547 V795 I798 R799 F802	T539-V543 WeakPolarHBondContact O-CG2 3.44Å; T539-V543 PolarHBondContact O-N 2.86Å; G540-V543 PolarHBondContact O-N 2.96Å; Y541-V543 VanDerWaalsContact C-N 3.33Å; Y541-V543 PolarHBondContact O-N 3.36Å; V543-D546 PolarHBondContact O-N 2.97Å; V543-L547 HydrophobicContact CG1-CD1 3.83Å; V543-L547 HydrophobicContact CG1-CG 4.4Å; V543-L547 VanDerWaalsContact O-CB 3.31Å; V543-L547 WeakPolarHBondContact O-CB 3.22Å; V543-L547 WeakPolarHBondContact O-CG 3.4Å; V543-L547 PolarHBondContact O-N 3.15Å; V543-V795 HydrophobicContact CG2-CG1 3.96Å; V543-I798 HydrophobicContact CB-CG2 4.12Å; V543-I798 HydrophobicContact CG1-CG2 4.09Å; V543-I798 HydrophobicContact CG2-CB 4Å; V543-I798 HydrophobicContact CG2-CG2 4.03Å; V543-R799 VanDerWaalsContact CG1-CA 3.47Å; V543-R799 HydrophobicContact CG1-CB 4.09Å; V543-F802 HydrophobicContact CB-CD2 4.33Å; V543-F802 HydrophobicContact CG1-CB 4.25Å; V543-F802 HydrophobicContact CG1-CD2 3.83Å; V543-F802 HydrophobicContact CG1-CG 4.35Å
544	L	97	Very high	96.4	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-63.5	-43.9	176.6	-70.6	167.6	0	0	0	111.1	I528 V530 G540 Y541 L547 G548 F549 V551 Y554 L597 F802	I528-L544 HydrophobicContact CD1-CD2 4.37Å; V530-L544 HydrophobicContact CG2-CD1 3.78Å; G540-L544 WeakPolarHBondContact O-CG 3.32Å; G540-L544 PolarHBondContact O-N 3.42Å; Y541-L544 PolarHBondContact O-N 3.4Å; L544-L547 PolarHBondContact O-N 3.26Å; L544-G548 PolarHBondContact O-N 3.34Å; L544-F549 HydrophobicContact CB-CB 4.42Å; L544-F549 HydrophobicContact CB-CD2 4.37Å; L544-F549 HydrophobicContact CD2-CB 4.49Å; L544-F549 HydrophobicContact CD2-CD2 3.67Å; L544-F549 HydrophobicContact CD2-CE2 4.06Å; L544-F549 HydrophobicContact CD2-CG 4.16Å; L544-F549 WeakPolarHBondContact O-CB 3.38Å; L544-F549 WeakPolarHBondContact O-CD2 3.3Å; L544-F549 PolarHBondContact O-N 2.7Å; L544-V551 HydrophobicContact CB-CG2 4.03Å; L544-V551 HydrophobicContact CD1-CG2 4.39Å; L544-Y554 HydrophobicContact CD1-CD2 4.21Å; L544-Y554 HydrophobicContact CD1-CE2 4.1Å; L544-L597 HydrophobicContact CD2-CD2 4.43Å; L544-F802 HydrophobicContact CD2-CD2 3.85Å; L544-F802 HydrophobicContact CD2-CE2 4.35Å; L544-F802 HydrophobicContact CG-CD2 4.04Å; L544-F802 HydrophobicContact CG-CE2 4.21Å
545	R	95.1	Very high	96.5	Very high	108 Å²	108	23.7 Å²	23.7	41%	0.408	12%	0.121	S	C	.	.	H	α-helix	trans	-67.6	-43.6	175	-172.5	-152.4	66.8	-170	2	112.4	Y541 L542 L547 G548	Y541-R545 HydrophobicContact CE1-CB 4.49Å; Y541-R545 WeakPolarHBondContact O-CB 3.4Å; Y541-R545 PolarHBondContact O-N 3.11Å; L542-R545 VanDerWaalsContact CD1-NH2 3.29Å; L542-R545 PolarHBondContact O-N 3.45Å; R545-L547 PolarHBondContact O-N 2.64Å; R545-G548 WeakPolarHBondContact O-CA 3.42Å; R545-G548 PolarHBondContact O-N 3.26Å
546	D	91.9	Very high	96.5	Very high	53 Å²	53	23.1 Å²	23.1	28%	0.283	12%	0.118	S	C	.	.	H	α-helix	trans	-66.9	-20.1	177.3	-71.3	3.2	0	0	0	112.5	L542 V543	L542-D546 VanDerWaalsContact O-CB 3.31Å; L542-D546 WeakPolarHBondContact O-CB 3.45Å; L542-D546 PolarHBondContact O-N 3.02Å; V543-D546 PolarHBondContact O-N 2.97Å
547	L	90.7	Very high	96.6	Very high	7 Å²	7	22.6 Å²	22.6	4%	0.037	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-5.8	167.8	-76.7	171.2	0	0	0	112.7	V543 L544 R545 F549 R799 F802 K806	V543-L547 HydrophobicContact CG1-CD1 3.83Å; V543-L547 HydrophobicContact CG1-CG 4.4Å; V543-L547 VanDerWaalsContact O-CB 3.31Å; V543-L547 WeakPolarHBondContact O-CB 3.22Å; V543-L547 WeakPolarHBondContact O-CG 3.4Å; V543-L547 PolarHBondContact O-N 3.15Å; L544-L547 PolarHBondContact O-N 3.26Å; R545-L547 PolarHBondContact O-N 2.64Å; L547-F549 HydrophobicContact CB-CD2 3.71Å; L547-F549 HydrophobicContact CB-CE2 3.72Å; L547-F549 HydrophobicContact CD1-CD2 4.48Å; L547-F549 HydrophobicContact CD1-CE2 3.83Å; L547-F549 HydrophobicContact CG-CE2 4.41Å; L547-R799 HydrophobicContact CD1-CG 4.35Å; L547-R799 HydrophobicContact CD2-CG 3.85Å; L547-R799 HydrophobicContact CG-CG 4.08Å; L547-F802 HydrophobicContact CD1-CB 3.83Å; L547-K806 WeakPolarHBondContact O-CE 3.23Å; L547-K806 PolarHBondContact O-NZ 2.82Å
548	G	93.8	Very high	96.6	Very high	16 Å²	16	24 Å²	24	17%	0.165	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.8	33	-178.8	0	0	0	0	0	113.8	L544 R545 C811 E812	L544-G548 PolarHBondContact O-N 3.34Å; R545-G548 WeakPolarHBondContact O-CA 3.42Å; R545-G548 PolarHBondContact O-N 3.26Å; G548-C811 CarbonylContact O-C 3.54Å; G548-C811 WeakPolarHBondContact O-CA 2.91Å; G548-C811 VanDerWaalsContact O-CB 3.3Å; G548-C811 WeakPolarHBondContact O-CB 3.45Å; G548-E812 PolarHBondContact O-N 2.69Å
549	F	96.1	Very high	96.5	Very high	6 Å²	6	28.2 Å²	28.2	3%	0.026	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-75.2	136.3	169.9	-75.4	-80.3	0	0	0	111.2	I528 L544 L547 V551 L805 K806 F809	I528-F549 HydrophobicContact CG2-CB 4.35Å; L544-F549 HydrophobicContact CB-CB 4.42Å; L544-F549 HydrophobicContact CB-CD2 4.37Å; L544-F549 HydrophobicContact CD2-CB 4.49Å; L544-F549 HydrophobicContact CD2-CD2 3.67Å; L544-F549 HydrophobicContact CD2-CE2 4.06Å; L544-F549 HydrophobicContact CD2-CG 4.16Å; L544-F549 WeakPolarHBondContact O-CB 3.38Å; L544-F549 WeakPolarHBondContact O-CD2 3.3Å; L544-F549 PolarHBondContact O-N 2.7Å; L547-F549 HydrophobicContact CB-CD2 3.71Å; L547-F549 HydrophobicContact CB-CE2 3.72Å; L547-F549 HydrophobicContact CD1-CD2 4.48Å; L547-F549 HydrophobicContact CD1-CE2 3.83Å; L547-F549 HydrophobicContact CG-CE2 4.41Å; F549-V551 HydrophobicContact CB-CG2 4.45Å; F549-V551 PolarHBondContact O-N 3.48Å; F549-L805 HydrophobicContact CE1-CB 4.07Å; F549-L805 HydrophobicContact CZ-CB 3.68Å; F549-K806 HydrophobicContact CE1-CB 4.43Å; F549-K806 HydrophobicContact CE1-CG 3.86Å; F549-K806 HydrophobicContact CE2-CG 4.07Å; F549-K806 HydrophobicContact CZ-CB 4.26Å; F549-K806 HydrophobicContact CZ-CG 3.45Å; F549-K806 VanDerWaalsContact CZ-CG 3.45Å; F549-F809 HydrophobicContact CD1-CB 4.1Å; F549-F809 HydrophobicContact CE1-CB 4.15Å
550	K	96.3	Very high	96.4	Very high	70 Å²	70	29.4 Å²	29.4	30%	0.304	15%	0.152	S	C	.	.			trans	-72.8	109.7	163.8	-68.8	-173.4	171.4	100	0	108	P527 I528 A810 C811 E812	P527-K550 CarbonylContact C-O 3.48Å; P527-K550 WeakPolarHBondContact CA-O 3.39Å; P527-K550 HydrophobicContact CB-CB 4.19Å; P527-K550 WeakPolarHBondContact CB-O 3.43Å; P527-K550 HydrophobicContact CG-CB 4.14Å; I528-K550 PolarHBondContact N-O 3.32Å; K550-A810 HydrophobicContact CB-CB 4.15Å; K550-A810 HydrophobicContact CD-CB 4.36Å; K550-A810 PolarHBondContact N-O 2.68Å; K550-C811 PolarHBondContact NZ-O 3.12Å; K550-E812 HydrophobicContact CG-CG 4Å; K550-E812 VanDerWaalsContact NZ-C 3.29Å; K550-E812 VanDerWaalsContact NZ-CA 3.3Å; K550-E812 PolarHBondContact NZ-OXT 2.68Å
551	V	97.1	Very high	96.2	Very high	38 Å²	38	35.7 Å²	35.7	23%	0.23	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	118.5	177.5	-176.8	0	0	0	0	108.8	I528 Y541 L544 F549	I528-V551 HydrophobicContact CG2-CB 4.4Å; I528-V551 HydrophobicContact CG2-CG2 3.93Å; Y541-V551 HydrophobicContact CE2-CB 4.41Å; Y541-V551 HydrophobicContact CE2-CG1 4.15Å; L544-V551 HydrophobicContact CB-CG2 4.03Å; L544-V551 HydrophobicContact CD1-CG2 4.39Å; F549-V551 HydrophobicContact CB-CG2 4.45Å; F549-V551 PolarHBondContact O-N 3.48Å
552	D	96.5	Very high	96.1	Very high	106 Å²	106	37 Å²	37	57%	0.567	19%	0.19	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-83.6	-41.8	177.9	167.2	76.4	0	0	0	111.3	P527 I528 R529	P527-D552 HydrophobicContact CB-CB 3.62Å; I528-D552 PolarHBondContact O-N 3.18Å; R529-D552 WeakPolarHBondContact CD-OD2 3.21Å; R529-D552 HydrophobicContact CG-CB 4.03Å; R529-D552 WeakPolarHBondContact CG-OD2 3.5Å; R529-D552 IonicContact NE-OD2 3.04Å; R529-D552 PolarHBondContact NE-OD2 3.11Å
553	Q	96.8	Very high	96.1	Very high	38 Å²	38	37.1 Å²	37.1	18%	0.178	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	137.3	176.7	-161	-178.6	3	0	0	111.1	R529 V530 V555 W592	R529-Q553 WeakPolarHBondContact CA-O 3.42Å; R529-Q553 HydrophobicContact CG-CB 4.33Å; V530-Q553 PolarHBondContact N-O 2.81Å; Q553-V555 HydrophobicContact CG-CG2 3.98Å; Q553-W592 PolarHBondContact OE1-O 2.82Å
554	Y	98.5	Very high	96.1	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.008	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	104.3	171.4	-168.8	-80.6	0	0	0	108.8	V530 S532 D535 G540 Y541 L544 A556 I575 Q576 I599	V530-Y554 HydrophobicContact CB-CD2 3.59Å; V530-Y554 HydrophobicContact CB-CE2 4.17Å; V530-Y554 HydrophobicContact CB-CG 4.26Å; V530-Y554 HydrophobicContact CG1-CD2 3.69Å; V530-Y554 HydrophobicContact CG1-CE2 3.72Å; V530-Y554 HydrophobicContact CG2-CD2 4.06Å; V530-Y554 WeakPolarHBondContact O-CA 3.33Å; S532-Y554 WeakPolarHBondContact CB-OH 3.42Å; S532-Y554 PolarHBondContact OG-OH 3.34Å; D535-Y554 WeakPolarHBondContact OD1-CE1 3.37Å; D535-Y554 PolarHBondContact OD1-OH 3.43Å; G540-Y554 WeakPolarHBondContact CA-OH 3.49Å; Y541-Y554 HydrophobicContact CD2-CD1 4.17Å; Y541-Y554 AromaticContact CD2-CD2 3.72Å; Y541-Y554 HydrophobicContact CD2-CD2 3.72Å; Y541-Y554 HydrophobicContact CD2-CE2 4.3Å; Y541-Y554 AromaticContact CD2-CG 3.63Å; Y541-Y554 HydrophobicContact CD2-CG 3.63Å; Y541-Y554 HydrophobicContact CE2-CG 4.5Å; Y541-Y554 HydrophobicContact CG-CD2 4.38Å; Y541-Y554 HydrophobicContact CG-CG 4.49Å; Y541-Y554 VanDerWaalsContact N-CE2 3.33Å; Y541-Y554 PolarHBondContact N-OH 3.22Å; Y541-Y554 VanDerWaalsContact N-OH 3.07Å; L544-Y554 HydrophobicContact CD1-CD2 4.21Å; L544-Y554 HydrophobicContact CD1-CE2 4.1Å; Y554-A556 HydrophobicContact CD1-CB 4.26Å; Y554-A556 HydrophobicContact CE1-CB 4.07Å; Y554-I575 HydrophobicContact CD1-CB 4.39Å; Y554-I575 HydrophobicContact CD1-CD1 4.31Å; Y554-I575 HydrophobicContact CD1-CG1 3.89Å; Y554-I575 HydrophobicContact CD1-CG2 3.9Å; Y554-I575 HydrophobicContact CE1-CD1 4.26Å; Y554-I575 HydrophobicContact CE1-CG1 4.34Å; Y554-I575 HydrophobicContact CE1-CG2 4.3Å; Y554-Q576 PolarHBondContact O-N 2.77Å; Y554-I599 HydrophobicContact CE2-CD1 4.49Å
555	V	98.4	Very high	96	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	126.8	178.8	-178.1	0	0	0	0	108.7	V530 L531 S532 Q553 Q576 V578 W592 F595	V530-V555 PolarHBondContact O-N 2.85Å; L531-V555 HydrophobicContact CD1-CB 4.12Å; L531-V555 HydrophobicContact CD1-CG1 4.06Å; S532-V555 PolarHBondContact N-O 3.23Å; Q553-V555 HydrophobicContact CG-CG2 3.98Å; V555-Q576 WeakPolarHBondContact CA-O 3.44Å; V555-Q576 HydrophobicContact CG2-CB 4.33Å; V555-V578 HydrophobicContact CG1-CB 4.42Å; V555-V578 HydrophobicContact CG1-CG1 3.68Å; V555-V578 HydrophobicContact CG1-CG2 3.82Å; V555-W592 HydrophobicContact CG1-CD2 4.32Å; V555-W592 HydrophobicContact CG1-CE3 3.77Å; V555-W592 HydrophobicContact CG1-CZ3 4.08Å; V555-W592 HydrophobicContact CG2-CB 4.36Å; V555-F595 HydrophobicContact CB-CE1 3.94Å; V555-F595 HydrophobicContact CB-CZ 4.05Å; V555-F595 HydrophobicContact CG2-CE1 3.66Å; V555-F595 HydrophobicContact CG2-CZ 3.85Å
556	A	98.4	Very high	96.1	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	126.1	-171.3	0	0	0	0	0	112.6	S532 D535 Y554 I575 Q576 Y577 V578	S532-A556 CarbonylContact O-C 3.58Å; S532-A556 WeakPolarHBondContact O-CA 3.32Å; D535-A556 HydrophobicContact CB-CB 3.93Å; Y554-A556 HydrophobicContact CD1-CB 4.26Å; Y554-A556 HydrophobicContact CE1-CB 4.07Å; A556-I575 HydrophobicContact CB-CG2 3.42Å; A556-I575 VanDerWaalsContact CB-CG2 3.42Å; A556-Q576 PolarHBondContact N-O 3.42Å; A556-Y577 HydrophobicContact CB-CD1 3.63Å; A556-Y577 HydrophobicContact CB-CE1 3.45Å; A556-Y577 VanDerWaalsContact CB-CE1 3.45Å; A556-Y577 HydrophobicContact CB-CG 4.43Å; A556-Y577 CarbonylContact O-C 3.47Å; A556-Y577 WeakPolarHBondContact O-CA 3.39Å; A556-V578 WeakPolarHBondContact O-CG2 3.45Å; A556-V578 PolarHBondContact O-N 3.23Å
557	S	98.3	Very high	96.4	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.014	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	117.5	170.8	-173	0	0	0	0	110.3	S532 F534 D535 H579 V581	S532-S557 PolarHBondContact O-N 3Å; F534-S557 WeakPolarHBondContact CA-O 3.3Å; F534-S557 PolarHBondContact N-O 2.97Å; D535-S557 PolarHBondContact N-O 2.95Å; S557-H579 PolarHBondContact OG-O 2.6Å; S557-V581 WeakPolarHBondContact OG-CA 3.46Å; S557-V581 PolarHBondContact OG-N 2.83Å
558	E	97.4	Very high	96.6	Very high	32 Å²	32	35.2 Å²	35.2	15%	0.15	19%	0.193	C	C	.	.			trans	-150.7	154.5	176.6	176.3	55.8	-95.6	0	0	108.1	G536 C560 I564 Y577	G536-E558 WeakPolarHBondContact CA-OE2 3.43Å; G536-E558 PolarHBondContact N-OE2 2.95Å; E558-C560 HydrophobicContact CG-CB 4.44Å; E558-C560 WeakPolarHBondContact OE1-CB 3.37Å; E558-C560 PolarHBondContact OE1-N 2.91Å; E558-I564 HydrophobicContact CB-CG1 4.15Å; E558-I564 HydrophobicContact CG-CG1 3.91Å; E558-Y577 HydrophobicContact CB-CD1 4.47Å; E558-Y577 HydrophobicContact CB-CE1 4.23Å
559	V	96.4	Very high	96.7	Very high	87 Å²	87	38.3 Å²	38.3	53%	0.527	21%	0.208	S	C	.	.			trans	-129.5	3.3	-176.3	-60.1	0	0	0	0	112.9	D580	V559-D580 HydrophobicContact CG1-CB 3.7Å
560	C	94.9	Very high	96.7	Very high	29 Å²	29	41.9 Å²	41.9	20%	0.196	22%	0.222	C	C	.	.			trans	-100.4	107.6	177.8	-157.7	0	0	0	0	109.4	E558 D562 S563 I564	E558-C560 HydrophobicContact CG-CB 4.44Å; E558-C560 WeakPolarHBondContact OE1-CB 3.37Å; E558-C560 PolarHBondContact OE1-N 2.91Å; C560-D562 PolarHBondContact O-N 3.04Å; C560-S563 WeakPolarHBondContact O-CA 3.21Å; C560-S563 VanDerWaalsContact O-CB 3.23Å; C560-S563 WeakPolarHBondContact O-CB 3.2Å; C560-S563 PolarHBondContact O-N 3.11Å; C560-I564 PolarHBondContact O-N 2.85Å
561	E	95.1	Very high	96.7	Very high	132 Å²	132	38.8 Å²	38.8	62%	0.617	21%	0.208	S	C	*	.	H	α-helix	trans	-54.5	-37.1	-179.6	-56.4	-52.7	138.8	0	0	113.5	S563 I564 S565	E561-S563 VanDerWaalsContact C-N 3.27Å; E561-S563 PolarHBondContact O-N 2.95Å; E561-I564 PolarHBondContact O-N 3.05Å; E561-S565 VanDerWaalsContact O-CB 3.27Å; E561-S565 WeakPolarHBondContact O-CB 3.27Å; E561-S565 PolarHBondContact O-N 3.27Å; E561-S565 PolarHBondContact O-OG 3.2Å
562	D	95.8	Very high	96.6	Very high	51 Å²	51	44 Å²	44	27%	0.273	23%	0.23	S	C	.	.	H	α-helix	trans	-53.4	-42	170.6	-77.8	-5.7	0	0	0	111.9	C560 V566 M780 R787 L788	C560-D562 PolarHBondContact O-N 3.04Å; D562-V566 WeakPolarHBondContact O-CG2 3.49Å; D562-M780 HydrophobicContact CB-SD 3.74Å; D562-R787 IonicContact OD2-NH2 2.7Å; D562-L788 HydrophobicContact CB-CD1 4.18Å; D562-L788 HydrophobicContact CB-CD2 3.95Å; D562-L788 HydrophobicContact CB-CG 4.4Å
563	S	96.4	Very high	96.3	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.014	23%	0.226	C	C	.	.	H	α-helix	trans	-73.1	-49.3	179.1	-67.3	0	0	0	0	111.7	G536 C560 E561 S565 V566 G567 L788	G536-S563 WeakPolarHBondContact O-CB 3.34Å; C560-S563 WeakPolarHBondContact O-CA 3.21Å; C560-S563 VanDerWaalsContact O-CB 3.23Å; C560-S563 WeakPolarHBondContact O-CB 3.2Å; C560-S563 PolarHBondContact O-N 3.11Å; E561-S563 VanDerWaalsContact C-N 3.27Å; E561-S563 PolarHBondContact O-N 2.95Å; S563-S565 VanDerWaalsContact C-N 3.28Å; S563-S565 PolarHBondContact O-N 3.08Å; S563-V566 WeakPolarHBondContact O-CB 3.32Å; S563-V566 PolarHBondContact O-N 2.89Å; S563-G567 PolarHBondContact O-N 3.27Å; S563-G567 VanDerWaalsContact O-N 3.09Å; S563-L788 WeakPolarHBondContact OG-CD2 3.36Å
564	I	96.9	Very high	96.2	Very high	31 Å²	31	44.9 Å²	44.9	16%	0.159	24%	0.242	C	C	.	.	H	α-helix	trans	-59.3	-42.9	-178.9	-62.4	167.4	0	0	0	109.6	E558 C560 E561 V566 G567 V568 Y577	E558-I564 HydrophobicContact CB-CG1 4.15Å; E558-I564 HydrophobicContact CG-CG1 3.91Å; C560-I564 PolarHBondContact O-N 2.85Å; E561-I564 PolarHBondContact O-N 3.05Å; I564-V566 VanDerWaalsContact C-N 3.31Å; I564-V566 PolarHBondContact O-N 2.84Å; I564-G567 PolarHBondContact O-N 3.24Å; I564-G567 VanDerWaalsContact O-N 3.14Å; I564-V568 HydrophobicContact CG2-CG2 4.07Å; I564-V568 WeakPolarHBondContact O-CG2 3.33Å; I564-V568 PolarHBondContact O-N 3.12Å; I564-Y577 HydrophobicContact CG1-CD1 4.21Å; I564-Y577 HydrophobicContact CG1-CE1 4.35Å; I564-Y577 HydrophobicContact CG2-CD1 4.46Å; I564-Y577 HydrophobicContact CG2-CD2 3.92Å; I564-Y577 HydrophobicContact CG2-CE2 4.24Å; I564-Y577 HydrophobicContact CG2-CG 4.07Å
565	S	96.5	Very high	96.2	Very high	33 Å²	33	45.2 Å²	45.2	23%	0.231	24%	0.243	C	C	.	.	H	α-helix	trans	-54.7	-42.8	174.2	-67.2	0	0	0	0	112.9	E561 S563 V569 S778	E561-S565 VanDerWaalsContact O-CB 3.27Å; E561-S565 WeakPolarHBondContact O-CB 3.27Å; E561-S565 PolarHBondContact O-N 3.27Å; E561-S565 PolarHBondContact O-OG 3.2Å; S563-S565 VanDerWaalsContact C-N 3.28Å; S563-S565 PolarHBondContact O-N 3.08Å; S565-V569 WeakPolarHBondContact O-CB 3.44Å; S565-V569 VanDerWaalsContact O-CG2 3.26Å; S565-V569 WeakPolarHBondContact O-CG2 3.33Å; S565-V569 PolarHBondContact O-N 3.08Å; S565-V569 VanDerWaalsContact O-N 3.14Å; S565-S778 WeakPolarHBondContact CB-OG 3.45Å; S565-S778 PolarHBondContact OG-OG 3.16Å
566	V	97	Very high	96.1	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-66.2	-45.9	176.7	175.9	0	0	0	0	110.5	I537 D562 S563 I564 R570 Y774 V777 M780 L788	I537-V566 HydrophobicContact CB-CB 4.22Å; I537-V566 HydrophobicContact CB-CG1 3.85Å; I537-V566 HydrophobicContact CG2-CB 3.95Å; I537-V566 HydrophobicContact CG2-CG1 4.03Å; I537-V566 HydrophobicContact CG2-CG2 4.07Å; D562-V566 WeakPolarHBondContact O-CG2 3.49Å; S563-V566 WeakPolarHBondContact O-CB 3.32Å; S563-V566 PolarHBondContact O-N 2.89Å; I564-V566 VanDerWaalsContact C-N 3.31Å; I564-V566 PolarHBondContact O-N 2.84Å; V566-R570 HydrophobicContact CG1-CG 3.99Å; V566-R570 WeakPolarHBondContact O-CB 3.32Å; V566-R570 VanDerWaalsContact O-CG 3.26Å; V566-R570 WeakPolarHBondContact O-CG 3.48Å; V566-R570 PolarHBondContact O-N 2.74Å; V566-Y774 HydrophobicContact CG1-CD1 4.02Å; V566-Y774 HydrophobicContact CG1-CE1 3.65Å; V566-V777 HydrophobicContact CB-CG2 4.38Å; V566-V777 HydrophobicContact CG2-CG2 3.58Å; V566-M780 HydrophobicContact CG2-CE 3.61Å; V566-L788 HydrophobicContact CG2-CD1 3.93Å
567	G	96.4	Very high	96.1	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-60.8	-51	179.6	0	0	0	0	0	113	S563 I564 V569 H571	S563-G567 PolarHBondContact O-N 3.27Å; S563-G567 VanDerWaalsContact O-N 3.09Å; I564-G567 PolarHBondContact O-N 3.24Å; I564-G567 VanDerWaalsContact O-N 3.14Å; G567-V569 PolarHBondContact O-N 2.98Å; G567-H571 WeakPolarHBondContact O-CB 3.43Å; G567-H571 PolarHBondContact O-CD2 2.98Å; G567-H571 PolarHBondContact O-N 2.82Å
568	V	96.4	Very high	95.9	Very high	64 Å²	64	52.2 Å²	52.2	39%	0.388	28%	0.275	S	S	.	.	H	α-helix	trans	-60.3	-46	179.9	172.7	0	0	0	0	111.7	I564 E572 G573 Y577	I564-V568 HydrophobicContact CG2-CG2 4.07Å; I564-V568 WeakPolarHBondContact O-CG2 3.33Å; I564-V568 PolarHBondContact O-N 3.12Å; V568-E572 PolarHBondContact O-N 3.1Å; V568-G573 PolarHBondContact O-N 3.14Å; V568-Y577 HydrophobicContact CG2-CD2 3.86Å; V568-Y577 HydrophobicContact CG2-CE2 3.94Å
569	V	96	Very high	95.3	Very high	81 Å²	81	57.1 Å²	57.1	49%	0.491	30%	0.298	S	S	.	.	H	α-helix	trans	-75	-37.5	-177.7	173.8	0	0	0	0	112.5	S565 G567 V777	S565-V569 WeakPolarHBondContact O-CB 3.44Å; S565-V569 VanDerWaalsContact O-CG2 3.26Å; S565-V569 WeakPolarHBondContact O-CG2 3.33Å; S565-V569 PolarHBondContact O-N 3.08Å; S565-V569 VanDerWaalsContact O-N 3.14Å; G567-V569 PolarHBondContact O-N 2.98Å; V569-V777 HydrophobicContact CB-CG1 3.98Å; V569-V777 HydrophobicContact CG1-CB 4.42Å; V569-V777 HydrophobicContact CG1-CG1 3.69Å
570	R	95.2	Very high	95.2	Very high	82 Å²	82	54.4 Å²	54.4	31%	0.309	28%	0.281	S	S	.	.	H	α-helix	trans	-82.5	-20	-176.7	-66.2	-70.5	163.3	-142.9	-6.9	114.2	V566 H773 Y774 D776	V566-R570 HydrophobicContact CG1-CG 3.99Å; V566-R570 WeakPolarHBondContact O-CB 3.32Å; V566-R570 VanDerWaalsContact O-CG 3.26Å; V566-R570 WeakPolarHBondContact O-CG 3.48Å; V566-R570 PolarHBondContact O-N 2.74Å; R570-H773 PolarHBondContact NH2-O 3.49Å; R570-Y774 HydrophobicContact CB-CD2 4.26Å; R570-Y774 HydrophobicContact CB-CE2 3.74Å; R570-Y774 WeakPolarHBondContact CD-O 3.33Å; R570-Y774 HydrophobicContact CG-CD2 3.91Å; R570-Y774 HydrophobicContact CG-CE2 3.85Å; R570-Y774 HydrophobicContact CG-CG 4.41Å; R570-Y774 WeakPolarHBondContact CG-O 3.46Å; R570-Y774 PolarHBondContact NE-O 2.71Å; R570-D776 PolarHBondContact NH2-O 3.46Å
571	H	96.3	Very high	95.3	Very high	4 Å²	4	53.2 Å²	53.2	2%	0.019	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.4	24.4	-179	-52.9	-59.5	0	0	0	112.9	A538 Y541 G567 G573 K574 I575 Y774	A538-H571 VanDerWaalsContact CB-CD2 3.44Å; A538-H571 WeakPolarHBondContact CB-CD2 3.28Å; Y541-H571 HydrophobicContact CD1-CB 3.85Å; Y541-H571 AromaticContact CD1-CD2 3.98Å; Y541-H571 AromaticContact CD1-CE1 3.81Å; Y541-H571 AromaticContact CD1-CG 3.42Å; Y541-H571 VanDerWaalsContact CD1-CG 3.42Å; Y541-H571 AromaticContact CD1-ND1 3.34Å; Y541-H571 VanDerWaalsContact CD1-ND1 3.34Å; Y541-H571 WeakPolarHBondContact CD1-ND1 3.27Å; Y541-H571 HydrophobicContact CE1-CB 3.79Å; Y541-H571 AromaticContact CE1-CG 3.82Å; Y541-H571 AromaticContact CE1-ND1 3.71Å; G567-H571 WeakPolarHBondContact O-CB 3.43Å; G567-H571 PolarHBondContact O-CD2 2.98Å; G567-H571 PolarHBondContact O-N 2.82Å; H571-G573 PolarHBondContact O-N 2.98Å; H571-G573 VanDerWaalsContact O-N 3.11Å; H571-K574 VanDerWaalsContact O-CB 3.23Å; H571-K574 WeakPolarHBondContact O-CB 2.91Å; H571-K574 VanDerWaalsContact O-CG 3.28Å; H571-K574 WeakPolarHBondContact O-CG 3.38Å; H571-K574 PolarHBondContact O-N 3.04Å; H571-I575 HydrophobicContact CB-CD1 4.09Å; H571-I575 HydrophobicContact CB-CG1 4.39Å; H571-Y774 AromaticContact NE2-CZ 3.94Å; H571-Y774 PolarHBondContact NE2-OH 3.37Å
572	E	94.5	Very high	95.3	Very high	147 Å²	147	54 Å²	54	69%	0.687	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	34	165.7	-60.4	161.5	-168.9	0	0	113.9	V568 K574	V568-E572 PolarHBondContact O-N 3.1Å; E572-K574 PolarHBondContact O-N 2.84Å; E572-K574 WeakPolarHBondContact OE2-CE 3.47Å; E572-K574 IonicContact OE2-NZ 2.91Å; E572-K574 PolarHBondContact OE2-NZ 3.05Å
573	G	90.3	Very high	95.3	Very high	47 Å²	47	56.8 Å²	56.8	49%	0.485	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.3	6.8	-176.4	0	0	0	0	0	115.8	V568 H571 I575	V568-G573 PolarHBondContact O-N 3.14Å; H571-G573 PolarHBondContact O-N 2.98Å; H571-G573 VanDerWaalsContact O-N 3.11Å; G573-I575 PolarHBondContact O-N 2.79Å; G573-I575 VanDerWaalsContact O-N 3.1Å
574	K	95.7	Very high	95.2	Very high	117 Å²	117	56.9 Å²	56.9	51%	0.509	29%	0.285	S	S	.	.			trans	-71.9	1.9	-178.9	-60.8	169.7	-173.5	165.9	0	114.5	Y541 H571 E572	Y541-K574 HydrophobicContact CE2-CB 4.43Å; Y541-K574 WeakPolarHBondContact OH-CB 3.45Å; Y541-K574 WeakPolarHBondContact OH-CD 3.25Å; H571-K574 VanDerWaalsContact O-CB 3.23Å; H571-K574 WeakPolarHBondContact O-CB 2.91Å; H571-K574 VanDerWaalsContact O-CG 3.28Å; H571-K574 WeakPolarHBondContact O-CG 3.38Å; H571-K574 PolarHBondContact O-N 3.04Å; E572-K574 PolarHBondContact O-N 2.84Å; E572-K574 WeakPolarHBondContact OE2-CE 3.47Å; E572-K574 IonicContact OE2-NZ 2.91Å; E572-K574 PolarHBondContact OE2-NZ 3.05Å
575	I	97.6	Very high	95.1	Very high	9 Å²	9	57.7 Å²	57.7	5%	0.046	29%	0.293	C	S	.	.	S	Bend	trans	-105.8	120.5	177	-66.7	173.7	0	0	0	108.7	A538 Y541 Y554 A556 H571 G573 Y577	A538-I575 HydrophobicContact CB-CD1 3.45Å; A538-I575 VanDerWaalsContact CB-CD1 3.45Å; Y541-I575 HydrophobicContact CD2-CD1 4.33Å; Y541-I575 HydrophobicContact CD2-CG1 3.9Å; Y541-I575 HydrophobicContact CE2-CG1 4.37Å; Y541-I575 HydrophobicContact CG-CD1 4.01Å; Y541-I575 HydrophobicContact CG-CG1 4.08Å; Y554-I575 HydrophobicContact CD1-CB 4.39Å; Y554-I575 HydrophobicContact CD1-CD1 4.31Å; Y554-I575 HydrophobicContact CD1-CG1 3.89Å; Y554-I575 HydrophobicContact CD1-CG2 3.9Å; Y554-I575 HydrophobicContact CE1-CD1 4.26Å; Y554-I575 HydrophobicContact CE1-CG1 4.34Å; Y554-I575 HydrophobicContact CE1-CG2 4.3Å; A556-I575 HydrophobicContact CB-CG2 3.42Å; A556-I575 VanDerWaalsContact CB-CG2 3.42Å; H571-I575 HydrophobicContact CB-CD1 4.09Å; H571-I575 HydrophobicContact CB-CG1 4.39Å; G573-I575 PolarHBondContact O-N 2.79Å; G573-I575 VanDerWaalsContact O-N 3.1Å; I575-Y577 HydrophobicContact CB-CD2 4.27Å; I575-Y577 HydrophobicContact CB-CE2 3.87Å; I575-Y577 HydrophobicContact CG2-CD1 4.29Å; I575-Y577 HydrophobicContact CG2-CD2 3.71Å; I575-Y577 HydrophobicContact CG2-CE1 4.01Å; I575-Y577 HydrophobicContact CG2-CE2 3.4Å; I575-Y577 VanDerWaalsContact CG2-CE2 3.4Å; I575-Y577 HydrophobicContact CG2-CG 4.13Å; I575-Y577 PolarHBondContact O-N 2.84Å
