A0A061ACN7_CAEEL Loading...

Dual specificity tyrosine-phosphorylation-regulated kinase mbk-2

Required for oocyte-to-zygote transition in which it phosphorylates oocyte proteins, including mei-1, oma-1, oma-2, mex-5, and mex-6, modifying their activity and/or stability following meiosis. Through phosphorylation of P granule components including meg-1, promotes the disassembly of zygotic P granules in the anterior cytoplasm during zygote polarization, and thus plays a role in P granule distribution and segregation in early stage embryos following meiosis. Functions in both spindle positioning and in the posterior localization of cytoplasmic determinants, including pie-1, pos-1, and pgl-1, in early embryos. Involved in the asymmetric distribution of plk-1 at the 2-cell embryonic stage.

AlphaFold DB , UniProt , Accession A0A061ACN7, Species CAEEL (Caenorhabditis elegans), Gene mbk-2, Length 514 aa.

Structure Viewer

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(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	40.6	Very low	28.6	Very low	244 Å²	244	137.3 Å²	137.3	100%	1.202	76%	0.758	S	S	*	*				0	111	0	-126	171.3	177.9	0	0	106
2	I	22.2	Very low	28.5	Very low	171 Å²	171	137.3 Å²	137.3	88%	0.877	76%	0.764	S	S	*	*			trans	173.6	135.1	161.6	-86.6	156.3	0	0	0	104.5
3	D	28.1	Very low	28.4	Very low	146 Å²	146	133.5 Å²	133.5	78%	0.781	76%	0.761	S	S	*	*			trans	-56.2	129.5	-158.3	-63.2	-65.8	0	0	0	118.3
4	V	25.7	Very low	28.4	Very low	139 Å²	139	130.6 Å²	130.6	84%	0.842	76%	0.762	S	S	*	*			trans	-147.7	72.1	140.6	-168.6	0	0	0	0	108.2
5	L	26.9	Very low	28.2	Very low	141 Å²	141	135.1 Å²	135.1	74%	0.738	77%	0.773	S	S	*	*			trans	-133.5	87.8	166	-79.9	178	0	0	0	108.9
6	A	23.9	Very low	28.1	Very low	76 Å²	76	132 Å²	132	63%	0.628	77%	0.769	S	S	*	*			trans	-169.9	120.8	148.3	0	0	0	0	0	108.9	V8	A6-V8 VanDerWaalsContact C-N 3.31Å; A6-V8 PolarHBondContact O-N 3.29Å; A6-V8 VanDerWaalsContact O-N 3.09Å
7	P	27.8	Very low	28	Very low	101 Å²	101	133.2 Å²	133.2	66%	0.656	78%	0.778	S	S	*	*			trans	-68.7	100.2	150.1	28.5	-25.7	0	0	0	106.4	R9	P7-R9 VanDerWaalsContact C-N 3.34Å; P7-R9 PolarHBondContact O-N 2.92Å
8	V	23.8	Very low	27.9	Very low	97 Å²	97	129.7 Å²	129.7	59%	0.588	78%	0.776	S	S	*	*			trans	-61.9	103	163.2	-179.7	0	0	0	0	106.6	A6	A6-V8 VanDerWaalsContact C-N 3.31Å; A6-V8 PolarHBondContact O-N 3.29Å; A6-V8 VanDerWaalsContact O-N 3.09Å
9	R	38.3	Very low	27.8	Very low	122 Å²	122	132.2 Å²	132.2	46%	0.46	78%	0.783	S	S	.	*			trans	-115	101.3	158.1	-75.5	-172.4	177.7	-154.5	-10.2	105.8	P7 T11 Y339	P7-R9 VanDerWaalsContact C-N 3.34Å; P7-R9 PolarHBondContact O-N 2.92Å; R9-T11 PolarHBondContact O-N 3.29Å; R9-Y339 HydrophobicContact CG-CE1 4.09Å; R9-Y339 VanDerWaalsContact NE-CE1 3.28Å; R9-Y339 VanDerWaalsContact NH1-CD1 3.3Å; R9-Y339 PolarHBondContact NH1-O 3.21Å; R9-Y339 VanDerWaalsContact NH1-O 3.17Å; R9-Y339 PolarHBondContact NH2-O 3.48Å
10	D	28.3	Very low	28.1	Very low	141 Å²	141	131.7 Å²	131.7	75%	0.754	78%	0.784	S	S	*	*			trans	-55.4	117.7	164.7	-65.6	-45.5	0	0	0	108.3
11	T	29.5	Very low	27.9	Very low	132 Å²	132	132.7 Å²	132.7	81%	0.81	79%	0.786	S	S	*	*			trans	-97	99.8	169	-50.1	0	0	0	0	105.9	R9 A13	R9-T11 PolarHBondContact O-N 3.29Å; T11-A13 PolarHBondContact O-N 3.13Å; T11-A13 VanDerWaalsContact O-N 3.12Å
12	V	27.1	Very low	27.3	Very low	137 Å²	137	128 Å²	128	83%	0.83	77%	0.771	S	S	*	*			trans	-74.7	99	168.7	-179.3	0	0	0	0	107.1
13	A	27.5	Very low	27.5	Very low	88 Å²	88	123.1 Å²	123.1	73%	0.727	76%	0.762	S	S	*	*			trans	-89.6	117.4	158.9	0	0	0	0	0	107.5	T11 Q15	T11-A13 PolarHBondContact O-N 3.13Å; T11-A13 VanDerWaalsContact O-N 3.12Å; A13-Q15 PolarHBondContact O-N 3.44Å
14	A	28	Very low	27.4	Very low	94 Å²	94	122.7 Å²	122.7	78%	0.777	77%	0.765	S	S	*	*			trans	-73	119.9	166.6	0	0	0	0	0	108.6
15	Q	25.6	Very low	27.5	Very low	198 Å²	198	121.5 Å²	121.5	93%	0.925	76%	0.763	S	S	*	*			trans	-153	127.2	155.9	-106.4	171.6	19.8	0	0	109.6	A13	A13-Q15 PolarHBondContact O-N 3.44Å
16	A	26.5	Very low	27.5	Very low	85 Å²	85	120 Å²	120	70%	0.702	76%	0.764	S	S	*	*			trans	-78	175.5	171.1	0	0	0	0	0	110.9
17	T	26.3	Very low	27.7	Very low	152 Å²	152	121.2 Å²	121.2	93%	0.933	77%	0.768	S	S	*	*			trans	87	136.2	-177.2	76.4	0	0	0	0	112.7
18	G	26.1	Very low	27.7	Very low	71 Å²	71	124.5 Å²	124.5	73%	0.732	78%	0.78	S	S	*	*			cis	171.4	134.1	3	0	0	0	0	0	104.9