576	Q	97.4	Very high	95	Very high	81 Å²	81	63 Å²	63	38%	0.379	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	88.2	174	-175.5	-178.7	-3.1	0	0	109	Y554 V555 A556 V578	Y554-Q576 PolarHBondContact O-N 2.77Å; V555-Q576 WeakPolarHBondContact CA-O 3.44Å; V555-Q576 HydrophobicContact CG2-CB 4.33Å; A556-Q576 PolarHBondContact N-O 3.42Å; Q576-V578 HydrophobicContact CG-CG1 4.34Å
577	Y	97.3	Very high	94.8	Very high	48 Å²	48	70.7 Å²	70.7	19%	0.188	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	132	172.4	-78.9	-71.3	0	0	0	110.9	D535 A556 E558 I564 V568 I575	D535-Y577 PolarHBondContact OD2-OH 2.9Å; A556-Y577 HydrophobicContact CB-CD1 3.63Å; A556-Y577 HydrophobicContact CB-CE1 3.45Å; A556-Y577 VanDerWaalsContact CB-CE1 3.45Å; A556-Y577 HydrophobicContact CB-CG 4.43Å; A556-Y577 CarbonylContact O-C 3.47Å; A556-Y577 WeakPolarHBondContact O-CA 3.39Å; E558-Y577 HydrophobicContact CB-CD1 4.47Å; E558-Y577 HydrophobicContact CB-CE1 4.23Å; I564-Y577 HydrophobicContact CG1-CD1 4.21Å; I564-Y577 HydrophobicContact CG1-CE1 4.35Å; I564-Y577 HydrophobicContact CG2-CD1 4.46Å; I564-Y577 HydrophobicContact CG2-CD2 3.92Å; I564-Y577 HydrophobicContact CG2-CE2 4.24Å; I564-Y577 HydrophobicContact CG2-CG 4.07Å; V568-Y577 HydrophobicContact CG2-CD2 3.86Å; V568-Y577 HydrophobicContact CG2-CE2 3.94Å; I575-Y577 HydrophobicContact CB-CD2 4.27Å; I575-Y577 HydrophobicContact CB-CE2 3.87Å; I575-Y577 HydrophobicContact CG2-CD1 4.29Å; I575-Y577 HydrophobicContact CG2-CD2 3.71Å; I575-Y577 HydrophobicContact CG2-CE1 4.01Å; I575-Y577 HydrophobicContact CG2-CE2 3.4Å; I575-Y577 VanDerWaalsContact CG2-CE2 3.4Å; I575-Y577 HydrophobicContact CG2-CG 4.13Å; I575-Y577 PolarHBondContact O-N 2.84Å
578	V	95	Very high	94.8	Very high	19 Å²	19	72.6 Å²	72.6	12%	0.115	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	171.9	180	-63.7	0	0	0	0	110.6	V555 A556 Q576 I584 W592	V555-V578 HydrophobicContact CG1-CB 4.42Å; V555-V578 HydrophobicContact CG1-CG1 3.68Å; V555-V578 HydrophobicContact CG1-CG2 3.82Å; A556-V578 WeakPolarHBondContact O-CG2 3.45Å; A556-V578 PolarHBondContact O-N 3.23Å; Q576-V578 HydrophobicContact CG-CG1 4.34Å; V578-I584 HydrophobicContact CG2-CD1 3.9Å; V578-W592 HydrophobicContact CB-CH2 3.68Å; V578-W592 HydrophobicContact CB-CZ2 4.24Å; V578-W592 HydrophobicContact CB-CZ3 4.18Å; V578-W592 HydrophobicContact CG1-CH2 3.58Å; V578-W592 HydrophobicContact CG1-CZ2 3.73Å; V578-W592 HydrophobicContact CG1-CZ3 4.01Å; V578-W592 HydrophobicContact CG2-CH2 3.91Å; V578-W592 HydrophobicContact CG2-CZ3 3.92Å
579	H	83.8	Confident	94.7	Very high	136 Å²	136	69.9 Å²	69.9	63%	0.63	34%	0.335	S	S	*	.	S	Bend	trans	-57.1	169.2	-176.5	-48.5	-49.6	0	0	0	114.2	S557 V581 N583	S557-H579 PolarHBondContact OG-O 2.6Å; H579-V581 PolarHBondContact O-N 2.87Å; H579-N583 HydrophobicContact CB-CB 4.22Å
580	D	95.2	Very high	94.6	Very high	30 Å²	30	72.2 Å²	72.2	16%	0.16	34%	0.341	C	S	.	.			trans	-42.1	132.2	166.3	-174.4	-60	0	0	0	111.3	V559 R582 N583	V559-D580 HydrophobicContact CG1-CB 3.7Å; D580-R582 PolarHBondContact O-N 3.49Å; D580-R582 VanDerWaalsContact OD1-CB 3.29Å; D580-R582 WeakPolarHBondContact OD1-CB 3.42Å; D580-R582 VanDerWaalsContact OD1-CG 3.29Å; D580-R582 WeakPolarHBondContact OD1-CG 3.44Å; D580-R582 IonicContact OD1-CZ 3.58Å; D580-R582 PolarHBondContact OD1-N 3.47Å; D580-R582 IonicContact OD1-NE 3.6Å; D580-R582 PolarHBondContact OD1-NE 3.43Å; D580-R582 IonicContact OD1-NH2 3.42Å; D580-R582 IonicContact OD2-CZ 2.69Å; D580-R582 IonicContact OD2-NE 2.72Å; D580-R582 PolarHBondContact OD2-NE 3.02Å; D580-R582 IonicContact OD2-NH2 3.6Å; D580-R582 PolarHBondContact OD2-NH2 3.19Å; D580-N583 WeakPolarHBondContact O-CB 3.43Å; D580-N583 PolarHBondContact O-N 3.34Å
581	V	95.9	Very high	94.5	Very high	3 Å²	3	75 Å²	75	2%	0.018	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-48.4	-33	-175.1	74	0	0	0	0	113.8	L533 F534 S557 H579 N583 I584 L624 E627 R630 L631	L533-V581 HydrophobicContact CD2-CG2 4.21Å; F534-V581 HydrophobicContact CE1-CB 4.27Å; F534-V581 HydrophobicContact CE1-CG1 3.67Å; F534-V581 HydrophobicContact CZ-CB 4.33Å; F534-V581 HydrophobicContact CZ-CG1 3.79Å; F534-V581 HydrophobicContact CZ-CG2 4.25Å; S557-V581 WeakPolarHBondContact OG-CA 3.46Å; S557-V581 PolarHBondContact OG-N 2.83Å; H579-V581 PolarHBondContact O-N 2.87Å; V581-N583 PolarHBondContact O-N 2.91Å; V581-I584 PolarHBondContact O-N 3.27Å; V581-L624 HydrophobicContact CG1-CD2 4.13Å; V581-E627 HydrophobicContact CB-CB 4.43Å; V581-E627 HydrophobicContact CG1-CB 3.76Å; V581-E627 HydrophobicContact CG1-CG 4.01Å; V581-E627 HydrophobicContact CG2-CB 3.85Å; V581-R630 PolarHBondContact O-NH2 3.2Å; V581-L631 HydrophobicContact CG2-CD1 3.43Å; V581-L631 VanDerWaalsContact CG2-CD1 3.43Å
582	R	95.2	Very high	94.5	Very high	148 Å²	148	76.1 Å²	76.1	56%	0.558	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-66.6	-24.8	179.8	-63.1	172.9	-72.3	160.7	-5	112.8	D580 L624 E627	D580-R582 PolarHBondContact O-N 3.49Å; D580-R582 VanDerWaalsContact OD1-CB 3.29Å; D580-R582 WeakPolarHBondContact OD1-CB 3.42Å; D580-R582 VanDerWaalsContact OD1-CG 3.29Å; D580-R582 WeakPolarHBondContact OD1-CG 3.44Å; D580-R582 IonicContact OD1-CZ 3.58Å; D580-R582 PolarHBondContact OD1-N 3.47Å; D580-R582 IonicContact OD1-NE 3.6Å; D580-R582 PolarHBondContact OD1-NE 3.43Å; D580-R582 IonicContact OD1-NH2 3.42Å; D580-R582 IonicContact OD2-CZ 2.69Å; D580-R582 IonicContact OD2-NE 2.72Å; D580-R582 PolarHBondContact OD2-NE 3.02Å; D580-R582 IonicContact OD2-NH2 3.6Å; D580-R582 PolarHBondContact OD2-NH2 3.19Å; R582-L624 HydrophobicContact CG-CD2 4.24Å; R582-E627 HydrophobicContact CG-CG 4Å
583	N	95.6	Very high	94.1	Very high	110 Å²	110	69.6 Å²	69.6	59%	0.588	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-91.5	-10.2	-178.4	-60.3	-9.6	0	0	0	112.5	H579 D580 V581 S585	H579-N583 HydrophobicContact CB-CB 4.22Å; D580-N583 WeakPolarHBondContact O-CB 3.43Å; D580-N583 PolarHBondContact O-N 3.34Å; V581-N583 PolarHBondContact O-N 2.91Å; N583-S585 PolarHBondContact O-N 3.03Å
584	I	96.1	Very high	94.3	Very high	4 Å²	4	70.8 Å²	70.8	2%	0.021	33%	0.333	C	S	.	.			trans	-75.5	116.4	-178.6	-57.5	177.6	0	0	0	109.7	L533 V578 V581 N588 I589 W592 R630 L631	L533-I584 HydrophobicContact CD2-CD1 4.47Å; V578-I584 HydrophobicContact CG2-CD1 3.9Å; V581-I584 PolarHBondContact O-N 3.27Å; I584-N588 HydrophobicContact CG2-CB 4.24Å; I584-I589 HydrophobicContact CG2-CD1 3.73Å; I584-I589 HydrophobicContact CG2-CG1 4.09Å; I584-W592 HydrophobicContact CD1-CZ3 4.27Å; I584-W592 HydrophobicContact CG1-CH2 4.32Å; I584-W592 HydrophobicContact CG1-CZ3 4.34Å; I584-W592 HydrophobicContact CG2-CH2 4.13Å; I584-W592 HydrophobicContact CG2-CZ3 3.68Å; I584-R630 PolarHBondContact O-NH1 3.01Å; I584-R630 PolarHBondContact O-NH2 3.05Å; I584-R630 VanDerWaalsContact O-NH2 3.13Å; I584-L631 HydrophobicContact CB-CD1 4Å; I584-L631 HydrophobicContact CB-CD2 4.08Å; I584-L631 HydrophobicContact CD1-CD1 4.04Å; I584-L631 HydrophobicContact CG2-CD1 4.13Å; I584-L631 HydrophobicContact CG2-CD2 3.76Å
585	S	94.5	Very high	94.3	Very high	48 Å²	48	65.2 Å²	65.2	34%	0.336	31%	0.309	S	S	.	.			trans	-93.1	164	-178.3	79.7	0	0	0	0	113.2	N583 K587 N588 I589	N583-S585 PolarHBondContact O-N 3.03Å; S585-K587 PolarHBondContact O-N 3.08Å; S585-K587 PolarHBondContact OG-N 3.33Å; S585-N588 WeakPolarHBondContact CB-OD1 3.39Å; S585-N588 PolarHBondContact N-OD1 2.96Å; S585-N588 VanDerWaalsContact N-OD1 3.09Å; S585-N588 WeakPolarHBondContact O-CB 3.36Å; S585-N588 PolarHBondContact O-N 3.13Å; S585-N588 PolarHBondContact OG-N 3.35Å; S585-N588 PolarHBondContact OG-OD1 2.7Å; S585-I589 PolarHBondContact O-N 3.35Å
586	R	93	Very high	94.4	Very high	144 Å²	144	65.7 Å²	65.7	54%	0.543	31%	0.311	S	S	.	.	H	α-helix	trans	-50	-39.7	169.2	171.2	175.9	-66.6	-173.8	-1.6	112.4	N588 I589 Q590 E634	R586-N588 VanDerWaalsContact C-N 3.32Å; R586-N588 PolarHBondContact O-N 3.27Å; R586-I589 PolarHBondContact O-N 2.96Å; R586-Q590 WeakPolarHBondContact O-CG 3.47Å; R586-Q590 PolarHBondContact O-N 3.33Å; R586-Q590 VanDerWaalsContact O-N 3.11Å; R586-E634 WeakPolarHBondContact CD-OE2 3.41Å; R586-E634 VanDerWaalsContact CG-OE2 3.27Å; R586-E634 WeakPolarHBondContact CG-OE2 3.45Å; R586-E634 IonicContact CZ-OE1 2.74Å; R586-E634 VanDerWaalsContact CZ-OE1 3.31Å; R586-E634 IonicContact CZ-OE2 2.71Å; R586-E634 VanDerWaalsContact NE-CD 3.25Å; R586-E634 IonicContact NE-OE1 3.3Å; R586-E634 PolarHBondContact NE-OE1 3.35Å; R586-E634 IonicContact NE-OE2 2.69Å; R586-E634 PolarHBondContact NE-OE2 3.47Å; R586-E634 IonicContact NH2-OE1 3.96Å; R586-E634 PolarHBondContact NH2-OE1 3.09Å; R586-E634 IonicContact NH2-OE2 3.41Å; R586-E634 PolarHBondContact NH2-OE2 2.9Å
587	K	94.6	Very high	94.4	Very high	162 Å²	162	61.9 Å²	61.9	70%	0.704	29%	0.293	S	S	*	.	H	α-helix	trans	-62.4	-41.3	179.6	-67.3	-171.8	176.9	-175	0	111.4	S585 Q590 E591	S585-K587 PolarHBondContact O-N 3.08Å; S585-K587 PolarHBondContact OG-N 3.33Å; K587-Q590 PolarHBondContact O-N 3.32Å; K587-E591 VanDerWaalsContact O-CB 3.25Å; K587-E591 WeakPolarHBondContact O-CB 3.47Å; K587-E591 PolarHBondContact O-N 3.48Å
588	N	95.4	Very high	94.5	Very high	41 Å²	41	59.6 Å²	59.6	22%	0.219	28%	0.284	C	S	.	.	H	α-helix	trans	-66.9	-39.8	179.4	-57.8	115.6	0	0	0	111.9	I584 S585 R586 Q590 E591 W592	I584-N588 HydrophobicContact CG2-CB 4.24Å; S585-N588 WeakPolarHBondContact CB-OD1 3.39Å; S585-N588 PolarHBondContact N-OD1 2.96Å; S585-N588 VanDerWaalsContact N-OD1 3.09Å; S585-N588 WeakPolarHBondContact O-CB 3.36Å; S585-N588 PolarHBondContact O-N 3.13Å; S585-N588 PolarHBondContact OG-N 3.35Å; S585-N588 PolarHBondContact OG-OD1 2.7Å; R586-N588 VanDerWaalsContact C-N 3.32Å; R586-N588 PolarHBondContact O-N 3.27Å; N588-Q590 VanDerWaalsContact C-N 3.27Å; N588-Q590 PolarHBondContact O-N 3.1Å; N588-E591 PolarHBondContact ND2-OE2 3.12Å; N588-E591 PolarHBondContact O-N 2.83Å; N588-W592 HydrophobicContact CB-CD2 4.05Å; N588-W592 HydrophobicContact CB-CE3 4.06Å; N588-W592 HydrophobicContact CB-CH2 3.67Å; N588-W592 HydrophobicContact CB-CZ2 3.62Å; N588-W592 HydrophobicContact CB-CZ3 3.88Å; N588-W592 VanDerWaalsContact O-CB 3.31Å; N588-W592 WeakPolarHBondContact O-CB 3.33Å; N588-W592 VanDerWaalsContact O-CD2 3.24Å; N588-W592 PolarHBondContact O-N 2.98Å
589	I	95.3	Very high	94.6	Very high	7 Å²	7	58.7 Å²	58.7	4%	0.036	28%	0.279	C	S	.	.	H	α-helix	trans	-64.6	-32.7	174.9	-60.1	-56.3	0	0	0	112	L531 I584 S585 R586 W592 G593 F595 L631 E634 A635	L531-I589 HydrophobicContact CD2-CD1 3.73Å; I584-I589 HydrophobicContact CG2-CD1 3.73Å; I584-I589 HydrophobicContact CG2-CG1 4.09Å; S585-I589 PolarHBondContact O-N 3.35Å; R586-I589 PolarHBondContact O-N 2.96Å; I589-W592 HydrophobicContact CD1-CE3 4.45Å; I589-G593 WeakPolarHBondContact O-CA 3.44Å; I589-G593 PolarHBondContact O-N 3.43Å; I589-G593 VanDerWaalsContact O-N 3.09Å; I589-F595 HydrophobicContact CD1-CE2 4.21Å; I589-F595 HydrophobicContact CG2-CD2 4.41Å; I589-F595 HydrophobicContact CG2-CE2 4.38Å; I589-L631 HydrophobicContact CD1-CD2 4.12Å; I589-L631 HydrophobicContact CG1-CD2 3.9Å; I589-E634 HydrophobicContact CB-CB 4.41Å; I589-E634 HydrophobicContact CG1-CB 4.37Å; I589-E634 HydrophobicContact CG2-CB 4.19Å; I589-A635 HydrophobicContact CG2-CB 3.93Å
590	Q	92.3	Very high	95.3	Very high	129 Å²	129	52.2 Å²	52.2	60%	0.603	25%	0.249	S	C	*	.	H	α-helix	trans	-76.2	-35.6	175.3	-69.2	172.9	-5.4	0	0	113	R586 K587 N588	R586-Q590 WeakPolarHBondContact O-CG 3.47Å; R586-Q590 PolarHBondContact O-N 3.33Å; R586-Q590 VanDerWaalsContact O-N 3.11Å; K587-Q590 PolarHBondContact O-N 3.32Å; N588-Q590 VanDerWaalsContact C-N 3.27Å; N588-Q590 PolarHBondContact O-N 3.1Å
591	E	94.6	Very high	95.3	Very high	140 Å²	140	51.5 Å²	51.5	65%	0.654	25%	0.249	S	C	*	.	H	α-helix	trans	-72.4	-43.6	177.6	176.5	-177.6	-146	0	0	112.4	K587 N588	K587-E591 VanDerWaalsContact O-CB 3.25Å; K587-E591 WeakPolarHBondContact O-CB 3.47Å; K587-E591 PolarHBondContact O-N 3.48Å; N588-E591 PolarHBondContact ND2-OE2 3.12Å; N588-E591 PolarHBondContact O-N 2.83Å
592	W	94.6	Very high	95.2	Very high	28 Å²	28	51.5 Å²	51.5	11%	0.106	25%	0.249	C	C	.	.	H	α-helix	trans	-86.2	-14.3	-179.6	-51.5	-23.7	0	0	0	113.3	R529 Q553 V555 V578 I584 N588 I589 F595	R529-W592 PolarHBondContact NH2-O 3.22Å; Q553-W592 PolarHBondContact OE1-O 2.82Å; V555-W592 HydrophobicContact CG1-CD2 4.32Å; V555-W592 HydrophobicContact CG1-CE3 3.77Å; V555-W592 HydrophobicContact CG1-CZ3 4.08Å; V555-W592 HydrophobicContact CG2-CB 4.36Å; V578-W592 HydrophobicContact CB-CH2 3.68Å; V578-W592 HydrophobicContact CB-CZ2 4.24Å; V578-W592 HydrophobicContact CB-CZ3 4.18Å; V578-W592 HydrophobicContact CG1-CH2 3.58Å; V578-W592 HydrophobicContact CG1-CZ2 3.73Å; V578-W592 HydrophobicContact CG1-CZ3 4.01Å; V578-W592 HydrophobicContact CG2-CH2 3.91Å; V578-W592 HydrophobicContact CG2-CZ3 3.92Å; I584-W592 HydrophobicContact CD1-CZ3 4.27Å; I584-W592 HydrophobicContact CG1-CH2 4.32Å; I584-W592 HydrophobicContact CG1-CZ3 4.34Å; I584-W592 HydrophobicContact CG2-CH2 4.13Å; I584-W592 HydrophobicContact CG2-CZ3 3.68Å; N588-W592 HydrophobicContact CB-CD2 4.05Å; N588-W592 HydrophobicContact CB-CE3 4.06Å; N588-W592 HydrophobicContact CB-CH2 3.67Å; N588-W592 HydrophobicContact CB-CZ2 3.62Å; N588-W592 HydrophobicContact CB-CZ3 3.88Å; N588-W592 VanDerWaalsContact O-CB 3.31Å; N588-W592 WeakPolarHBondContact O-CB 3.33Å; N588-W592 VanDerWaalsContact O-CD2 3.24Å; N588-W592 PolarHBondContact O-N 2.98Å; I589-W592 HydrophobicContact CD1-CE3 4.45Å; W592-F595 HydrophobicContact CB-CE2 4.12Å; W592-F595 HydrophobicContact CB-CZ 3.58Å
593	G	86.2	Confident	95.1	Very high	11 Å²	11	46.8 Å²	46.8	11%	0.113	24%	0.238	C	C	.	.			trans	-91.4	-164.3	-175.5	0	0	0	0	0	114.5	R529 I589	R529-G593 PolarHBondContact NH1-O 3.45Å; R529-G593 PolarHBondContact NH2-O 3.04Å; I589-G593 WeakPolarHBondContact O-CA 3.44Å; I589-G593 PolarHBondContact O-N 3.43Å; I589-G593 VanDerWaalsContact O-N 3.09Å
594	P	94.5	Very high	94.7	Very high	71 Å²	71	43.4 Å²	43.4	46%	0.461	22%	0.222	S	C	.	.			cis	-60.1	146	-13.7	25.3	-36.1	0	0	0	113.2	R529	R529-P594 VanDerWaalsContact NH1-CD 3.3Å; R529-P594 PolarHBondContact NH1-O 3.22Å; R529-P594 VanDerWaalsContact NH1-O 3.13Å
595	F	97.4	Very high	94.3	Very high	1 Å²	1	47.2 Å²	47.2	0%	0.004	24%	0.243	C	C	.	.			trans	-102.9	134.7	172.7	-63.6	-73.3	0	0	0	110.5	L531 V555 I589 W592 R643 F645	L531-F595 HydrophobicContact CB-CB 4.33Å; L531-F595 HydrophobicContact CB-CD1 3.82Å; L531-F595 HydrophobicContact CB-CD2 4.04Å; L531-F595 HydrophobicContact CB-CE1 4.02Å; L531-F595 HydrophobicContact CB-CE2 4.24Å; L531-F595 HydrophobicContact CB-CG 3.81Å; L531-F595 HydrophobicContact CB-CZ 4.21Å; L531-F595 HydrophobicContact CD1-CE1 4.49Å; L531-F595 HydrophobicContact CD1-CE2 4.29Å; L531-F595 HydrophobicContact CD1-CZ 4.07Å; L531-F595 HydrophobicContact CD2-CD2 4.18Å; L531-F595 HydrophobicContact CD2-CE2 4.18Å; L531-F595 HydrophobicContact CG-CE2 4.48Å; V555-F595 HydrophobicContact CB-CE1 3.94Å; V555-F595 HydrophobicContact CB-CZ 4.05Å; V555-F595 HydrophobicContact CG2-CE1 3.66Å; V555-F595 HydrophobicContact CG2-CZ 3.85Å; I589-F595 HydrophobicContact CD1-CE2 4.21Å; I589-F595 HydrophobicContact CG2-CD2 4.41Å; I589-F595 HydrophobicContact CG2-CE2 4.38Å; W592-F595 HydrophobicContact CB-CE2 4.12Å; W592-F595 HydrophobicContact CB-CZ 3.58Å; F595-R643 PolarHBondContact O-NH1 2.87Å; F595-R643 PolarHBondContact O-NH2 2.97Å; F595-F645 VanDerWaalsContact O-CD2 3.22Å; F595-F645 WeakPolarHBondContact O-CD2 3.35Å; F595-F645 WeakPolarHBondContact O-CE2 3.16Å
596	D	97.8	Very high	93.9	Very high	19 Å²	19	45.8 Å²	45.8	10%	0.102	23%	0.231	C	C	.	.	S	Bend	trans	-95.2	-19.2	-179.8	-47.5	-60.1	0	0	0	112.9	I528 R529 R643 F646 F809	I528-D596 HydrophobicContact CG1-CB 4.48Å; R529-D596 PolarHBondContact N-OD2 3.29Å; R529-D596 PolarHBondContact O-N 3.35Å; D596-R643 IonicContact OD1-CZ 2.84Å; D596-R643 IonicContact OD1-NH1 3.57Å; D596-R643 PolarHBondContact OD1-NH1 3.01Å; D596-F646 PolarHBondContact O-N 3.44Å; D596-F809 HydrophobicContact CB-CE1 3.51Å; D596-F809 HydrophobicContact CB-CZ 3.63Å
597	L	98.5	Very high	93.2	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	121.5	178.2	177	61.1	0	0	0	111.3	I528 R529 V530 L531 L544 I599 F646 L692 F802 L805	I528-L597 HydrophobicContact CD1-CB 3.95Å; I528-L597 HydrophobicContact CD1-CD2 3.84Å; I528-L597 HydrophobicContact CG1-CB 4.36Å; R529-L597 PolarHBondContact O-N 2.73Å; R529-L597 VanDerWaalsContact O-N 3.13Å; V530-L597 WeakPolarHBondContact CA-O 3.43Å; V530-L597 HydrophobicContact CG1-CB 4.32Å; V530-L597 HydrophobicContact CG1-CD2 4.17Å; V530-L597 HydrophobicContact CG1-CG 4.18Å; V530-L597 HydrophobicContact CG2-CB 4.3Å; V530-L597 HydrophobicContact CG2-CD2 4.31Å; L531-L597 PolarHBondContact N-O 3.04Å; L544-L597 HydrophobicContact CD2-CD2 4.43Å; L597-I599 HydrophobicContact CD1-CG2 3.62Å; L597-I599 HydrophobicContact CD2-CG2 4.23Å; L597-I599 HydrophobicContact CG-CG2 3.76Å; L597-F646 CarbonylContact C-O 3.51Å; L597-F646 VanDerWaalsContact CA-O 3.28Å; L597-F646 WeakPolarHBondContact CA-O 3.35Å; L597-F646 HydrophobicContact CD1-CB 3.94Å; L597-L692 HydrophobicContact CD1-CD2 4.46Å; L597-F802 HydrophobicContact CD2-CE2 4.5Å; L597-F802 HydrophobicContact CD2-CZ 4.43Å; L597-L805 HydrophobicContact CD1-CD1 4.35Å; L597-L805 HydrophobicContact CD2-CD1 4.03Å
598	V	98.5	Very high	92.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	116.4	175.5	-176.6	0	0	0	0	110.8	L531 F628 L632 A635 F645 F646 W647 M648	L531-V598 HydrophobicContact CB-CG2 4.37Å; L531-V598 HydrophobicContact CD2-CG1 4.34Å; L531-V598 WeakPolarHBondContact O-CA 3.46Å; V598-F628 HydrophobicContact CG1-CE2 4.18Å; V598-L632 HydrophobicContact CB-CD1 4.11Å; V598-L632 HydrophobicContact CG1-CD1 4.24Å; V598-L632 HydrophobicContact CG2-CD1 4.46Å; V598-A635 HydrophobicContact CG2-CB 3.8Å; V598-F645 HydrophobicContact CB-CZ 4.42Å; V598-F645 HydrophobicContact CG2-CE2 3.71Å; V598-F645 HydrophobicContact CG2-CZ 3.63Å; V598-F646 PolarHBondContact N-O 2.72Å; V598-W647 HydrophobicContact CB-CB 4.17Å; V598-W647 CarbonylContact O-C 3.42Å; V598-W647 WeakPolarHBondContact O-CA 3.45Å; V598-W647 WeakPolarHBondContact O-CB 3.27Å; V598-M648 PolarHBondContact O-N 3.45Å
599	I	98.7	Very high	91.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	149.9	-172.7	60.6	178.9	0	0	0	112.2	V530 L531 L533 Y554 L597 M648 W793 F802	V530-I599 HydrophobicContact CG1-CD1 4.11Å; V530-I599 HydrophobicContact CG1-CG1 4.3Å; L531-I599 PolarHBondContact O-N 3.48Å; L533-I599 PolarHBondContact N-O 3.31Å; Y554-I599 HydrophobicContact CE2-CD1 4.49Å; L597-I599 HydrophobicContact CD1-CG2 3.62Å; L597-I599 HydrophobicContact CD2-CG2 4.23Å; L597-I599 HydrophobicContact CG-CG2 3.76Å; I599-M648 WeakPolarHBondContact CA-O 3.46Å; I599-M648 HydrophobicContact CB-CE 4.47Å; I599-M648 HydrophobicContact CG2-CB 4.19Å; I599-M648 HydrophobicContact CG2-CE 4.4Å; I599-W793 HydrophobicContact CB-CH2 4.13Å; I599-W793 HydrophobicContact CD1-CH2 4.38Å; I599-W793 HydrophobicContact CD1-CZ3 4.23Å; I599-W793 HydrophobicContact CG1-CH2 4.41Å; I599-F802 HydrophobicContact CD1-CE2 4.4Å; I599-F802 HydrophobicContact CD1-CZ 3.99Å; I599-F802 HydrophobicContact CG2-CE1 4.29Å; I599-F802 HydrophobicContact CG2-CZ 4Å
600	G	97.1	Very high	90.5	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.3	160.8	171.9	0	0	0	0	0	116.4	L533 M648 F649 E650	L533-G600 WeakPolarHBondContact O-CA 3.49Å; G600-M648 PolarHBondContact N-O 2.94Å; G600-M648 VanDerWaalsContact N-O 3.11Å; G600-F649 WeakPolarHBondContact O-CA 3.27Å; G600-F649 WeakPolarHBondContact O-CD2 3.47Å; G600-E650 PolarHBondContact O-N 2.71Å
601	G	95.1	Very high	90	Very high	15 Å²	15	34.4 Å²	34.4	16%	0.155	20%	0.197	C	C	.	.			trans	-139.3	94.4	179.2	0	0	0	0	0	111.2	L533 F534 E650	L533-G601 PolarHBondContact O-N 2.66Å; F534-G601 WeakPolarHBondContact CB-O 3.45Å; G601-E650 WeakPolarHBondContact CA-O 3.41Å
602	S	94.1	Very high	89.1	Confident	3 Å²	3	33.3 Å²	33.3	2%	0.021	20%	0.202	C	C	.	.			trans	-71.3	148.5	-171.3	74.5	0	0	0	0	112.6	C604 F649 N651	S602-C604 PolarHBondContact O-N 2.86Å; S602-F649 WeakPolarHBondContact OG-CZ 3.33Å; S602-N651 PolarHBondContact O-ND2 3.02Å
603	P	92.4	Very high	88.6	Confident	50 Å²	50	35.5 Å²	35.5	33%	0.325	23%	0.226	S	C	.	.			trans	-58.2	106.6	-170.4	-26.9	35.1	0	0	0	114.5	N605 T621 L624	P603-N605 PolarHBondContact O-N 3.36Å; P603-T621 PolarHBondContact O-OG1 2.83Å; P603-L624 HydrophobicContact CG-CD1 4.01Å
604	C	87.5	Confident	88.6	Confident	38 Å²	38	40.7 Å²	40.7	26%	0.257	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-0.3	-170.7	67.6	0	0	0	0	116.3	S602 D606 L607 S608 N651 V652	S602-C604 PolarHBondContact O-N 2.86Å; C604-D606 PolarHBondContact O-N 2.83Å; C604-L607 PolarHBondContact O-N 2.98Å; C604-S608 WeakPolarHBondContact O-CB 2.96Å; C604-S608 PolarHBondContact O-N 3.19Å; C604-N651 VanDerWaalsContact CB-OD1 3.25Å; C604-N651 WeakPolarHBondContact CB-OD1 3.27Å; C604-V652 HydrophobicContact CB-CB 4.37Å; C604-V652 HydrophobicContact CB-CG1 3.65Å; C604-V652 HydrophobicContact CB-CG2 3.86Å
605	N	87.8	Confident	88.1	Confident	85 Å²	85	44.2 Å²	44.2	46%	0.455	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-42.9	-172.8	-75.9	-1.8	0	0	0	113.1	P603 N611	P603-N605 PolarHBondContact O-N 3.36Å; N605-N611 PolarHBondContact O-ND2 2.8Å
606	D	85.8	Confident	87.2	Confident	17 Å²	17	44.9 Å²	44.9	9%	0.091	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-11.2	179.2	-81.8	-54.7	0	0	0	113.9	C604 R614 K615 G616 G620 T621	C604-D606 PolarHBondContact O-N 2.83Å; D606-R614 WeakPolarHBondContact O-CB 3.4Å; D606-K615 HydrophobicContact CB-CB 4.31Å; D606-K615 WeakPolarHBondContact OD1-CB 3.29Å; D606-K615 WeakPolarHBondContact OD1-CG 3.46Å; D606-K615 PolarHBondContact OD1-N 2.86Å; D606-G616 VanDerWaalsContact O-CA 3.3Å; D606-G616 WeakPolarHBondContact O-CA 3.49Å; D606-G616 PolarHBondContact O-N 3.02Å; D606-G620 VanDerWaalsContact OD2-CA 3.29Å; D606-G620 WeakPolarHBondContact OD2-CA 3.4Å; D606-T621 PolarHBondContact OD2-N 3.48Å
607	L	79.6	Confident	86.4	Confident	1 Å²	1	44 Å²	44	1%	0.005	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-31.1	173.8	-62.8	175.5	0	0	0	112.1	C604 L617 N651 M655 D659	C604-L607 PolarHBondContact O-N 2.98Å; L607-L617 HydrophobicContact CD2-CB 4.03Å; L607-L617 HydrophobicContact CD2-CD1 3.73Å; L607-N651 WeakPolarHBondContact CD1-OD1 3.47Å; L607-M655 HydrophobicContact CB-CB 4.46Å; L607-M655 WeakPolarHBondContact O-CA 3.19Å; L607-D659 HydrophobicContact CD2-CB 4.44Å
608	S	79.4	Confident	85.5	Confident	12 Å²	12	50.5 Å²	50.5	8%	0.084	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-80.3	128.5	-167.1	-163.2	0	0	0	0	114.1	C604 V610 N611 R614 A654	C604-S608 WeakPolarHBondContact O-CB 2.96Å; C604-S608 PolarHBondContact O-N 3.19Å; S608-V610 PolarHBondContact O-N 2.87Å; S608-V610 VanDerWaalsContact O-N 3.13Å; S608-N611 WeakPolarHBondContact O-CB 3.5Å; S608-N611 PolarHBondContact O-N 3.38Å; S608-R614 VanDerWaalsContact O-CD 3.28Å; S608-R614 WeakPolarHBondContact O-CD 3.49Å; S608-A654 CarbonylContact C-O 3.59Å; S608-A654 WeakPolarHBondContact CA-O 3.32Å; S608-A654 PolarHBondContact OG-O 2.93Å
609	I	72.3	Confident	84.5	Confident	89 Å²	89	51.1 Å²	51.1	46%	0.456	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-18.9	178.7	69.3	-177.4	0	0	0	113.4	N611 A654	I609-N611 PolarHBondContact O-N 3.48Å; I609-A654 HydrophobicContact CG1-CB 4.28Å; I609-A654 PolarHBondContact N-O 2.81Å
610	V	76.5	Confident	84	Confident	110 Å²	110	52.4 Å²	52.4	67%	0.667	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-8.5	176.3	-46.2	0	0	0	0	112.9	S608 P612 A654	S608-V610 PolarHBondContact O-N 2.87Å; S608-V610 VanDerWaalsContact O-N 3.13Å; V610-P612 WeakPolarHBondContact O-CD 3.33Å; V610-A654 HydrophobicContact CG1-CB 4.25Å
611	N	81.2	Confident	83.6	Confident	32 Å²	32	54.5 Å²	54.5	17%	0.171	31%	0.314	C	S	.	.			trans	-94.2	116	169.6	179.2	17.3	0	0	0	109.6	N605 S608 I609 A613 R614	N605-N611 PolarHBondContact O-ND2 2.8Å; S608-N611 WeakPolarHBondContact O-CB 3.5Å; S608-N611 PolarHBondContact O-N 3.38Å; I609-N611 PolarHBondContact O-N 3.48Å; N611-A613 VanDerWaalsContact C-N 3.28Å; N611-A613 PolarHBondContact O-N 3.27Å; N611-A613 PolarHBondContact OD1-N 3.41Å; N611-R614 HydrophobicContact CB-CB 4.08Å; N611-R614 PolarHBondContact ND2-N 2.81Å; N611-R614 WeakPolarHBondContact O-CB 3.35Å; N611-R614 WeakPolarHBondContact O-CG 3.41Å; N611-R614 PolarHBondContact O-N 2.98Å; N611-R614 PolarHBondContact O-NH1 3.4Å
612	P	76.6	Confident	83.1	Confident	118 Å²	118	53.8 Å²	53.8	77%	0.766	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-32.2	174.2	-22.1	34.4	0	0	0	112.8	V610 R614	V610-P612 WeakPolarHBondContact O-CD 3.33Å; P612-R614 VanDerWaalsContact C-N 3.3Å; P612-R614 PolarHBondContact O-N 3.05Å
613	A	84.4	Confident	83	Confident	74 Å²	74	60 Å²	60	61%	0.612	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	21.6	-177.5	0	0	0	0	0	113.4	N611	N611-A613 VanDerWaalsContact C-N 3.28Å; N611-A613 PolarHBondContact O-N 3.27Å; N611-A613 PolarHBondContact OD1-N 3.41Å
614	R	85.6	Confident	83.1	Confident	119 Å²	119	59 Å²	59	45%	0.449	32%	0.321	S	S	.	.			trans	-68.6	142.6	-177.9	76.7	-173.2	179.5	-75.1	-8.7	111.7	D606 S608 N611 P612	D606-R614 WeakPolarHBondContact O-CB 3.4Å; S608-R614 VanDerWaalsContact O-CD 3.28Å; S608-R614 WeakPolarHBondContact O-CD 3.49Å; N611-R614 HydrophobicContact CB-CB 4.08Å; N611-R614 PolarHBondContact ND2-N 2.81Å; N611-R614 WeakPolarHBondContact O-CB 3.35Å; N611-R614 WeakPolarHBondContact O-CG 3.41Å; N611-R614 PolarHBondContact O-N 2.98Å; N611-R614 PolarHBondContact O-NH1 3.4Å; P612-R614 VanDerWaalsContact C-N 3.3Å; P612-R614 PolarHBondContact O-N 3.05Å
615	K	84.5	Confident	83.5	Confident	145 Å²	145	57.1 Å²	57.1	63%	0.63	31%	0.309	S	S	*	.			trans	-103.9	-0.4	-179.4	-60.7	175.3	179.4	177.9	0	114.8	D606 G619	D606-K615 HydrophobicContact CB-CB 4.31Å; D606-K615 WeakPolarHBondContact OD1-CB 3.29Å; D606-K615 WeakPolarHBondContact OD1-CG 3.46Å; D606-K615 PolarHBondContact OD1-N 2.86Å; K615-G619 WeakPolarHBondContact O-CA 3.39Å
616	G	77.6	Confident	83.6	Confident	16 Å²	16	55.3 Å²	55.3	17%	0.165	30%	0.297	C	S	.	.			trans	73.2	179	179.1	0	0	0	0	0	113.7	D606 F618 G619	D606-G616 VanDerWaalsContact O-CA 3.3Å; D606-G616 WeakPolarHBondContact O-CA 3.49Å; D606-G616 PolarHBondContact O-N 3.02Å; G616-F618 VanDerWaalsContact C-N 3.27Å; G616-F618 PolarHBondContact O-N 3.36Å; G616-G619 PolarHBondContact O-N 2.94Å; G616-G619 VanDerWaalsContact O-O 3.04Å
617	L	81.4	Confident	84.2	Confident	1 Å²	1	56.6 Å²	56.6	1%	0.005	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-37.1	-176	-172.9	63.1	0	0	0	114.3	L607 G622 R623 F625 F626 D659 D662 I663	L607-L617 HydrophobicContact CD2-CB 4.03Å; L607-L617 HydrophobicContact CD2-CD1 3.73Å; L617-G622 CarbonylContact O-C 3.48Å; L617-R623 WeakPolarHBondContact O-CA 3.4Å; L617-R623 PolarHBondContact O-N 2.8Å; L617-F625 HydrophobicContact CD1-CB 3.83Å; L617-F625 HydrophobicContact CD1-CD1 3.71Å; L617-F625 HydrophobicContact CD1-CG 3.96Å; L617-F625 HydrophobicContact CD2-CD1 4.38Å; L617-F625 HydrophobicContact CG-CD1 4.38Å; L617-F626 HydrophobicContact CD2-CZ 3.99Å; L617-F626 HydrophobicContact CG-CE2 4.15Å; L617-F626 HydrophobicContact CG-CZ 3.8Å; L617-D659 HydrophobicContact CB-CB 4.25Å; L617-D659 WeakPolarHBondContact CB-OD1 3.33Å; L617-D659 PolarHBondContact N-OD1 3.46Å; L617-D662 HydrophobicContact CD2-CB 4.25Å; L617-I663 HydrophobicContact CD1-CD1 3.98Å; L617-I663 HydrophobicContact CD1-CG1 3.81Å; L617-I663 HydrophobicContact CD2-CG1 4Å
618	F	79.4	Confident	85	Confident	135 Å²	135	56.5 Å²	56.5	59%	0.592	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-8.5	-178.1	-57.5	-84.5	0	0	0	113.3	G616 R623 F626	G616-F618 VanDerWaalsContact C-N 3.27Å; G616-F618 PolarHBondContact O-N 3.36Å; F618-R623 PolarHBondContact O-NH2 2.84Å; F618-F626 AromaticContact CD1-CE2 3.82Å; F618-F626 HydrophobicContact CD1-CE2 3.82Å; F618-F626 AromaticContact CD1-CZ 3.74Å; F618-F626 HydrophobicContact CD1-CZ 3.74Å; F618-F626 HydrophobicContact CE1-CE1 4.33Å; F618-F626 HydrophobicContact CE1-CE2 4.03Å; F618-F626 AromaticContact CE1-CZ 3.45Å; F618-F626 HydrophobicContact CE1-CZ 3.45Å; F618-F626 VanDerWaalsContact CE1-CZ 3.45Å; F618-F626 HydrophobicContact CZ-CZ 4.08Å
619	G	76.8	Confident	85.8	Confident	14 Å²	14	59.4 Å²	59.4	14%	0.144	31%	0.312	C	S	.	.	S	Bend	trans	-113.6	159.3	-174.9	0	0	0	0	0	113.8	K615 G616 T621 G622	K615-G619 WeakPolarHBondContact O-CA 3.39Å; G616-G619 PolarHBondContact O-N 2.94Å; G616-G619 VanDerWaalsContact O-O 3.04Å; G619-T621 PolarHBondContact O-N 3.07Å; G619-G622 PolarHBondContact O-N 3.31Å
620	G	90.1	Very high	86.9	Confident	27 Å²	27	58.7 Å²	58.7	28%	0.278	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	-129.5	172.2	0	0	0	0	0	113.7	D606 G622 R623	D606-G620 VanDerWaalsContact OD2-CA 3.29Å; D606-G620 WeakPolarHBondContact OD2-CA 3.4Å; G620-G622 VanDerWaalsContact C-N 3.35Å; G620-R623 WeakPolarHBondContact O-CG 3.38Å; G620-R623 PolarHBondContact O-NE 3.42Å
621	T	87.8	Confident	87.9	Confident	43 Å²	43	53.4 Å²	53.4	26%	0.264	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-14.4	175.6	68.8	0	0	0	0	114.1	P603 D606 G619 R623 L624	P603-T621 PolarHBondContact O-OG1 2.83Å; D606-T621 PolarHBondContact OD2-N 3.48Å; G619-T621 PolarHBondContact O-N 3.07Å; T621-R623 PolarHBondContact O-N 3.43Å; T621-L624 VanDerWaalsContact O-CB 3.32Å; T621-L624 WeakPolarHBondContact O-CB 3.3Å; T621-L624 WeakPolarHBondContact O-CG 3.15Å; T621-L624 PolarHBondContact O-N 3.3Å; T621-L624 VanDerWaalsContact O-N 3.13Å
622	G	85.1	Confident	88.6	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-36.2	-179.9	0	0	0	0	0	112.4	L617 G619 G620 L624 F625	L617-G622 CarbonylContact O-C 3.48Å; G619-G622 PolarHBondContact O-N 3.31Å; G620-G622 VanDerWaalsContact C-N 3.35Å; G622-L624 PolarHBondContact O-N 3.3Å; G622-F625 WeakPolarHBondContact O-CB 3.45Å; G622-F625 PolarHBondContact O-N 3.4Å
623	R	91.1	Very high	89.4	Confident	135 Å²	135	48.8 Å²	48.8	51%	0.509	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-21.3	179.4	73.4	-174	53.6	-164.5	-17.7	114.5	L617 F618 G620 T621 F625 F626	L617-R623 WeakPolarHBondContact O-CA 3.4Å; L617-R623 PolarHBondContact O-N 2.8Å; F618-R623 PolarHBondContact O-NH2 2.84Å; G620-R623 WeakPolarHBondContact O-CG 3.38Å; G620-R623 PolarHBondContact O-NE 3.42Å; T621-R623 PolarHBondContact O-N 3.43Å; R623-F625 PolarHBondContact O-N 3.23Å; R623-F626 HydrophobicContact CB-CD2 4.34Å; R623-F626 WeakPolarHBondContact O-CB 3.39Å; R623-F626 WeakPolarHBondContact O-CD2 3.2Å; R623-F626 PolarHBondContact O-N 2.96Å
624	L	94.8	Very high	89.9	Confident	27 Å²	27	47.6 Å²	47.6	14%	0.141	23%	0.226	C	C	.	.	H	α-helix	trans	-66.2	-15.7	179	-64.1	174.1	0	0	0	112.3	F534 V581 R582 P603 T621 G622 F626 E627 F628	F534-L624 HydrophobicContact CE1-CB 3.85Å; F534-L624 HydrophobicContact CE1-CD1 4.13Å; F534-L624 HydrophobicContact CE1-CD2 4.37Å; F534-L624 HydrophobicContact CE1-CG 4.34Å; F534-L624 HydrophobicContact CZ-CB 3.68Å; F534-L624 WeakPolarHBondContact CZ-O 3.46Å; V581-L624 HydrophobicContact CG1-CD2 4.13Å; R582-L624 HydrophobicContact CG-CD2 4.24Å; P603-L624 HydrophobicContact CG-CD1 4.01Å; T621-L624 VanDerWaalsContact O-CB 3.32Å; T621-L624 WeakPolarHBondContact O-CB 3.3Å; T621-L624 WeakPolarHBondContact O-CG 3.15Å; T621-L624 PolarHBondContact O-N 3.3Å; T621-L624 VanDerWaalsContact O-N 3.13Å; G622-L624 PolarHBondContact O-N 3.3Å; L624-F626 VanDerWaalsContact C-N 3.3Å; L624-F626 PolarHBondContact O-N 2.93Å; L624-E627 HydrophobicContact CD2-CG 4.4Å; L624-E627 PolarHBondContact O-N 3.07Å; L624-F628 PolarHBondContact O-N 3Å
625	F	95.1	Very high	90.3	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-56.6	-41	163.5	167.8	-109.2	0	0	0	112.9	L617 G622 R623 E627 F628 Y629 F649 I663 F666 L667	L617-F625 HydrophobicContact CD1-CB 3.83Å; L617-F625 HydrophobicContact CD1-CD1 3.71Å; L617-F625 HydrophobicContact CD1-CG 3.96Å; L617-F625 HydrophobicContact CD2-CD1 4.38Å; L617-F625 HydrophobicContact CG-CD1 4.38Å; G622-F625 WeakPolarHBondContact O-CB 3.45Å; G622-F625 PolarHBondContact O-N 3.4Å; R623-F625 PolarHBondContact O-N 3.23Å; F625-E627 VanDerWaalsContact C-N 3.26Å; F625-E627 PolarHBondContact O-N 3.21Å; F625-F628 WeakPolarHBondContact O-CB 3.36Å; F625-F628 PolarHBondContact O-N 3.02Å; F625-F628 VanDerWaalsContact O-N 3.15Å; F625-Y629 PolarHBondContact O-N 2.71Å; F625-F649 HydrophobicContact CD2-CD1 4.35Å; F625-F649 AromaticContact CD2-CE1 3.77Å; F625-F649 HydrophobicContact CD2-CE1 3.77Å; F625-F649 HydrophobicContact CD2-CE2 4.1Å; F625-F649 AromaticContact CD2-CZ 3.63Å; F625-F649 HydrophobicContact CD2-CZ 3.63Å; F625-F649 HydrophobicContact CE2-CD1 4.37Å; F625-F649 HydrophobicContact CE2-CE1 4.17Å; F625-F649 HydrophobicContact CE2-CZ 4.42Å; F625-I663 HydrophobicContact CD1-CG1 4.14Å; F625-I663 HydrophobicContact CD2-CG1 4.23Å; F625-I663 HydrophobicContact CD2-CG2 4.36Å; F625-I663 HydrophobicContact CE1-CG1 4.05Å; F625-I663 HydrophobicContact CE2-CB 4.37Å; F625-I663 HydrophobicContact CE2-CG1 4.17Å; F625-I663 HydrophobicContact CE2-CG2 3.73Å; F625-I663 HydrophobicContact CG-CG1 4.22Å; F625-I663 HydrophobicContact CZ-CB 4.16Å; F625-I663 HydrophobicContact CZ-CG1 4.07Å; F625-I663 HydrophobicContact CZ-CG2 3.91Å; F625-F666 HydrophobicContact CE1-CB 3.76Å; F625-F666 HydrophobicContact CE1-CD2 4.05Å; F625-F666 HydrophobicContact CE1-CG 4.07Å; F625-F666 HydrophobicContact CZ-CB 3.68Å; F625-F666 HydrophobicContact CZ-CG 4.48Å; F625-L667 HydrophobicContact CE2-CD1 3.91Å; F625-L667 HydrophobicContact CE2-CD2 4.07Å; F625-L667 HydrophobicContact CE2-CG 3.87Å; F625-L667 HydrophobicContact CZ-CD1 4.41Å; F625-L667 HydrophobicContact CZ-CD2 4.28Å; F625-L667 HydrophobicContact CZ-CG 3.94Å
626	F	91.8	Very high	90.7	Very high	47 Å²	47	39.4 Å²	39.4	21%	0.206	20%	0.195	C	C	.	.	H	α-helix	trans	-69.2	-26.5	-178.8	-58.3	-63.4	0	0	0	112.5	L617 F618 R623 L624 Y629 R630 F666	L617-F626 HydrophobicContact CD2-CZ 3.99Å; L617-F626 HydrophobicContact CG-CE2 4.15Å; L617-F626 HydrophobicContact CG-CZ 3.8Å; F618-F626 AromaticContact CD1-CE2 3.82Å; F618-F626 HydrophobicContact CD1-CE2 3.82Å; F618-F626 AromaticContact CD1-CZ 3.74Å; F618-F626 HydrophobicContact CD1-CZ 3.74Å; F618-F626 HydrophobicContact CE1-CE1 4.33Å; F618-F626 HydrophobicContact CE1-CE2 4.03Å; F618-F626 AromaticContact CE1-CZ 3.45Å; F618-F626 HydrophobicContact CE1-CZ 3.45Å; F618-F626 VanDerWaalsContact CE1-CZ 3.45Å; F618-F626 HydrophobicContact CZ-CZ 4.08Å; R623-F626 HydrophobicContact CB-CD2 4.34Å; R623-F626 WeakPolarHBondContact O-CB 3.39Å; R623-F626 WeakPolarHBondContact O-CD2 3.2Å; R623-F626 PolarHBondContact O-N 2.96Å; L624-F626 VanDerWaalsContact C-N 3.3Å; L624-F626 PolarHBondContact O-N 2.93Å; F626-Y629 PolarHBondContact O-N 3.41Å; F626-R630 VanDerWaalsContact O-CB 3.22Å; F626-R630 WeakPolarHBondContact O-CB 3.47Å; F626-R630 PolarHBondContact O-N 2.76Å; F626-F666 AromaticContact CE1-CD2 3.87Å; F626-F666 HydrophobicContact CE1-CD2 3.87Å; F626-F666 HydrophobicContact CE1-CE1 4.4Å; F626-F666 AromaticContact CE1-CE2 3.61Å; F626-F666 HydrophobicContact CE1-CE2 3.61Å; F626-F666 HydrophobicContact CE1-CG 4.41Å; F626-F666 AromaticContact CE1-CZ 3.9Å; F626-F666 HydrophobicContact CE1-CZ 3.9Å; F626-F666 HydrophobicContact CZ-CE2 4.37Å
627	E	96.6	Very high	91.4	Very high	43 Å²	43	39.9 Å²	39.9	20%	0.201	20%	0.195	C	C	.	.	H	α-helix	trans	-70.1	-38.2	171.8	-58.6	-61.6	161.6	0	0	111.7	V581 R582 L624 F625 R630 L631	V581-E627 HydrophobicContact CB-CB 4.43Å; V581-E627 HydrophobicContact CG1-CB 3.76Å; V581-E627 HydrophobicContact CG1-CG 4.01Å; V581-E627 HydrophobicContact CG2-CB 3.85Å; R582-E627 HydrophobicContact CG-CG 4Å; L624-E627 HydrophobicContact CD2-CG 4.4Å; L624-E627 PolarHBondContact O-N 3.07Å; F625-E627 VanDerWaalsContact C-N 3.26Å; F625-E627 PolarHBondContact O-N 3.21Å; E627-R630 IonicContact OE2-CZ 3.31Å; E627-R630 IonicContact OE2-NE 3.62Å; E627-R630 PolarHBondContact OE2-NE 2.92Å; E627-R630 IonicContact OE2-NH2 2.73Å; E627-R630 PolarHBondContact OE2-NH2 2.82Å; E627-L631 WeakPolarHBondContact O-CB 3.46Å; E627-L631 WeakPolarHBondContact O-CG 3.35Å; E627-L631 PolarHBondContact O-N 3.01Å
628	F	97.8	Very high	91.7	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-61.3	-50.4	169.7	177.1	-89.1	0	0	0	111.2	L533 F534 V598 L624 F625 R630 L631 L632 W647 F649 L667	L533-F628 HydrophobicContact CB-CD2 4.33Å; L533-F628 HydrophobicContact CD1-CD2 3.9Å; F534-F628 HydrophobicContact CE2-CB 4.31Å; V598-F628 HydrophobicContact CG1-CE2 4.18Å; L624-F628 PolarHBondContact O-N 3Å; F625-F628 WeakPolarHBondContact O-CB 3.36Å; F625-F628 PolarHBondContact O-N 3.02Å; F625-F628 VanDerWaalsContact O-N 3.15Å; F628-R630 VanDerWaalsContact C-N 3.33Å; F628-R630 PolarHBondContact O-N 3.02Å; F628-L631 PolarHBondContact O-N 3.39Å; F628-L632 HydrophobicContact CE1-CB 4.34Å; F628-L632 HydrophobicContact CE1-CD2 3.79Å; F628-L632 HydrophobicContact CZ-CD2 4.32Å; F628-L632 WeakPolarHBondContact O-CB 3.3Å; F628-L632 PolarHBondContact O-N 2.95Å; F628-W647 HydrophobicContact CE1-CE3 4.23Å; F628-W647 HydrophobicContact CZ-CE3 4.25Å; F628-F649 HydrophobicContact CB-CD2 4.38Å; F628-F649 HydrophobicContact CB-CE2 4.38Å; F628-F649 HydrophobicContact CD1-CB 4.24Å; F628-F649 AromaticContact CD1-CD2 3.67Å; F628-F649 HydrophobicContact CD1-CD2 3.67Å; F628-F649 HydrophobicContact CD1-CE2 4.38Å; F628-F649 HydrophobicContact CD1-CG 4.15Å; F628-F649 HydrophobicContact CD2-CD2 4.02Å; F628-F649 HydrophobicContact CE1-CB 3.66Å; F628-F649 AromaticContact CE1-CD2 3.93Å; F628-F649 HydrophobicContact CE1-CD2 3.93Å; F628-F649 HydrophobicContact CE1-CG 4.08Å; F628-F649 HydrophobicContact CE2-CD2 4.26Å; F628-F649 AromaticContact CG-CD2 3.74Å; F628-F649 HydrophobicContact CG-CD2 3.74Å; F628-F649 HydrophobicContact CG-CE2 4.22Å; F628-F649 HydrophobicContact CZ-CB 3.87Å; F628-F649 HydrophobicContact CZ-CD2 4.22Å; F628-F649 HydrophobicContact CZ-CG 4.5Å; F628-L667 HydrophobicContact CD1-CD2 4.44Å; F628-L667 HydrophobicContact CE1-CD2 4.2Å
629	Y	95.6	Very high	91.9	Very high	73 Å²	73	50.5 Å²	50.5	29%	0.286	24%	0.244	S	C	.	.	H	α-helix	trans	-59	-43.3	178.6	171.3	-108.7	0	0	0	112.3	F625 F626 S633 F666 L667	F625-Y629 PolarHBondContact O-N 2.71Å; F626-Y629 PolarHBondContact O-N 3.41Å; Y629-S633 WeakPolarHBondContact O-CB 3.25Å; Y629-S633 PolarHBondContact O-N 2.96Å; Y629-S633 PolarHBondContact O-OG 2.92Å; Y629-F666 HydrophobicContact CD1-CD1 4.09Å; Y629-F666 HydrophobicContact CD2-CB 4.37Å; Y629-F666 VanDerWaalsContact CD2-O 3.24Å; Y629-F666 WeakPolarHBondContact CD2-O 3.43Å; Y629-F666 AromaticContact CE1-CD1 3.9Å; Y629-F666 HydrophobicContact CE1-CD1 3.9Å; Y629-F666 HydrophobicContact CE1-CE1 4.45Å; Y629-F666 WeakPolarHBondContact CE2-O 3.46Å; Y629-L667 HydrophobicContact CD2-CD2 4.48Å
630	R	96.1	Very high	92	Very high	73 Å²	73	53.5 Å²	53.5	28%	0.275	28%	0.275	S	S	.	.	H	α-helix	trans	-58.7	-55.8	175.5	-178	179.7	66.8	80.4	-3.6	111.2	V581 I584 F626 E627 F628 L632 S633 E634	V581-R630 PolarHBondContact O-NH2 3.2Å; I584-R630 PolarHBondContact O-NH1 3.01Å; I584-R630 PolarHBondContact O-NH2 3.05Å; I584-R630 VanDerWaalsContact O-NH2 3.13Å; F626-R630 VanDerWaalsContact O-CB 3.22Å; F626-R630 WeakPolarHBondContact O-CB 3.47Å; F626-R630 PolarHBondContact O-N 2.76Å; E627-R630 IonicContact OE2-CZ 3.31Å; E627-R630 IonicContact OE2-NE 3.62Å; E627-R630 PolarHBondContact OE2-NE 2.92Å; E627-R630 IonicContact OE2-NH2 2.73Å; E627-R630 PolarHBondContact OE2-NH2 2.82Å; F628-R630 VanDerWaalsContact C-N 3.33Å; F628-R630 PolarHBondContact O-N 3.02Å; R630-L632 PolarHBondContact O-N 2.9Å; R630-S633 WeakPolarHBondContact O-CB 3.33Å; R630-S633 PolarHBondContact O-N 2.69Å; R630-S633 VanDerWaalsContact O-N 3.13Å; R630-E634 WeakPolarHBondContact O-CG 3.29Å; R630-E634 PolarHBondContact O-N 3.47Å
631	L	97.1	Very high	91.8	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-69.3	-32.5	-176.9	-65.8	179.5	0	0	0	113.1	L533 V581 I584 I589 E627 F628 S633 E634 A635	L533-L631 HydrophobicContact CD1-CB 3.82Å; L533-L631 HydrophobicContact CD1-CD1 3.88Å; L533-L631 HydrophobicContact CD1-CG 4.48Å; L533-L631 HydrophobicContact CD2-CD1 3.9Å; V581-L631 HydrophobicContact CG2-CD1 3.43Å; V581-L631 VanDerWaalsContact CG2-CD1 3.43Å; I584-L631 HydrophobicContact CB-CD1 4Å; I584-L631 HydrophobicContact CB-CD2 4.08Å; I584-L631 HydrophobicContact CD1-CD1 4.04Å; I584-L631 HydrophobicContact CG2-CD1 4.13Å; I584-L631 HydrophobicContact CG2-CD2 3.76Å; I589-L631 HydrophobicContact CD1-CD2 4.12Å; I589-L631 HydrophobicContact CG1-CD2 3.9Å; E627-L631 WeakPolarHBondContact O-CB 3.46Å; E627-L631 WeakPolarHBondContact O-CG 3.35Å; E627-L631 PolarHBondContact O-N 3.01Å; F628-L631 PolarHBondContact O-N 3.39Å; L631-S633 VanDerWaalsContact C-N 3.31Å; L631-S633 PolarHBondContact O-N 3.31Å; L631-E634 PolarHBondContact O-N 2.7Å; L631-A635 VanDerWaalsContact O-CB 3.29Å; L631-A635 WeakPolarHBondContact O-CB 3.48Å; L631-A635 PolarHBondContact O-N 3.08Å
632	L	96.4	Very high	91.6	Very high	4 Å²	4	59.4 Å²	59.4	2%	0.021	30%	0.296	C	S	.	.	H	α-helix	trans	-58.2	-45.3	168.6	173.3	59.3	0	0	0	110.9	V598 F628 R630 E634 A635 K636 F645 W647 L667	V598-L632 HydrophobicContact CB-CD1 4.11Å; V598-L632 HydrophobicContact CG1-CD1 4.24Å; V598-L632 HydrophobicContact CG2-CD1 4.46Å; F628-L632 HydrophobicContact CE1-CB 4.34Å; F628-L632 HydrophobicContact CE1-CD2 3.79Å; F628-L632 HydrophobicContact CZ-CD2 4.32Å; F628-L632 WeakPolarHBondContact O-CB 3.3Å; F628-L632 PolarHBondContact O-N 2.95Å; R630-L632 PolarHBondContact O-N 2.9Å; L632-E634 VanDerWaalsContact C-N 3.32Å; L632-E634 PolarHBondContact O-N 3.24Å; L632-A635 PolarHBondContact O-N 2.95Å; L632-K636 WeakPolarHBondContact O-CG 3.39Å; L632-K636 PolarHBondContact O-N 3.2Å; L632-F645 HydrophobicContact CD1-CE1 3.91Å; L632-F645 HydrophobicContact CD1-CZ 3.88Å; L632-W647 HydrophobicContact CD1-CB 3.52Å; L632-W647 HydrophobicContact CD1-CD2 4.19Å; L632-W647 HydrophobicContact CD1-CG 3.6Å; L632-W647 HydrophobicContact CD2-CD2 3.69Å; L632-W647 HydrophobicContact CD2-CE3 3.79Å; L632-W647 HydrophobicContact CD2-CG 4.02Å; L632-W647 HydrophobicContact CD2-CZ3 4.35Å; L632-W647 HydrophobicContact CG-CG 4.47Å; L632-L667 HydrophobicContact CD2-CD2 4.19Å
633	S	93.1	Very high	91.8	Very high	49 Å²	49	61.8 Å²	61.8	34%	0.343	31%	0.305	S	S	.	.	H	α-helix	trans	-68.1	-31.2	-179.8	-56.4	0	0	0	0	112.8	Y629 R630 L631	Y629-S633 WeakPolarHBondContact O-CB 3.25Å; Y629-S633 PolarHBondContact O-N 2.96Å; Y629-S633 PolarHBondContact O-OG 2.92Å; R630-S633 WeakPolarHBondContact O-CB 3.33Å; R630-S633 PolarHBondContact O-N 2.69Å; R630-S633 VanDerWaalsContact O-N 3.13Å; L631-S633 VanDerWaalsContact C-N 3.31Å; L631-S633 PolarHBondContact O-N 3.31Å
634	E	94.2	Very high	91.9	Very high	49 Å²	49	56.6 Å²	56.6	23%	0.229	29%	0.289	C	S	.	.	H	α-helix	trans	-76.4	-23.5	173.1	-64.5	-67.5	172.2	0	0	113.6	R586 I589 R630 L631 L632	R586-E634 WeakPolarHBondContact CD-OE2 3.41Å; R586-E634 VanDerWaalsContact CG-OE2 3.27Å; R586-E634 WeakPolarHBondContact CG-OE2 3.45Å; R586-E634 IonicContact CZ-OE1 2.74Å; R586-E634 VanDerWaalsContact CZ-OE1 3.31Å; R586-E634 IonicContact CZ-OE2 2.71Å; R586-E634 VanDerWaalsContact NE-CD 3.25Å; R586-E634 IonicContact NE-OE1 3.3Å; R586-E634 PolarHBondContact NE-OE1 3.35Å; R586-E634 IonicContact NE-OE2 2.69Å; R586-E634 PolarHBondContact NE-OE2 3.47Å; R586-E634 IonicContact NH2-OE1 3.96Å; R586-E634 PolarHBondContact NH2-OE1 3.09Å; R586-E634 IonicContact NH2-OE2 3.41Å; R586-E634 PolarHBondContact NH2-OE2 2.9Å; I589-E634 HydrophobicContact CB-CB 4.41Å; I589-E634 HydrophobicContact CG1-CB 4.37Å; I589-E634 HydrophobicContact CG2-CB 4.19Å; R630-E634 WeakPolarHBondContact O-CG 3.29Å; R630-E634 PolarHBondContact O-N 3.47Å; L631-E634 PolarHBondContact O-N 2.7Å; L632-E634 VanDerWaalsContact C-N 3.32Å; L632-E634 PolarHBondContact O-N 3.24Å
635	A	94.9	Very high	91.9	Very high	8 Å²	8	55.5 Å²	55.5	7%	0.066	28%	0.283	C	S	.	.	H	α-helix	trans	-97	-15.4	-178.3	0	0	0	0	0	114.3	I589 V598 L631 L632 F645	I589-A635 HydrophobicContact CG2-CB 3.93Å; V598-A635 HydrophobicContact CG2-CB 3.8Å; L631-A635 VanDerWaalsContact O-CB 3.29Å; L631-A635 WeakPolarHBondContact O-CB 3.48Å; L631-A635 PolarHBondContact O-N 3.08Å; L632-A635 PolarHBondContact O-N 2.95Å; A635-F645 HydrophobicContact CB-CE2 4.4Å; A635-F645 HydrophobicContact CB-CZ 4.4Å; A635-F645 VanDerWaalsContact O-CE2 3.22Å; A635-F645 WeakPolarHBondContact O-CE2 3.49Å
636	K	92.3	Very high	92	Very high	84 Å²	84	55.7 Å²	55.7	37%	0.365	28%	0.284	S	S	.	.	S	Bend	trans	-53.7	138.6	172.7	-84.5	177.3	178.9	-178.1	0	110.1	L632 F645 E668	L632-K636 WeakPolarHBondContact O-CG 3.39Å; L632-K636 PolarHBondContact O-N 3.2Å; K636-F645 HydrophobicContact CB-CE1 4.36Å; K636-F645 HydrophobicContact CG-CD1 4.44Å; K636-F645 HydrophobicContact CG-CE1 3.74Å; K636-F645 HydrophobicContact CG-CZ 4.27Å; K636-E668 IonicContact NZ-OE2 3.19Å
637	P	91.9	Very high	92.3	Very high	26 Å²	26	54.5 Å²	54.5	17%	0.169	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-56.7	152.3	169.6	-17.2	26.7	0	0	0	111.2	E641 F645	P637-E641 HydrophobicContact CB-CB 3.66Å; P637-E641 WeakPolarHBondContact CB-OE2 3.45Å; P637-F645 HydrophobicContact CG-CB 3.46Å; P637-F645 VanDerWaalsContact CG-CB 3.46Å; P637-F645 HydrophobicContact CG-CD1 4.46Å; P637-F645 HydrophobicContact CG-CD2 4.23Å; P637-F645 HydrophobicContact CG-CG 3.83Å
638	K	87.8	Confident	92.3	Very high	155 Å²	155	52.5 Å²	52.5	67%	0.674	27%	0.268	S	S	*	.	P	Polyproline II helix	trans	-72.2	161.2	173.7	-60.3	172.8	-172.6	164.7	0	111	G640 E641	K638-G640 PolarHBondContact O-N 2.89Å; K638-E641 HydrophobicContact CB-CG 4.35Å; K638-E641 WeakPolarHBondContact CB-OE1 3.46Å; K638-E641 WeakPolarHBondContact O-CB 3.3Å; K638-E641 PolarHBondContact O-N 2.71Å
639	E	82.9	Confident	92.3	Very high	204 Å²	204	52.5 Å²	52.5	95%	0.953	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	134.2	169.3	-65.8	179.9	177.9	0	0	110.3
640	G	80.2	Confident	92.3	Very high	76 Å²	76	49.7 Å²	49.7	78%	0.784	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.4	-10.2	-170.1	0	0	0	0	0	115.5	K638	K638-G640 PolarHBondContact O-N 2.89Å
641	E	85.6	Confident	92.3	Very high	71 Å²	71	46.3 Å²	46.3	33%	0.332	25%	0.246	S	C	.	.			trans	-86	112.9	169.8	-66.8	177.7	-149	0	0	110.9	K515 P637 K638 R643	K515-E641 PolarHBondContact NZ-O 3.15Å; P637-E641 HydrophobicContact CB-CB 3.66Å; P637-E641 WeakPolarHBondContact CB-OE2 3.45Å; K638-E641 HydrophobicContact CB-CG 4.35Å; K638-E641 WeakPolarHBondContact CB-OE1 3.46Å; K638-E641 WeakPolarHBondContact O-CB 3.3Å; K638-E641 PolarHBondContact O-N 2.71Å; E641-R643 VanDerWaalsContact C-N 3.29Å; E641-R643 IonicContact OE2-NE 2.66Å
642	D	83.3	Confident	91.8	Very high	124 Å²	124	46.9 Å²	46.9	66%	0.663	25%	0.249	S	C	*	.			trans	-92.9	19.8	173.3	-72.7	-34.2	0	0	0	113.6	K515 P644	K515-D642 WeakPolarHBondContact CE-OD1 3.46Å; K515-D642 IonicContact NZ-OD1 3.78Å; K515-D642 PolarHBondContact NZ-OD1 3.26Å; D642-P644 WeakPolarHBondContact O-CD 3.36Å
643	R	89.6	Confident	91.1	Very high	49 Å²	49	48.5 Å²	48.5	19%	0.185	26%	0.259	C	S	.	.			trans	-59.7	125.2	169.9	-178.1	173	66.9	84.2	-1.6	110	Y517 F595 D596 E641 F645	Y517-R643 VanDerWaalsContact CE1-O 3.22Å; Y517-R643 WeakPolarHBondContact CE1-O 3.4Å; F595-R643 PolarHBondContact O-NH1 2.87Å; F595-R643 PolarHBondContact O-NH2 2.97Å; D596-R643 IonicContact OD1-CZ 2.84Å; D596-R643 IonicContact OD1-NH1 3.57Å; D596-R643 PolarHBondContact OD1-NH1 3.01Å; E641-R643 VanDerWaalsContact C-N 3.29Å; E641-R643 IonicContact OE2-NE 2.66Å; R643-F645 PolarHBondContact O-N 3.36Å
644	P	93.2	Very high	90.4	Very high	27 Å²	27	47.9 Å²	47.9	18%	0.175	26%	0.257	C	S	.	.			trans	-56	122	173.3	-25.8	35.2	0	0	0	111.4	Y517 V520 D642 F646 Y808	Y517-P644 HydrophobicContact CD1-CB 4.46Å; Y517-P644 HydrophobicContact CG-CB 4.22Å; V520-P644 HydrophobicContact CG2-CG 4.21Å; D642-P644 WeakPolarHBondContact O-CD 3.36Å; P644-F646 HydrophobicContact CB-CE2 3.85Å; P644-F646 HydrophobicContact CB-CZ 4.37Å; P644-Y808 HydrophobicContact CB-CD1 4.17Å; P644-Y808 HydrophobicContact CG-CD1 4.37Å
645	F	95.4	Very high	89.8	Confident	4 Å²	4	46 Å²	46	2%	0.018	25%	0.248	C	C	.	.			trans	-134.7	121	-177.6	177.4	-98.7	0	0	0	111.4	Y517 F595 V598 L632 A635 K636 P637 R643 N691	Y517-F645 HydrophobicContact CE2-CB 4.5Å; Y517-F645 WeakPolarHBondContact CE2-O 3.08Å; F595-F645 VanDerWaalsContact O-CD2 3.22Å; F595-F645 WeakPolarHBondContact O-CD2 3.35Å; F595-F645 WeakPolarHBondContact O-CE2 3.16Å; V598-F645 HydrophobicContact CB-CZ 4.42Å; V598-F645 HydrophobicContact CG2-CE2 3.71Å; V598-F645 HydrophobicContact CG2-CZ 3.63Å; L632-F645 HydrophobicContact CD1-CE1 3.91Å; L632-F645 HydrophobicContact CD1-CZ 3.88Å; A635-F645 HydrophobicContact CB-CE2 4.4Å; A635-F645 HydrophobicContact CB-CZ 4.4Å; A635-F645 VanDerWaalsContact O-CE2 3.22Å; A635-F645 WeakPolarHBondContact O-CE2 3.49Å; K636-F645 HydrophobicContact CB-CE1 4.36Å; K636-F645 HydrophobicContact CG-CD1 4.44Å; K636-F645 HydrophobicContact CG-CE1 3.74Å; K636-F645 HydrophobicContact CG-CZ 4.27Å; P637-F645 HydrophobicContact CG-CB 3.46Å; P637-F645 VanDerWaalsContact CG-CB 3.46Å; P637-F645 HydrophobicContact CG-CD1 4.46Å; P637-F645 HydrophobicContact CG-CD2 4.23Å; P637-F645 HydrophobicContact CG-CG 3.83Å; R643-F645 PolarHBondContact O-N 3.36Å; F645-N691 PolarHBondContact O-ND2 3.1Å