19	L	27	Very low	27.8	Very low	176 Å²	176	123.1 Å²	123.1	92%	0.921	79%	0.786	S	S	*	*			trans	-64	151.3	176.9	-76.8	158.1	0	0	0	110.8
20	P	32.5	Very low	27.3	Very low	123 Å²	123	122.8 Å²	122.8	80%	0.799	80%	0.802	S	S	*	*				-144.3	160.7	103.8	34.1	-16.9	0	0	0	117.1
21	N	25.4	Very low	27.3	Very low	153 Å²	153	120.9 Å²	120.9	82%	0.818	80%	0.799	S	S	*	*			trans	-32.4	149.8	166.4	-97.7	-18.6	0	0	0	118.9
22	V	27.6	Very low	27.3	Very low	146 Å²	146	121.5 Å²	121.5	89%	0.885	80%	0.798	S	S	*	*				153.8	136.2	112.9	170.7	0	0	0	0	109.5
23	G	25.9	Very low	27.4	Very low	68 Å²	68	120.2 Å²	120.2	70%	0.701	80%	0.795	S	S	*	*			trans	137.6	80.4	145.3	0	0	0	0	0	118.9
24	T	25.9	Very low	27.5	Very low	137 Å²	137	120.8 Å²	120.8	84%	0.84	79%	0.794	S	S	*	*			trans	-20.8	140.3	155.1	49	0	0	0	0	120.2
25	S	27.8	Very low	27.6	Very low	113 Å²	113	121.9 Å²	121.9	79%	0.79	80%	0.796	S	S	*	*				-177.1	126.1	118.7	39.3	0	0	0	0	113.5
26	S	26.4	Very low	27.8	Very low	111 Å²	111	116.4 Å²	116.4	78%	0.776	79%	0.792	S	S	*	*			trans	17	141.2	143.5	56.3	0	0	0	0	120.2
27	S	27.6	Very low	28	Very low	101 Å²	101	119.6 Å²	119.6	71%	0.706	80%	0.803	S	S	*	*			cis	-174.6	154.3	41.1	49.5	0	0	0	0	113.5
28	N	28.5	Very low	28	Very low	170 Å²	170	115.3 Å²	115.3	91%	0.909	79%	0.789	S	S	*	*			trans	76.5	123.8	145.6	-74.5	-3.5	0	0	0	122.9
29	G	26.5	Very low	28.2	Very low	68 Å²	68	118 Å²	118	70%	0.701	80%	0.796	S	S	*	*			trans	142.4	87	142.5	0	0	0	0	0	116.5
30	S	26.6	Very low	28.1	Very low	115 Å²	115	113.7 Å²	113.7	80%	0.804	80%	0.795	S	S	*	*			trans	10.1	141.5	139.7	44.9	0	0	0	0	119
31	S	28.7	Very low	27.8	Very low	100 Å²	100	111.8 Å²	111.8	70%	0.699	80%	0.797	S	S	*	*			cis	-176.3	166.3	29.3	39	0	0	0	0	111.5
32	N	29.4	Very low	27.9	Very low	145 Å²	145	110.8 Å²	110.8	78%	0.775	80%	0.802	S	S	*	*			trans	91.8	119.3	147.6	-80.1	2.5	0	0	0	123.2
33	S	29.6	Very low	27.8	Very low	110 Å²	110	107.7 Å²	107.7	77%	0.769	80%	0.799	S	S	*	*			trans	65.6	135.4	138.8	56.8	0	0	0	0	118
34	S	30	Very low	27.8	Very low	100 Å²	100	109.9 Å²	109.9	70%	0.699	80%	0.804	S	S	*	*			cis	-174.9	147.8	16.5	38.9	0	0	0	0	109.7
35	S	29.9	Very low	27.9	Very low	118 Å²	118	111.4 Å²	111.4	83%	0.825	81%	0.806	S	S	*	*			trans	51.9	123.5	142.3	62.8	0	0	0	0	121.6
36	G	29.2	Very low	27.8	Very low	82 Å²	82	114.2 Å²	114.2	85%	0.845	81%	0.809	S	S	*	*			trans	168.7	106.8	153.9	0	0	0	0	0	113.4
37	V	30.4	Very low	27.8	Very low	153 Å²	153	114.9 Å²	114.9	93%	0.927	81%	0.809	S	S	*	*			trans	-87.6	152.7	-170	173.3	0	0	0	0	112.6
38	G	27.6	Very low	27.7	Very low	62 Å²	62	119.4 Å²	119.4	64%	0.639	82%	0.819	S	S	*	*			trans	133.3	94.3	153.5	0	0	0	0	0	113.8
39	S	29.2	Very low	27.5	Very low	127 Å²	127	116.6 Å²	116.6	89%	0.888	81%	0.812	S	S	*	*				54.2	108.5	93.1	-54.1	0	0	0	0	111.5
40	G	25.5	Very low	27.6	Very low	86 Å²	86	121.6 Å²	121.6	89%	0.887	82%	0.821	S	S	*	*				120.2	135.8	51.7	0	0	0	0	0	106.7
41	G	26.2	Very low	27.5	Very low	83 Å²	83	119.4 Å²	119.4	86%	0.856	82%	0.816	S	S	*	*			trans	150	95.5	171.8	0	0	0	0	0	115.7
42	S	26.9	Very low	27.3	Very low	132 Å²	132	118.2 Å²	118.2	92%	0.923	82%	0.82	S	S	*	*			trans	-58.4	150.9	167.9	-51.2	0	0	0	0	113.2
43	G	26.4	Very low	27.9	Very low	80 Å²	80	117.2 Å²	117.2	83%	0.825	82%	0.822	S	S	*	*			trans	-177.9	83.6	168.8	0	0	0	0	0	112.9
44	S	26.1	Very low	27.8	Very low	114 Å²	114	118.9 Å²	118.9	80%	0.797	82%	0.822	S	S	*	*			trans	-75.6	136.6	163.2	179.5	0	0	0	0	109.2
45	L	26.4	Very low	27.7	Very low	170 Å²	170	124 Å²	124	89%	0.89	83%	0.831	S	S	*	*			trans	-166.5	128.4	147	-105.6	147	0	0	0	111.8
46	M	25.8	Very low	27.6	Very low	171 Å²	171	126 Å²	126	84%	0.842	83%	0.828	S	S	*	*			trans	-67.3	151.2	167.9	-65.5	-177.2	167.5	0	0	111.8
47	T	26.9	Very low	27.5	Very low	126 Å²	126	128.9 Å²	128.9	77%	0.773	82%	0.823	S	S	*	*			trans	-175.2	111.7	138.5	38.1	0	0	0	0	107.9
48	Q	25.3	Very low	27.2	Very low	196 Å²	196	126.8 Å²	126.8	92%	0.916	82%	0.815	S	S	*	*				89	139.2	90.3	-82	-166.7	9	0	0	115.2
49	S	25.2	Very low	27.1	Very low	110 Å²	110	128.1 Å²	128.1	77%	0.769	82%	0.82	S	S	*	*			trans	-85.5	145.1	-168.6	131	0	0	0	0	113.1
50	I	27.9	Very low	27	Very low	173 Å²	173	127.5 Å²	127.5	89%	0.887	82%	0.815	S	S	*	*			trans	-152.5	135.4	150.2	-52.9	-178.3	0	0	0	105
51	G	25.2	Very low	27	Very low	69 Å²	69	132 Å²	132	71%	0.711	81%	0.813	S	S	*	*			cis	132.6	74.3	12.1	0	0	0	0	0	111.8
52	G	24.1	Very low	26.9	Very low	75 Å²	75	133.9 Å²	133.9	77%	0.773	81%	0.813	S	S	*	*			trans	62.3	178.2	156	0	0	0	0	0	121.3
53	P	41.9	Very low	26.8	Very low	125 Å²	125	132.9 Å²	132.9	81%	0.812	80%	0.802	S	S	*	*			cis	-140.5	160.3	-14.3	39.2	-20.3	0	0	0	117.7
54	N	27.7	Very low	26.7	Very low	145 Å²	145	137 Å²	137	78%	0.775	80%	0.804	S	S	*	*			trans	26.3	139.8	143.5	-73.8	-13.7	0	0	0	125.8
55	K	29	Very low	26.5	Very low	206 Å²	206	138.2 Å²	138.2	90%	0.896	80%	0.802	S	S	*	*				-164.8	105.5	127.6	-96.8	171	-172.9	-176.5	0	108.6
56	H	26.9	Very low	26.4	Very low	161 Å²	161	137.2 Å²	137.2	75%	0.745	80%	0.803	S	S	*	*				44.2	128	95.2	-95	-76.8	0	0	0	114.3
57	L	26.5	Very low	26.2	Very low	142 Å²	142	133.3 Å²	133.3	74%	0.743	80%	0.798	S	S	*	*			cis	-172.8	146.6	49.5	-105.5	142.5	0	0	0	113.4
58	S	24.2	Very low	26	Very low	109 Å²	109	132.7 Å²	132.7	76%	0.762	80%	0.798	S	S	*	*			trans	64.4	145.7	138.5	76.6	0	0	0	0	119.8
59	A	26.7	Very low	25.9	Very low	90 Å²	90	129.3 Å²	129.3	74%	0.744	79%	0.791	S	S	*	*			cis	-163.7	168.4	12.8	0	0	0	0	0	105.6
60	S	26.3	Very low	26.1	Very low	114 Å²	114	132.5 Å²	132.5	80%	0.797	79%	0.794	S	S	*	*			cis	-172.5	133.7	0.6	29	0	0	0	0	105.4
61	H	25.5	Very low	25.9	Very low	180 Å²	180	131.5 Å²	131.5	83%	0.833	79%	0.79	S	S	*	*			trans	-77.6	147.6	165.3	-96.6	-86.8	0	0	0	110.5
62	S	25	Very low	26	Very low	123 Å²	123	136.5 Å²	136.5	86%	0.86	80%	0.797	S	S	*	*			trans	-128.4	104.9	150.6	60.4	0	0	0	0	109
63	T	23.8	Very low	26	Very low	111 Å²	111	141.5 Å²	141.5	68%	0.681	80%	0.802	S	S	*	*			trans	-97.1	151.4	166.6	18.9	0	0	0	0	109.5
64	L	24.1	Very low	25.3	Very low	166 Å²	166	144.7 Å²	144.7	87%	0.869	81%	0.806	S	S	*	*			trans	176.8	98.5	140.5	-91.8	157.3	0	0	0	106.9
65	N	23.1	Very low	25.1	Very low	141 Å²	141	143.4 Å²	143.4	75%	0.754	81%	0.808	S	S	*	*				52.3	117	93.8	-91.8	4.1	0	0	0	115.7
66	T	23.2	Very low	24.9	Very low	149 Å²	149	142.7 Å²	142.7	91%	0.914	81%	0.805	S	S	*	*				-177.5	162.8	104.2	31.5	0	0	0	0	111.3
67	A	22	Very low	25.1	Very low	89 Å²	89	142.5 Å²	142.5	74%	0.736	81%	0.808	S	S	*	*			trans	-98.8	-175.1	-152.4	0	0	0	0	0	115.7
68	S	22.4	Very low	25.1	Very low	112 Å²	112	141.3 Å²	141.3	78%	0.783	81%	0.809	S	S	*	*			trans	85	137.6	163.7	81.9	0	0	0	0	114.7
69	T	24.4	Very low	25.3	Very low	125 Å²	125	145.7 Å²	145.7	77%	0.767	81%	0.814	S	S	*	*			cis	-151.5	157.7	19.9	37	0	0	0	0	110.3
70	H	28	Very low	25.5	Very low	178 Å²	178	145.7 Å²	145.7	82%	0.824	81%	0.809	S	S	*	*			trans	-54.9	133.9	161	-101.3	-103	0	0	0	110.9
71	D	24.6	Very low	25.5	Very low	151 Å²	151	145.6 Å²	145.6	81%	0.807	81%	0.806	S	S	*	*			trans	-153.2	121.9	148.5	-107.5	-27.2	0	0	0	111.6
72	M	27	Very low	25.8	Very low	174 Å²	174	142.3 Å²	142.3	86%	0.857	80%	0.803	S	S	*	*			trans	-77.6	116.7	173	-68.8	173.4	87.4	0	0	108.5
73	M	24.1	Very low	26.1	Very low	180 Å²	180	142.7 Å²	142.7	89%	0.887	80%	0.795	S	S	*	*			trans	-112.7	113.3	165.6	-82.3	-165.5	173.3	0	0	111	S75	M73-S75 PolarHBondContact O-N 3.43Å; M73-S75 VanDerWaalsContact O-N 3.14Å
74	H	26.6	Very low	26.6	Very low	192 Å²	192	146.3 Å²	146.3	89%	0.889	80%	0.804	S	S	*	*			trans	-53.4	109.2	163.1	-87	-76.5	0	0	0	110.6	K76	H74-K76 PolarHBondContact O-N 3.44Å
75	S	23.5	Very low	26.7	Very low	118 Å²	118	143.2 Å²	143.2	83%	0.825	80%	0.796	S	S	*	*			trans	-81.1	108.2	171.8	174.2	0	0	0	0	109.9	M73	M73-S75 PolarHBondContact O-N 3.43Å; M73-S75 VanDerWaalsContact O-N 3.14Å
76	K	24.6	Very low	26.9	Very low	192 Å²	192	144.7 Å²	144.7	84%	0.835	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-65.6	133.8	167.4	-71.3	176.2	177.6	175.3	0	109.6	H74	H74-K76 PolarHBondContact O-N 3.44Å
77	I	31.6	Very low	27.2	Very low	157 Å²	157	143.3 Å²	143.3	81%	0.805	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-56.9	128.5	171.7	-59.7	168.2	0	0	0	109	K79	I77-K79 PolarHBondContact O-N 2.77Å
78	P	26.9	Very low	27.6	Very low	116 Å²	116	149.7 Å²	149.7	75%	0.753	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-70.3	130.9	176.1	-12.5	26.7	0	0	0	110.7	S80	P78-S80 PolarHBondContact O-N 3.03Å
79	K	27.4	Very low	27.9	Very low	201 Å²	201	149.8 Å²	149.8	87%	0.874	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-60.1	129.1	166.2	-68.8	-179.6	176.6	-178	0	108.9	I77	I77-K79 PolarHBondContact O-N 2.77Å