646	F	96.6	Very high	88.6	Confident	3 Å²	3	46.3 Å²	46.3	1%	0.013	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	149.3	-174.6	-60.9	-74.8	0	0	0	111.4	Y517 D596 L597 V598 P644 N691 L692 P693 L805 Y808 F809	Y517-F646 HydrophobicContact CD2-CE1 4.14Å; Y517-F646 HydrophobicContact CD2-CZ 4.2Å; D596-F646 PolarHBondContact O-N 3.44Å; L597-F646 CarbonylContact C-O 3.51Å; L597-F646 VanDerWaalsContact CA-O 3.28Å; L597-F646 WeakPolarHBondContact CA-O 3.35Å; L597-F646 HydrophobicContact CD1-CB 3.94Å; V598-F646 PolarHBondContact N-O 2.72Å; P644-F646 HydrophobicContact CB-CE2 3.85Å; P644-F646 HydrophobicContact CB-CZ 4.37Å; F646-N691 VanDerWaalsContact CA-OD1 3.28Å; F646-N691 WeakPolarHBondContact CA-OD1 3.31Å; F646-L692 HydrophobicContact CB-CD2 4.09Å; F646-P693 HydrophobicContact CE1-CG 3.81Å; F646-P693 HydrophobicContact CZ-CG 4.34Å; F646-L805 HydrophobicContact CB-CD2 4.24Å; F646-L805 HydrophobicContact CD1-CD2 4.05Å; F646-L805 HydrophobicContact CD2-CD2 3.61Å; F646-L805 HydrophobicContact CE1-CD2 4.32Å; F646-L805 HydrophobicContact CE2-CD2 3.9Å; F646-L805 HydrophobicContact CG-CD2 3.67Å; F646-L805 HydrophobicContact CZ-CD2 4.25Å; F646-Y808 HydrophobicContact CE2-CD1 4.07Å; F646-Y808 HydrophobicContact CE2-CD2 4.36Å; F646-Y808 AromaticContact CE2-CG 3.97Å; F646-Y808 HydrophobicContact CE2-CG 3.97Å; F646-Y808 AromaticContact CZ-CD1 3.81Å; F646-Y808 HydrophobicContact CZ-CD1 3.81Å; F646-Y808 HydrophobicContact CZ-CD2 4.11Å; F646-Y808 AromaticContact CZ-CE1 3.84Å; F646-Y808 HydrophobicContact CZ-CE1 3.84Å; F646-Y808 HydrophobicContact CZ-CE2 4.17Å; F646-Y808 AromaticContact CZ-CG 3.95Å; F646-Y808 HydrophobicContact CZ-CG 3.95Å; F646-F809 AromaticContact CD2-CE2 3.78Å; F646-F809 HydrophobicContact CD2-CE2 3.78Å; F646-F809 AromaticContact CD2-CZ 4Å; F646-F809 HydrophobicContact CD2-CZ 4Å; F646-F809 AromaticContact CE2-CE2 3.81Å; F646-F809 HydrophobicContact CE2-CE2 3.81Å; F646-F809 HydrophobicContact CE2-CZ 4.06Å
647	W	97.2	Very high	87.7	Confident	23 Å²	23	48 Å²	48	9%	0.087	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	154.7	172.9	66	-86.5	0	0	0	112.2	V598 F628 L632 F649 L667 W689 G690 N691	V598-W647 HydrophobicContact CB-CB 4.17Å; V598-W647 CarbonylContact O-C 3.42Å; V598-W647 WeakPolarHBondContact O-CA 3.45Å; V598-W647 WeakPolarHBondContact O-CB 3.27Å; F628-W647 HydrophobicContact CE1-CE3 4.23Å; F628-W647 HydrophobicContact CZ-CE3 4.25Å; L632-W647 HydrophobicContact CD1-CB 3.52Å; L632-W647 HydrophobicContact CD1-CD2 4.19Å; L632-W647 HydrophobicContact CD1-CG 3.6Å; L632-W647 HydrophobicContact CD2-CD2 3.69Å; L632-W647 HydrophobicContact CD2-CE3 3.79Å; L632-W647 HydrophobicContact CD2-CG 4.02Å; L632-W647 HydrophobicContact CD2-CZ3 4.35Å; L632-W647 HydrophobicContact CG-CG 4.47Å; W647-F649 HydrophobicContact CZ3-CB 4.35Å; W647-L667 HydrophobicContact CH2-CB 3.85Å; W647-L667 HydrophobicContact CH2-CD1 4.23Å; W647-L667 HydrophobicContact CH2-CD2 4.09Å; W647-L667 HydrophobicContact CH2-CG 4.28Å; W647-L667 HydrophobicContact CZ3-CB 4.39Å; W647-L667 HydrophobicContact CZ3-CD1 3.97Å; W647-L667 HydrophobicContact CZ3-CD2 3.94Å; W647-L667 HydrophobicContact CZ3-CG 4.33Å; W647-W689 HydrophobicContact CH2-CB 4.11Å; W647-W689 HydrophobicContact CZ3-CB 3.96Å; W647-G690 VanDerWaalsContact CH2-CA 3.45Å; W647-G690 VanDerWaalsContact CZ3-CA 3.49Å; W647-G690 VanDerWaalsContact O-CA 3.24Å; W647-G690 WeakPolarHBondContact O-CA 3.42Å; W647-N691 PolarHBondContact N-OD1 3.19Å; W647-N691 PolarHBondContact O-N 3.18Å
648	M	97.4	Very high	86.6	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	128.2	179	-176.1	-162.9	71.7	0	0	111.1	V598 I599 G600 F688 W689 L692 W793 I798 L801 F802	V598-M648 PolarHBondContact O-N 3.45Å; I599-M648 WeakPolarHBondContact CA-O 3.46Å; I599-M648 HydrophobicContact CB-CE 4.47Å; I599-M648 HydrophobicContact CG2-CB 4.19Å; I599-M648 HydrophobicContact CG2-CE 4.4Å; G600-M648 PolarHBondContact N-O 2.94Å; G600-M648 VanDerWaalsContact N-O 3.11Å; M648-F688 HydrophobicContact CE-CE1 4.5Å; M648-F688 HydrophobicContact CG-CD1 4.12Å; M648-F688 HydrophobicContact SD-CD1 3.8Å; M648-F688 HydrophobicContact SD-CE1 4.09Å; M648-W689 CarbonylContact C-O 3.56Å; M648-W689 WeakPolarHBondContact CA-O 3.45Å; M648-L692 HydrophobicContact CB-CD1 3.95Å; M648-L692 HydrophobicContact CB-CG 4.45Å; M648-L692 HydrophobicContact CG-CD1 4.05Å; M648-L692 HydrophobicContact SD-CD1 3.96Å; M648-W793 HydrophobicContact CE-CE3 4.37Å; M648-W793 HydrophobicContact CE-CH2 3.56Å; M648-W793 HydrophobicContact CE-CZ2 3.85Å; M648-W793 HydrophobicContact CE-CZ3 3.84Å; M648-I798 HydrophobicContact CE-CD1 4.11Å; M648-I798 HydrophobicContact SD-CD1 4.39Å; M648-L801 HydrophobicContact SD-CD1 3.81Å; M648-F802 HydrophobicContact CE-CE1 4.08Å; M648-F802 HydrophobicContact CE-CZ 4.31Å; M648-F802 HydrophobicContact SD-CE1 4Å
649	F	97.5	Very high	86.2	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	130.6	171.5	-177.5	-106.8	0	0	0	110.7	G600 S602 F625 F628 W647 N651 I663 L667 F688 W689	G600-F649 WeakPolarHBondContact O-CA 3.27Å; G600-F649 WeakPolarHBondContact O-CD2 3.47Å; S602-F649 WeakPolarHBondContact OG-CZ 3.33Å; F625-F649 HydrophobicContact CD2-CD1 4.35Å; F625-F649 AromaticContact CD2-CE1 3.77Å; F625-F649 HydrophobicContact CD2-CE1 3.77Å; F625-F649 HydrophobicContact CD2-CE2 4.1Å; F625-F649 AromaticContact CD2-CZ 3.63Å; F625-F649 HydrophobicContact CD2-CZ 3.63Å; F625-F649 HydrophobicContact CE2-CD1 4.37Å; F625-F649 HydrophobicContact CE2-CE1 4.17Å; F625-F649 HydrophobicContact CE2-CZ 4.42Å; F628-F649 HydrophobicContact CB-CD2 4.38Å; F628-F649 HydrophobicContact CB-CE2 4.38Å; F628-F649 HydrophobicContact CD1-CB 4.24Å; F628-F649 AromaticContact CD1-CD2 3.67Å; F628-F649 HydrophobicContact CD1-CD2 3.67Å; F628-F649 HydrophobicContact CD1-CE2 4.38Å; F628-F649 HydrophobicContact CD1-CG 4.15Å; F628-F649 HydrophobicContact CD2-CD2 4.02Å; F628-F649 HydrophobicContact CE1-CB 3.66Å; F628-F649 AromaticContact CE1-CD2 3.93Å; F628-F649 HydrophobicContact CE1-CD2 3.93Å; F628-F649 HydrophobicContact CE1-CG 4.08Å; F628-F649 HydrophobicContact CE2-CD2 4.26Å; F628-F649 AromaticContact CG-CD2 3.74Å; F628-F649 HydrophobicContact CG-CD2 3.74Å; F628-F649 HydrophobicContact CG-CE2 4.22Å; F628-F649 HydrophobicContact CZ-CB 3.87Å; F628-F649 HydrophobicContact CZ-CD2 4.22Å; F628-F649 HydrophobicContact CZ-CG 4.5Å; W647-F649 HydrophobicContact CZ3-CB 4.35Å; F649-N651 HydrophobicContact CE1-CB 4.16Å; F649-I663 HydrophobicContact CD1-CG2 4.31Å; F649-I663 HydrophobicContact CE1-CG2 4.22Å; F649-L667 HydrophobicContact CB-CD1 3.99Å; F649-L667 HydrophobicContact CD1-CD1 3.91Å; F649-L667 HydrophobicContact CG-CD1 4.2Å; F649-F688 WeakPolarHBondContact O-CA 3.4Å; F649-W689 HydrophobicContact CB-CB 4.38Å; F649-W689 HydrophobicContact CD1-CD2 4.37Å; F649-W689 AromaticContact CD1-CE3 3.75Å; F649-W689 HydrophobicContact CD1-CE3 3.75Å; F649-W689 HydrophobicContact CD1-CZ3 4.17Å; F649-W689 HydrophobicContact CE1-CE3 4.37Å; F649-W689 HydrophobicContact CE1-CZ3 4.34Å; F649-W689 PolarHBondContact N-O 2.71Å; F649-W689 PolarHBondContact O-N 2.79Å
650	E	96.6	Very high	86	Confident	15 Å²	15	38.6 Å²	38.6	7%	0.07	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	143	178.8	-179.8	-89.6	162.1	0	0	112	G600 G601 R686 Y687 F688 W793	G600-E650 PolarHBondContact O-N 2.71Å; G601-E650 WeakPolarHBondContact CA-O 3.41Å; E650-R686 HydrophobicContact CG-CB 4.42Å; E650-R686 HydrophobicContact CG-CG 4.48Å; E650-R686 WeakPolarHBondContact OE1-CD 3.15Å; E650-R686 VanDerWaalsContact OE1-CG 3.28Å; E650-R686 WeakPolarHBondContact OE1-CG 3.44Å; E650-R686 IonicContact OE1-NE 2.63Å; E650-R686 PolarHBondContact OE1-NE 3.33Å; E650-Y687 WeakPolarHBondContact CA-O 3.49Å; E650-F688 HydrophobicContact CB-CD1 3.97Å; E650-F688 HydrophobicContact CB-CE1 3.78Å; E650-F688 HydrophobicContact CB-CZ 4.48Å; E650-F688 HydrophobicContact CG-CD1 4.12Å; E650-F688 HydrophobicContact CG-CE1 3.59Å; E650-F688 HydrophobicContact CG-CE2 4.46Å; E650-F688 HydrophobicContact CG-CZ 3.79Å; E650-W793 HydrophobicContact CB-CZ2 4.22Å; E650-W793 VanDerWaalsContact CD-NE1 3.33Å; E650-W793 PolarHBondContact OE2-NE1 2.76Å
651	N	94.5	Very high	85.7	Confident	2 Å²	2	39.8 Å²	39.8	1%	0.011	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	177.3	165	-133.4	-80.8	0	0	0	114.4	S602 C604 L607 F649 M655 R686 Y687 W689	S602-N651 PolarHBondContact O-ND2 3.02Å; C604-N651 VanDerWaalsContact CB-OD1 3.25Å; C604-N651 WeakPolarHBondContact CB-OD1 3.27Å; L607-N651 WeakPolarHBondContact CD1-OD1 3.47Å; F649-N651 HydrophobicContact CE1-CB 4.16Å; N651-M655 HydrophobicContact CB-CE 3.62Å; N651-R686 WeakPolarHBondContact O-CD 3.4Å; N651-Y687 PolarHBondContact N-O 3.42Å; N651-Y687 PolarHBondContact O-N 2.91Å; N651-W689 HydrophobicContact CB-CZ3 4.15Å
652	V	88.4	Confident	85.3	Confident	11 Å²	11	37.6 Å²	37.6	7%	0.067	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	138.9	-175.4	-62.9	0	0	0	0	113.6	C604 A654 M655	C604-V652 HydrophobicContact CB-CB 4.37Å; C604-V652 HydrophobicContact CB-CG1 3.65Å; C604-V652 HydrophobicContact CB-CG2 3.86Å; V652-A654 VanDerWaalsContact C-N 3.25Å; V652-A654 PolarHBondContact O-N 3.46Å; V652-M655 HydrophobicContact CG2-CB 4.4Å; V652-M655 WeakPolarHBondContact O-CE 3.3Å; V652-M655 WeakPolarHBondContact O-CG 3.3Å
653	V	80.6	Confident	85.4	Confident	38 Å²	38	31.7 Å²	31.7	23%	0.23	17%	0.168	C	C	.	.	S	Bend	trans	-63	-33.7	172.2	170.6	0	0	0	0	112.1	M655 M673 A685 R686 Y687	V653-M655 PolarHBondContact O-N 3.06Å; V653-M673 HydrophobicContact CG1-SD 4.19Å; V653-M673 HydrophobicContact CG2-CG 3.74Å; V653-M673 HydrophobicContact CG2-SD 4.15Å; V653-A685 HydrophobicContact CB-CB 4.28Å; V653-A685 HydrophobicContact CG2-CB 3.98Å; V653-R686 VanDerWaalsContact CG2-C 3.44Å; V653-Y687 HydrophobicContact CB-CD2 4.47Å; V653-Y687 HydrophobicContact CB-CE2 4.27Å; V653-Y687 HydrophobicContact CG1-CE1 4.45Å; V653-Y687 HydrophobicContact CG1-CE2 4.26Å; V653-Y687 HydrophobicContact CG2-CD1 3.94Å; V653-Y687 HydrophobicContact CG2-CD2 4.21Å; V653-Y687 HydrophobicContact CG2-CE1 4Å; V653-Y687 HydrophobicContact CG2-CE2 4.29Å; V653-Y687 HydrophobicContact CG2-CG 4.03Å
654	A	78.8	Confident	85	Confident	36 Å²	36	29.5 Å²	29.5	30%	0.298	16%	0.161	S	C	.	.	S	Bend	trans	-79.8	50	178.6	0	0	0	0	0	112.3	S608 I609 V610 V652	S608-A654 CarbonylContact C-O 3.59Å; S608-A654 WeakPolarHBondContact CA-O 3.32Å; S608-A654 PolarHBondContact OG-O 2.93Å; I609-A654 HydrophobicContact CG1-CB 4.28Å; I609-A654 PolarHBondContact N-O 2.81Å; V610-A654 HydrophobicContact CG1-CB 4.25Å; V652-A654 VanDerWaalsContact C-N 3.25Å; V652-A654 PolarHBondContact O-N 3.46Å
655	M	80.9	Confident	84.3	Confident	10 Å²	10	35 Å²	35	5%	0.049	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-102.3	169.7	170.8	63	166.9	58.4	0	0	111.3	L607 N651 V652 V653 K660 I663 Y687 W689	L607-M655 HydrophobicContact CB-CB 4.46Å; L607-M655 WeakPolarHBondContact O-CA 3.19Å; N651-M655 HydrophobicContact CB-CE 3.62Å; V652-M655 HydrophobicContact CG2-CB 4.4Å; V652-M655 WeakPolarHBondContact O-CE 3.3Å; V652-M655 WeakPolarHBondContact O-CG 3.3Å; V653-M655 PolarHBondContact O-N 3.06Å; M655-K660 HydrophobicContact CG-CB 4.12Å; M655-K660 WeakPolarHBondContact SD-CA 3.45Å; M655-K660 HydrophobicContact SD-CB 3.57Å; M655-K660 VanDerWaalsContact SD-CB 3.57Å; M655-K660 HydrophobicContact SD-CG 4.07Å; M655-I663 HydrophobicContact CE-CD1 3.91Å; M655-I663 HydrophobicContact SD-CD1 4.14Å; M655-Y687 HydrophobicContact CG-CD2 4.38Å; M655-Y687 HydrophobicContact CG-CE2 4.34Å; M655-Y687 HydrophobicContact SD-CD2 4.32Å; M655-W689 HydrophobicContact CE-CH2 3.8Å; M655-W689 HydrophobicContact CE-CZ3 4.4Å; M655-W689 HydrophobicContact SD-CH2 4.04Å
656	G	70.5	Confident	83.8	Confident	14 Å²	14	38.3 Å²	38.3	14%	0.144	19%	0.192	C	C	.	.			trans	-68.6	147.9	174.5	0	0	0	0	0	112.1	N658 D659 K660	G656-N658 VanDerWaalsContact C-N 3.29Å; G656-N658 PolarHBondContact O-N 3.3Å; G656-D659 WeakPolarHBondContact CA-OD2 3.33Å; G656-D659 PolarHBondContact N-OD2 3.4Å; G656-D659 PolarHBondContact O-N 3.35Å; G656-K660 PolarHBondContact O-N 3.04Å
657	V	72.4	Confident	83.5	Confident	121 Å²	121	38.5 Å²	38.5	73%	0.733	19%	0.193	S	C	*	.	H	α-helix	trans	-65.2	-34.5	-178.8	-178.8	0	0	0	0	111.6	R661	V657-R661 WeakPolarHBondContact O-CB 3.14Å; V657-R661 PolarHBondContact O-N 2.63Å; V657-R661 VanDerWaalsContact O-N 3.08Å
658	N	70.4	Confident	82.8	Confident	96 Å²	96	42.7 Å²	42.7	51%	0.513	21%	0.214	S	C	.	.	H	α-helix	trans	-66	-51.4	171.5	-71.3	-30.3	0	0	0	110.7	G656 K660 R661 D662	G656-N658 VanDerWaalsContact C-N 3.29Å; G656-N658 PolarHBondContact O-N 3.3Å; N658-K660 VanDerWaalsContact C-N 3.28Å; N658-K660 PolarHBondContact O-N 3.42Å; N658-R661 PolarHBondContact O-N 3.48Å; N658-R661 VanDerWaalsContact O-N 3.12Å; N658-R661 PolarHBondContact OD1-NH1 3.45Å; N658-R661 PolarHBondContact OD1-NH2 3.01Å; N658-R661 VanDerWaalsContact OD1-NH2 3.08Å; N658-D662 WeakPolarHBondContact O-CB 3.28Å; N658-D662 PolarHBondContact O-N 3.22Å; N658-D662 VanDerWaalsContact O-OD2 3.12Å
659	D	77.9	Confident	82	Confident	30 Å²	30	43.2 Å²	43.2	16%	0.16	22%	0.217	C	C	.	.	H	α-helix	trans	-54.9	-43.9	178.3	-47.7	-90.2	0	0	0	111.3	L607 L617 G656 D662 I663	L607-D659 HydrophobicContact CD2-CB 4.44Å; L617-D659 HydrophobicContact CB-CB 4.25Å; L617-D659 WeakPolarHBondContact CB-OD1 3.33Å; L617-D659 PolarHBondContact N-OD1 3.46Å; G656-D659 WeakPolarHBondContact CA-OD2 3.33Å; G656-D659 PolarHBondContact N-OD2 3.4Å; G656-D659 PolarHBondContact O-N 3.35Å; D659-D662 PolarHBondContact O-N 3.06Å; D659-I663 WeakPolarHBondContact O-CB 3.49Å; D659-I663 WeakPolarHBondContact O-CD1 3.47Å; D659-I663 WeakPolarHBondContact O-CG1 3.39Å; D659-I663 PolarHBondContact O-N 3.34Å
660	K	79.6	Confident	81	Confident	61 Å²	61	45.7 Å²	45.7	27%	0.265	23%	0.23	S	C	.	.	H	α-helix	trans	-57.8	-53.3	174.6	-171.4	-158	174.2	-166.9	0	112.2	M655 G656 N658 D662 I663 S664 P671 Y687 W689	M655-K660 HydrophobicContact CG-CB 4.12Å; M655-K660 WeakPolarHBondContact SD-CA 3.45Å; M655-K660 HydrophobicContact SD-CB 3.57Å; M655-K660 VanDerWaalsContact SD-CB 3.57Å; M655-K660 HydrophobicContact SD-CG 4.07Å; G656-K660 PolarHBondContact O-N 3.04Å; N658-K660 VanDerWaalsContact C-N 3.28Å; N658-K660 PolarHBondContact O-N 3.42Å; K660-D662 VanDerWaalsContact C-N 3.3Å; K660-D662 PolarHBondContact O-N 2.8Å; K660-I663 PolarHBondContact O-N 2.98Å; K660-S664 PolarHBondContact O-N 3.14Å; K660-S664 PolarHBondContact O-OG 3.13Å; K660-P671 HydrophobicContact CD-CG 4.35Å; K660-P671 HydrophobicContact CG-CG 4.23Å; K660-Y687 HydrophobicContact CD-CD2 4.49Å; K660-Y687 HydrophobicContact CD-CE2 3.76Å; K660-Y687 HydrophobicContact CG-CD2 4.3Å; K660-Y687 HydrophobicContact CG-CE2 3.97Å; K660-W689 HydrophobicContact CG-CZ2 4.19Å
661	R	73.8	Confident	80.4	Confident	100 Å²	100	45.6 Å²	45.6	38%	0.377	23%	0.231	S	C	.	.	H	α-helix	trans	-63	-39.3	-178.1	-179.8	-163.2	64.1	-139.4	-11.9	111.2	V657 N658 S664 R665	V657-R661 WeakPolarHBondContact O-CB 3.14Å; V657-R661 PolarHBondContact O-N 2.63Å; V657-R661 VanDerWaalsContact O-N 3.08Å; N658-R661 PolarHBondContact O-N 3.48Å; N658-R661 VanDerWaalsContact O-N 3.12Å; N658-R661 PolarHBondContact OD1-NH1 3.45Å; N658-R661 PolarHBondContact OD1-NH2 3.01Å; N658-R661 VanDerWaalsContact OD1-NH2 3.08Å; R661-S664 WeakPolarHBondContact O-CB 3.4Å; R661-S664 PolarHBondContact O-N 2.99Å; R661-R665 WeakPolarHBondContact O-CD 3.48Å; R661-R665 VanDerWaalsContact O-CG 3.32Å; R661-R665 WeakPolarHBondContact O-CG 3.4Å; R661-R665 PolarHBondContact O-N 3.11Å
662	D	76.1	Confident	79.9	Confident	26 Å²	26	46.2 Å²	46.2	14%	0.139	24%	0.235	C	C	.	.	H	α-helix	trans	-77.5	-33.9	-175.8	-58.6	-28.5	0	0	0	110.3	L617 N658 D659 K660 R665 F666	L617-D662 HydrophobicContact CD2-CB 4.25Å; N658-D662 WeakPolarHBondContact O-CB 3.28Å; N658-D662 PolarHBondContact O-N 3.22Å; N658-D662 VanDerWaalsContact O-OD2 3.12Å; D659-D662 PolarHBondContact O-N 3.06Å; K660-D662 VanDerWaalsContact C-N 3.3Å; K660-D662 PolarHBondContact O-N 2.8Å; D662-R665 PolarHBondContact O-N 3.29Å; D662-R665 WeakPolarHBondContact OD1-CD 3.46Å; D662-R665 IonicContact OD1-CZ 3.52Å; D662-R665 IonicContact OD1-NE 3.29Å; D662-R665 IonicContact OD1-NH1 2.73Å; D662-R665 PolarHBondContact OD1-NH1 2.92Å; D662-F666 VanDerWaalsContact O-CD2 3.25Å; D662-F666 WeakPolarHBondContact O-CD2 3.25Å; D662-F666 PolarHBondContact O-N 3.48Å; D662-F666 VanDerWaalsContact O-N 3.09Å
663	I	85.1	Confident	79.7	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-57.9	-48.4	163.1	-69.4	165.5	0	0	0	111.1	L617 F625 F649 M655 D659 K660 R665 F666 L667 W689	L617-I663 HydrophobicContact CD1-CD1 3.98Å; L617-I663 HydrophobicContact CD1-CG1 3.81Å; L617-I663 HydrophobicContact CD2-CG1 4Å; F625-I663 HydrophobicContact CD1-CG1 4.14Å; F625-I663 HydrophobicContact CD2-CG1 4.23Å; F625-I663 HydrophobicContact CD2-CG2 4.36Å; F625-I663 HydrophobicContact CE1-CG1 4.05Å; F625-I663 HydrophobicContact CE2-CB 4.37Å; F625-I663 HydrophobicContact CE2-CG1 4.17Å; F625-I663 HydrophobicContact CE2-CG2 3.73Å; F625-I663 HydrophobicContact CG-CG1 4.22Å; F625-I663 HydrophobicContact CZ-CB 4.16Å; F625-I663 HydrophobicContact CZ-CG1 4.07Å; F625-I663 HydrophobicContact CZ-CG2 3.91Å; F649-I663 HydrophobicContact CD1-CG2 4.31Å; F649-I663 HydrophobicContact CE1-CG2 4.22Å; M655-I663 HydrophobicContact CE-CD1 3.91Å; M655-I663 HydrophobicContact SD-CD1 4.14Å; D659-I663 WeakPolarHBondContact O-CB 3.49Å; D659-I663 WeakPolarHBondContact O-CD1 3.47Å; D659-I663 WeakPolarHBondContact O-CG1 3.39Å; D659-I663 PolarHBondContact O-N 3.34Å; K660-I663 PolarHBondContact O-N 2.98Å; I663-R665 PolarHBondContact O-N 3.29Å; I663-F666 PolarHBondContact O-N 3Å; I663-L667 HydrophobicContact CG2-CD1 3.72Å; I663-L667 HydrophobicContact CG2-CG 4.31Å; I663-L667 WeakPolarHBondContact O-CB 3.18Å; I663-L667 WeakPolarHBondContact O-CG 3.3Å; I663-L667 PolarHBondContact O-N 2.81Å; I663-W689 HydrophobicContact CB-CZ2 3.96Å; I663-W689 HydrophobicContact CD1-CH2 4.44Å; I663-W689 HydrophobicContact CG2-CD2 3.89Å; I663-W689 VanDerWaalsContact CG2-CE2 3.41Å; I663-W689 HydrophobicContact CG2-CE3 4.32Å; I663-W689 HydrophobicContact CG2-CG 4.5Å; I663-W689 HydrophobicContact CG2-CH2 3.95Å; I663-W689 HydrophobicContact CG2-CZ2 3.45Å; I663-W689 VanDerWaalsContact CG2-CZ2 3.45Å; I663-W689 HydrophobicContact CG2-CZ3 4.34Å
664	S	81.4	Confident	79.9	Confident	3 Å²	3	49 Å²	49	2%	0.021	25%	0.246	C	C	.	.	H	α-helix	trans	-57.1	-37	176.6	-64.5	0	0	0	0	113.2	K660 R661 L667 E668 C669 N670 P671 W689	K660-S664 PolarHBondContact O-N 3.14Å; K660-S664 PolarHBondContact O-OG 3.13Å; R661-S664 WeakPolarHBondContact O-CB 3.4Å; R661-S664 PolarHBondContact O-N 2.99Å; S664-L667 CarbonylContact O-C 3.52Å; S664-L667 PolarHBondContact O-N 3.16Å; S664-E668 PolarHBondContact O-N 3.36Å; S664-C669 VanDerWaalsContact CA-O 3.24Å; S664-C669 WeakPolarHBondContact CA-O 3.3Å; S664-C669 WeakPolarHBondContact CB-O 3.46Å; S664-C669 PolarHBondContact O-N 2.91Å; S664-C669 PolarHBondContact OG-O 3.01Å; S664-N670 PolarHBondContact OG-OD1 3.31Å; S664-P671 WeakPolarHBondContact OG-CD 3.35Å; S664-W689 PolarHBondContact OG-NE1 2.83Å
665	R	79.9	Confident	80.2	Confident	142 Å²	142	48.7 Å²	48.7	54%	0.536	24%	0.24	S	C	.	.	H	α-helix	trans	-68.3	-45.1	178.3	-74.4	159.5	164	-172.8	-13.4	112.3	R661 D662 I663 L667 E668	R661-R665 WeakPolarHBondContact O-CD 3.48Å; R661-R665 VanDerWaalsContact O-CG 3.32Å; R661-R665 WeakPolarHBondContact O-CG 3.4Å; R661-R665 PolarHBondContact O-N 3.11Å; D662-R665 PolarHBondContact O-N 3.29Å; D662-R665 WeakPolarHBondContact OD1-CD 3.46Å; D662-R665 IonicContact OD1-CZ 3.52Å; D662-R665 IonicContact OD1-NE 3.29Å; D662-R665 IonicContact OD1-NH1 2.73Å; D662-R665 PolarHBondContact OD1-NH1 2.92Å; I663-R665 PolarHBondContact O-N 3.29Å; R665-L667 VanDerWaalsContact C-N 3.3Å; R665-L667 PolarHBondContact O-N 2.98Å; R665-E668 PolarHBondContact O-N 3.38Å
666	F	84.6	Confident	80.6	Confident	74 Å²	74	48.3 Å²	48.3	33%	0.325	24%	0.238	S	C	.	.	H	α-helix	trans	-68.2	-29	175.6	-82.3	-74.2	0	0	0	112.7	F625 F626 Y629 D662 I663	F625-F666 HydrophobicContact CE1-CB 3.76Å; F625-F666 HydrophobicContact CE1-CD2 4.05Å; F625-F666 HydrophobicContact CE1-CG 4.07Å; F625-F666 HydrophobicContact CZ-CB 3.68Å; F625-F666 HydrophobicContact CZ-CG 4.48Å; F626-F666 AromaticContact CE1-CD2 3.87Å; F626-F666 HydrophobicContact CE1-CD2 3.87Å; F626-F666 HydrophobicContact CE1-CE1 4.4Å; F626-F666 AromaticContact CE1-CE2 3.61Å; F626-F666 HydrophobicContact CE1-CE2 3.61Å; F626-F666 HydrophobicContact CE1-CG 4.41Å; F626-F666 AromaticContact CE1-CZ 3.9Å; F626-F666 HydrophobicContact CE1-CZ 3.9Å; F626-F666 HydrophobicContact CZ-CE2 4.37Å; Y629-F666 HydrophobicContact CD1-CD1 4.09Å; Y629-F666 HydrophobicContact CD2-CB 4.37Å; Y629-F666 VanDerWaalsContact CD2-O 3.24Å; Y629-F666 WeakPolarHBondContact CD2-O 3.43Å; Y629-F666 AromaticContact CE1-CD1 3.9Å; Y629-F666 HydrophobicContact CE1-CD1 3.9Å; Y629-F666 HydrophobicContact CE1-CE1 4.45Å; Y629-F666 WeakPolarHBondContact CE2-O 3.46Å; D662-F666 VanDerWaalsContact O-CD2 3.25Å; D662-F666 WeakPolarHBondContact O-CD2 3.25Å; D662-F666 PolarHBondContact O-N 3.48Å; D662-F666 VanDerWaalsContact O-N 3.09Å; I663-F666 PolarHBondContact O-N 3Å
667	L	89.1	Confident	81.2	Confident	6 Å²	6	49.5 Å²	49.5	3%	0.031	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	1.2	179.1	-67.6	-176.3	0	0	0	114.3	F625 F628 Y629 L632 W647 F649 I663 S664 R665 C669 W689	F625-L667 HydrophobicContact CE2-CD1 3.91Å; F625-L667 HydrophobicContact CE2-CD2 4.07Å; F625-L667 HydrophobicContact CE2-CG 3.87Å; F625-L667 HydrophobicContact CZ-CD1 4.41Å; F625-L667 HydrophobicContact CZ-CD2 4.28Å; F625-L667 HydrophobicContact CZ-CG 3.94Å; F628-L667 HydrophobicContact CD1-CD2 4.44Å; F628-L667 HydrophobicContact CE1-CD2 4.2Å; Y629-L667 HydrophobicContact CD2-CD2 4.48Å; L632-L667 HydrophobicContact CD2-CD2 4.19Å; W647-L667 HydrophobicContact CH2-CB 3.85Å; W647-L667 HydrophobicContact CH2-CD1 4.23Å; W647-L667 HydrophobicContact CH2-CD2 4.09Å; W647-L667 HydrophobicContact CH2-CG 4.28Å; W647-L667 HydrophobicContact CZ3-CB 4.39Å; W647-L667 HydrophobicContact CZ3-CD1 3.97Å; W647-L667 HydrophobicContact CZ3-CD2 3.94Å; W647-L667 HydrophobicContact CZ3-CG 4.33Å; F649-L667 HydrophobicContact CB-CD1 3.99Å; F649-L667 HydrophobicContact CD1-CD1 3.91Å; F649-L667 HydrophobicContact CG-CD1 4.2Å; I663-L667 HydrophobicContact CG2-CD1 3.72Å; I663-L667 HydrophobicContact CG2-CG 4.31Å; I663-L667 WeakPolarHBondContact O-CB 3.18Å; I663-L667 WeakPolarHBondContact O-CG 3.3Å; I663-L667 PolarHBondContact O-N 2.81Å; S664-L667 CarbonylContact O-C 3.52Å; S664-L667 PolarHBondContact O-N 3.16Å; R665-L667 VanDerWaalsContact C-N 3.3Å; R665-L667 PolarHBondContact O-N 2.98Å; L667-C669 PolarHBondContact O-N 3.06Å; L667-W689 HydrophobicContact CD1-CB 3.49Å; L667-W689 VanDerWaalsContact CD1-CB 3.49Å; L667-W689 HydrophobicContact CD1-CD2 4.1Å; L667-W689 HydrophobicContact CD1-CG 3.55Å
668	E	83.3	Confident	81.6	Confident	112 Å²	112	47.7 Å²	47.7	52%	0.523	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	21	178.4	-62.6	158.2	162.6	0	0	113.9	K636 S664 R665	K636-E668 IonicContact NZ-OE2 3.19Å; S664-E668 PolarHBondContact O-N 3.36Å; R665-E668 PolarHBondContact O-N 3.38Å
669	C	80.7	Confident	82.1	Confident	10 Å²	10	43.4 Å²	43.4	7%	0.068	20%	0.202	C	C	.	.	S	Bend	trans	-150.7	157.1	-179	92.9	0	0	0	0	112.7	S664 L667 W689	S664-C669 VanDerWaalsContact CA-O 3.24Å; S664-C669 WeakPolarHBondContact CA-O 3.3Å; S664-C669 WeakPolarHBondContact CB-O 3.46Å; S664-C669 PolarHBondContact O-N 2.91Å; S664-C669 PolarHBondContact OG-O 3.01Å; L667-C669 PolarHBondContact O-N 3.06Å; C669-W689 VanDerWaalsContact O-CD1 3.25Å
670	N	77.4	Confident	82.6	Confident	52 Å²	52	42.2 Å²	42.2	28%	0.278	20%	0.196	S	C	.	.	P	Polyproline II helix	trans	-84.6	150.4	172.1	-84.9	-33.7	0	0	0	112.2	S664	S664-N670 PolarHBondContact OG-OD1 3.31Å