80	S	30.6	Very low	28.1	Very low	90 Å²	90	151.4 Å²	151.4	63%	0.629	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-59.8	135.8	169.7	46.4	0	0	0	0	110.2	P78 S82	P78-S80 PolarHBondContact O-N 3.03Å; S80-S82 PolarHBondContact O-N 3Å
81	P	27.7	Very low	28.1	Very low	113 Å²	113	149.7 Å²	149.7	73%	0.734	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-66.5	133	175.5	26.3	-30.1	0	0	0	110.1	N83	P81-N83 PolarHBondContact O-N 2.99Å
82	S	30.6	Very low	28.4	Very low	111 Å²	111	147.9 Å²	147.9	78%	0.776	81%	0.806	S	S	*	*			trans	-65.8	111.2	169.8	47.8	0	0	0	0	110	S80 E84	S80-S82 PolarHBondContact O-N 3Å; S82-E84 PolarHBondContact O-N 3.24Å
83	N	31.2	Very low	28.5	Very low	130 Å²	130	145.2 Å²	145.2	70%	0.695	80%	0.804	S	S	*	*			trans	-89	91.2	168.8	-87.6	-8	0	0	0	110	P81	P81-N83 PolarHBondContact O-N 2.99Å
84	E	34.9	Very low	28.8	Very low	187 Å²	187	142.7 Å²	142.7	87%	0.874	80%	0.804	S	S	*	*			trans	-88.3	106.3	145.1	-82.9	-162.6	157.3	0	0	108.1	S82	S82-E84 PolarHBondContact O-N 3.24Å
85	S	26.7	Very low	28.9	Very low	101 Å²	101	137.2 Å²	137.2	71%	0.706	80%	0.8	S	S	*	*			trans	179.1	117.9	146	37.2	0	0	0	0	110
86	L	27.6	Very low	29.1	Very low	173 Å²	173	135.2 Å²	135.2	91%	0.906	80%	0.797	S	S	*	*			trans	167.6	71.3	142.7	-88.1	161.9	0	0	0	107.4	R88	L86-R88 PolarHBondContact O-N 3.37Å
87	S	28.7	Very low	29.3	Very low	120 Å²	120	132.1 Å²	132.1	84%	0.839	80%	0.8	S	S	*	*			trans	-71.3	121.2	163.5	49.6	0	0	0	0	109	S89	S87-S89 PolarHBondContact O-N 3.34Å
88	R	31.1	Very low	29.5	Very low	223 Å²	223	134.3 Å²	134.3	84%	0.842	81%	0.807	S	S	*	*			trans	-65.2	122	173.3	-71	177.2	177.2	177.5	-1.3	110.2	L86	L86-R88 PolarHBondContact O-N 3.37Å
89	S	27.8	Very low	29.6	Very low	113 Å²	113	132.2 Å²	132.2	79%	0.79	81%	0.806	S	S	*	*			trans	-93.3	101.4	163.1	55.2	0	0	0	0	109.4	S87	S87-S89 PolarHBondContact O-N 3.34Å
90	H	29.8	Very low	30	Very low	160 Å²	160	126.4 Å²	126.4	74%	0.741	80%	0.803	S	S	*	*			trans	-91	113.3	161.8	-77.6	-68.4	0	0	0	108.2
91	T	27.8	Very low	30.1	Very low	142 Å²	142	130.9 Å²	130.9	87%	0.871	81%	0.814	S	S	*	*			trans	-82.8	113.9	165.7	48.3	0	0	0	0	108.6
92	S	31.1	Very low	30.5	Very low	113 Å²	113	133.1 Å²	133.1	79%	0.79	82%	0.82	S	S	*	*			trans	-132.1	124.9	161.6	57.8	0	0	0	0	109.5
93	S	28.9	Very low	30.7	Very low	118 Å²	118	132.9 Å²	132.9	83%	0.825	82%	0.818	S	S	*	*			trans	-57.2	147	179	46.3	0	0	0	0	113.8
94	S	30.4	Very low	31	Very low	126 Å²	126	133.7 Å²	133.7	88%	0.881	82%	0.823	S	S	*	*			trans	-54.8	135.9	174.7	45.4	0	0	0	0	115.2
95	G	28.1	Very low	31.5	Very low	78 Å²	78	130.4 Å²	130.4	80%	0.804	82%	0.82	S	S	*	*			trans	-173.6	108.7	162.3	0	0	0	0	0	109.1
96	G	27.6	Very low	32.4	Very low	75 Å²	75	128.5 Å²	128.5	77%	0.773	82%	0.816	S	S	*	*			trans	-76.7	150.7	-173.3	0	0	0	0	0	114.1
97	S	28.6	Very low	33.9	Very low	128 Å²	128	124.7 Å²	124.7	90%	0.895	80%	0.804	S	S	*	*			trans	179.3	140.4	135.4	-78.3	0	0	0	0	109.9
98	Q	35.7	Very low	36.3	Very low	203 Å²	203	121.9 Å²	121.9	95%	0.949	78%	0.78	S	S	*	*			trans	-61.1	140.7	-178.5	-68.2	178.5	-6.6	0	0	112.5
99	G	29	Very low	39.1	Very low	71 Å²	71	115.5 Å²	115.5	73%	0.732	77%	0.769	S	S	*	*			trans	177.9	102.8	169.9	0	0	0	0	0	110.6	H101	G99-H101 PolarHBondContact O-N 2.99Å
100	G	37	Very low	42.2	Very low	79 Å²	79	110.5 Å²	110.5	81%	0.814	74%	0.736	S	S	*	*			trans	-66.6	114	-179.2	0	0	0	0	0	112.2
101	H	32.5	Very low	45.4	Very low	184 Å²	184	107.1 Å²	107.1	85%	0.852	72%	0.719	S	S	*	*			trans	-130.6	112	158.8	-89.6	-48	0	0	0	110.1	G99 S103	G99-H101 PolarHBondContact O-N 2.99Å; H101-S103 PolarHBondContact O-N 2.95Å; H101-S103 VanDerWaalsContact O-N 3.11Å
102	N	35.7	Very low	48.8	Very low	160 Å²	160	106.6 Å²	106.6	86%	0.856	70%	0.701	S	S	*	*			trans	-71.3	96.9	178.7	-150.2	9.4	0	0	0	109.1
103	S	34.9	Very low	51.9	Low	106 Å²	106	101.7 Å²	101.7	74%	0.741	67%	0.667	S	S	*	*			trans	-103.7	83.2	171	51	0	0	0	0	109.5	H101 S105	H101-S103 PolarHBondContact O-N 2.95Å; H101-S103 VanDerWaalsContact O-N 3.11Å; S103-S105 PolarHBondContact O-N 3.4Å
104	N	38.2	Very low	55.2	Low	148 Å²	148	100 Å²	100	79%	0.791	65%	0.645	S	S	*	*			trans	-76.2	87.9	179.3	-152.5	15.7	0	0	0	109.9	G106	N104-G106 PolarHBondContact O-N 3.13Å
105	S	45.4	Very low	58.3	Low	117 Å²	117	97 Å²	97	82%	0.818	62%	0.619	S	S	*	*			trans	-95	67.3	164.6	55.4	0	0	0	0	109.4	S103 S107	S103-S105 PolarHBondContact O-N 3.4Å; S105-S107 PolarHBondContact O-N 3.25Å; S105-S107 VanDerWaalsContact O-N 3.15Å
106	G	45.2	Very low	61.6	Low	61 Å²	61	93.2 Å²	93.2	63%	0.629	58%	0.581	S	S	*	*			trans	-70.2	106.9	-179.9	0	0	0	0	0	111.3	N104 N108	N104-G106 PolarHBondContact O-N 3.13Å; G106-N108 PolarHBondContact O-N 3.34Å
107	S	59.1	Low	64.9	Low	93 Å²	93	91.2 Å²	91.2	65%	0.65	55%	0.554	S	S	*	*			trans	-62.2	124.8	164.6	62.4	0	0	0	0	108.9	S105 S109	S105-S107 PolarHBondContact O-N 3.25Å; S105-S107 VanDerWaalsContact O-N 3.15Å; S107-S109 PolarHBondContact O-N 3.32Å; S107-S109 VanDerWaalsContact O-N 3.15Å
108	N	79.8	Confident	68.2	Low	62 Å²	62	93 Å²	93	33%	0.332	55%	0.548	S	S	.	.			trans	-56.4	119.6	171.8	179.5	0.3	0	0	0	108.6	G106 G110 F139 H199	G106-N108 PolarHBondContact O-N 3.34Å; N108-G110 VanDerWaalsContact C-N 3.25Å; N108-G110 PolarHBondContact O-N 3.04Å; N108-G110 PolarHBondContact OD1-N 3.21Å; N108-F139 VanDerWaalsContact O-CE1 3.28Å; N108-F139 WeakPolarHBondContact O-CE1 3.38Å; N108-H199 PolarHBondContact ND2-O 2.79Å
109	S	88.6	Confident	71.1	Confident	89 Å²	89	87.3 Å²	87.3	62%	0.622	53%	0.527	S	S	*	.			trans	-75.1	-14	-173.2	54.7	0	0	0	0	113.6	S107 R137	S107-S109 PolarHBondContact O-N 3.32Å; S107-S109 VanDerWaalsContact O-N 3.15Å; S109-R137 PolarHBondContact O-NH1 3.49Å
110	G	94.1	Very high	74.3	Confident	8 Å²	8	86.3 Å²	86.3	8%	0.082	50%	0.503	C	S	.	.			trans	66.2	151.5	-179.1	0	0	0	0	0	113.6	N108 R137 V138	N108-G110 VanDerWaalsContact C-N 3.25Å; N108-G110 PolarHBondContact O-N 3.04Å; N108-G110 PolarHBondContact OD1-N 3.21Å; G110-R137 PolarHBondContact O-NH1 3Å; G110-V138 CarbonylContact C-O 3.49Å; G110-V138 WeakPolarHBondContact CA-O 3.36Å
111	F	96.9	Very high	77.1	Confident	88 Å²	88	83.1 Å²	83.1	39%	0.386	47%	0.47	S	S	.	.	B	Isolated β-bridge	trans	-75	150.3	175.4	-67.3	-89.9	0	0	0	110.9	D115 A116 F120 R137 V138	F111-D115 HydrophobicContact CB-CB 4.45Å; F111-D115 HydrophobicContact CD1-CB 4.11Å; F111-A116 HydrophobicContact CB-CB 3.93Å; F111-F120 HydrophobicContact CD2-CE2 4.05Å; F111-F120 AromaticContact CE2-CE2 3.94Å; F111-F120 HydrophobicContact CE2-CE2 3.94Å; F111-F120 HydrophobicContact CE2-CZ 4.12Å; F111-F120 HydrophobicContact CZ-CE2 4.3Å; F111-F120 HydrophobicContact CZ-CZ 4.34Å; F111-R137 CarbonylContact O-C 3.55Å; F111-R137 WeakPolarHBondContact O-CA 3.44Å; F111-V138 HydrophobicContact CB-CB 4.39Å; F111-V138 PolarHBondContact N-O 3.17Å; F111-V138 PolarHBondContact O-N 2.87Å
112	R	97.5	Very high	80.1	Confident	132 Å²	132	79.3 Å²	79.3	50%	0.498	47%	0.47	S	S	.	.			trans	-68.7	155.3	159.5	-61.4	176.2	56	-166.3	-8.3	109.1	E114 D115 A116	R112-E114 VanDerWaalsContact C-N 3.25Å; R112-E114 IonicContact CZ-OE2 2.64Å; R112-E114 IonicContact NE-OE2 3.93Å; R112-E114 PolarHBondContact NE-OE2 3.44Å; R112-E114 IonicContact NH2-OE2 3.52Å; R112-E114 PolarHBondContact NH2-OE2 2.67Å; R112-E114 PolarHBondContact O-N 2.94Å; R112-D115 WeakPolarHBondContact CB-OD2 3.06Å; R112-D115 PolarHBondContact O-N 3.41Å; R112-A116 WeakPolarHBondContact O-CB 3.41Å; R112-A116 PolarHBondContact O-N 2.95Å
113	P	97.2	Very high	83	Confident	10 Å²	10	77.2 Å²	77.2	7%	0.065	45%	0.453	C	S	.	.	H	α-helix	trans	-55.3	-40.4	178.4	-29.4	38.9	0	0	0	113.2	A116 V117 Y133 Y135	P113-A116 PolarHBondContact O-N 2.89Å; P113-V117 WeakPolarHBondContact O-CG2 3.41Å; P113-V117 PolarHBondContact O-N 3.17Å; P113-Y133 HydrophobicContact CB-CD1 3.66Å; P113-Y133 HydrophobicContact CB-CE1 4.02Å; P113-Y133 HydrophobicContact CB-CG 4.39Å; P113-Y135 WeakPolarHBondContact CG-O 3.33Å
114	E	97.3	Very high	85.9	Confident	81 Å²	81	72.7 Å²	72.7	38%	0.379	42%	0.421	S	S	.	.	H	α-helix	trans	-60.3	-50.1	178.3	-60.9	77.1	-147.5	0	0	111.3	R112 A116 V117 Q118 Y133	R112-E114 VanDerWaalsContact C-N 3.25Å; R112-E114 IonicContact CZ-OE2 2.64Å; R112-E114 IonicContact NE-OE2 3.93Å; R112-E114 PolarHBondContact NE-OE2 3.44Å; R112-E114 IonicContact NH2-OE2 3.52Å; R112-E114 PolarHBondContact NH2-OE2 2.67Å; R112-E114 PolarHBondContact O-N 2.94Å; E114-A116 VanDerWaalsContact C-N 3.31Å; E114-A116 PolarHBondContact O-N 3.32Å; E114-V117 PolarHBondContact O-N 3.17Å; E114-Q118 PolarHBondContact O-N 2.94Å; E114-Y133 HydrophobicContact CG-CE1 4.26Å
115	D	97.1	Very high	88.7	Confident	63 Å²	63	66.8 Å²	66.8	34%	0.337	39%	0.39	S	S	.	.	H	α-helix	trans	-64.7	-37.4	179.8	-52.9	-33.4	0	0	0	111.2	F111 R112 Q118 T119	F111-D115 HydrophobicContact CB-CB 4.45Å; F111-D115 HydrophobicContact CD1-CB 4.11Å; R112-D115 WeakPolarHBondContact CB-OD2 3.06Å; R112-D115 PolarHBondContact O-N 3.41Å; D115-Q118 PolarHBondContact O-N 2.99Å; D115-T119 VanDerWaalsContact O-CB 3.28Å; D115-T119 WeakPolarHBondContact O-CB 3.12Å; D115-T119 PolarHBondContact O-N 3.46Å; D115-T119 PolarHBondContact O-OG1 3.09Å