671	P	83	Confident	83	Confident	14 Å²	14	39.3 Å²	39.3	9%	0.091	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-83	139.8	178	28.1	-30.6	0	0	0	113.1	K660 S664 Y687 F688 W689	K660-P671 HydrophobicContact CD-CG 4.35Å; K660-P671 HydrophobicContact CG-CG 4.23Å; S664-P671 WeakPolarHBondContact OG-CD 3.35Å; P671-Y687 HydrophobicContact CB-CD1 3.91Å; P671-Y687 HydrophobicContact CB-CG 3.94Å; P671-Y687 HydrophobicContact CG-CD1 4.08Å; P671-Y687 HydrophobicContact CG-CE1 4.5Å; P671-Y687 HydrophobicContact CG-CG 4.18Å; P671-F688 CarbonylContact C-O 3.59Å; P671-F688 VanDerWaalsContact CA-O 3.3Å; P671-F688 WeakPolarHBondContact CA-O 3.32Å; P671-W689 HydrophobicContact CB-CD2 3.65Å; P671-W689 VanDerWaalsContact CB-CE2 3.45Å; P671-W689 HydrophobicContact CB-CE3 4.05Å; P671-W689 HydrophobicContact CB-CG 4.14Å; P671-W689 HydrophobicContact CB-CH2 4.09Å; P671-W689 HydrophobicContact CB-CZ2 3.7Å; P671-W689 HydrophobicContact CB-CZ3 4.26Å; P671-W689 HydrophobicContact CG-CD2 4.4Å; P671-W689 HydrophobicContact CG-CH2 4.31Å; P671-W689 HydrophobicContact CG-CZ2 3.64Å
672	V	83.3	Confident	83.8	Confident	14 Å²	14	34.7 Å²	34.7	9%	0.085	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	131.8	168.6	176.5	0	0	0	0	109.2	I674 Y687 F688 M695 F702	V672-I674 HydrophobicContact CG1-CD1 4.39Å; V672-I674 HydrophobicContact CG1-CG1 4.03Å; V672-Y687 WeakPolarHBondContact O-CA 3.4Å; V672-F688 PolarHBondContact N-O 2.86Å; V672-F688 PolarHBondContact O-N 2.78Å; V672-M695 HydrophobicContact CB-CG 4.39Å; V672-M695 HydrophobicContact CG2-CG 4.09Å; V672-M695 WeakPolarHBondContact CG2-O 3.41Å; V672-F702 HydrophobicContact CG1-CD2 4.35Å; V672-F702 HydrophobicContact CG1-CE2 3.61Å; V672-F702 HydrophobicContact CG1-CZ 4.33Å
673	M	84.9	Confident	84.4	Confident	105 Å²	105	37 Å²	37	52%	0.517	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	125.3	175.2	-164.8	-174.7	72.6	0	0	111.3	V653 R686 Y687 R705	V653-M673 HydrophobicContact CG1-SD 4.19Å; V653-M673 HydrophobicContact CG2-CG 3.74Å; V653-M673 HydrophobicContact CG2-SD 4.15Å; M673-R686 WeakPolarHBondContact CA-O 3.47Å; M673-Y687 HydrophobicContact CB-CD1 4.1Å; M673-Y687 HydrophobicContact CB-CE1 3.99Å; M673-Y687 HydrophobicContact CG-CD1 4.24Å; M673-Y687 HydrophobicContact CG-CE1 4.05Å; M673-R705 PolarHBondContact O-NH2 3.04Å
674	I	85.8	Confident	84.6	Confident	4 Å²	4	37.6 Å²	37.6	2%	0.021	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	124.2	177.7	-49.7	-172	0	0	0	109	V672 A685 R686 F688 V797 L801	V672-I674 HydrophobicContact CG1-CD1 4.39Å; V672-I674 HydrophobicContact CG1-CG1 4.03Å; I674-A685 CarbonylContact O-C 3.11Å; I674-A685 WeakPolarHBondContact O-CA 3.5Å; I674-R686 PolarHBondContact N-O 3.3Å; I674-R686 PolarHBondContact O-N 3.09Å; I674-F688 HydrophobicContact CB-CD2 4.02Å; I674-F688 HydrophobicContact CB-CE2 3.88Å; I674-F688 HydrophobicContact CD1-CD2 3.65Å; I674-F688 HydrophobicContact CD1-CE2 3.95Å; I674-F688 HydrophobicContact CD1-CG 4.29Å; I674-F688 HydrophobicContact CG1-CD2 3.74Å; I674-F688 HydrophobicContact CG1-CE2 4.08Å; I674-V797 HydrophobicContact CB-CG1 4.44Å; I674-V797 HydrophobicContact CD1-CG1 4.2Å; I674-V797 HydrophobicContact CG2-CG1 3.76Å; I674-V797 HydrophobicContact CG2-CG2 4.09Å; I674-L801 HydrophobicContact CD1-CD1 4.07Å; I674-L801 HydrophobicContact CD1-CD2 3.97Å; I674-L801 HydrophobicContact CD1-CG 4.28Å
675	D	84.1	Confident	84.9	Confident	29 Å²	29	38.8 Å²	38.8	16%	0.155	19%	0.188	C	C	.	.			trans	-105.3	121.7	167.5	-171	-19.5	0	0	0	109.1	I677 E678 H683 R684 A685	D675-I677 HydrophobicContact CB-CG2 4.01Å; D675-I677 VanDerWaalsContact CG-CG2 3.45Å; D675-I677 PolarHBondContact O-N 3.39Å; D675-I677 WeakPolarHBondContact OD1-CG2 3.33Å; D675-I677 PolarHBondContact OD1-N 3.4Å; D675-E678 PolarHBondContact O-N 3.37Å; D675-H683 WeakPolarHBondContact OD1-CA 3.31Å; D675-H683 IonicContact OD1-ND1 2.7Å; D675-H683 IonicContact OD2-CE1 3.47Å; D675-H683 IonicContact OD2-CG 2.84Å; D675-H683 IonicContact OD2-ND1 2.75Å; D675-H683 PolarHBondContact OD2-ND1 3.44Å; D675-R684 PolarHBondContact OD1-N 2.85Å; D675-A685 HydrophobicContact CB-CB 4.15Å; D675-A685 PolarHBondContact OD1-N 2.99Å
676	A	88.4	Confident	85.5	Confident	2 Å²	2	33.5 Å²	33.5	2%	0.017	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-61.2	-11.2	179.2	0	0	0	0	0	114	E678 V679 S680 A682 R684 V797	A676-E678 PolarHBondContact O-N 3.23Å; A676-E678 VanDerWaalsContact O-N 3.12Å; A676-V679 CarbonylContact O-C 3.55Å; A676-V679 PolarHBondContact O-N 2.91Å; A676-S680 WeakPolarHBondContact CB-OG 3.25Å; A676-S680 WeakPolarHBondContact O-CB 3.22Å; A676-S680 PolarHBondContact O-N 2.78Å; A676-S680 PolarHBondContact O-OG 3.29Å; A676-A682 CarbonylContact C-O 3.59Å; A676-R684 HydrophobicContact CB-CB 3.8Å; A676-V797 HydrophobicContact CB-CG2 3.85Å
677	I	84.8	Confident	85.8	Confident	39 Å²	39	31.7 Å²	31.7	20%	0.2	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-56.4	-27.6	177.2	-170.3	165.8	0	0	0	113.5	D675 V679 A682 H683 K729	D675-I677 HydrophobicContact CB-CG2 4.01Å; D675-I677 VanDerWaalsContact CG-CG2 3.45Å; D675-I677 PolarHBondContact O-N 3.39Å; D675-I677 WeakPolarHBondContact OD1-CG2 3.33Å; D675-I677 PolarHBondContact OD1-N 3.4Å; I677-V679 VanDerWaalsContact C-N 3.26Å; I677-V679 PolarHBondContact O-N 3.33Å; I677-A682 VanDerWaalsContact CA-O 3.3Å; I677-A682 WeakPolarHBondContact CA-O 3.44Å; I677-A682 PolarHBondContact N-O 3.47Å; I677-A682 VanDerWaalsContact N-O 3.1Å; I677-H683 WeakPolarHBondContact CD1-CE1 3.36Å; I677-H683 WeakPolarHBondContact CD1-NE2 3.24Å; I677-K729 HydrophobicContact CD1-CB 4.27Å; I677-K729 HydrophobicContact CD1-CD 4.29Å; I677-K729 HydrophobicContact CD1-CG 3.99Å; I677-K729 HydrophobicContact CG1-CD 3.88Å; I677-K729 HydrophobicContact CG1-CG 4.15Å; I677-K729 PolarHBondContact O-NZ 2.92Å
678	E	79.8	Confident	86	Confident	82 Å²	82	31.7 Å²	31.7	38%	0.383	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-67.9	-26.8	177.7	-66.8	173.7	-161.3	0	0	112.6	D675 A676 R705	D675-E678 PolarHBondContact O-N 3.37Å; A676-E678 PolarHBondContact O-N 3.23Å; A676-E678 VanDerWaalsContact O-N 3.12Å; E678-R705 HydrophobicContact CB-CB 4.44Å; E678-R705 IonicContact OE1-NH1 3.41Å; E678-R705 PolarHBondContact OE1-NH1 2.9Å; E678-R705 VanDerWaalsContact OE1-NH1 3.11Å; E678-R705 WeakPolarHBondContact OE2-CB 3.35Å; E678-R705 VanDerWaalsContact OE2-CD 3.27Å; E678-R705 WeakPolarHBondContact OE2-CD 3.4Å; E678-R705 WeakPolarHBondContact OE2-CG 3.27Å; E678-R705 IonicContact OE2-CZ 3.28Å; E678-R705 IonicContact OE2-NE 2.63Å; E678-R705 IonicContact OE2-NH1 3.54Å; E678-R705 PolarHBondContact OE2-NH1 3.2Å
679	V	81.3	Confident	86.4	Confident	7 Å²	7	26.4 Å²	26.4	4%	0.042	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.2	12.4	-172.9	-61.6	0	0	0	0	113.6	A676 I677 R705 P796 V797	A676-V679 CarbonylContact O-C 3.55Å; A676-V679 PolarHBondContact O-N 2.91Å; I677-V679 VanDerWaalsContact C-N 3.26Å; I677-V679 PolarHBondContact O-N 3.33Å; V679-R705 HydrophobicContact CG1-CB 4.18Å; V679-P796 HydrophobicContact CB-CB 4.13Å; V679-P796 HydrophobicContact CB-CG 4.41Å; V679-P796 HydrophobicContact CG2-CB 3.96Å; V679-P796 HydrophobicContact CG2-CG 3.98Å; V679-P796 WeakPolarHBondContact O-CG 3.48Å; V679-V797 HydrophobicContact CG2-CG2 3.82Å
680	S	87.9	Confident	86.9	Confident	5 Å²	5	26 Å²	26	4%	0.035	13%	0.132	C	C	.	.	S	Bend	trans	-160.1	166.7	-179.5	74.5	0	0	0	0	112.5	A676 A682 K712 K729	A676-S680 WeakPolarHBondContact CB-OG 3.25Å; A676-S680 WeakPolarHBondContact O-CB 3.22Å; A676-S680 PolarHBondContact O-N 2.78Å; A676-S680 PolarHBondContact O-OG 3.29Å; S680-A682 PolarHBondContact O-N 3.31Å; S680-A682 PolarHBondContact OG-N 3.02Å; S680-A682 PolarHBondContact OG-O 3.43Å; S680-K712 CarbonylContact C-O 3.53Å; S680-K712 WeakPolarHBondContact CA-O 3.43Å; S680-K729 PolarHBondContact O-NZ 2.78Å
681	A	89.1	Confident	87.5	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.125	C	C	.	.	S	Bend	trans	-71.3	0.2	178.1	0	0	0	0	0	115.6	K712 L713 K729 V730 I767	A681-K712 PolarHBondContact N-O 2.86Å; A681-K712 VanDerWaalsContact N-O 3.08Å; A681-L713 WeakPolarHBondContact CA-O 3.47Å; A681-K729 CarbonylContact O-C 3.56Å; A681-K729 VanDerWaalsContact O-CA 3.3Å; A681-K729 WeakPolarHBondContact O-CA 3.5Å; A681-V730 PolarHBondContact O-N 2.87Å; A681-I767 HydrophobicContact CB-CG1 4.3Å
682	A	89.7	Confident	87.8	Confident	2 Å²	2	24.1 Å²	24.1	2%	0.017	12%	0.121	C	C	.	.	B	Isolated β-bridge	trans	-126.2	142.6	-176.3	0	0	0	0	0	114	A676 I677 S680 R684 V730 I767	A676-A682 CarbonylContact C-O 3.59Å; I677-A682 VanDerWaalsContact CA-O 3.3Å; I677-A682 WeakPolarHBondContact CA-O 3.44Å; I677-A682 PolarHBondContact N-O 3.47Å; I677-A682 VanDerWaalsContact N-O 3.1Å; S680-A682 PolarHBondContact O-N 3.31Å; S680-A682 PolarHBondContact OG-N 3.02Å; S680-A682 PolarHBondContact OG-O 3.43Å; A682-R684 PolarHBondContact O-N 2.97Å; A682-V730 WeakPolarHBondContact CA-O 3.42Å; A682-V730 HydrophobicContact CB-CG2 3.59Å; A682-I767 HydrophobicContact CB-CG2 3.55Å
683	H	88.1	Confident	87.9	Confident	76 Å²	76	24.8 Å²	24.8	35%	0.352	13%	0.126	S	C	.	.			trans	-61.8	128.7	157.6	-83.2	-72.9	0	0	0	110.2	D675 I677 V730 T732	D675-H683 WeakPolarHBondContact OD1-CA 3.31Å; D675-H683 IonicContact OD1-ND1 2.7Å; D675-H683 IonicContact OD2-CE1 3.47Å; D675-H683 IonicContact OD2-CG 2.84Å; D675-H683 IonicContact OD2-ND1 2.75Å; D675-H683 PolarHBondContact OD2-ND1 3.44Å; I677-H683 WeakPolarHBondContact CD1-CE1 3.36Å; I677-H683 WeakPolarHBondContact CD1-NE2 3.24Å; H683-V730 PolarHBondContact N-O 2.92Å; H683-T732 WeakPolarHBondContact O-CA 3.28Å; H683-T732 PolarHBondContact O-N 3.29Å; H683-T732 PolarHBondContact O-OG1 3.12Å
684	R	90.1	Very high	87.2	Confident	11 Å²	11	20.9 Å²	20.9	4%	0.042	11%	0.113	C	C	.	.			trans	-156.2	58.8	173.1	-152.4	159.1	-172.7	-118.7	-7.2	112.3	D675 A676 A682 R686 T732 G790 S792 W793	D675-R684 PolarHBondContact OD1-N 2.85Å; A676-R684 HydrophobicContact CB-CB 3.8Å; A682-R684 PolarHBondContact O-N 2.97Å; R684-R686 PolarHBondContact O-N 3.07Å; R684-T732 HydrophobicContact CG-CG2 4.36Å; R684-G790 PolarHBondContact NH2-O 3.4Å; R684-S792 PolarHBondContact NH1-O 2.89Å; R684-S792 PolarHBondContact NH2-O 2.99Å; R684-W793 VanDerWaalsContact NH1-C 3.27Å; R684-W793 PolarHBondContact NH1-O 3.21Å
685	A	87.4	Confident	86.7	Confident	29 Å²	29	20.9 Å²	20.9	24%	0.24	11%	0.113	C	C	.	.			trans	-52.4	127.4	172.4	0	0	0	0	0	112.6	V653 I674 D675	V653-A685 HydrophobicContact CB-CB 4.28Å; V653-A685 HydrophobicContact CG2-CB 3.98Å; I674-A685 CarbonylContact O-C 3.11Å; I674-A685 WeakPolarHBondContact O-CA 3.5Å; D675-A685 HydrophobicContact CB-CB 4.15Å; D675-A685 PolarHBondContact OD1-N 2.99Å
686	R	92.3	Very high	85.6	Confident	31 Å²	31	21.6 Å²	21.6	12%	0.117	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	154.7	178.9	-69.9	-54.2	-166.2	-94.2	1.8	111.9	E650 N651 V653 M673 I674 R684 F688	E650-R686 HydrophobicContact CG-CB 4.42Å; E650-R686 HydrophobicContact CG-CG 4.48Å; E650-R686 WeakPolarHBondContact OE1-CD 3.15Å; E650-R686 VanDerWaalsContact OE1-CG 3.28Å; E650-R686 WeakPolarHBondContact OE1-CG 3.44Å; E650-R686 IonicContact OE1-NE 2.63Å; E650-R686 PolarHBondContact OE1-NE 3.33Å; N651-R686 WeakPolarHBondContact O-CD 3.4Å; V653-R686 VanDerWaalsContact CG2-C 3.44Å; M673-R686 WeakPolarHBondContact CA-O 3.47Å; I674-R686 PolarHBondContact N-O 3.3Å; I674-R686 PolarHBondContact O-N 3.09Å; R684-R686 PolarHBondContact O-N 3.07Å; R686-F688 HydrophobicContact CB-CD2 4.22Å; R686-F688 HydrophobicContact CB-CE2 3.58Å; R686-F688 HydrophobicContact CB-CZ 4.17Å
687	Y	90.7	Very high	83.6	Confident	36 Å²	36	23.4 Å²	23.4	14%	0.141	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	135.1	169.1	-76	-41.1	0	0	0	109.4	E650 N651 V653 M655 K660 P671 V672 M673 W689	E650-Y687 WeakPolarHBondContact CA-O 3.49Å; N651-Y687 PolarHBondContact N-O 3.42Å; N651-Y687 PolarHBondContact O-N 2.91Å; V653-Y687 HydrophobicContact CB-CD2 4.47Å; V653-Y687 HydrophobicContact CB-CE2 4.27Å; V653-Y687 HydrophobicContact CG1-CE1 4.45Å; V653-Y687 HydrophobicContact CG1-CE2 4.26Å; V653-Y687 HydrophobicContact CG2-CD1 3.94Å; V653-Y687 HydrophobicContact CG2-CD2 4.21Å; V653-Y687 HydrophobicContact CG2-CE1 4Å; V653-Y687 HydrophobicContact CG2-CE2 4.29Å; V653-Y687 HydrophobicContact CG2-CG 4.03Å; M655-Y687 HydrophobicContact CG-CD2 4.38Å; M655-Y687 HydrophobicContact CG-CE2 4.34Å; M655-Y687 HydrophobicContact SD-CD2 4.32Å; K660-Y687 HydrophobicContact CD-CD2 4.49Å; K660-Y687 HydrophobicContact CD-CE2 3.76Å; K660-Y687 HydrophobicContact CG-CD2 4.3Å; K660-Y687 HydrophobicContact CG-CE2 3.97Å; P671-Y687 HydrophobicContact CB-CD1 3.91Å; P671-Y687 HydrophobicContact CB-CG 3.94Å; P671-Y687 HydrophobicContact CG-CD1 4.08Å; P671-Y687 HydrophobicContact CG-CE1 4.5Å; P671-Y687 HydrophobicContact CG-CG 4.18Å; V672-Y687 WeakPolarHBondContact O-CA 3.4Å; M673-Y687 HydrophobicContact CB-CD1 4.1Å; M673-Y687 HydrophobicContact CB-CE1 3.99Å; M673-Y687 HydrophobicContact CG-CD1 4.24Å; M673-Y687 HydrophobicContact CG-CE1 4.05Å; Y687-W689 VanDerWaalsContact CB-CZ3 3.43Å; Y687-W689 HydrophobicContact CD2-CH2 4.13Å; Y687-W689 HydrophobicContact CG-CH2 4.23Å; Y687-W689 HydrophobicContact CG-CZ3 4.47Å
688	F	93.9	Very high	81.4	Confident	6 Å²	6	28.1 Å²	28.1	3%	0.026	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	125.2	176	-68.3	-92.6	0	0	0	109.4	M648 F649 E650 P671 V672 I674 R686 M695 V797 I798 L801	M648-F688 HydrophobicContact CE-CE1 4.5Å; M648-F688 HydrophobicContact CG-CD1 4.12Å; M648-F688 HydrophobicContact SD-CD1 3.8Å; M648-F688 HydrophobicContact SD-CE1 4.09Å; F649-F688 WeakPolarHBondContact O-CA 3.4Å; E650-F688 HydrophobicContact CB-CD1 3.97Å; E650-F688 HydrophobicContact CB-CE1 3.78Å; E650-F688 HydrophobicContact CB-CZ 4.48Å; E650-F688 HydrophobicContact CG-CD1 4.12Å; E650-F688 HydrophobicContact CG-CE1 3.59Å; E650-F688 HydrophobicContact CG-CE2 4.46Å; E650-F688 HydrophobicContact CG-CZ 3.79Å; P671-F688 CarbonylContact C-O 3.59Å; P671-F688 VanDerWaalsContact CA-O 3.3Å; P671-F688 WeakPolarHBondContact CA-O 3.32Å; V672-F688 PolarHBondContact N-O 2.86Å; V672-F688 PolarHBondContact O-N 2.78Å; I674-F688 HydrophobicContact CB-CD2 4.02Å; I674-F688 HydrophobicContact CB-CE2 3.88Å; I674-F688 HydrophobicContact CD1-CD2 3.65Å; I674-F688 HydrophobicContact CD1-CE2 3.95Å; I674-F688 HydrophobicContact CD1-CG 4.29Å; I674-F688 HydrophobicContact CG1-CD2 3.74Å; I674-F688 HydrophobicContact CG1-CE2 4.08Å; R686-F688 HydrophobicContact CB-CD2 4.22Å; R686-F688 HydrophobicContact CB-CE2 3.58Å; R686-F688 HydrophobicContact CB-CZ 4.17Å; F688-M695 HydrophobicContact CB-SD 4.08Å; F688-V797 HydrophobicContact CE2-CG1 3.94Å; F688-V797 HydrophobicContact CZ-CG1 3.73Å; F688-I798 HydrophobicContact CE1-CD1 3.76Å; F688-I798 HydrophobicContact CZ-CD1 4.16Å; F688-L801 HydrophobicContact CD1-CD1 3.63Å; F688-L801 HydrophobicContact CE1-CD1 3.72Å; F688-L801 HydrophobicContact CG-CD1 4.04Å; F688-L801 HydrophobicContact CZ-CD1 4.21Å
689	W	91.8	Very high	79.2	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	150.2	170	-67.2	-105.4	0	0	0	108.8	W647 M648 F649 N651 M655 K660 I663 S664 L667 C669 P671 Y687	W647-W689 HydrophobicContact CH2-CB 4.11Å; W647-W689 HydrophobicContact CZ3-CB 3.96Å; M648-W689 CarbonylContact C-O 3.56Å; M648-W689 WeakPolarHBondContact CA-O 3.45Å; F649-W689 HydrophobicContact CB-CB 4.38Å; F649-W689 HydrophobicContact CD1-CD2 4.37Å; F649-W689 AromaticContact CD1-CE3 3.75Å; F649-W689 HydrophobicContact CD1-CE3 3.75Å; F649-W689 HydrophobicContact CD1-CZ3 4.17Å; F649-W689 HydrophobicContact CE1-CE3 4.37Å; F649-W689 HydrophobicContact CE1-CZ3 4.34Å; F649-W689 PolarHBondContact N-O 2.71Å; F649-W689 PolarHBondContact O-N 2.79Å; N651-W689 HydrophobicContact CB-CZ3 4.15Å; M655-W689 HydrophobicContact CE-CH2 3.8Å; M655-W689 HydrophobicContact CE-CZ3 4.4Å; M655-W689 HydrophobicContact SD-CH2 4.04Å; K660-W689 HydrophobicContact CG-CZ2 4.19Å; I663-W689 HydrophobicContact CB-CZ2 3.96Å; I663-W689 HydrophobicContact CD1-CH2 4.44Å; I663-W689 HydrophobicContact CG2-CD2 3.89Å; I663-W689 VanDerWaalsContact CG2-CE2 3.41Å; I663-W689 HydrophobicContact CG2-CE3 4.32Å; I663-W689 HydrophobicContact CG2-CG 4.5Å; I663-W689 HydrophobicContact CG2-CH2 3.95Å; I663-W689 HydrophobicContact CG2-CZ2 3.45Å; I663-W689 VanDerWaalsContact CG2-CZ2 3.45Å; I663-W689 HydrophobicContact CG2-CZ3 4.34Å; S664-W689 PolarHBondContact OG-NE1 2.83Å; L667-W689 HydrophobicContact CD1-CB 3.49Å; L667-W689 VanDerWaalsContact CD1-CB 3.49Å; L667-W689 HydrophobicContact CD1-CD2 4.1Å; L667-W689 HydrophobicContact CD1-CG 3.55Å; C669-W689 VanDerWaalsContact O-CD1 3.25Å; P671-W689 HydrophobicContact CB-CD2 3.65Å; P671-W689 VanDerWaalsContact CB-CE2 3.45Å; P671-W689 HydrophobicContact CB-CE3 4.05Å; P671-W689 HydrophobicContact CB-CG 4.14Å; P671-W689 HydrophobicContact CB-CH2 4.09Å; P671-W689 HydrophobicContact CB-CZ2 3.7Å; P671-W689 HydrophobicContact CB-CZ3 4.26Å; P671-W689 HydrophobicContact CG-CD2 4.4Å; P671-W689 HydrophobicContact CG-CH2 4.31Å; P671-W689 HydrophobicContact CG-CZ2 3.64Å; Y687-W689 VanDerWaalsContact CB-CZ3 3.43Å; Y687-W689 HydrophobicContact CD2-CH2 4.13Å; Y687-W689 HydrophobicContact CG-CH2 4.23Å; Y687-W689 HydrophobicContact CG-CZ3 4.47Å
690	G	92	Very high	77	Confident	1 Å²	1	29.2 Å²	29.2	1%	0.01	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	152.9	-175.4	176.8	0	0	0	0	0	114.7	W647 M695 N696	W647-G690 VanDerWaalsContact CH2-CA 3.45Å; W647-G690 VanDerWaalsContact CZ3-CA 3.49Å; W647-G690 VanDerWaalsContact O-CA 3.24Å; W647-G690 WeakPolarHBondContact O-CA 3.42Å; G690-M695 VanDerWaalsContact C-CE 3.48Å; G690-M695 VanDerWaalsContact CA-CE 3.43Å; G690-N696 PolarHBondContact O-ND2 3.29Å
691	N	90.1	Very high	74.5	Confident	24 Å²	24	30.5 Å²	30.5	13%	0.128	18%	0.177	C	C	.	.			trans	-117.7	21.2	178.8	72.4	-26.3	0	0	0	113.4	P514 F645 F646 W647	P514-N691 HydrophobicContact CB-CB 4.21Å; F645-N691 PolarHBondContact O-ND2 3.1Å; F646-N691 VanDerWaalsContact CA-OD1 3.28Å; F646-N691 WeakPolarHBondContact CA-OD1 3.31Å; W647-N691 PolarHBondContact N-OD1 3.19Å; W647-N691 PolarHBondContact O-N 3.18Å
692	L	89.5	Confident	72.4	Confident	4 Å²	4	33 Å²	33	2%	0.021	19%	0.188	C	C	.	.			trans	-59.4	132.3	175.2	-67.9	177	0	0	0	111	L597 F646 M648 G694 M695 L801 F802 L805	L597-L692 HydrophobicContact CD1-CD2 4.46Å; F646-L692 HydrophobicContact CB-CD2 4.09Å; M648-L692 HydrophobicContact CB-CD1 3.95Å; M648-L692 HydrophobicContact CB-CG 4.45Å; M648-L692 HydrophobicContact CG-CD1 4.05Å; M648-L692 HydrophobicContact SD-CD1 3.96Å; L692-G694 PolarHBondContact O-N 3.26Å; L692-M695 HydrophobicContact CB-CB 4.09Å; L692-M695 HydrophobicContact CB-CE 4.22Å; L692-M695 HydrophobicContact CB-SD 4.24Å; L692-M695 HydrophobicContact CD1-SD 4.16Å; L692-M695 VanDerWaalsContact O-CB 3.27Å; L692-M695 WeakPolarHBondContact O-CB 3.31Å; L692-M695 PolarHBondContact O-N 2.98Å; L692-M695 VanDerWaalsContact O-N 3.13Å; L692-L801 HydrophobicContact CD1-CB 3.99Å; L692-F802 HydrophobicContact CD1-CD1 4.21Å; L692-F802 HydrophobicContact CD1-CE1 4.35Å; L692-L805 HydrophobicContact CD2-CD1 4.06Å; L692-L805 HydrophobicContact CD2-CD2 3.88Å; L692-L805 HydrophobicContact CD2-CG 4.22Å
693	P	83.4	Confident	70.5	Confident	28 Å²	28	33.3 Å²	33.3	18%	0.182	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	129.3	-176.1	-25	33.9	0	0	0	112.7	F646 M695 P804 Y808	F646-P693 HydrophobicContact CE1-CG 3.81Å; F646-P693 HydrophobicContact CZ-CG 4.34Å; P693-M695 VanDerWaalsContact C-N 3.26Å; P693-M695 PolarHBondContact O-N 3.48Å; P693-P804 HydrophobicContact CB-CB 4Å; P693-P804 HydrophobicContact CG-CB 4.38Å; P693-P804 WeakPolarHBondContact O-CG 3.23Å; P693-Y808 HydrophobicContact CG-CE2 3.91Å
694	G	71.9	Confident	68.6	Low	23 Å²	23	32.2 Å²	32.2	24%	0.237	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.6	8	180	0	0	0	0	0	115.6	L692	L692-G694 PolarHBondContact O-N 3.26Å
695	M	74.1	Confident	66.9	Low	4 Å²	4	33.2 Å²	33.2	2%	0.02	19%	0.192	C	C	.	.			trans	-76.3	-45	175.2	-175.2	168.4	69.4	0	0	112.3	V672 F688 G690 L692 P693 F702 L801	V672-M695 HydrophobicContact CB-CG 4.39Å; V672-M695 HydrophobicContact CG2-CG 4.09Å; V672-M695 WeakPolarHBondContact CG2-O 3.41Å; F688-M695 HydrophobicContact CB-SD 4.08Å; G690-M695 VanDerWaalsContact C-CE 3.48Å; G690-M695 VanDerWaalsContact CA-CE 3.43Å; L692-M695 HydrophobicContact CB-CB 4.09Å; L692-M695 HydrophobicContact CB-CE 4.22Å; L692-M695 HydrophobicContact CB-SD 4.24Å; L692-M695 HydrophobicContact CD1-SD 4.16Å; L692-M695 VanDerWaalsContact O-CB 3.27Å; L692-M695 WeakPolarHBondContact O-CB 3.31Å; L692-M695 PolarHBondContact O-N 2.98Å; L692-M695 VanDerWaalsContact O-N 3.13Å; P693-M695 VanDerWaalsContact C-N 3.26Å; P693-M695 PolarHBondContact O-N 3.48Å; M695-F702 WeakPolarHBondContact O-CE2 3.25Å; M695-L801 HydrophobicContact CB-CD2 4.31Å; M695-L801 HydrophobicContact CG-CD2 3.78Å; M695-L801 HydrophobicContact SD-CD1 4.45Å; M695-L801 HydrophobicContact SD-CD2 3.72Å
696	N	60.7	Low	65.3	Low	44 Å²	44	33.6 Å²	33.6	24%	0.235	19%	0.192	C	C	.	.			trans	-86.6	136.9	-169.2	-61.6	-12.8	0	0	0	112.3	G690	G690-N696 PolarHBondContact O-ND2 3.29Å
697	S	47.3	Very low	63.6	Low	40 Å²	40	33.1 Å²	33.1	28%	0.28	20%	0.195	S	C	.	.			trans	-163.4	126.4	169.9	66.7	0	0	0	0	112.4	F702	S697-F702 VanDerWaalsContact OG-CB 3.23Å; S697-F702 WeakPolarHBondContact OG-CB 3.38Å; S697-F702 WeakPolarHBondContact OG-CD2 3.44Å
698	E	39	Very low	62.3	Low	138 Å²	138	32.9 Å²	32.9	65%	0.645	20%	0.199	S	C	*	.	S	Bend	trans	-117.6	1.6	154.9	-66.3	-158.3	155.5	0	0	112.7
699	T	33.3	Very low	60.8	Low	55 Å²	55	36.1 Å²	36.1	34%	0.337	23%	0.234	S	C	.	.	S	Bend	trans	-143.8	152.4	164.4	-16.3	0	0	0	0	109.9	N505 K507	N505-T699 WeakPolarHBondContact O-CB 3.37Å; K507-T699 HydrophobicContact CB-CG2 4.38Å; K507-T699 PolarHBondContact N-OG1 3.31Å
700	A	34.1	Very low	59.6	Low	56 Å²	56	41.8 Å²	41.8	46%	0.463	26%	0.261	S	S	.	.	S	Bend	trans	25.3	113.9	175.5	0	0	0	0	0	117.7	N505	N505-A700 HydrophobicContact CB-CB 3.95Å
701	C	35.2	Very low	58.9	Low	32 Å²	32	43 Å²	43	22%	0.216	27%	0.268	C	S	.	.			trans	83.3	47.9	165.4	-44.9	0	0	0	0	116.6	L416 R703	L416-C701 HydrophobicContact CD1-CB 3.6Å; L416-C701 WeakPolarHBondContact CD1-SG 3.19Å; L416-C701 HydrophobicContact CD2-CB 3.9Å; L416-C701 HydrophobicContact CG-CB 4.32Å; C701-R703 PolarHBondContact O-N 3.3Å
702	F	45.3	Very low	58.6	Low	53 Å²	53	45.9 Å²	45.9	23%	0.232	28%	0.279	C	S	.	.			trans	-53.6	129.9	146.3	-170.3	-99.6	0	0	0	108.1	V672 M695 S697 P704 R705	V672-F702 HydrophobicContact CG1-CD2 4.35Å; V672-F702 HydrophobicContact CG1-CE2 3.61Å; V672-F702 HydrophobicContact CG1-CZ 4.33Å; M695-F702 WeakPolarHBondContact O-CE2 3.25Å; S697-F702 VanDerWaalsContact OG-CB 3.23Å; S697-F702 WeakPolarHBondContact OG-CB 3.38Å; S697-F702 WeakPolarHBondContact OG-CD2 3.44Å; F702-P704 WeakPolarHBondContact O-CD 3.43Å; F702-P704 VanDerWaalsContact O-N 3.17Å; F702-R705 HydrophobicContact CE1-CG 3.95Å; F702-R705 VanDerWaalsContact CE1-CZ 3.41Å; F702-R705 VanDerWaalsContact CE1-NE 3.33Å
703	R	51	Low	58.3	Low	9 Å²	9	48 Å²	48	3%	0.034	29%	0.29	C	S	.	.			trans	-60.6	114.8	177.8	173.2	164.3	-171.8	-139.9	-2.7	110.7	L416 E417 Y420 M421 C701 R705 H800	L416-R703 WeakPolarHBondContact O-CG 3.37Å; E417-R703 PolarHBondContact O-NE 2.88Å; E417-R703 PolarHBondContact O-NH2 3.17Å; Y420-R703 PolarHBondContact O-NH1 3.41Å; Y420-R703 PolarHBondContact O-NH2 3.04Å; Y420-R703 VanDerWaalsContact O-NH2 3.07Å; M421-R703 VanDerWaalsContact N-NH2 3.1Å; C701-R703 PolarHBondContact O-N 3.3Å; R703-R705 PolarHBondContact O-N 2.89Å; R703-H800 WeakPolarHBondContact CD-NE2 3.43Å
704	P	46.9	Very low	58.7	Low	52 Å²	52	51.3 Å²	51.3	34%	0.338	30%	0.303	S	S	.	.			trans	-61	135.6	178.7	-21.6	32.7	0	0	0	111.1	E417 F702 C706	E417-P704 HydrophobicContact CB-CB 4.08Å; E417-P704 HydrophobicContact CB-CG 4.05Å; E417-P704 HydrophobicContact CG-CB 3.81Å; E417-P704 HydrophobicContact CG-CG 4.34Å; F702-P704 WeakPolarHBondContact O-CD 3.43Å; F702-P704 VanDerWaalsContact O-N 3.17Å; P704-C706 PolarHBondContact O-N 3.1Å; P704-C706 VanDerWaalsContact O-N 3.11Å
705	R	54.9	Low	59.7	Low	33 Å²	33	50.2 Å²	50.2	13%	0.125	29%	0.292	C	S	.	.			trans	-86.4	85.9	-174	-51.7	-169.4	-164.6	99.2	2.9	110.1	M673 E678 V679 F702 R703 A707	M673-R705 PolarHBondContact O-NH2 3.04Å; E678-R705 HydrophobicContact CB-CB 4.44Å; E678-R705 IonicContact OE1-NH1 3.41Å; E678-R705 PolarHBondContact OE1-NH1 2.9Å; E678-R705 VanDerWaalsContact OE1-NH1 3.11Å; E678-R705 WeakPolarHBondContact OE2-CB 3.35Å; E678-R705 VanDerWaalsContact OE2-CD 3.27Å; E678-R705 WeakPolarHBondContact OE2-CD 3.4Å; E678-R705 WeakPolarHBondContact OE2-CG 3.27Å; E678-R705 IonicContact OE2-CZ 3.28Å; E678-R705 IonicContact OE2-NE 2.63Å; E678-R705 IonicContact OE2-NH1 3.54Å; E678-R705 PolarHBondContact OE2-NH1 3.2Å; V679-R705 HydrophobicContact CG1-CB 4.18Å; F702-R705 HydrophobicContact CE1-CG 3.95Å; F702-R705 VanDerWaalsContact CE1-CZ 3.41Å; F702-R705 VanDerWaalsContact CE1-NE 3.33Å; R703-R705 PolarHBondContact O-N 2.89Å; R705-A707 PolarHBondContact O-N 2.65Å
706	C	54.5	Low	60.6	Low	37 Å²	37	53.5 Å²	53.5	25%	0.25	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-63.8	131.2	159.8	-91.9	0	0	0	0	110.2	E417 M421 P704	E417-C706 HydrophobicContact CG-CB 4.36Å; E417-C706 PolarHBondContact OE1-SG 3.21Å; M421-C706 HydrophobicContact CE-CB 3.43Å; M421-C706 VanDerWaalsContact CE-CB 3.43Å; M421-C706 HydrophobicContact SD-CB 3.54Å; M421-C706 VanDerWaalsContact SD-CB 3.54Å; P704-C706 PolarHBondContact O-N 3.1Å; P704-C706 VanDerWaalsContact O-N 3.11Å
707	A	56.7	Low	62.1	Low	20 Å²	20	54.3 Å²	54.3	17%	0.165	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-72	137.1	158.4	0	0	0	0	0	108.7	R705 D711 L713	R705-A707 PolarHBondContact O-N 2.65Å; A707-D711 HydrophobicContact CB-CB 4.15Å; A707-L713 HydrophobicContact CB-CD1 3.94Å; A707-L713 HydrophobicContact CB-CD2 3.83Å; A707-L713 HydrophobicContact CB-CG 4.17Å
708	S	63.2	Low	64.3	Low	32 Å²	32	52.4 Å²	52.4	22%	0.224	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-69.7	168.6	170.2	69.6	0	0	0	0	110.7	M710 D711	S708-M710 PolarHBondContact O-N 3.27Å; S708-M710 VanDerWaalsContact O-N 3.11Å; S708-M710 PolarHBondContact OG-N 2.81Å; S708-D711 WeakPolarHBondContact CB-OD2 3.23Å; S708-D711 PolarHBondContact N-OD2 3.14Å; S708-D711 PolarHBondContact O-N 2.91Å; S708-D711 PolarHBondContact OG-N 3.4Å; S708-D711 PolarHBondContact OG-OD2 3.33Å
709	G	61.4	Low	67	Low	74 Å²	74	46.5 Å²	46.5	76%	0.763	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-14.8	172.9	0	0	0	0	0	114.3
710	M	67.6	Low	69.8	Low	119 Å²	119	45.7 Å²	45.7	59%	0.586	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-17.7	-178.4	-65.3	-67	-86.6	0	0	113.4	D424 S708 K712	D424-M710 WeakPolarHBondContact OD2-CE 2.94Å; S708-M710 PolarHBondContact O-N 3.27Å; S708-M710 VanDerWaalsContact O-N 3.11Å; S708-M710 PolarHBondContact OG-N 2.81Å; M710-K712 PolarHBondContact O-N 2.84Å
711	D	77.8	Confident	72.5	Confident	26 Å²	26	52.2 Å²	52.2	14%	0.139	28%	0.283	C	S	.	.			trans	-80.3	114.7	-172.7	-65.7	-42.7	0	0	0	111.3	A707 S708 L713 P796 R799	A707-D711 HydrophobicContact CB-CB 4.15Å; S708-D711 WeakPolarHBondContact CB-OD2 3.23Å; S708-D711 PolarHBondContact N-OD2 3.14Å; S708-D711 PolarHBondContact O-N 2.91Å; S708-D711 PolarHBondContact OG-N 3.4Å; S708-D711 PolarHBondContact OG-OD2 3.33Å; D711-L713 PolarHBondContact O-N 3.37Å; D711-L713 VanDerWaalsContact O-N 3.13Å; D711-P796 WeakPolarHBondContact OD1-CB 3.29Å; D711-R799 IonicContact OD1-NH1 2.77Å; D711-R799 PolarHBondContact OD1-NH1 3.34Å; D711-R799 VanDerWaalsContact OD1-NH1 3.15Å
712	K	82.3	Confident	75.1	Confident	85 Å²	85	53.6 Å²	53.6	37%	0.37	30%	0.303	S	S	.	.			trans	-71.6	105.1	-179	-69	164.2	178.5	-94.8	0	109.9	S680 A681 M710 E717 C718 R766	S680-K712 CarbonylContact C-O 3.53Å; S680-K712 WeakPolarHBondContact CA-O 3.43Å; A681-K712 PolarHBondContact N-O 2.86Å; A681-K712 VanDerWaalsContact N-O 3.08Å; M710-K712 PolarHBondContact O-N 2.84Å; K712-E717 HydrophobicContact CB-CB 4.13Å; K712-E717 WeakPolarHBondContact CD-O 3.42Å; K712-E717 HydrophobicContact CG-CB 4.16Å; K712-E717 PolarHBondContact NZ-O 2.93Å; K712-C718 VanDerWaalsContact CB-SG 3.6Å; K712-R766 HydrophobicContact CD-CB 4.13Å
713	L	84.8	Confident	77.5	Confident	48 Å²	48	51.3 Å²	51.3	25%	0.251	29%	0.293	S	S	.	.			trans	-89.1	-33.5	-174	-69.6	-173.3	0	0	0	112.4	A681 A707 D711 E717 K729	A681-L713 WeakPolarHBondContact CA-O 3.47Å; A707-L713 HydrophobicContact CB-CD1 3.94Å; A707-L713 HydrophobicContact CB-CD2 3.83Å; A707-L713 HydrophobicContact CB-CG 4.17Å; D711-L713 PolarHBondContact O-N 3.37Å; D711-L713 VanDerWaalsContact O-N 3.13Å; L713-E717 PolarHBondContact N-OE2 2.83Å; L713-K729 VanDerWaalsContact O-CD 3.27Å; L713-K729 WeakPolarHBondContact O-CD 3.5Å; L713-K729 WeakPolarHBondContact O-CE 3.19Å; L713-K729 PolarHBondContact O-NZ 2.75Å
714	E	90.4	Very high	79.6	Confident	97 Å²	97	54.6 Å²	54.6	45%	0.453	31%	0.314	S	S	.	.	S	Bend	trans	-100.4	145.6	176.6	-63.2	-164.3	176.4	0	0	111.8	Q716 E717 G728	E714-Q716 PolarHBondContact O-N 2.87Å; E714-E717 HydrophobicContact CB-CG 4.27Å; E714-E717 PolarHBondContact N-OE2 2.85Å; E714-E717 WeakPolarHBondContact O-CB 3.35Å; E714-E717 PolarHBondContact O-N 2.87Å; E714-G728 WeakPolarHBondContact CA-O 3.22Å
715	L	92.5	Very high	81.8	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-54.4	-38.2	176.6	-178.2	63.1	0	0	0	111.4	E717 C718 L719 A725 F727 G728 V730 P749 L759 I767	L715-E717 PolarHBondContact O-N 2.97Å; L715-C718 WeakPolarHBondContact O-CA 3.45Å; L715-C718 VanDerWaalsContact O-CB 3.31Å; L715-C718 WeakPolarHBondContact O-CB 3.36Å; L715-C718 PolarHBondContact O-N 3.49Å; L715-L719 HydrophobicContact CD1-CD2 4.12Å; L715-L719 HydrophobicContact CG-CD2 4.12Å; L715-L719 HydrophobicContact CG-CG 4.47Å; L715-L719 WeakPolarHBondContact O-CG 3.32Å; L715-L719 PolarHBondContact O-N 3.11Å; L715-A725 HydrophobicContact CB-CB 4.05Å; L715-A725 HydrophobicContact CD2-CB 3.9Å; L715-A725 HydrophobicContact CG-CB 4Å; L715-F727 VanDerWaalsContact CB-O 3.27Å; L715-F727 WeakPolarHBondContact CB-O 3.43Å; L715-F727 WeakPolarHBondContact CD2-O 3.1Å; L715-G728 PolarHBondContact N-O 2.85Å; L715-V730 HydrophobicContact CD1-CG1 3.86Å; L715-V730 HydrophobicContact CD2-CG1 3.7Å; L715-V730 HydrophobicContact CG-CG1 4.32Å; L715-P749 HydrophobicContact CD2-CB 4.07Å; L715-L759 HydrophobicContact CD1-CD2 4.09Å; L715-I767 HydrophobicContact CD1-CD1 3.59Å; L715-I767 HydrophobicContact CD1-CG1 4.15Å
716	Q	94.6	Very high	83.6	Confident	74 Å²	74	54.9 Å²	54.9	35%	0.346	32%	0.315	S	S	.	.	H	α-helix	trans	-62.3	-27.4	179.4	-169.9	59	77.6	0	0	113.2	E714 C718 R723 A725	E714-Q716 PolarHBondContact O-N 2.87Å; Q716-C718 PolarHBondContact O-N 2.76Å; Q716-R723 PolarHBondContact NE2-O 3.3Å; Q716-A725 HydrophobicContact CB-CB 3.98Å
717	E	91.6	Very high	85.3	Confident	60 Å²	60	56.3 Å²	56.3	28%	0.28	32%	0.317	S	S	.	.	H	α-helix	trans	-75.1	-14.4	174.1	-59.3	177.1	128.3	0	0	112.2	R112 K712 L713 E714 L715	R112-E717 IonicContact CZ-OE1 2.73Å; R112-E717 IonicContact NH2-OE1 3.7Å; R112-E717 PolarHBondContact NH2-OE1 3.11Å; K712-E717 HydrophobicContact CB-CB 4.13Å; K712-E717 WeakPolarHBondContact CD-O 3.42Å; K712-E717 HydrophobicContact CG-CB 4.16Å; K712-E717 PolarHBondContact NZ-O 2.93Å; L713-E717 PolarHBondContact N-OE2 2.83Å; E714-E717 HydrophobicContact CB-CG 4.27Å; E714-E717 PolarHBondContact N-OE2 2.85Å; E714-E717 WeakPolarHBondContact O-CB 3.35Å; E714-E717 PolarHBondContact O-N 2.87Å; L715-E717 PolarHBondContact O-N 2.97Å
718	C	93.2	Very high	86.8	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-95.2	-24.4	178.1	-58.3	0	0	0	0	113.8	K712 L715 Q716 R766 I767	K712-C718 VanDerWaalsContact CB-SG 3.6Å; L715-C718 WeakPolarHBondContact O-CA 3.45Å; L715-C718 VanDerWaalsContact O-CB 3.31Å; L715-C718 WeakPolarHBondContact O-CB 3.36Å; L715-C718 PolarHBondContact O-N 3.49Å; Q716-C718 PolarHBondContact O-N 2.76Å; C718-R766 HydrophobicContact CB-CB 4.15Å; C718-R766 WeakPolarHBondContact O-CD 3.35Å; C718-R766 PolarHBondContact O-NH1 2.81Å; C718-I767 HydrophobicContact CB-CD1 4.44Å; C718-I767 HydrophobicContact CB-CG1 3.7Å
719	L	94.8	Very high	88.1	Confident	14 Å²	14	59 Å²	59	7%	0.073	33%	0.333	C	S	.	.	S	Bend	trans	-72.7	156	-175.1	-55	-171.1	0	0	0	113.1	L715 R723 A725 V750 L759 E763	L715-L719 HydrophobicContact CD1-CD2 4.12Å; L715-L719 HydrophobicContact CG-CD2 4.12Å; L715-L719 HydrophobicContact CG-CG 4.47Å; L715-L719 WeakPolarHBondContact O-CG 3.32Å; L715-L719 PolarHBondContact O-N 3.11Å; L719-R723 HydrophobicContact CB-CB 4.25Å; L719-R723 HydrophobicContact CD1-CB 4.25Å; L719-A725 HydrophobicContact CD1-CB 3.97Å; L719-V750 HydrophobicContact CD1-CG1 3.95Å; L719-V750 HydrophobicContact CD1-CG2 3.9Å; L719-V750 HydrophobicContact CD2-CG2 3.62Å; L719-V750 HydrophobicContact CG-CG2 4.44Å; L719-L759 HydrophobicContact CD2-CD2 3.76Å; L719-E763 VanDerWaalsContact CA-OE1 3.25Å; L719-E763 WeakPolarHBondContact CA-OE1 3.34Å; L719-E763 WeakPolarHBondContact CB-OE1 3.5Å; L719-E763 HydrophobicContact CD2-CG 4.4Å; L719-E763 WeakPolarHBondContact CD2-OE1 3.42Å
720	D	92.8	Very high	89.5	Confident	38 Å²	38	55.5 Å²	55.5	20%	0.203	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-79.1	161.5	169.8	-75.5	-49.9	0	0	0	112.4	R723 W760 T762 E763 R766	D720-R723 VanDerWaalsContact O-CB 3.31Å; D720-R723 WeakPolarHBondContact O-CB 3.43Å; D720-R723 PolarHBondContact O-N 3.35Å; D720-W760 HydrophobicContact CB-CE3 4.15Å; D720-W760 HydrophobicContact CB-CZ3 3.87Å; D720-T762 PolarHBondContact OD2-OG1 2.79Å; D720-E763 PolarHBondContact N-OE1 3.03Å; D720-E763 VanDerWaalsContact N-OE1 3.09Å; D720-R766 IonicContact OD1-CZ 3.26Å; D720-R766 IonicContact OD1-NH1 3.23Å; D720-R766 PolarHBondContact OD1-NH1 3.32Å; D720-R766 IonicContact OD1-NH2 3.18Å; D720-R766 PolarHBondContact OD1-NH2 2.75Å; D720-R766 IonicContact OD2-CZ 3.77Å; D720-R766 IonicContact OD2-NH1 2.73Å; D720-R766 PolarHBondContact OD2-NH1 3.47Å; D720-R766 IonicContact OD2-NH2 3.29Å
721	H	91.2	Very high	90.6	Very high	193 Å²	193	55.9 Å²	55.9	89%	0.894	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	143.8	-173.5	-62.7	-45.8	0	0	0	113.2	R723	H721-R723 VanDerWaalsContact C-N 3.29Å
722	G	90.1	Very high	91	Very high	62 Å²	62	57.4 Å²	57.4	64%	0.639	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.3	2.2	-175.9	0	0	0	0	0	115
723	R	95.6	Very high	91.2	Very high	4 Å²	4	53.4 Å²	53.4	2%	0.015	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	135.7	-178.6	-57.5	167.7	59.7	74.6	-8.7	110.7	Q716 L719 D720 H721 V750 M752 D757 V758 W760 E763	Q716-R723 PolarHBondContact NE2-O 3.3Å; L719-R723 HydrophobicContact CB-CB 4.25Å; L719-R723 HydrophobicContact CD1-CB 4.25Å; D720-R723 VanDerWaalsContact O-CB 3.31Å; D720-R723 WeakPolarHBondContact O-CB 3.43Å; D720-R723 PolarHBondContact O-N 3.35Å; H721-R723 VanDerWaalsContact C-N 3.29Å; R723-V750 HydrophobicContact CB-CG1 3.87Å; R723-M752 HydrophobicContact CG-CB 4.47Å; R723-M752 HydrophobicContact CG-CG 4.2Å; R723-M752 HydrophobicContact CG-SD 4.18Å; R723-M752 PolarHBondContact NH1-SD 3.2Å; R723-M752 VanDerWaalsContact NH1-SD 3.44Å; R723-D757 IonicContact CZ-OD2 3.25Å; R723-D757 IonicContact NH1-OD2 3.52Å; R723-D757 PolarHBondContact NH1-OD2 3.3Å; R723-D757 IonicContact NH2-OD2 3.62Å; R723-D757 PolarHBondContact NH2-OD2 2.89Å; R723-V758 PolarHBondContact NH2-O 2.94Å; R723-W760 VanDerWaalsContact NH1-CE2 3.3Å; R723-W760 VanDerWaalsContact NH1-CZ2 3.3Å; R723-E763 IonicContact CZ-OE1 2.66Å; R723-E763 IonicContact CZ-OE2 3.36Å; R723-E763 IonicContact NE-OE1 3.58Å; R723-E763 PolarHBondContact NE-OE1 3.39Å; R723-E763 IonicContact NE-OE2 2.67Å; R723-E763 IonicContact NH2-OE1 2.63Å; R723-E763 IonicContact NH2-OE2 2.71Å; R723-E763 PolarHBondContact NH2-OE2 3.11Å
724	V	94.4	Very high	91.3	Very high	79 Å²	79	53.5 Å²	53.5	48%	0.479	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	129.7	-171.2	-177.6	0	0	0	0	110.9	V750 L751	V724-V750 CarbonylContact O-C 3.53Å; V724-V750 WeakPolarHBondContact O-CA 3.3Å; V724-L751 HydrophobicContact CB-CB 4.46Å; V724-L751 PolarHBondContact N-O 2.79Å; V724-L751 PolarHBondContact O-N 2.99Å
725	A	94.6	Very high	91.1	Very high	22 Å²	22	51.1 Å²	51.1	18%	0.182	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	125.2	178.1	0	0	0	0	0	111.5	L715 Q716 L719 F727	L715-A725 HydrophobicContact CB-CB 4.05Å; L715-A725 HydrophobicContact CD2-CB 3.9Å; L715-A725 HydrophobicContact CG-CB 4Å; Q716-A725 HydrophobicContact CB-CB 3.98Å; L719-A725 HydrophobicContact CD1-CB 3.97Å; A725-F727 VanDerWaalsContact C-N 3.3Å
726	K	92.6	Very high	90.8	Very high	69 Å²	69	59.2 Å²	59.2	30%	0.3	31%	0.31	S	S	.	.	S	Bend	trans	-78.1	-16.1	171	-65.7	-176.6	70.2	-167.3	0	113.2	H747 F748 P749 L751 E756	K726-H747 PolarHBondContact NZ-ND1 3.31Å; K726-F748 WeakPolarHBondContact CD-O 3.47Å; K726-P749 WeakPolarHBondContact CB-O 3.49Å; K726-P749 PolarHBondContact N-O 3.02Å; K726-L751 HydrophobicContact CD-CD1 4.37Å; K726-L751 HydrophobicContact CD-CD2 4.01Å; K726-L751 HydrophobicContact CD-CG 3.82Å; K726-L751 HydrophobicContact CG-CD1 4Å; K726-L751 HydrophobicContact CG-CD2 4.42Å; K726-L751 HydrophobicContact CG-CG 3.68Å; K726-E756 HydrophobicContact CD-CG 4.47Å; K726-E756 IonicContact NZ-OE1 3.52Å; K726-E756 PolarHBondContact NZ-OE1 3.08Å
727	F	89.6	Confident	90.2	Very high	66 Å²	66	59.2 Å²	59.2	29%	0.289	32%	0.318	S	S	.	.	S	Bend	trans	-142.3	135.3	-175.7	-50.9	-84.5	0	0	0	109.4	L715 A725 K729 Q742 P749	L715-F727 VanDerWaalsContact CB-O 3.27Å; L715-F727 WeakPolarHBondContact CB-O 3.43Å; L715-F727 WeakPolarHBondContact CD2-O 3.1Å; A725-F727 VanDerWaalsContact C-N 3.3Å; F727-K729 VanDerWaalsContact C-N 3.26Å; F727-K729 WeakPolarHBondContact CB-O 3.06Å; F727-K729 PolarHBondContact O-N 3.44Å; F727-Q742 HydrophobicContact CD2-CB 4.04Å; F727-Q742 HydrophobicContact CD2-CG 3.89Å; F727-Q742 HydrophobicContact CE1-CB 4.3Å; F727-Q742 HydrophobicContact CE2-CB 3.52Å; F727-Q742 HydrophobicContact CE2-CG 3.79Å; F727-Q742 HydrophobicContact CZ-CB 3.66Å; F727-Q742 HydrophobicContact CZ-CG 4.42Å; F727-P749 HydrophobicContact CD2-CB 4.08Å
728	G	88.1	Confident	89.9	Confident	43 Å²	43	61.7 Å²	61.7	44%	0.443	33%	0.333	S	S	.	.	S	Bend	trans	-67.1	-24.5	178.6	0	0	0	0	0	114.3	E714 L715	E714-G728 WeakPolarHBondContact CA-O 3.22Å; L715-G728 PolarHBondContact N-O 2.85Å
729	K	90.5	Very high	89.4	Confident	66 Å²	66	62.8 Å²	62.8	29%	0.287	34%	0.341	S	S	.	.	S	Bend	trans	-137	149.7	174	-62.3	-72.8	-162.5	174.1	0	109.3	I677 S680 A681 L713 F727	I677-K729 HydrophobicContact CD1-CB 4.27Å; I677-K729 HydrophobicContact CD1-CD 4.29Å; I677-K729 HydrophobicContact CD1-CG 3.99Å; I677-K729 HydrophobicContact CG1-CD 3.88Å; I677-K729 HydrophobicContact CG1-CG 4.15Å; I677-K729 PolarHBondContact O-NZ 2.92Å; S680-K729 PolarHBondContact O-NZ 2.78Å; A681-K729 CarbonylContact O-C 3.56Å; A681-K729 VanDerWaalsContact O-CA 3.3Å; A681-K729 WeakPolarHBondContact O-CA 3.5Å; L713-K729 VanDerWaalsContact O-CD 3.27Å; L713-K729 WeakPolarHBondContact O-CD 3.5Å; L713-K729 WeakPolarHBondContact O-CE 3.19Å; L713-K729 PolarHBondContact O-NZ 2.75Å; F727-K729 VanDerWaalsContact C-N 3.26Å; F727-K729 WeakPolarHBondContact CB-O 3.06Å; F727-K729 PolarHBondContact O-N 3.44Å
730	V	91.1	Very high	89	Confident	1 Å²	1	62.2 Å²	62.2	1%	0.006	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-100.6	154.1	172.3	-63.8	0	0	0	0	112.2	A681 A682 H683 L715 I733 P749 I767	A681-V730 PolarHBondContact O-N 2.87Å; A682-V730 WeakPolarHBondContact CA-O 3.42Å; A682-V730 HydrophobicContact CB-CG2 3.59Å; H683-V730 PolarHBondContact N-O 2.92Å; L715-V730 HydrophobicContact CD1-CG1 3.86Å; L715-V730 HydrophobicContact CD2-CG1 3.7Å; L715-V730 HydrophobicContact CG-CG1 4.32Å; V730-I733 HydrophobicContact CG2-CD1 4.01Å; V730-I733 HydrophobicContact CG2-CG1 4.32Å; V730-P749 HydrophobicContact CG1-CB 4.01Å; V730-I767 HydrophobicContact CG2-CG2 4.34Å
731	R	89.6	Confident	88.8	Confident	127 Å²	127	63.2 Å²	63.2	48%	0.479	34%	0.341	S	S	.	.			trans	-68.5	167.9	166.8	-69	175.7	179.4	168.8	3.8	111.9	I733 Q742 G743	R731-I733 PolarHBondContact O-N 2.66Å; R731-Q742 VanDerWaalsContact CG-OE1 3.28Å; R731-G743 PolarHBondContact NH1-O 2.87Å; R731-G743 PolarHBondContact NH2-O 3.29Å
732	T	86.3	Confident	88.5	Confident	57 Å²	57	54.3 Å²	54.3	35%	0.35	30%	0.299	S	S	.	.			trans	-51.1	103.2	178.8	-41	0	0	0	0	113.3	H683 R684	H683-T732 WeakPolarHBondContact O-CA 3.28Å; H683-T732 PolarHBondContact O-N 3.29Å; H683-T732 PolarHBondContact O-OG1 3.12Å; R684-T732 HydrophobicContact CG-CG2 4.36Å
733	I	87.6	Confident	88	Confident	2 Å²	2	52.3 Å²	52.3	1%	0.01	28%	0.279	C	S	.	.			trans	-75.2	139.3	171.8	-56.1	-177.5	0	0	0	108.8	V730 R731 I740 L759 L764 F768	V730-I733 HydrophobicContact CG2-CD1 4.01Å; V730-I733 HydrophobicContact CG2-CG1 4.32Å; R731-I733 PolarHBondContact O-N 2.66Å; I733-I740 HydrophobicContact CG2-CG1 4.22Å; I733-L759 HydrophobicContact CD1-CD1 3.55Å; I733-L764 HydrophobicContact CD1-CD2 3.47Å; I733-L764 VanDerWaalsContact CD1-CD2 3.47Å; I733-L764 HydrophobicContact CG2-CD2 4.16Å; I733-F768 HydrophobicContact CB-CE2 4.09Å; I733-F768 HydrophobicContact CB-CZ 3.99Å; I733-F768 HydrophobicContact CG2-CE2 4.45Å; I733-F768 HydrophobicContact CG2-CZ 4.32Å
734	T	86.5	Confident	87.1	Confident	49 Å²	49	60.9 Å²	60.9	30%	0.301	32%	0.316	S	S	.	.			trans	-134.7	-178.5	-175.3	71.6	0	0	0	0	110.8	R736 S739 Q786	T734-R736 PolarHBondContact O-N 3.06Å; T734-R736 VanDerWaalsContact O-N 3.15Å; T734-R736 PolarHBondContact OG1-N 3.42Å; T734-S739 PolarHBondContact N-OG 3.13Å; T734-S739 PolarHBondContact O-OG 3.49Å; T734-S739 VanDerWaalsContact OG1-CB 3.23Å; T734-S739 WeakPolarHBondContact OG1-CB 3.1Å; T734-S739 PolarHBondContact OG1-OG 3.44Å; T734-Q786 PolarHBondContact O-NE2 3.28Å
735	T	86.4	Confident	86.4	Confident	47 Å²	47	63 Å²	63	29%	0.288	33%	0.325	S	S	.	.	S	Bend	trans	-57.4	-19.5	172.2	54.3	0	0	0	0	114.9	R791	T735-R791 HydrophobicContact CG2-CG 3.73Å
736	R	85.2	Confident	85.8	Confident	170 Å²	170	66.1 Å²	66.1	64%	0.642	34%	0.336	S	S	*	.	S	Bend	trans	-90.1	125.6	179.2	-63.2	-174	179.8	-167.6	0.3	110.9	T734 N738 S739 Q786	T734-R736 PolarHBondContact O-N 3.06Å; T734-R736 VanDerWaalsContact O-N 3.15Å; T734-R736 PolarHBondContact OG1-N 3.42Å; R736-N738 PolarHBondContact O-N 3.16Å; R736-N738 VanDerWaalsContact O-N 3.1Å; R736-S739 WeakPolarHBondContact O-CB 3.29Å; R736-S739 PolarHBondContact O-N 3Å; R736-S739 PolarHBondContact O-OG 3.33Å; R736-Q786 PolarHBondContact O-NE2 3.46Å
737	S	82.8	Confident	85.6	Confident	75 Å²	75	66.2 Å²	66.2	52%	0.524	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-49	-41	179.2	-44.8	0	0	0	0	113.6	S739 I740	S737-S739 PolarHBondContact O-N 2.88Å; S737-I740 PolarHBondContact O-N 2.74Å
738	N	84.3	Confident	85.7	Confident	111 Å²	111	65.8 Å²	65.8	59%	0.594	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-63.8	-18.2	179.3	-70.8	-17	0	0	0	114.4	R736 I740 K741	R736-N738 PolarHBondContact O-N 3.16Å; R736-N738 VanDerWaalsContact O-N 3.1Å; N738-I740 PolarHBondContact O-N 2.69Å; N738-K741 VanDerWaalsContact O-CB 3.28Å; N738-K741 WeakPolarHBondContact O-CB 3.29Å; N738-K741 PolarHBondContact O-N 2.73Å
739	S	84.3	Confident	85.9	Confident	24 Å²	24	63.8 Å²	63.8	17%	0.168	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-72	-8.8	176.1	64.2	0	0	0	0	114.6	T734 R736 S737	T734-S739 PolarHBondContact N-OG 3.13Å; T734-S739 PolarHBondContact O-OG 3.49Å; T734-S739 VanDerWaalsContact OG1-CB 3.23Å; T734-S739 WeakPolarHBondContact OG1-CB 3.1Å; T734-S739 PolarHBondContact OG1-OG 3.44Å; R736-S739 WeakPolarHBondContact O-CB 3.29Å; R736-S739 PolarHBondContact O-N 3Å; R736-S739 PolarHBondContact O-OG 3.33Å; S737-S739 PolarHBondContact O-N 2.88Å
740	I	86.3	Confident	86.1	Confident	2 Å²	2	60.6 Å²	60.6	1%	0.01	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-69.6	-25.1	166.5	-68.1	174.2	0	0	0	110.8	I733 S737 N738 Q742 P749 L759	I733-I740 HydrophobicContact CG2-CG1 4.22Å; S737-I740 PolarHBondContact O-N 2.74Å; N738-I740 PolarHBondContact O-N 2.69Å; I740-Q742 PolarHBondContact O-NE2 2.96Å; I740-P749 HydrophobicContact CG2-CG 3.96Å; I740-P749 WeakPolarHBondContact O-CD 3.36Å; I740-L759 HydrophobicContact CG2-CB 4.47Å; I740-L759 HydrophobicContact CG2-CD1 4.28Å; I740-L759 HydrophobicContact CG2-CG 4.31Å
741	K	87.8	Confident	86.3	Confident	59 Å²	59	63.2 Å²	63.2	26%	0.257	31%	0.314	S	S	.	.			trans	-76.5	143.3	-176.3	-59.4	-178.2	164.3	-154.3	0	112	N738 Q746 H747 F748	N738-K741 VanDerWaalsContact O-CB 3.28Å; N738-K741 WeakPolarHBondContact O-CB 3.29Å; N738-K741 PolarHBondContact O-N 2.73Å; K741-Q746 HydrophobicContact CB-CB 4.49Å; K741-Q746 HydrophobicContact CD-CB 4.08Å; K741-Q746 WeakPolarHBondContact CD-O 3.18Å; K741-H747 CarbonylContact C-O 3.56Å; K741-H747 VanDerWaalsContact CA-O 3.3Å; K741-H747 WeakPolarHBondContact CA-O 3.44Å; K741-F748 HydrophobicContact CD-CE1 4.19Å; K741-F748 VanDerWaalsContact CE-CZ 3.47Å; K741-F748 HydrophobicContact CG-CD1 3.88Å; K741-F748 HydrophobicContact CG-CE1 3.8Å
742	Q	85.9	Confident	86.5	Confident	5 Å²	5	60.2 Å²	60.2	2%	0.023	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-118.3	171.9	-170.5	-53.8	-56.9	-45	0	0	111.7	F727 R731 I740 Q746 H747 P749	F727-Q742 HydrophobicContact CD2-CB 4.04Å; F727-Q742 HydrophobicContact CD2-CG 3.89Å; F727-Q742 HydrophobicContact CE1-CB 4.3Å; F727-Q742 HydrophobicContact CE2-CB 3.52Å; F727-Q742 HydrophobicContact CE2-CG 3.79Å; F727-Q742 HydrophobicContact CZ-CB 3.66Å; F727-Q742 HydrophobicContact CZ-CG 4.42Å; R731-Q742 VanDerWaalsContact CG-OE1 3.28Å; I740-Q742 PolarHBondContact O-NE2 2.96Å; Q742-Q746 PolarHBondContact O-N 2.81Å; Q742-H747 PolarHBondContact N-O 2.78Å; Q742-H747 PolarHBondContact O-N 2.89Å; Q742-P749 HydrophobicContact CG-CB 3.94Å
743	G	79.1	Confident	86.7	Confident	21 Å²	21	64.5 Å²	64.5	22%	0.216	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.6	-158.4	179.6	0	0	0	0	0	114	R731	R731-G743 PolarHBondContact NH1-O 2.87Å; R731-G743 PolarHBondContact NH2-O 3.29Å
744	K	75.6	Confident	86.8	Confident	183 Å²	183	67.8 Å²	67.8	80%	0.796	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-38.9	161.2	-71.6	-179.5	175.3	-178.2	0	109.9	Q746	K744-Q746 WeakPolarHBondContact O-CG 3.27Å; K744-Q746 PolarHBondContact O-N 2.87Å; K744-Q746 VanDerWaalsContact O-N 3.13Å; K744-Q746 PolarHBondContact O-NE2 3.37Å
745	D	79.4	Confident	87.1	Confident	123 Å²	123	73.3 Å²	73.3	66%	0.658	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	11.3	-164.2	-36.1	-83.1	0	0	0	112.5	H747	D745-H747 VanDerWaalsContact C-N 3.29Å; D745-H747 PolarHBondContact O-N 3.34Å
746	Q	83.8	Confident	87.4	Confident	89 Å²	89	74.7 Å²	74.7	42%	0.416	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.9	27.5	166.5	-61.5	-54.5	-60.5	0	0	115.4	K741 Q742 K744	K741-Q746 HydrophobicContact CB-CB 4.49Å; K741-Q746 HydrophobicContact CD-CB 4.08Å; K741-Q746 WeakPolarHBondContact CD-O 3.18Å; Q742-Q746 PolarHBondContact O-N 2.81Å; K744-Q746 WeakPolarHBondContact O-CG 3.27Å; K744-Q746 PolarHBondContact O-N 2.87Å; K744-Q746 VanDerWaalsContact O-N 3.13Å; K744-Q746 PolarHBondContact O-NE2 3.37Å
747	H	87.8	Confident	87.8	Confident	70 Å²	70	68.7 Å²	68.7	32%	0.324	37%	0.365	S	S	.	.	B	Isolated β-bridge	trans	-58.2	145.2	172.4	-67	-69.6	0	0	0	112.6	K726 K741 Q742 D745 E756	K726-H747 PolarHBondContact NZ-ND1 3.31Å; K741-H747 CarbonylContact C-O 3.56Å; K741-H747 VanDerWaalsContact CA-O 3.3Å; K741-H747 WeakPolarHBondContact CA-O 3.44Å; Q742-H747 PolarHBondContact N-O 2.78Å; Q742-H747 PolarHBondContact O-N 2.89Å; D745-H747 VanDerWaalsContact C-N 3.29Å; D745-H747 PolarHBondContact O-N 3.34Å; H747-E756 WeakPolarHBondContact CA-OE2 3.5Å; H747-E756 IonicContact CE1-OE1 2.67Å; H747-E756 IonicContact CG-OE1 3.47Å; H747-E756 IonicContact ND1-OE1 2.79Å; H747-E756 PolarHBondContact ND1-OE1 3.47Å; H747-E756 IonicContact ND1-OE2 3.52Å
748	F	92.1	Very high	88.2	Confident	58 Å²	58	66.7 Å²	66.7	25%	0.254	35%	0.349	S	S	.	.			trans	-74.7	158	164.2	-61.5	-67.3	0	0	0	111.1	K726 K741 E756 D757 V758	K726-F748 WeakPolarHBondContact CD-O 3.47Å; K741-F748 HydrophobicContact CD-CE1 4.19Å; K741-F748 VanDerWaalsContact CE-CZ 3.47Å; K741-F748 HydrophobicContact CG-CD1 3.88Å; K741-F748 HydrophobicContact CG-CE1 3.8Å; F748-E756 HydrophobicContact CB-CB 4.29Å; F748-E756 HydrophobicContact CD2-CB 4.15Å; F748-E756 PolarHBondContact N-OE2 3.04Å; F748-D757 VanDerWaalsContact CB-O 3.27Å; F748-D757 WeakPolarHBondContact CB-O 3.35Å; F748-V758 HydrophobicContact CD1-CG1 3.6Å; F748-V758 HydrophobicContact CE1-CG1 3.4Å; F748-V758 VanDerWaalsContact CE1-CG1 3.4Å; F748-V758 HydrophobicContact CG-CG1 4.29Å; F748-V758 HydrophobicContact CZ-CG1 3.96Å
749	P	92.4	Very high	88.7	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	32%	0.321	C	S	.	.	S	Bend	trans	-86.4	-8.3	-171.7	33.1	-34.6	0	0	0	115.1	L715 K726 F727 V730 I740 Q742 L759	L715-P749 HydrophobicContact CD2-CB 4.07Å; K726-P749 WeakPolarHBondContact CB-O 3.49Å; K726-P749 PolarHBondContact N-O 3.02Å; F727-P749 HydrophobicContact CD2-CB 4.08Å; V730-P749 HydrophobicContact CG1-CB 4.01Å; I740-P749 HydrophobicContact CG2-CG 3.96Å; I740-P749 WeakPolarHBondContact O-CD 3.36Å; Q742-P749 HydrophobicContact CG-CB 3.94Å; P749-L759 HydrophobicContact CG-CD1 3.93Å; P749-L759 HydrophobicContact CG-CD2 4.23Å; P749-L759 HydrophobicContact CG-CG 3.74Å