116	A	97.3	Very high	91	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-67.1	-41.2	177.5	0	0	0	0	0	111.9	F111 R112 P113 E114 T119 F120 I132 V138	F111-A116 HydrophobicContact CB-CB 3.93Å; R112-A116 WeakPolarHBondContact O-CB 3.41Å; R112-A116 PolarHBondContact O-N 2.95Å; P113-A116 PolarHBondContact O-N 2.89Å; E114-A116 VanDerWaalsContact C-N 3.31Å; E114-A116 PolarHBondContact O-N 3.32Å; A116-T119 PolarHBondContact O-N 3.16Å; A116-F120 HydrophobicContact CB-CD2 4.36Å; A116-F120 WeakPolarHBondContact O-CA 3.47Å; A116-F120 WeakPolarHBondContact O-CB 2.94Å; A116-F120 WeakPolarHBondContact O-CD2 3.39Å; A116-F120 PolarHBondContact O-N 3.37Å; A116-I132 HydrophobicContact CB-CD1 3.9Å; A116-V138 HydrophobicContact CB-CB 3.84Å; A116-V138 HydrophobicContact CB-CG1 3.77Å; A116-V138 HydrophobicContact CB-CG2 3.98Å
117	V	97.1	Very high	93.4	Very high	33 Å²	33	64.7 Å²	64.7	20%	0.2	36%	0.359	C	S	.	.	H	α-helix	trans	-66.6	-39.9	174.4	172.1	0	0	0	0	110.8	P113 E114 G121 L124 I132 Y133	P113-V117 WeakPolarHBondContact O-CG2 3.41Å; P113-V117 PolarHBondContact O-N 3.17Å; E114-V117 PolarHBondContact O-N 3.17Å; V117-G121 WeakPolarHBondContact O-CA 3.39Å; V117-G121 PolarHBondContact O-N 3.07Å; V117-L124 HydrophobicContact CG2-CD1 4.22Å; V117-I132 HydrophobicContact CG2-CD1 4.19Å; V117-I132 HydrophobicContact CG2-CG2 3.56Å; V117-Y133 HydrophobicContact CG2-CE2 4.24Å
118	Q	96.8	Very high	95.2	Very high	166 Å²	166	60.3 Å²	60.3	78%	0.776	33%	0.328	S	S	*	.	H	α-helix	trans	-63.3	-42.8	175.7	-173.1	176.9	8.3	0	0	111.8	E114 D115	E114-Q118 PolarHBondContact O-N 2.94Å; D115-Q118 PolarHBondContact O-N 2.99Å
119	T	96.4	Very high	95.9	Very high	82 Å²	82	61.8 Å²	61.8	50%	0.503	33%	0.331	S	S	.	.	H	α-helix	trans	-79	-41.8	-175.7	-53.5	0	0	0	0	112.4	D115 A116	D115-T119 VanDerWaalsContact O-CB 3.28Å; D115-T119 WeakPolarHBondContact O-CB 3.12Å; D115-T119 PolarHBondContact O-N 3.46Å; D115-T119 PolarHBondContact O-OG1 3.09Å; A116-T119 PolarHBondContact O-N 3.16Å
120	F	96.6	Very high	96.2	Very high	51 Å²	51	62.6 Å²	62.6	22%	0.224	33%	0.329	C	S	.	.	H	α-helix	trans	-116.5	4.6	-169.6	-52.6	-68.5	0	0	0	113.9	F111 A116 A122 K123 L124 V141	F111-F120 HydrophobicContact CD2-CE2 4.05Å; F111-F120 AromaticContact CE2-CE2 3.94Å; F111-F120 HydrophobicContact CE2-CE2 3.94Å; F111-F120 HydrophobicContact CE2-CZ 4.12Å; F111-F120 HydrophobicContact CZ-CE2 4.3Å; F111-F120 HydrophobicContact CZ-CZ 4.34Å; A116-F120 HydrophobicContact CB-CD2 4.36Å; A116-F120 WeakPolarHBondContact O-CA 3.47Å; A116-F120 WeakPolarHBondContact O-CB 2.94Å; A116-F120 WeakPolarHBondContact O-CD2 3.39Å; A116-F120 PolarHBondContact O-N 3.37Å; F120-A122 PolarHBondContact O-N 3.07Å; F120-K123 WeakPolarHBondContact O-CA 3.13Å; F120-K123 WeakPolarHBondContact O-CB 3.24Å; F120-K123 PolarHBondContact O-N 2.73Å; F120-L124 PolarHBondContact O-N 3.38Å; F120-V141 HydrophobicContact CB-CG1 4.49Å; F120-V141 HydrophobicContact CB-CG2 3.95Å; F120-V141 HydrophobicContact CD1-CG2 4.09Å; F120-V141 HydrophobicContact CD2-CG1 4.11Å; F120-V141 HydrophobicContact CD2-CG2 4.15Å; F120-V141 HydrophobicContact CG-CG1 4.45Å; F120-V141 HydrophobicContact CG-CG2 3.8Å
121	G	94.8	Very high	96.3	Very high	12 Å²	12	63 Å²	63	12%	0.124	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-26.4	-171.8	0	0	0	0	0	115.3	V117 K123 K129	V117-G121 WeakPolarHBondContact O-CA 3.39Å; V117-G121 PolarHBondContact O-N 3.07Å; G121-K123 VanDerWaalsContact C-N 3.25Å; G121-K123 PolarHBondContact O-N 3.37Å; G121-K129 WeakPolarHBondContact O-CE 3.39Å; G121-K129 PolarHBondContact O-NZ 3.14Å
122	A	95.9	Very high	96.3	Very high	103 Å²	103	58.9 Å²	58.9	85%	0.851	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-15.1	173.3	0	0	0	0	0	113.8	F120	F120-A122 PolarHBondContact O-N 3.07Å
123	K	96.5	Very high	96.3	Very high	117 Å²	117	58 Å²	58	51%	0.509	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-7.6	179.8	-56	-60.8	-175.3	-177.4	0	113.2	F120 G121	F120-K123 WeakPolarHBondContact O-CA 3.13Å; F120-K123 WeakPolarHBondContact O-CB 3.24Å; F120-K123 PolarHBondContact O-N 2.73Å; G121-K123 VanDerWaalsContact C-N 3.25Å; G121-K123 PolarHBondContact O-N 3.37Å