750	V	95	Very high	89.2	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	147.1	-175.4	-178.4	0	0	0	0	110.8	L719 R723 V724 E756 D757 L759	L719-V750 HydrophobicContact CD1-CG1 3.95Å; L719-V750 HydrophobicContact CD1-CG2 3.9Å; L719-V750 HydrophobicContact CD2-CG2 3.62Å; L719-V750 HydrophobicContact CG-CG2 4.44Å; R723-V750 HydrophobicContact CB-CG1 3.87Å; V724-V750 CarbonylContact O-C 3.53Å; V724-V750 WeakPolarHBondContact O-CA 3.3Å; V750-E756 WeakPolarHBondContact O-CA 3.4Å; V750-D757 PolarHBondContact O-N 3.28Å; V750-L759 HydrophobicContact CG2-CD2 3.64Å; V750-L759 HydrophobicContact CG2-CG 4.45Å
751	L	94.4	Very high	89.5	Confident	55 Å²	55	65.1 Å²	65.1	29%	0.288	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	135.6	162.1	-67.7	170.3	0	0	0	110	V724 K726 K755 E756	V724-L751 HydrophobicContact CB-CB 4.46Å; V724-L751 PolarHBondContact N-O 2.79Å; V724-L751 PolarHBondContact O-N 2.99Å; K726-L751 HydrophobicContact CD-CD1 4.37Å; K726-L751 HydrophobicContact CD-CD2 4.01Å; K726-L751 HydrophobicContact CD-CG 3.82Å; K726-L751 HydrophobicContact CG-CD1 4Å; K726-L751 HydrophobicContact CG-CD2 4.42Å; K726-L751 HydrophobicContact CG-CG 3.68Å; L751-K755 CarbonylContact C-O 3.55Å; L751-K755 VanDerWaalsContact CA-O 3.27Å; L751-K755 WeakPolarHBondContact CA-O 3.28Å; L751-E756 HydrophobicContact CD2-CG 4.02Å
752	M	93.7	Very high	89.9	Confident	64 Å²	64	63.2 Å²	63.2	32%	0.315	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	124.9	168.4	-170.5	175.4	-177.4	0	0	108.2	R723 G754 K755 D757 W760	R723-M752 HydrophobicContact CG-CB 4.47Å; R723-M752 HydrophobicContact CG-CG 4.2Å; R723-M752 HydrophobicContact CG-SD 4.18Å; R723-M752 PolarHBondContact NH1-SD 3.2Å; R723-M752 VanDerWaalsContact NH1-SD 3.44Å; M752-G754 PolarHBondContact O-N 3.19Å; M752-G754 VanDerWaalsContact O-N 3.13Å; M752-K755 PolarHBondContact N-O 3.42Å; M752-K755 PolarHBondContact O-N 2.69Å; M752-D757 HydrophobicContact CB-CB 4.45Å; M752-W760 HydrophobicContact CE-CH2 4.4Å; M752-W760 HydrophobicContact CE-CZ2 4.41Å; M752-W760 HydrophobicContact SD-CH2 4.43Å; M752-W760 HydrophobicContact SD-CZ2 3.94Å
753	N	91.4	Very high	90.3	Very high	148 Å²	148	63 Å²	63	79%	0.791	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	38.4	-176.3	-59	-20.6	0	0	0	113.8	K755	N753-K755 VanDerWaalsContact C-N 3.27Å; N753-K755 PolarHBondContact O-N 3.32Å
754	G	88.3	Confident	91.1	Very high	70 Å²	70	62 Å²	62	72%	0.722	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.4	-4.5	-179	0	0	0	0	0	116	M752	M752-G754 PolarHBondContact O-N 3.19Å; M752-G754 VanDerWaalsContact O-N 3.13Å
755	K	93.2	Very high	92.1	Very high	166 Å²	166	53.3 Å²	53.3	72%	0.722	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.6	149.7	177.3	-61.8	-177	-179.3	-178.9	0	110.8	L751 M752 N753	L751-K755 CarbonylContact C-O 3.55Å; L751-K755 VanDerWaalsContact CA-O 3.27Å; L751-K755 WeakPolarHBondContact CA-O 3.28Å; M752-K755 PolarHBondContact N-O 3.42Å; M752-K755 PolarHBondContact O-N 2.69Å; N753-K755 VanDerWaalsContact C-N 3.27Å; N753-K755 PolarHBondContact O-N 3.32Å
756	E	93.6	Very high	92.8	Very high	76 Å²	76	49.5 Å²	49.5	36%	0.355	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	136	173.5	-69.3	-163	-173.5	0	0	111.7	K726 H747 F748 V750 L751	K726-E756 HydrophobicContact CD-CG 4.47Å; K726-E756 IonicContact NZ-OE1 3.52Å; K726-E756 PolarHBondContact NZ-OE1 3.08Å; H747-E756 WeakPolarHBondContact CA-OE2 3.5Å; H747-E756 IonicContact CE1-OE1 2.67Å; H747-E756 IonicContact CG-OE1 3.47Å; H747-E756 IonicContact ND1-OE1 2.79Å; H747-E756 PolarHBondContact ND1-OE1 3.47Å; H747-E756 IonicContact ND1-OE2 3.52Å; F748-E756 HydrophobicContact CB-CB 4.29Å; F748-E756 HydrophobicContact CD2-CB 4.15Å; F748-E756 PolarHBondContact N-OE2 3.04Å; V750-E756 WeakPolarHBondContact O-CA 3.4Å; L751-E756 HydrophobicContact CD2-CG 4.02Å
757	D	92.9	Very high	93.3	Very high	44 Å²	44	45.4 Å²	45.4	24%	0.235	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	156.4	175.5	-171.8	32.1	0	0	0	112.5	R723 F748 V750 M752 W760	R723-D757 IonicContact CZ-OD2 3.25Å; R723-D757 IonicContact NH1-OD2 3.52Å; R723-D757 PolarHBondContact NH1-OD2 3.3Å; R723-D757 IonicContact NH2-OD2 3.62Å; R723-D757 PolarHBondContact NH2-OD2 2.89Å; F748-D757 VanDerWaalsContact CB-O 3.27Å; F748-D757 WeakPolarHBondContact CB-O 3.35Å; V750-D757 PolarHBondContact O-N 3.28Å; M752-D757 HydrophobicContact CB-CB 4.45Å; D757-W760 PolarHBondContact OD2-NE1 2.72Å
758	V	91.8	Very high	93.6	Very high	32 Å²	32	42.3 Å²	42.3	19%	0.194	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-74.6	157.1	175.4	-68	0	0	0	0	112.2	R723 F748	R723-V758 PolarHBondContact NH2-O 2.94Å; F748-V758 HydrophobicContact CD1-CG1 3.6Å; F748-V758 HydrophobicContact CE1-CG1 3.4Å; F748-V758 VanDerWaalsContact CE1-CG1 3.4Å; F748-V758 HydrophobicContact CG-CG1 4.29Å; F748-V758 HydrophobicContact CZ-CG1 3.96Å
759	L	93.7	Very high	93.7	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-64.4	134.4	166.7	-66.1	167.2	0	0	0	110.8	L715 L719 I733 I740 P749 V750 E763 L764 I767 R782	L715-L759 HydrophobicContact CD1-CD2 4.09Å; L719-L759 HydrophobicContact CD2-CD2 3.76Å; I733-L759 HydrophobicContact CD1-CD1 3.55Å; I740-L759 HydrophobicContact CG2-CB 4.47Å; I740-L759 HydrophobicContact CG2-CD1 4.28Å; I740-L759 HydrophobicContact CG2-CG 4.31Å; P749-L759 HydrophobicContact CG-CD1 3.93Å; P749-L759 HydrophobicContact CG-CD2 4.23Å; P749-L759 HydrophobicContact CG-CG 3.74Å; V750-L759 HydrophobicContact CG2-CD2 3.64Å; V750-L759 HydrophobicContact CG2-CG 4.45Å; L759-E763 WeakPolarHBondContact CA-OE2 3.45Å; L759-E763 HydrophobicContact CD2-CB 4.23Å; L759-L764 HydrophobicContact CB-CD2 3.93Å; L759-L764 HydrophobicContact CB-CG 4.04Å; L759-L764 HydrophobicContact CD1-CD2 3.83Å; L759-I767 HydrophobicContact CD1-CD1 3.77Å; L759-I767 HydrophobicContact CD2-CD1 4Å; L759-I767 HydrophobicContact CG-CD1 4.47Å; L759-R782 PolarHBondContact O-NH2 2.96Å
760	W	94.3	Very high	93.8	Very high	90 Å²	90	41 Å²	41	34%	0.341	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-79.8	163	173.1	-59	-7.9	0	0	0	110.8	D720 R723 M752 D757 T762 E763 L764	D720-W760 HydrophobicContact CB-CE3 4.15Å; D720-W760 HydrophobicContact CB-CZ3 3.87Å; R723-W760 VanDerWaalsContact NH1-CE2 3.3Å; R723-W760 VanDerWaalsContact NH1-CZ2 3.3Å; M752-W760 HydrophobicContact CE-CH2 4.4Å; M752-W760 HydrophobicContact CE-CZ2 4.41Å; M752-W760 HydrophobicContact SD-CH2 4.43Å; M752-W760 HydrophobicContact SD-CZ2 3.94Å; D757-W760 PolarHBondContact OD2-NE1 2.72Å; W760-T762 VanDerWaalsContact C-N 3.3Å; W760-T762 PolarHBondContact O-N 2.87Å; W760-E763 HydrophobicContact CB-CG 4.08Å; W760-E763 PolarHBondContact N-OE2 2.82Å; W760-E763 PolarHBondContact O-N 2.86Å; W760-L764 WeakPolarHBondContact O-CG 3.17Å; W760-L764 PolarHBondContact O-N 2.7Å
761	C	94.5	Very high	93.8	Very high	14 Å²	14	43.6 Å²	43.6	10%	0.095	24%	0.239	C	C	.	.	H	α-helix	trans	-63.6	-35.8	-178.9	-72	0	0	0	0	112.6	E763 L764 E765	C761-E763 VanDerWaalsContact C-N 3.35Å; C761-L764 PolarHBondContact O-N 2.87Å; C761-E765 WeakPolarHBondContact O-CB 3.28Å; C761-E765 VanDerWaalsContact O-CG 3.27Å; C761-E765 WeakPolarHBondContact O-CG 3.48Å; C761-E765 PolarHBondContact O-N 3.35Å
762	T	94.7	Very high	93.8	Very high	19 Å²	19	43.9 Å²	43.9	12%	0.117	24%	0.242	C	C	.	.	H	α-helix	trans	-61.2	-40.7	173	49	0	0	0	0	112.5	D720 W760 R766 V772	D720-T762 PolarHBondContact OD2-OG1 2.79Å; W760-T762 VanDerWaalsContact C-N 3.3Å; W760-T762 PolarHBondContact O-N 2.87Å; T762-R766 WeakPolarHBondContact O-CD 3.28Å; T762-R766 VanDerWaalsContact O-CG 3.27Å; T762-R766 WeakPolarHBondContact O-CG 3.41Å; T762-R766 PolarHBondContact O-N 2.93Å; T762-V772 HydrophobicContact CG2-CG1 3.67Å
763	E	95.4	Very high	93.8	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-69.2	-41.2	176.4	-56.7	179.9	135.2	0	0	110.8	L719 D720 R723 L759 W760 C761 R766 I767	L719-E763 VanDerWaalsContact CA-OE1 3.25Å; L719-E763 WeakPolarHBondContact CA-OE1 3.34Å; L719-E763 WeakPolarHBondContact CB-OE1 3.5Å; L719-E763 HydrophobicContact CD2-CG 4.4Å; L719-E763 WeakPolarHBondContact CD2-OE1 3.42Å; D720-E763 PolarHBondContact N-OE1 3.03Å; D720-E763 VanDerWaalsContact N-OE1 3.09Å; R723-E763 IonicContact CZ-OE1 2.66Å; R723-E763 IonicContact CZ-OE2 3.36Å; R723-E763 IonicContact NE-OE1 3.58Å; R723-E763 PolarHBondContact NE-OE1 3.39Å; R723-E763 IonicContact NE-OE2 2.67Å; R723-E763 IonicContact NH2-OE1 2.63Å; R723-E763 IonicContact NH2-OE2 2.71Å; R723-E763 PolarHBondContact NH2-OE2 3.11Å; L759-E763 WeakPolarHBondContact CA-OE2 3.45Å; L759-E763 HydrophobicContact CD2-CB 4.23Å; W760-E763 HydrophobicContact CB-CG 4.08Å; W760-E763 PolarHBondContact N-OE2 2.82Å; W760-E763 PolarHBondContact O-N 2.86Å; C761-E763 VanDerWaalsContact C-N 3.35Å; E763-R766 PolarHBondContact O-N 3.29Å; E763-I767 WeakPolarHBondContact O-CB 3.45Å; E763-I767 WeakPolarHBondContact O-CD1 3.45Å; E763-I767 WeakPolarHBondContact O-CG1 3.04Å; E763-I767 PolarHBondContact O-N 3.36Å
764	L	94.9	Very high	94.1	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.01	21%	0.212	C	C	.	.	H	α-helix	trans	-64.2	-42	174.6	-68.9	174.3	0	0	0	112.6	I733 L759 W760 C761 R766 I767 F768 Q786 L789	I733-L764 HydrophobicContact CD1-CD2 3.47Å; I733-L764 VanDerWaalsContact CD1-CD2 3.47Å; I733-L764 HydrophobicContact CG2-CD2 4.16Å; L759-L764 HydrophobicContact CB-CD2 3.93Å; L759-L764 HydrophobicContact CB-CG 4.04Å; L759-L764 HydrophobicContact CD1-CD2 3.83Å; W760-L764 WeakPolarHBondContact O-CG 3.17Å; W760-L764 PolarHBondContact O-N 2.7Å; C761-L764 PolarHBondContact O-N 2.87Å; L764-R766 PolarHBondContact O-N 2.79Å; L764-I767 PolarHBondContact O-N 3.49Å; L764-F768 WeakPolarHBondContact O-CD2 3.42Å; L764-F768 PolarHBondContact O-N 2.89Å; L764-F768 VanDerWaalsContact O-N 3.08Å; L764-Q786 HydrophobicContact CD1-CB 4.49Å; L764-Q786 HydrophobicContact CD1-CG 4.37Å; L764-L789 HydrophobicContact CB-CD1 3.73Å
765	E	96.3	Very high	94.5	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-56.2	-50.6	174.7	-76.4	159.2	170.8	0	0	110.4	C761 I767 F768 G769 F770 H773 Y774 T775 R785 L789	C761-E765 WeakPolarHBondContact O-CB 3.28Å; C761-E765 VanDerWaalsContact O-CG 3.27Å; C761-E765 WeakPolarHBondContact O-CG 3.48Å; C761-E765 PolarHBondContact O-N 3.35Å; E765-I767 PolarHBondContact O-N 3.38Å; E765-F768 CarbonylContact O-C 3.59Å; E765-F768 PolarHBondContact O-N 3.03Å; E765-G769 PolarHBondContact O-N 2.92Å; E765-F770 HydrophobicContact CB-CB 4.17Å; E765-F770 PolarHBondContact O-N 2.82Å; E765-H773 WeakPolarHBondContact OE2-CA 3.47Å; E765-H773 PolarHBondContact OE2-N 3.39Å; E765-Y774 PolarHBondContact OE1-N 2.93Å; E765-T775 WeakPolarHBondContact OE1-CB 3.38Å; E765-T775 PolarHBondContact OE1-N 3.05Å; E765-T775 PolarHBondContact OE1-OG1 3.45Å; E765-R785 IonicContact OE1-CZ 2.89Å; E765-R785 IonicContact OE1-NE 2.62Å; E765-R785 IonicContact OE1-NH2 2.74Å; E765-R785 PolarHBondContact OE1-NH2 3.13Å; E765-R785 IonicContact OE2-NH2 2.81Å; E765-L789 HydrophobicContact CG-CD1 3.97Å; E765-L789 HydrophobicContact CG-CD2 3.94Å
766	R	94.6	Very high	94.6	Very high	43 Å²	43	30.8 Å²	30.8	16%	0.162	16%	0.161	C	C	.	.	H	α-helix	trans	-60.7	-43.4	176.7	-66.3	161.4	-171.9	164.6	5.5	113.2	K712 C718 D720 T762 E763 L764 F768 G769 V772	K712-R766 HydrophobicContact CD-CB 4.13Å; C718-R766 HydrophobicContact CB-CB 4.15Å; C718-R766 WeakPolarHBondContact O-CD 3.35Å; C718-R766 PolarHBondContact O-NH1 2.81Å; D720-R766 IonicContact OD1-CZ 3.26Å; D720-R766 IonicContact OD1-NH1 3.23Å; D720-R766 PolarHBondContact OD1-NH1 3.32Å; D720-R766 IonicContact OD1-NH2 3.18Å; D720-R766 PolarHBondContact OD1-NH2 2.75Å; D720-R766 IonicContact OD2-CZ 3.77Å; D720-R766 IonicContact OD2-NH1 2.73Å; D720-R766 PolarHBondContact OD2-NH1 3.47Å; D720-R766 IonicContact OD2-NH2 3.29Å; T762-R766 WeakPolarHBondContact O-CD 3.28Å; T762-R766 VanDerWaalsContact O-CG 3.27Å; T762-R766 WeakPolarHBondContact O-CG 3.41Å; T762-R766 PolarHBondContact O-N 2.93Å; E763-R766 PolarHBondContact O-N 3.29Å; L764-R766 PolarHBondContact O-N 2.79Å; R766-F768 PolarHBondContact O-N 2.99Å; R766-G769 PolarHBondContact O-N 3.04Å; R766-G769 VanDerWaalsContact O-N 3.09Å; R766-V772 HydrophobicContact CG-CG2 4.02Å
767	I	94	Very high	94.6	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.01	15%	0.148	C	C	.	.	H	α-helix	trans	-61.2	-33.4	178.3	-71.7	162.1	0	0	0	111.5	A681 A682 L715 C718 V730 L759 E763 L764 E765	A681-I767 HydrophobicContact CB-CG1 4.3Å; A682-I767 HydrophobicContact CB-CG2 3.55Å; L715-I767 HydrophobicContact CD1-CD1 3.59Å; L715-I767 HydrophobicContact CD1-CG1 4.15Å; C718-I767 HydrophobicContact CB-CD1 4.44Å; C718-I767 HydrophobicContact CB-CG1 3.7Å; V730-I767 HydrophobicContact CG2-CG2 4.34Å; L759-I767 HydrophobicContact CD1-CD1 3.77Å; L759-I767 HydrophobicContact CD2-CD1 4Å; L759-I767 HydrophobicContact CG-CD1 4.47Å; E763-I767 WeakPolarHBondContact O-CB 3.45Å; E763-I767 WeakPolarHBondContact O-CD1 3.45Å; E763-I767 WeakPolarHBondContact O-CG1 3.04Å; E763-I767 PolarHBondContact O-N 3.36Å; L764-I767 PolarHBondContact O-N 3.49Å; E765-I767 PolarHBondContact O-N 3.38Å
768	F	94.3	Very high	94.5	Very high	5 Å²	5	29.4 Å²	29.4	2%	0.022	16%	0.163	C	C	.	.	H	α-helix	trans	-89.5	-7.2	179.3	-76.6	-124.5	0	0	0	112.5	I733 L764 E765 R766 F770 L789 V795	I733-F768 HydrophobicContact CB-CE2 4.09Å; I733-F768 HydrophobicContact CB-CZ 3.99Å; I733-F768 HydrophobicContact CG2-CE2 4.45Å; I733-F768 HydrophobicContact CG2-CZ 4.32Å; L764-F768 WeakPolarHBondContact O-CD2 3.42Å; L764-F768 PolarHBondContact O-N 2.89Å; L764-F768 VanDerWaalsContact O-N 3.08Å; E765-F768 CarbonylContact O-C 3.59Å; E765-F768 PolarHBondContact O-N 3.03Å; R766-F768 PolarHBondContact O-N 2.99Å; F768-F770 HydrophobicContact CB-CD2 3.71Å; F768-F770 HydrophobicContact CB-CE2 3.91Å; F768-L789 WeakPolarHBondContact CD1-O 3.3Å; F768-L789 WeakPolarHBondContact CE1-O 3.34Å; F768-V795 PolarHBondContact O-N 2.63Å
769	G	93.4	Very high	94.4	Very high	23 Å²	23	36 Å²	36	24%	0.237	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.9	10.9	178	0	0	0	0	0	115.3	E765 R766 V795	E765-G769 PolarHBondContact O-N 2.92Å; R766-G769 PolarHBondContact O-N 3.04Å; R766-G769 VanDerWaalsContact O-N 3.09Å; G769-V795 WeakPolarHBondContact O-CB 3.37Å; G769-V795 WeakPolarHBondContact O-CG1 3.35Å
770	F	95.9	Very high	94.4	Very high	8 Å²	8	37 Å²	37	4%	0.035	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-78.3	154.1	176.5	-70.4	-88	0	0	0	112	I537 T539 L542 E765 F768 Y774 L789 S792 V795	I537-F770 HydrophobicContact CD1-CE1 3.9Å; I537-F770 HydrophobicContact CD1-CE2 4.28Å; I537-F770 HydrophobicContact CD1-CZ 3.77Å; I537-F770 HydrophobicContact CG1-CE1 4.21Å; I537-F770 HydrophobicContact CG1-CZ 4.16Å; T539-F770 HydrophobicContact CG2-CE1 4.01Å; T539-F770 HydrophobicContact CG2-CZ 3.74Å; T539-F770 WeakPolarHBondContact OG1-CZ 3.41Å; L542-F770 HydrophobicContact CD2-CD1 3.45Å; L542-F770 VanDerWaalsContact CD2-CD1 3.45Å; L542-F770 HydrophobicContact CD2-CE1 3.66Å; E765-F770 HydrophobicContact CB-CB 4.17Å; E765-F770 PolarHBondContact O-N 2.82Å; F768-F770 HydrophobicContact CB-CD2 3.71Å; F768-F770 HydrophobicContact CB-CE2 3.91Å; F770-Y774 HydrophobicContact CB-CD1 4.46Å; F770-Y774 HydrophobicContact CB-CG 4.34Å; F770-Y774 AromaticContact CD1-CD1 3.38Å; F770-Y774 HydrophobicContact CD1-CD1 3.38Å; F770-Y774 HydrophobicContact CD1-CD2 4.41Å; F770-Y774 AromaticContact CD1-CE1 3.57Å; F770-Y774 HydrophobicContact CD1-CE1 3.57Å; F770-Y774 AromaticContact CD1-CG 3.84Å; F770-Y774 HydrophobicContact CD1-CG 3.84Å; F770-Y774 AromaticContact CE1-CD1 3.92Å; F770-Y774 HydrophobicContact CE1-CD1 3.92Å; F770-Y774 AromaticContact CE1-CE1 3.65Å; F770-Y774 HydrophobicContact CE1-CE1 3.65Å; F770-Y774 HydrophobicContact CG-CD1 4.15Å; F770-Y774 HydrophobicContact CG-CG 4.47Å; F770-L789 HydrophobicContact CD2-CD2 4.01Å; F770-L789 HydrophobicContact CE2-CD2 4.32Å; F770-S792 WeakPolarHBondContact CE2-OG 3.45Å; F770-V795 HydrophobicContact CD1-CG2 3.8Å; F770-V795 HydrophobicContact CD2-CG2 3.88Å; F770-V795 HydrophobicContact CE1-CG2 3.78Å; F770-V795 HydrophobicContact CE2-CG2 3.85Å; F770-V795 HydrophobicContact CG-CG2 3.84Å; F770-V795 HydrophobicContact CZ-CG2 3.79Å
771	P	94.4	Very high	94.3	Very high	55 Å²	55	35.1 Å²	35.1	36%	0.357	21%	0.21	S	C	.	.	P	Polyproline II helix	trans	-52.2	146	163.2	-25.1	34.7	0	0	0	111.7	L542 Y774	L542-P771 HydrophobicContact CD1-CG 4.36Å; P771-Y774 HydrophobicContact CG-CD2 4.38Å; P771-Y774 WeakPolarHBondContact O-CB 3.33Å; P771-Y774 PolarHBondContact O-N 3.04Å; P771-Y774 VanDerWaalsContact O-N 3.14Å
772	V	93.6	Very high	94.2	Very high	61 Å²	61	39.2 Å²	39.2	37%	0.37	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	138.4	176.2	-163	0	0	0	0	109.1	T762 R766 Y774	T762-V772 HydrophobicContact CG2-CG1 3.67Å; R766-V772 HydrophobicContact CG-CG2 4.02Å; V772-Y774 VanDerWaalsContact C-N 3.28Å; V772-Y774 PolarHBondContact O-N 3.07Å
773	H	95.6	Very high	94	Very high	98 Å²	98	40 Å²	40	45%	0.454	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.3	12.8	-171.9	-54	-81.4	0	0	0	115.5	R570 E765 T775 D776	R570-H773 PolarHBondContact NH2-O 3.49Å; E765-H773 WeakPolarHBondContact OE2-CA 3.47Å; E765-H773 PolarHBondContact OE2-N 3.39Å; H773-T775 VanDerWaalsContact C-N 3.28Å; H773-T775 PolarHBondContact O-N 3.29Å; H773-D776 HydrophobicContact CB-CB 3.74Å; H773-D776 IonicContact CE1-OD2 2.78Å; H773-D776 IonicContact CG-OD2 3.72Å; H773-D776 IonicContact ND1-OD2 3.87Å; H773-D776 PolarHBondContact ND1-OD2 3.08Å; H773-D776 WeakPolarHBondContact O-CB 3.44Å; H773-D776 PolarHBondContact O-N 3.38Å
774	Y	97.1	Very high	93.9	Very high	6 Å²	6	40.6 Å²	40.6	2%	0.024	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-38.9	179.7	-175	-97.8	0	0	0	113.3	I537 L542 V566 R570 H571 E765 F770 P771 V772	I537-Y774 HydrophobicContact CB-CE1 4.08Å; I537-Y774 HydrophobicContact CD1-CD1 4.24Å; I537-Y774 HydrophobicContact CD1-CE1 4.06Å; I537-Y774 HydrophobicContact CG1-CE1 4.15Å; I537-Y774 VanDerWaalsContact O-CE1 3.32Å; I537-Y774 WeakPolarHBondContact O-CE1 3.49Å; I537-Y774 PolarHBondContact O-OH 2.91Å; L542-Y774 HydrophobicContact CD1-CE2 4.13Å; L542-Y774 HydrophobicContact CD2-CD2 4.43Å; L542-Y774 HydrophobicContact CD2-CE2 3.94Å; L542-Y774 HydrophobicContact CG-CE2 4.47Å; V566-Y774 HydrophobicContact CG1-CD1 4.02Å; V566-Y774 HydrophobicContact CG1-CE1 3.65Å; R570-Y774 HydrophobicContact CB-CD2 4.26Å; R570-Y774 HydrophobicContact CB-CE2 3.74Å; R570-Y774 WeakPolarHBondContact CD-O 3.33Å; R570-Y774 HydrophobicContact CG-CD2 3.91Å; R570-Y774 HydrophobicContact CG-CE2 3.85Å; R570-Y774 HydrophobicContact CG-CG 4.41Å; R570-Y774 WeakPolarHBondContact CG-O 3.46Å; R570-Y774 PolarHBondContact NE-O 2.71Å; H571-Y774 AromaticContact NE2-CZ 3.94Å; H571-Y774 PolarHBondContact NE2-OH 3.37Å; E765-Y774 PolarHBondContact OE1-N 2.93Å; F770-Y774 HydrophobicContact CB-CD1 4.46Å; F770-Y774 HydrophobicContact CB-CG 4.34Å; F770-Y774 AromaticContact CD1-CD1 3.38Å; F770-Y774 HydrophobicContact CD1-CD1 3.38Å; F770-Y774 HydrophobicContact CD1-CD2 4.41Å; F770-Y774 AromaticContact CD1-CE1 3.57Å; F770-Y774 HydrophobicContact CD1-CE1 3.57Å; F770-Y774 AromaticContact CD1-CG 3.84Å; F770-Y774 HydrophobicContact CD1-CG 3.84Å; F770-Y774 AromaticContact CE1-CD1 3.92Å; F770-Y774 HydrophobicContact CE1-CD1 3.92Å; F770-Y774 AromaticContact CE1-CE1 3.65Å; F770-Y774 HydrophobicContact CE1-CE1 3.65Å; F770-Y774 HydrophobicContact CG-CD1 4.15Å; F770-Y774 HydrophobicContact CG-CG 4.47Å; P771-Y774 HydrophobicContact CG-CD2 4.38Å; P771-Y774 WeakPolarHBondContact O-CB 3.33Å; P771-Y774 PolarHBondContact O-N 3.04Å; P771-Y774 VanDerWaalsContact O-N 3.14Å; V772-Y774 VanDerWaalsContact C-N 3.28Å; V772-Y774 PolarHBondContact O-N 3.07Å
775	T	96.8	Very high	93.9	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	7.8	176.5	65.6	0	0	0	0	114.2	I537 E765 H773 V777 R785 L789	I537-T775 HydrophobicContact CD1-CG2 3.9Å; E765-T775 WeakPolarHBondContact OE1-CB 3.38Å; E765-T775 PolarHBondContact OE1-N 3.05Å; E765-T775 PolarHBondContact OE1-OG1 3.45Å; H773-T775 VanDerWaalsContact C-N 3.28Å; H773-T775 PolarHBondContact O-N 3.29Å; T775-V777 PolarHBondContact O-N 3.45Å; T775-R785 WeakPolarHBondContact O-CD 3.49Å; T775-R785 WeakPolarHBondContact O-CG 3.35Å; T775-R785 PolarHBondContact O-NE 3.35Å; T775-R785 PolarHBondContact OG1-NE 2.98Å; T775-L789 HydrophobicContact CG2-CD1 4.5Å; T775-L789 HydrophobicContact CG2-CD2 3.79Å; T775-L789 HydrophobicContact CG2-CG 3.96Å
776	D	95.6	Very high	93.8	Very high	69 Å²	69	41.5 Å²	41.5	37%	0.369	24%	0.244	S	C	.	.			trans	-82.7	76.1	-179.7	-127.7	-31.6	0	0	0	110.5	R570 H773 R785	R570-D776 PolarHBondContact NH2-O 3.46Å; H773-D776 HydrophobicContact CB-CB 3.74Å; H773-D776 IonicContact CE1-OD2 2.78Å; H773-D776 IonicContact CG-OD2 3.72Å; H773-D776 IonicContact ND1-OD2 3.87Å; H773-D776 PolarHBondContact ND1-OD2 3.08Å; H773-D776 WeakPolarHBondContact O-CB 3.44Å; H773-D776 PolarHBondContact O-N 3.38Å; D776-R785 IonicContact OD1-CZ 3.45Å; D776-R785 IonicContact OD1-NH1 3.41Å; D776-R785 PolarHBondContact OD1-NH1 3.03Å; D776-R785 IonicContact OD2-CZ 2.68Å; D776-R785 VanDerWaalsContact OD2-CZ 3.29Å; D776-R785 IonicContact OD2-NH1 3.6Å; D776-R785 PolarHBondContact OD2-NH1 3.25Å; D776-R785 IonicContact OD2-NH2 3.2Å; D776-R785 PolarHBondContact OD2-NH2 3.34Å
777	V	92.9	Very high	93.7	Very high	13 Å²	13	44.7 Å²	44.7	8%	0.079	26%	0.256	C	S	.	.			trans	-142.1	164.3	179.8	-50.5	0	0	0	0	110.7	V566 V569 T775 N779 M780	V566-V777 HydrophobicContact CB-CG2 4.38Å; V566-V777 HydrophobicContact CG2-CG2 3.58Å; V569-V777 HydrophobicContact CB-CG1 3.98Å; V569-V777 HydrophobicContact CG1-CB 4.42Å; V569-V777 HydrophobicContact CG1-CG1 3.69Å; T775-V777 PolarHBondContact O-N 3.45Å; V777-N779 PolarHBondContact O-N 3.31Å; V777-M780 HydrophobicContact CG2-CE 3.43Å; V777-M780 VanDerWaalsContact CG2-CE 3.43Å; V777-M780 PolarHBondContact O-N 3.19Å
778	S	90.2	Very high	93.8	Very high	78 Å²	78	44.8 Å²	44.8	55%	0.545	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.4	28.3	170.6	-53.2	0	0	0	0	115.7	S565 M780	S565-S778 WeakPolarHBondContact CB-OG 3.45Å; S565-S778 PolarHBondContact OG-OG 3.16Å; S778-M780 PolarHBondContact O-N 3.09Å; S778-M780 VanDerWaalsContact O-N 3.1Å
779	N	90.9	Very high	93.8	Very high	171 Å²	171	44.6 Å²	44.6	91%	0.914	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	28.6	-174.3	-64.1	-29.4	0	0	0	114.4	V777 G781	V777-N779 PolarHBondContact O-N 3.31Å; N779-G781 PolarHBondContact O-N 3.15Å; N779-G781 VanDerWaalsContact O-N 3.14Å
780	M	92.8	Very high	93.8	Very high	21 Å²	21	43.9 Å²	43.9	10%	0.103	25%	0.248	C	C	.	.			trans	-61.3	115.6	-177.8	-84.3	-166.1	-81.5	0	0	112.7	D562 V566 V777 S778 A784 R785 L788	D562-M780 HydrophobicContact CB-SD 3.74Å; V566-M780 HydrophobicContact CG2-CE 3.61Å; V777-M780 HydrophobicContact CG2-CE 3.43Å; V777-M780 VanDerWaalsContact CG2-CE 3.43Å; V777-M780 PolarHBondContact O-N 3.19Å; S778-M780 PolarHBondContact O-N 3.09Å; S778-M780 VanDerWaalsContact O-N 3.1Å; M780-A784 HydrophobicContact CB-CB 4.19Å; M780-A784 HydrophobicContact CG-CB 4.2Å; M780-A784 HydrophobicContact SD-CB 4.05Å; M780-R785 HydrophobicContact CB-CG 3.94Å; M780-R785 WeakPolarHBondContact O-CD 3.27Å; M780-L788 HydrophobicContact CE-CD1 3.68Å; M780-L788 HydrophobicContact SD-CD1 3.65Å
781	G	92.8	Very high	93.7	Very high	50 Å²	50	49.9 Å²	49.9	52%	0.515	27%	0.271	S	S	.	.			trans	-58.2	150.7	173.4	0	0	0	0	0	112.9	N779 G783 A784 R785	N779-G781 PolarHBondContact O-N 3.15Å; N779-G781 VanDerWaalsContact O-N 3.14Å; G781-G783 PolarHBondContact O-N 2.87Å; G781-A784 WeakPolarHBondContact O-CB 3.47Å; G781-A784 PolarHBondContact O-N 3.13Å; G781-R785 PolarHBondContact O-N 3.42Å
782	R	91.4	Very high	93.7	Very high	99 Å²	99	47.6 Å²	47.6	37%	0.374	26%	0.256	S	S	.	.	H	α-helix	trans	-42.6	-38.4	-175.4	179.4	173.4	179.2	-75.8	-12.7	114.9	L759 Q786	L759-R782 PolarHBondContact O-NH2 2.96Å; R782-Q786 PolarHBondContact O-N 2.97Å
783	G	91.3	Very high	93.9	Very high	36 Å²	36	45.7 Å²	45.7	37%	0.371	24%	0.242	S	C	.	.	H	α-helix	trans	-66.3	-34.5	178.1	0	0	0	0	0	114.5	G781 R787	G781-G783 PolarHBondContact O-N 2.87Å; G783-R787 WeakPolarHBondContact O-CG 3.36Å; G783-R787 PolarHBondContact O-N 3.04Å
784	A	93.5	Very high	93.8	Very high	12 Å²	12	41.5 Å²	41.5	10%	0.099	22%	0.224	C	C	.	.	H	α-helix	trans	-69.9	-51.7	174.7	0	0	0	0	0	110.9	M780 G781 Q786 R787 L788	M780-A784 HydrophobicContact CB-CB 4.19Å; M780-A784 HydrophobicContact CG-CB 4.2Å; M780-A784 HydrophobicContact SD-CB 4.05Å; G781-A784 WeakPolarHBondContact O-CB 3.47Å; G781-A784 PolarHBondContact O-N 3.13Å; A784-Q786 VanDerWaalsContact C-N 3.3Å; A784-Q786 PolarHBondContact O-N 2.8Å; A784-R787 WeakPolarHBondContact O-CA 3.49Å; A784-R787 WeakPolarHBondContact O-CB 3.38Å; A784-R787 PolarHBondContact O-N 2.63Å; A784-L788 PolarHBondContact O-N 2.76Å
785	R	95	Very high	93.7	Very high	19 Å²	19	41.2 Å²	41.2	7%	0.072	22%	0.223	C	C	.	.	H	α-helix	trans	-54.2	-42.7	175.9	-67.5	178.8	63.9	-179.4	6.2	112.6	E765 T775 D776 M780 G781 R787 L788 L789	E765-R785 IonicContact OE1-CZ 2.89Å; E765-R785 IonicContact OE1-NE 2.62Å; E765-R785 IonicContact OE1-NH2 2.74Å; E765-R785 PolarHBondContact OE1-NH2 3.13Å; E765-R785 IonicContact OE2-NH2 2.81Å; T775-R785 WeakPolarHBondContact O-CD 3.49Å; T775-R785 WeakPolarHBondContact O-CG 3.35Å; T775-R785 PolarHBondContact O-NE 3.35Å; T775-R785 PolarHBondContact OG1-NE 2.98Å; D776-R785 IonicContact OD1-CZ 3.45Å; D776-R785 IonicContact OD1-NH1 3.41Å; D776-R785 PolarHBondContact OD1-NH1 3.03Å; D776-R785 IonicContact OD2-CZ 2.68Å; D776-R785 VanDerWaalsContact OD2-CZ 3.29Å; D776-R785 IonicContact OD2-NH1 3.6Å; D776-R785 PolarHBondContact OD2-NH1 3.25Å; D776-R785 IonicContact OD2-NH2 3.2Å; D776-R785 PolarHBondContact OD2-NH2 3.34Å; M780-R785 HydrophobicContact CB-CG 3.94Å; M780-R785 WeakPolarHBondContact O-CD 3.27Å; G781-R785 PolarHBondContact O-N 3.42Å; R785-R787 PolarHBondContact O-N 3.24Å; R785-L788 PolarHBondContact O-N 3.06Å; R785-L789 WeakPolarHBondContact O-CG 3.41Å; R785-L789 PolarHBondContact O-N 2.88Å
786	Q	93.1	Very high	93.4	Very high	3 Å²	3	41.6 Å²	41.6	1%	0.014	23%	0.225	C	C	.	.	H	α-helix	trans	-62.7	-39.4	173.3	-179.8	174.9	-9	0	0	112.9	T734 R736 L764 R782 A784 G790	T734-Q786 PolarHBondContact O-NE2 3.28Å; R736-Q786 PolarHBondContact O-NE2 3.46Å; L764-Q786 HydrophobicContact CD1-CB 4.49Å; L764-Q786 HydrophobicContact CD1-CG 4.37Å; R782-Q786 PolarHBondContact O-N 2.97Å; A784-Q786 VanDerWaalsContact C-N 3.3Å; A784-Q786 PolarHBondContact O-N 2.8Å; Q786-G790 PolarHBondContact O-N 2.7Å
787	R	94	Very high	93.2	Very high	109 Å²	109	38.7 Å²	38.7	41%	0.411	21%	0.21	S	C	.	.	H	α-helix	trans	-64.7	-39.8	177	-71.3	-179.6	-50	-119.4	7.7	111.8	D562 G783 A784 R785 R791	D562-R787 IonicContact OD2-NH2 2.7Å; G783-R787 WeakPolarHBondContact O-CG 3.36Å; G783-R787 PolarHBondContact O-N 3.04Å; A784-R787 WeakPolarHBondContact O-CA 3.49Å; A784-R787 WeakPolarHBondContact O-CB 3.38Å; A784-R787 PolarHBondContact O-N 2.63Å; R785-R787 PolarHBondContact O-N 3.24Å; R787-R791 VanDerWaalsContact O-CG 3.32Å; R787-R791 WeakPolarHBondContact O-CG 3.47Å; R787-R791 PolarHBondContact O-N 3.35Å
788	L	95.5	Very high	93.3	Very high	4 Å²	4	38 Å²	38	2%	0.021	21%	0.206	C	C	.	.	H	α-helix	trans	-63.3	-55.2	176.6	-65.2	-176.6	0	0	0	111.5	I537 D562 S563 V566 M780 A784 R785 G790 R791 S792	I537-L788 HydrophobicContact CG2-CB 3.82Å; I537-L788 HydrophobicContact CG2-CD1 3.81Å; I537-L788 HydrophobicContact CG2-CD2 4.16Å; I537-L788 HydrophobicContact CG2-CG 4.16Å; D562-L788 HydrophobicContact CB-CD1 4.18Å; D562-L788 HydrophobicContact CB-CD2 3.95Å; D562-L788 HydrophobicContact CB-CG 4.4Å; S563-L788 WeakPolarHBondContact OG-CD2 3.36Å; V566-L788 HydrophobicContact CG2-CD1 3.93Å; M780-L788 HydrophobicContact CE-CD1 3.68Å; M780-L788 HydrophobicContact SD-CD1 3.65Å; A784-L788 PolarHBondContact O-N 2.76Å; R785-L788 PolarHBondContact O-N 3.06Å; L788-G790 VanDerWaalsContact C-N 3.31Å; L788-G790 PolarHBondContact O-N 3.45Å; L788-R791 WeakPolarHBondContact O-CB 3.45Å; L788-R791 PolarHBondContact O-N 2.73Å; L788-S792 PolarHBondContact O-N 2.62Å
789	L	95.1	Very high	93.3	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.01	19%	0.19	C	C	.	.	H	α-helix	trans	-57.6	-44.4	177.8	-67.1	165.7	0	0	0	111.2	I537 L764 E765 F768 F770 T775 R785 R791 S792	I537-L789 HydrophobicContact CD1-CD2 4.19Å; L764-L789 HydrophobicContact CB-CD1 3.73Å; E765-L789 HydrophobicContact CG-CD1 3.97Å; E765-L789 HydrophobicContact CG-CD2 3.94Å; F768-L789 WeakPolarHBondContact CD1-O 3.3Å; F768-L789 WeakPolarHBondContact CE1-O 3.34Å; F770-L789 HydrophobicContact CD2-CD2 4.01Å; F770-L789 HydrophobicContact CE2-CD2 4.32Å; T775-L789 HydrophobicContact CG2-CD1 4.5Å; T775-L789 HydrophobicContact CG2-CD2 3.79Å; T775-L789 HydrophobicContact CG2-CG 3.96Å; R785-L789 WeakPolarHBondContact O-CG 3.41Å; R785-L789 PolarHBondContact O-N 2.88Å; L789-R791 PolarHBondContact O-N 2.79Å; L789-R791 VanDerWaalsContact O-N 3.1Å; L789-S792 PolarHBondContact O-N 2.85Å; L789-S792 PolarHBondContact O-OG 2.92Å
790	G	92.2	Very high	93.2	Very high	7 Å²	7	30.1 Å²	30.1	7%	0.072	15%	0.153	C	C	.	.	H	α-helix	trans	-58.4	-25.1	177.2	0	0	0	0	0	114.9	R684 Q786 L788	R684-G790 PolarHBondContact NH2-O 3.4Å; Q786-G790 PolarHBondContact O-N 2.7Å; L788-G790 VanDerWaalsContact C-N 3.31Å; L788-G790 PolarHBondContact O-N 3.45Å
791	R	93.6	Very high	93	Very high	134 Å²	134	29.4 Å²	29.4	51%	0.506	15%	0.149	S	C	.	.	H	α-helix	trans	-91.6	-40.2	176.8	-71.5	170.5	179.2	173	-1.4	113.7	T735 R787 L788 L789	T735-R791 HydrophobicContact CG2-CG 3.73Å; R787-R791 VanDerWaalsContact O-CG 3.32Å; R787-R791 WeakPolarHBondContact O-CG 3.47Å; R787-R791 PolarHBondContact O-N 3.35Å; L788-R791 WeakPolarHBondContact O-CB 3.45Å; L788-R791 PolarHBondContact O-N 2.73Å; L789-R791 PolarHBondContact O-N 2.79Å; L789-R791 VanDerWaalsContact O-N 3.1Å
792	S	95.6	Very high	93.1	Very high	8 Å²	8	27 Å²	27	6%	0.056	13%	0.125	C	C	.	.	S	Bend	trans	-54	169.6	-174.5	75.3	0	0	0	0	113.4	R684 F770 L788 L789	R684-S792 PolarHBondContact NH1-O 2.89Å; R684-S792 PolarHBondContact NH2-O 2.99Å; F770-S792 WeakPolarHBondContact CE2-OG 3.45Å; L788-S792 PolarHBondContact O-N 2.62Å; L789-S792 PolarHBondContact O-N 2.85Å; L789-S792 PolarHBondContact O-OG 2.92Å
793	W	96.1	Very high	93.1	Very high	21 Å²	21	22.5 Å²	22.5	8%	0.08	11%	0.108	C	C	.	.			trans	-75.6	179.4	168.7	-63.5	-35.2	0	0	0	112.8	T539 I599 M648 E650 R684 I798	T539-W793 HydrophobicContact CG2-CB 4Å; I599-W793 HydrophobicContact CB-CH2 4.13Å; I599-W793 HydrophobicContact CD1-CH2 4.38Å; I599-W793 HydrophobicContact CD1-CZ3 4.23Å; I599-W793 HydrophobicContact CG1-CH2 4.41Å; M648-W793 HydrophobicContact CE-CE3 4.37Å; M648-W793 HydrophobicContact CE-CH2 3.56Å; M648-W793 HydrophobicContact CE-CZ2 3.85Å; M648-W793 HydrophobicContact CE-CZ3 3.84Å; E650-W793 HydrophobicContact CB-CZ2 4.22Å; E650-W793 VanDerWaalsContact CD-NE1 3.33Å; E650-W793 PolarHBondContact OE2-NE1 2.76Å; R684-W793 VanDerWaalsContact NH1-C 3.27Å; R684-W793 PolarHBondContact NH1-O 3.21Å; W793-I798 HydrophobicContact CB-CD1 3.87Å; W793-I798 HydrophobicContact CB-CG1 3.51Å; W793-I798 HydrophobicContact CD2-CD1 3.8Å; W793-I798 HydrophobicContact CD2-CG1 4.04Å; W793-I798 HydrophobicContact CE3-CD1 3.8Å; W793-I798 HydrophobicContact CE3-CG1 3.78Å; W793-I798 HydrophobicContact CE3-CG2 4.34Å; W793-I798 HydrophobicContact CG-CD1 3.86Å; W793-I798 HydrophobicContact CG-CG1 3.99Å
794	S	94.9	Very high	93	Very high	10 Å²	10	21 Å²	21	7%	0.07	9%	0.092	C	C	.	.			trans	-96	118.3	166.2	175.1	0	0	0	0	108	V797 I798	S794-V797 PolarHBondContact O-N 2.71Å; S794-V797 VanDerWaalsContact O-N 3.12Å; S794-I798 PolarHBondContact O-N 3.46Å; S794-I798 VanDerWaalsContact O-N 3.16Å
795	V	94.9	Very high	93	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-52	-50.8	-175.1	177.3	0	0	0	0	112.8	T539 L542 V543 F768 G769 F770 V797 I798 R799	T539-V795 HydrophobicContact CG2-CG2 4.22Å; L542-V795 HydrophobicContact CD2-CG2 4.01Å; V543-V795 HydrophobicContact CG2-CG1 3.96Å; F768-V795 PolarHBondContact O-N 2.63Å; G769-V795 WeakPolarHBondContact O-CB 3.37Å; G769-V795 WeakPolarHBondContact O-CG1 3.35Å; F770-V795 HydrophobicContact CD1-CG2 3.8Å; F770-V795 HydrophobicContact CD2-CG2 3.88Å; F770-V795 HydrophobicContact CE1-CG2 3.78Å; F770-V795 HydrophobicContact CE2-CG2 3.85Å; F770-V795 HydrophobicContact CG-CG2 3.84Å; F770-V795 HydrophobicContact CZ-CG2 3.79Å; V795-V797 VanDerWaalsContact C-N 3.31Å; V795-V797 PolarHBondContact O-N 2.65Å; V795-I798 PolarHBondContact O-N 3.49Å; V795-R799 WeakPolarHBondContact O-CB 3.33Å; V795-R799 PolarHBondContact O-N 3.4Å
796	P	90.8	Very high	92.8	Very high	7 Å²	7	19.6 Å²	19.6	5%	0.045	8%	0.084	C	C	.	.	H	α-helix	trans	-64.6	-30.1	-180	23.5	-35.1	0	0	0	114.2	V679 D711 H800	V679-P796 HydrophobicContact CB-CB 4.13Å; V679-P796 HydrophobicContact CB-CG 4.41Å; V679-P796 HydrophobicContact CG2-CB 3.96Å; V679-P796 HydrophobicContact CG2-CG 3.98Å; V679-P796 WeakPolarHBondContact O-CG 3.48Å; D711-P796 WeakPolarHBondContact OD1-CB 3.29Å; P796-H800 WeakPolarHBondContact O-CB 3.36Å; P796-H800 PolarHBondContact O-N 3.25Å
797	V	91.3	Very high	92.7	Very high	8 Å²	8	19.5 Å²	19.5	5%	0.048	8%	0.084	C	C	.	.	H	α-helix	trans	-66.5	-46.3	174.6	173.2	0	0	0	0	110.6	I674 A676 V679 F688 S794 V795 H800 L801	I674-V797 HydrophobicContact CB-CG1 4.44Å; I674-V797 HydrophobicContact CD1-CG1 4.2Å; I674-V797 HydrophobicContact CG2-CG1 3.76Å; I674-V797 HydrophobicContact CG2-CG2 4.09Å; A676-V797 HydrophobicContact CB-CG2 3.85Å; V679-V797 HydrophobicContact CG2-CG2 3.82Å; F688-V797 HydrophobicContact CE2-CG1 3.94Å; F688-V797 HydrophobicContact CZ-CG1 3.73Å; S794-V797 PolarHBondContact O-N 2.71Å; S794-V797 VanDerWaalsContact O-N 3.12Å; V795-V797 VanDerWaalsContact C-N 3.31Å; V795-V797 PolarHBondContact O-N 2.65Å; V797-H800 PolarHBondContact O-N 2.83Å; V797-L801 HydrophobicContact CG1-CD1 4.3Å; V797-L801 WeakPolarHBondContact O-CG 3.38Å; V797-L801 PolarHBondContact O-N 3.39Å; V797-L801 VanDerWaalsContact O-N 3.12Å
798	I	94.6	Very high	92.7	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-69.9	-36.7	178.6	-53.2	-56.2	0	0	0	110.9	V543 M648 F688 W793 S794 V795 H800 L801 F802	V543-I798 HydrophobicContact CB-CG2 4.12Å; V543-I798 HydrophobicContact CG1-CG2 4.09Å; V543-I798 HydrophobicContact CG2-CB 4Å; V543-I798 HydrophobicContact CG2-CG2 4.03Å; M648-I798 HydrophobicContact CE-CD1 4.11Å; M648-I798 HydrophobicContact SD-CD1 4.39Å; F688-I798 HydrophobicContact CE1-CD1 3.76Å; F688-I798 HydrophobicContact CZ-CD1 4.16Å; W793-I798 HydrophobicContact CB-CD1 3.87Å; W793-I798 HydrophobicContact CB-CG1 3.51Å; W793-I798 HydrophobicContact CD2-CD1 3.8Å; W793-I798 HydrophobicContact CD2-CG1 4.04Å; W793-I798 HydrophobicContact CE3-CD1 3.8Å; W793-I798 HydrophobicContact CE3-CG1 3.78Å; W793-I798 HydrophobicContact CE3-CG2 4.34Å; W793-I798 HydrophobicContact CG-CD1 3.86Å; W793-I798 HydrophobicContact CG-CG1 3.99Å; S794-I798 PolarHBondContact O-N 3.46Å; S794-I798 VanDerWaalsContact O-N 3.16Å; V795-I798 PolarHBondContact O-N 3.49Å; I798-H800 VanDerWaalsContact C-N 3.31Å; I798-H800 PolarHBondContact O-N 3.06Å; I798-L801 HydrophobicContact CD1-CD1 4.44Å; I798-L801 PolarHBondContact O-N 3.44Å; I798-L801 VanDerWaalsContact O-N 3.15Å; I798-F802 HydrophobicContact CG2-CD1 4.13Å; I798-F802 HydrophobicContact CG2-CD2 3.86Å; I798-F802 HydrophobicContact CG2-CE1 3.88Å; I798-F802 HydrophobicContact CG2-CE2 3.6Å; I798-F802 HydrophobicContact CG2-CG 4.11Å; I798-F802 HydrophobicContact CG2-CZ 3.6Å; I798-F802 PolarHBondContact O-N 2.89Å
799	R	90.8	Very high	92.7	Very high	53 Å²	53	15.3 Å²	15.3	20%	0.2	7%	0.068	C	C	.	.	H	α-helix	trans	-57	-44.1	172.4	-168.5	-169	-65.7	133.4	-3.9	111.4	V543 L547 D711 V795 A803	V543-R799 VanDerWaalsContact CG1-CA 3.47Å; V543-R799 HydrophobicContact CG1-CB 4.09Å; L547-R799 HydrophobicContact CD1-CG 4.35Å; L547-R799 HydrophobicContact CD2-CG 3.85Å; L547-R799 HydrophobicContact CG-CG 4.08Å; D711-R799 IonicContact OD1-NH1 2.77Å; D711-R799 PolarHBondContact OD1-NH1 3.34Å; D711-R799 VanDerWaalsContact OD1-NH1 3.15Å; V795-R799 WeakPolarHBondContact O-CB 3.33Å; V795-R799 PolarHBondContact O-N 3.4Å; R799-A803 VanDerWaalsContact O-CB 3.32Å; R799-A803 WeakPolarHBondContact O-CB 3.22Å; R799-A803 PolarHBondContact O-N 2.67Å; R799-A803 VanDerWaalsContact O-N 3.08Å
800	H	87.1	Confident	92.7	Very high	29 Å²	29	15.3 Å²	15.3	13%	0.134	7%	0.069	C	C	.	.	H	α-helix	trans	-64.3	-39.8	176.2	-172.4	100.9	0	0	0	112.7	R703 P796 V797 I798	R703-H800 WeakPolarHBondContact CD-NE2 3.43Å; P796-H800 WeakPolarHBondContact O-CB 3.36Å; P796-H800 PolarHBondContact O-N 3.25Å; V797-H800 PolarHBondContact O-N 2.83Å; I798-H800 VanDerWaalsContact C-N 3.31Å; I798-H800 PolarHBondContact O-N 3.06Å
801	L	90.6	Very high	92.6	Very high	6 Å²	6	15.2 Å²	15.2	3%	0.031	7%	0.067	C	C	.	.	H	α-helix	trans	-74	-35.7	-179.7	-71.1	176.9	0	0	0	113.6	M648 I674 F688 L692 M695 V797 I798 P804	M648-L801 HydrophobicContact SD-CD1 3.81Å; I674-L801 HydrophobicContact CD1-CD1 4.07Å; I674-L801 HydrophobicContact CD1-CD2 3.97Å; I674-L801 HydrophobicContact CD1-CG 4.28Å; F688-L801 HydrophobicContact CD1-CD1 3.63Å; F688-L801 HydrophobicContact CE1-CD1 3.72Å; F688-L801 HydrophobicContact CG-CD1 4.04Å; F688-L801 HydrophobicContact CZ-CD1 4.21Å; L692-L801 HydrophobicContact CD1-CB 3.99Å; M695-L801 HydrophobicContact CB-CD2 4.31Å; M695-L801 HydrophobicContact CG-CD2 3.78Å; M695-L801 HydrophobicContact SD-CD1 4.45Å; M695-L801 HydrophobicContact SD-CD2 3.72Å; V797-L801 HydrophobicContact CG1-CD1 4.3Å; V797-L801 WeakPolarHBondContact O-CG 3.38Å; V797-L801 PolarHBondContact O-N 3.39Å; V797-L801 VanDerWaalsContact O-N 3.12Å; I798-L801 HydrophobicContact CD1-CD1 4.44Å; I798-L801 PolarHBondContact O-N 3.44Å; I798-L801 VanDerWaalsContact O-N 3.15Å; L801-P804 WeakPolarHBondContact O-CD 3.46Å
802	F	94.4	Very high	92	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-86	-19.4	-179.7	-70.2	4	0	0	0	113.1	V543 L544 L547 L597 I599 M648 L692 I798 P804 L805	V543-F802 HydrophobicContact CB-CD2 4.33Å; V543-F802 HydrophobicContact CG1-CB 4.25Å; V543-F802 HydrophobicContact CG1-CD2 3.83Å; V543-F802 HydrophobicContact CG1-CG 4.35Å; L544-F802 HydrophobicContact CD2-CD2 3.85Å; L544-F802 HydrophobicContact CD2-CE2 4.35Å; L544-F802 HydrophobicContact CG-CD2 4.04Å; L544-F802 HydrophobicContact CG-CE2 4.21Å; L547-F802 HydrophobicContact CD1-CB 3.83Å; L597-F802 HydrophobicContact CD2-CE2 4.5Å; L597-F802 HydrophobicContact CD2-CZ 4.43Å; I599-F802 HydrophobicContact CD1-CE2 4.4Å; I599-F802 HydrophobicContact CD1-CZ 3.99Å; I599-F802 HydrophobicContact CG2-CE1 4.29Å; I599-F802 HydrophobicContact CG2-CZ 4Å; M648-F802 HydrophobicContact CE-CE1 4.08Å; M648-F802 HydrophobicContact CE-CZ 4.31Å; M648-F802 HydrophobicContact SD-CE1 4Å; L692-F802 HydrophobicContact CD1-CD1 4.21Å; L692-F802 HydrophobicContact CD1-CE1 4.35Å; I798-F802 HydrophobicContact CG2-CD1 4.13Å; I798-F802 HydrophobicContact CG2-CD2 3.86Å; I798-F802 HydrophobicContact CG2-CE1 3.88Å; I798-F802 HydrophobicContact CG2-CE2 3.6Å; I798-F802 HydrophobicContact CG2-CG 4.11Å; I798-F802 HydrophobicContact CG2-CZ 3.6Å; I798-F802 PolarHBondContact O-N 2.89Å; F802-P804 VanDerWaalsContact C-CD 3.45Å; F802-L805 HydrophobicContact CB-CD1 4.35Å; F802-L805 HydrophobicContact CD1-CD1 4.44Å; F802-L805 HydrophobicContact CG-CD1 4.42Å; F802-L805 VanDerWaalsContact O-CB 3.25Å; F802-L805 WeakPolarHBondContact O-CB 3.42Å; F802-L805 WeakPolarHBondContact O-CG 3.47Å; F802-L805 PolarHBondContact O-N 2.69Å
803	A	90.1	Very high	91.8	Very high	4 Å²	4	18.1 Å²	18.1	3%	0.033	9%	0.085	C	C	.	.	G	3₁₀ helix	trans	-50.5	-41.1	-179.2	0	0	0	0	0	115.4	Y422 R799 L805 K806	Y422-A803 HydrophobicContact CD2-CB 3.87Å; Y422-A803 HydrophobicContact CE2-CB 3.95Å; R799-A803 VanDerWaalsContact O-CB 3.32Å; R799-A803 WeakPolarHBondContact O-CB 3.22Å; R799-A803 PolarHBondContact O-N 2.67Å; R799-A803 VanDerWaalsContact O-N 3.08Å; A803-L805 PolarHBondContact O-N 2.79Å; A803-K806 WeakPolarHBondContact O-CB 3.41Å; A803-K806 WeakPolarHBondContact O-CG 3.48Å; A803-K806 PolarHBondContact O-N 2.99Å
804	P	89.6	Confident	91.6	Very high	5 Å²	5	17.9 Å²	17.9	3%	0.032	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-65.8	-18.5	177.6	-22.7	36	0	0	0	114.7	Y420 P693 L801 F802 K806 D807 Y808	Y420-P804 HydrophobicContact CD1-CB 4.36Å; Y420-P804 HydrophobicContact CD2-CB 4.38Å; Y420-P804 HydrophobicContact CD2-CG 4.11Å; Y420-P804 HydrophobicContact CE1-CB 4.33Å; Y420-P804 HydrophobicContact CE2-CB 4.33Å; Y420-P804 HydrophobicContact CE2-CG 4.46Å; Y420-P804 HydrophobicContact CG-CB 4.38Å; Y420-P804 HydrophobicContact CG-CG 4.19Å; P693-P804 HydrophobicContact CB-CB 4Å; P693-P804 HydrophobicContact CG-CB 4.38Å; P693-P804 WeakPolarHBondContact O-CG 3.23Å; L801-P804 WeakPolarHBondContact O-CD 3.46Å; F802-P804 VanDerWaalsContact C-CD 3.45Å; P804-K806 PolarHBondContact O-N 2.98Å; P804-K806 VanDerWaalsContact O-N 3.15Å; P804-D807 PolarHBondContact O-N 2.97Å; P804-Y808 WeakPolarHBondContact O-CD2 3.18Å
805	L	93.4	Very high	91.4	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-65.1	-16.2	176.9	-57.9	179.5	0	0	0	112.2	I528 F549 L597 F646 L692 F802 A803 D807 Y808 F809	I528-L805 HydrophobicContact CD1-CD1 4.47Å; F549-L805 HydrophobicContact CE1-CB 4.07Å; F549-L805 HydrophobicContact CZ-CB 3.68Å; L597-L805 HydrophobicContact CD1-CD1 4.35Å; L597-L805 HydrophobicContact CD2-CD1 4.03Å; F646-L805 HydrophobicContact CB-CD2 4.24Å; F646-L805 HydrophobicContact CD1-CD2 4.05Å; F646-L805 HydrophobicContact CD2-CD2 3.61Å; F646-L805 HydrophobicContact CE1-CD2 4.32Å; F646-L805 HydrophobicContact CE2-CD2 3.9Å; F646-L805 HydrophobicContact CG-CD2 3.67Å; F646-L805 HydrophobicContact CZ-CD2 4.25Å; L692-L805 HydrophobicContact CD2-CD1 4.06Å; L692-L805 HydrophobicContact CD2-CD2 3.88Å; L692-L805 HydrophobicContact CD2-CG 4.22Å; F802-L805 HydrophobicContact CB-CD1 4.35Å; F802-L805 HydrophobicContact CD1-CD1 4.44Å; F802-L805 HydrophobicContact CG-CD1 4.42Å; F802-L805 VanDerWaalsContact O-CB 3.25Å; F802-L805 WeakPolarHBondContact O-CB 3.42Å; F802-L805 WeakPolarHBondContact O-CG 3.47Å; F802-L805 PolarHBondContact O-N 2.69Å; A803-L805 PolarHBondContact O-N 2.79Å; L805-D807 PolarHBondContact O-N 3.47Å; L805-D807 VanDerWaalsContact O-N 3.16Å; L805-Y808 PolarHBondContact O-N 3.12Å; L805-F809 HydrophobicContact CB-CD2 4.13Å; L805-F809 HydrophobicContact CB-CE2 4.45Å; L805-F809 HydrophobicContact CD2-CE2 4.41Å; L805-F809 PolarHBondContact O-N 3.28Å; L805-F809 VanDerWaalsContact O-N 3.12Å
806	K	91.4	Very high	91.2	Very high	1 Å²	1	19.5 Å²	19.5	0%	0.004	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-61.9	-16.3	173	-73	-169.1	163.1	-176.9	0	113.9	Y422 G426 C449 R525 L547 F549 A803 P804 Y808	Y422-K806 HydrophobicContact CD1-CD 3.53Å; Y422-K806 HydrophobicContact CD2-CD 4.01Å; Y422-K806 HydrophobicContact CE1-CB 4.41Å; Y422-K806 HydrophobicContact CE1-CD 3.36Å; Y422-K806 HydrophobicContact CE1-CG 4.49Å; Y422-K806 HydrophobicContact CE2-CD 3.84Å; Y422-K806 HydrophobicContact CG-CD 3.88Å; G426-K806 PolarHBondContact O-NZ 3.08Å; C449-K806 HydrophobicContact CB-CD 4.42Å; R525-K806 PolarHBondContact NH1-O 3.15Å; L547-K806 WeakPolarHBondContact O-CE 3.23Å; L547-K806 PolarHBondContact O-NZ 2.82Å; F549-K806 HydrophobicContact CE1-CB 4.43Å; F549-K806 HydrophobicContact CE1-CG 3.86Å; F549-K806 HydrophobicContact CE2-CG 4.07Å; F549-K806 HydrophobicContact CZ-CB 4.26Å; F549-K806 HydrophobicContact CZ-CG 3.45Å; F549-K806 VanDerWaalsContact CZ-CG 3.45Å; A803-K806 WeakPolarHBondContact O-CB 3.41Å; A803-K806 WeakPolarHBondContact O-CG 3.48Å; A803-K806 PolarHBondContact O-N 2.99Å; P804-K806 PolarHBondContact O-N 2.98Å; P804-K806 VanDerWaalsContact O-N 3.15Å; K806-Y808 VanDerWaalsContact C-N 3.31Å
807	D	89.8	Confident	91.2	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.011	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-87.4	2.8	172.6	-95.4	-34.6	0	0	0	114.3	R450 A519 V520 R525 P804 L805	R450-D807 IonicContact CZ-OD1 4Å; R450-D807 IonicContact CZ-OD2 3.92Å; R450-D807 IonicContact NE-OD1 2.71Å; R450-D807 IonicContact NH2-OD1 3.64Å; R450-D807 PolarHBondContact NH2-OD1 2.89Å; R450-D807 IonicContact NH2-OD2 3.7Å; R450-D807 PolarHBondContact NH2-OD2 2.98Å; A519-D807 HydrophobicContact CB-CB 4.14Å; V520-D807 PolarHBondContact N-O 3.01Å; R525-D807 IonicContact CZ-OD1 2.7Å; R525-D807 IonicContact NH1-OD1 3.03Å; R525-D807 PolarHBondContact NH2-O 3.03Å; R525-D807 IonicContact NH2-OD1 2.77Å; R525-D807 PolarHBondContact NH2-OD1 2.74Å; P804-D807 PolarHBondContact O-N 2.97Å; L805-D807 PolarHBondContact O-N 3.47Å; L805-D807 VanDerWaalsContact O-N 3.16Å
808	Y	93.9	Very high	91.2	Very high	13 Å²	13	21.1 Å²	21.1	5%	0.051	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125	-37.7	-176.8	-57.6	-94.6	0	0	0	113.3	Y517 P518 V520 P644 F646 P693 P804 L805 K806	Y517-Y808 WeakPolarHBondContact O-CE1 3.33Å; Y517-Y808 PolarHBondContact O-OH 3.08Å; P518-Y808 WeakPolarHBondContact O-CE1 3.41Å; V520-Y808 HydrophobicContact CG2-CD1 4.26Å; P644-Y808 HydrophobicContact CB-CD1 4.17Å; P644-Y808 HydrophobicContact CG-CD1 4.37Å; F646-Y808 HydrophobicContact CE2-CD1 4.07Å; F646-Y808 HydrophobicContact CE2-CD2 4.36Å; F646-Y808 AromaticContact CE2-CG 3.97Å; F646-Y808 HydrophobicContact CE2-CG 3.97Å; F646-Y808 AromaticContact CZ-CD1 3.81Å; F646-Y808 HydrophobicContact CZ-CD1 3.81Å; F646-Y808 HydrophobicContact CZ-CD2 4.11Å; F646-Y808 AromaticContact CZ-CE1 3.84Å; F646-Y808 HydrophobicContact CZ-CE1 3.84Å; F646-Y808 HydrophobicContact CZ-CE2 4.17Å; F646-Y808 AromaticContact CZ-CG 3.95Å; F646-Y808 HydrophobicContact CZ-CG 3.95Å; P693-Y808 HydrophobicContact CG-CE2 3.91Å; P804-Y808 WeakPolarHBondContact O-CD2 3.18Å; L805-Y808 PolarHBondContact O-N 3.12Å; K806-Y808 VanDerWaalsContact C-N 3.31Å
809	F	96.4	Very high	91	Very high	11 Å²	11	22.6 Å²	22.6	5%	0.048	10%	0.104	C	C	.	.	B	Isolated β-bridge	trans	-115.1	161.1	-173.1	-56.1	-76.7	0	0	0	113.6	R526 I528 F549 D596 F646 L805	R526-F809 CarbonylContact O-C 3.57Å; R526-F809 WeakPolarHBondContact O-CA 3.32Å; I528-F809 HydrophobicContact CB-CB 4.04Å; I528-F809 HydrophobicContact CB-CD1 3.9Å; I528-F809 HydrophobicContact CB-CD2 4.41Å; I528-F809 HydrophobicContact CB-CG 3.84Å; I528-F809 HydrophobicContact CD1-CD1 4.48Å; I528-F809 HydrophobicContact CD1-CD2 3.71Å; I528-F809 HydrophobicContact CD1-CE2 3.89Å; I528-F809 HydrophobicContact CD1-CG 4.03Å; I528-F809 HydrophobicContact CD1-CZ 4.37Å; I528-F809 HydrophobicContact CG1-CD1 3.91Å; I528-F809 HydrophobicContact CG1-CD2 4.05Å; I528-F809 HydrophobicContact CG1-CE1 4.08Å; I528-F809 HydrophobicContact CG1-CE2 4.21Å; I528-F809 HydrophobicContact CG1-CG 3.9Å; I528-F809 HydrophobicContact CG1-CZ 4.24Å; F549-F809 HydrophobicContact CD1-CB 4.1Å; F549-F809 HydrophobicContact CE1-CB 4.15Å; D596-F809 HydrophobicContact CB-CE1 3.51Å; D596-F809 HydrophobicContact CB-CZ 3.63Å; F646-F809 AromaticContact CD2-CE2 3.78Å; F646-F809 HydrophobicContact CD2-CE2 3.78Å; F646-F809 AromaticContact CD2-CZ 4Å; F646-F809 HydrophobicContact CD2-CZ 4Å; F646-F809 AromaticContact CE2-CE2 3.81Å; F646-F809 HydrophobicContact CE2-CE2 3.81Å; F646-F809 HydrophobicContact CE2-CZ 4.06Å; L805-F809 HydrophobicContact CB-CD2 4.13Å; L805-F809 HydrophobicContact CB-CE2 4.45Å; L805-F809 HydrophobicContact CD2-CE2 4.41Å; L805-F809 PolarHBondContact O-N 3.28Å; L805-F809 VanDerWaalsContact O-N 3.12Å
810	A	94.9	Very high	91	Very high	3 Å²	3	20.2 Å²	20.2	3%	0.025	10%	0.097	C	C	.	.			trans	-68.2	140.8	-178.7	0	0	0	0	0	111.2	N447 R525 R526 P527 K550	N447-A810 WeakPolarHBondContact OD1-CA 3.42Å; N447-A810 WeakPolarHBondContact OD1-CB 3.34Å; R525-A810 HydrophobicContact CB-CB 4.45Å; R526-A810 VanDerWaalsContact C-CB 3.44Å; R526-A810 PolarHBondContact O-N 3.1Å; P527-A810 HydrophobicContact CG-CB 4.4Å; K550-A810 HydrophobicContact CB-CB 4.15Å; K550-A810 HydrophobicContact CD-CB 4.36Å; K550-A810 PolarHBondContact N-O 2.68Å
811	C	90.6	Very high	91.3	Very high	4 Å²	4	19.5 Å²	19.5	3%	0.027	9%	0.094	C	C	.	.	B	Isolated β-bridge	trans	-118.3	158.4	174.2	-61.3	0	0	0	0	108.8	N447 C449 G548 K550	N447-C811 PolarHBondContact OD1-N 3.35Å; N447-C811 PolarHBondContact OD1-O 3.36Å; N447-C811 VanDerWaalsContact OD1-O 3.12Å; C449-C811 VanDerWaalsContact SG-CB 3.53Å; C449-C811 VanDerWaalsContact SG-SG 3.6Å; G548-C811 CarbonylContact O-C 3.54Å; G548-C811 WeakPolarHBondContact O-CA 2.91Å; G548-C811 VanDerWaalsContact O-CB 3.3Å; G548-C811 WeakPolarHBondContact O-CB 3.45Å; K550-C811 PolarHBondContact NZ-O 3.12Å
812	E	80.8	Confident	91.4	Very high	185 Å²	185	20.7 Å²	20.7	86%	0.864	10%	0.1	S	C	*	.			trans	-56.7	0	-175.2	-64.1	-159.2	136.5	0	0	113.9	G548 K550	G548-E812 PolarHBondContact O-N 2.69Å; K550-E812 HydrophobicContact CG-CG 4Å; K550-E812 VanDerWaalsContact NZ-C 3.29Å; K550-E812 VanDerWaalsContact NZ-CA 3.3Å; K550-E812 PolarHBondContact NZ-OXT 2.68Å

Retrieved 812 of 812 residues in 719.5 ms (Link to these results)

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