124	L	96.4	Very high	96.3	Very high	11 Å²	11	63 Å²	63	6%	0.058	33%	0.334	C	S	.	.	S	Bend	trans	-90.1	137.6	178.6	-60.7	-179.7	0	0	0	111.1	V117 F120 E128 K129 I132 V141	V117-L124 HydrophobicContact CG2-CD1 4.22Å; F120-L124 PolarHBondContact O-N 3.38Å; L124-E128 WeakPolarHBondContact CA-OE2 3.25Å; L124-E128 HydrophobicContact CB-CB 4.09Å; L124-E128 HydrophobicContact CD2-CB 4.27Å; L124-K129 HydrophobicContact CB-CG 4.01Å; L124-I132 HydrophobicContact CD1-CD1 3.86Å; L124-V141 HydrophobicContact CD2-CB 4Å; L124-V141 HydrophobicContact CD2-CG1 4.23Å
125	V	95.8	Very high	96.3	Very high	23 Å²	23	61.5 Å²	61.5	14%	0.139	33%	0.325	C	S	.	.			trans	-73.9	159	170.7	-62.7	0	0	0	0	110.9	F127 E128 K129 K147	V125-F127 HydrophobicContact CG2-CB 4.33Å; V125-F127 PolarHBondContact O-N 3.29Å; V125-F127 VanDerWaalsContact O-N 3.13Å; V125-E128 HydrophobicContact CG2-CB 4.08Å; V125-E128 HydrophobicContact CG2-CG 3.61Å; V125-E128 PolarHBondContact N-OE2 2.94Å; V125-E128 WeakPolarHBondContact O-CB 3.45Å; V125-E128 PolarHBondContact O-N 2.94Å; V125-K129 PolarHBondContact O-N 2.82Å; V125-K147 HydrophobicContact CG1-CB 3.74Å; V125-K147 HydrophobicContact CG1-CD 4.1Å
126	P	94.4	Very high	96.2	Very high	96 Å²	96	64.3 Å²	64.3	62%	0.623	35%	0.345	S	S	*	.	H	α-helix	trans	-53.3	-37	-177.7	-29.3	36.4	0	0	0	114.5	K129 N130	P126-K129 PolarHBondContact O-N 2.92Å; P126-N130 PolarHBondContact O-ND2 3.49Å
127	F	95.3	Very high	96.2	Very high	39 Å²	39	69.7 Å²	69.7	17%	0.171	37%	0.365	C	S	.	.	H	α-helix	trans	-60	-47	174.4	-174.6	-90.9	0	0	0	112.1	V125 K129 N130 E131 I152 Y160 R251	V125-F127 HydrophobicContact CG2-CB 4.33Å; V125-F127 PolarHBondContact O-N 3.29Å; V125-F127 VanDerWaalsContact O-N 3.13Å; F127-K129 VanDerWaalsContact C-N 3.31Å; F127-K129 PolarHBondContact O-N 2.79Å; F127-N130 PolarHBondContact O-N 3.44Å; F127-N130 VanDerWaalsContact O-N 3.16Å; F127-E131 HydrophobicContact CD1-CB 4.2Å; F127-E131 HydrophobicContact CE1-CB 4.03Å; F127-E131 HydrophobicContact CE1-CG 4.2Å; F127-E131 PolarHBondContact O-N 2.92Å; F127-I152 HydrophobicContact CD2-CD1 4.47Å; F127-I152 HydrophobicContact CD2-CG1 3.68Å; F127-I152 HydrophobicContact CE2-CG1 3.68Å; F127-Y160 AromaticContact CD1-CE2 3.8Å; F127-Y160 HydrophobicContact CD1-CE2 3.8Å; F127-Y160 AromaticContact CD1-CZ 3.89Å; F127-Y160 VanDerWaalsContact CD1-OH 3.24Å; F127-Y160 WeakPolarHBondContact CD1-OH 3.1Å; F127-Y160 HydrophobicContact CD2-CE2 4.15Å; F127-Y160 AromaticContact CE1-CE2 3.73Å; F127-Y160 HydrophobicContact CE1-CE2 3.73Å; F127-Y160 HydrophobicContact CE2-CE2 4.09Å; F127-Y160 HydrophobicContact CG-CE2 4.02Å; F127-Y160 WeakPolarHBondContact CG-OH 3.48Å; F127-Y160 AromaticContact CZ-CE2 3.89Å; F127-Y160 HydrophobicContact CZ-CE2 3.89Å; F127-R251 HydrophobicContact CE1-CG 4.22Å
128	E	96.9	Very high	96.3	Very high	1 Å²	1	68.2 Å²	68.2	1%	0.005	36%	0.356	C	S	.	.	H	α-helix	trans	-64.9	-32.9	-178.6	-73	171.8	164.4	0	0	112.7	L124 V125 N130 E131 I132 K147 H174 Y177 R251	L124-E128 WeakPolarHBondContact CA-OE2 3.25Å; L124-E128 HydrophobicContact CB-CB 4.09Å; L124-E128 HydrophobicContact CD2-CB 4.27Å; V125-E128 HydrophobicContact CG2-CB 4.08Å; V125-E128 HydrophobicContact CG2-CG 3.61Å; V125-E128 PolarHBondContact N-OE2 2.94Å; V125-E128 WeakPolarHBondContact O-CB 3.45Å; V125-E128 PolarHBondContact O-N 2.94Å; E128-N130 PolarHBondContact O-N 3.17Å; E128-E131 PolarHBondContact O-N 2.78Å; E128-I132 VanDerWaalsContact O-CB 3.25Å; E128-I132 WeakPolarHBondContact O-CB 3.43Å; E128-I132 VanDerWaalsContact O-CG2 3.32Å; E128-I132 WeakPolarHBondContact O-CG2 3.2Å; E128-I132 PolarHBondContact O-N 3.39Å; E128-K147 IonicContact OE1-NZ 3.58Å; E128-K147 PolarHBondContact OE1-NZ 2.95Å; E128-K147 WeakPolarHBondContact OE2-CD 3.32Å; E128-K147 WeakPolarHBondContact OE2-CE 3.34Å; E128-K147 IonicContact OE2-NZ 2.74Å; E128-K147 PolarHBondContact OE2-NZ 3.37Å; E128-H174 IonicContact OE1-CD2 3.49Å; E128-H174 IonicContact OE1-NE2 3.93Å; E128-H174 PolarHBondContact OE1-NE2 2.96Å; E128-Y177 VanDerWaalsContact CA-OH 3.31Å; E128-Y177 WeakPolarHBondContact CA-OH 3.31Å; E128-Y177 VanDerWaalsContact CB-OH 3.32Å; E128-Y177 WeakPolarHBondContact CB-OH 2.91Å; E128-Y177 PolarHBondContact O-OH 3.42Å; E128-Y177 VanDerWaalsContact O-OH 3.07Å; E128-R251 IonicContact OE1-NH2 3.72Å; E128-R251 PolarHBondContact OE1-NH2 3.39Å
129	K	94.8	Very high	96.3	Very high	93 Å²	93	61.8 Å²	61.8	40%	0.404	33%	0.326	S	S	.	.	H	α-helix	trans	-61.1	-24.4	177.1	-66.8	-177.4	-179.4	-175.8	0	112.8	G121 L124 V125 P126 F127 Y133	G121-K129 WeakPolarHBondContact O-CE 3.39Å; G121-K129 PolarHBondContact O-NZ 3.14Å; L124-K129 HydrophobicContact CB-CG 4.01Å; V125-K129 PolarHBondContact O-N 2.82Å; P126-K129 PolarHBondContact O-N 2.92Å; F127-K129 VanDerWaalsContact C-N 3.31Å; F127-K129 PolarHBondContact O-N 2.79Å; K129-Y133 WeakPolarHBondContact O-CD2 3.36Å; K129-Y133 WeakPolarHBondContact O-CE2 3.45Å
130	N	94.2	Very high	96.4	Very high	106 Å²	106	59.7 Å²	59.7	57%	0.567	31%	0.309	S	S	*	.	H	α-helix	trans	-95.3	-43.4	173.8	-61.2	-55.3	0	0	0	111.6	P126 F127 E128 I132	P126-N130 PolarHBondContact O-ND2 3.49Å; F127-N130 PolarHBondContact O-N 3.44Å; F127-N130 VanDerWaalsContact O-N 3.16Å; E128-N130 PolarHBondContact O-N 3.17Å; N130-I132 VanDerWaalsContact C-N 3.32Å; N130-I132 PolarHBondContact O-N 3.15Å
131	E	96.6	Very high	96.5	Very high	17 Å²	17	57.6 Å²	57.6	8%	0.079	30%	0.301	C	S	.	.	H	α-helix	trans	-61.1	-37.2	-177.7	-179.1	-177.7	-132.5	0	0	112.8	F127 E128 Y133 N134 Y135 Y177 R251	F127-E131 HydrophobicContact CD1-CB 4.2Å; F127-E131 HydrophobicContact CE1-CB 4.03Å; F127-E131 HydrophobicContact CE1-CG 4.2Å; F127-E131 PolarHBondContact O-N 2.92Å; E128-E131 PolarHBondContact O-N 2.78Å; E131-Y133 PolarHBondContact O-N 2.78Å; E131-Y133 VanDerWaalsContact O-N 3.14Å; E131-N134 VanDerWaalsContact O-CB 3.31Å; E131-N134 WeakPolarHBondContact O-CB 3.38Å; E131-N134 PolarHBondContact O-N 2.97Å; E131-N134 PolarHBondContact O-ND2 3.37Å; E131-Y135 HydrophobicContact CG-CE2 4.03Å; E131-Y177 HydrophobicContact CG-CE2 4.12Å; E131-R251 WeakPolarHBondContact OE1-CG 3.38Å; E131-R251 IonicContact OE1-NE 3.66Å; E131-R251 PolarHBondContact OE1-NE 2.8Å; E131-R251 IonicContact OE2-CZ 3.37Å; E131-R251 IonicContact OE2-NE 3.07Å; E131-R251 PolarHBondContact OE2-NE 3.22Å; E131-R251 IonicContact OE2-NH2 2.73Å; E131-R251 PolarHBondContact OE2-NH2 3.43Å
132	I	97.5	Very high	96.6	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-58	-30.7	-173.5	-163.3	166	0	0	0	113.7	A116 V117 L124 E128 N130 N134 Y135 V138 Y177	A116-I132 HydrophobicContact CB-CD1 3.9Å; V117-I132 HydrophobicContact CG2-CD1 4.19Å; V117-I132 HydrophobicContact CG2-CG2 3.56Å; L124-I132 HydrophobicContact CD1-CD1 3.86Å; E128-I132 VanDerWaalsContact O-CB 3.25Å; E128-I132 WeakPolarHBondContact O-CB 3.43Å; E128-I132 VanDerWaalsContact O-CG2 3.32Å; E128-I132 WeakPolarHBondContact O-CG2 3.2Å; E128-I132 PolarHBondContact O-N 3.39Å; N130-I132 VanDerWaalsContact C-N 3.32Å; N130-I132 PolarHBondContact O-N 3.15Å; I132-N134 PolarHBondContact O-N 3.28Å; I132-Y135 PolarHBondContact O-N 2.8Å; I132-Y135 VanDerWaalsContact O-N 3.13Å; I132-V138 HydrophobicContact CD1-CG1 4.42Å; I132-V138 HydrophobicContact CD1-CG2 3.84Å; I132-V138 HydrophobicContact CG1-CG2 3.58Å; I132-Y177 HydrophobicContact CB-CE1 4.04Å; I132-Y177 HydrophobicContact CB-CE2 4.11Å; I132-Y177 HydrophobicContact CD1-CD1 4.13Å; I132-Y177 HydrophobicContact CD1-CE1 3.81Å; I132-Y177 HydrophobicContact CG1-CD1 4.09Å; I132-Y177 HydrophobicContact CG1-CE1 3.78Å; I132-Y177 HydrophobicContact CG1-CE2 4.23Å; I132-Y177 HydrophobicContact CG1-CG 4.43Å; I132-Y177 PolarHBondContact N-OH 2.99Å
133	Y	97.4	Very high	96.6	Very high	115 Å²	115	53.8 Å²	53.8	45%	0.451	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-72.6	-10.8	178.8	-66.5	-75.2	0	0	0	113.7	P113 E114 V117 K129 E131 Y135	P113-Y133 HydrophobicContact CB-CD1 3.66Å; P113-Y133 HydrophobicContact CB-CE1 4.02Å; P113-Y133 HydrophobicContact CB-CG 4.39Å; E114-Y133 HydrophobicContact CG-CE1 4.26Å; V117-Y133 HydrophobicContact CG2-CE2 4.24Å; K129-Y133 WeakPolarHBondContact O-CD2 3.36Å; K129-Y133 WeakPolarHBondContact O-CE2 3.45Å; E131-Y133 PolarHBondContact O-N 2.78Å; E131-Y133 VanDerWaalsContact O-N 3.14Å; Y133-Y135 PolarHBondContact O-N 3.47Å
134	N	96.9	Very high	96.5	Very high	115 Å²	115	56.8 Å²	56.8	62%	0.615	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-77.8	-9.2	170.9	-62.8	-37.7	0	0	0	112.7	E131 I132	E131-N134 VanDerWaalsContact O-CB 3.31Å; E131-N134 WeakPolarHBondContact O-CB 3.38Å; E131-N134 PolarHBondContact O-N 2.97Å; E131-N134 PolarHBondContact O-ND2 3.37Å; I132-N134 PolarHBondContact O-N 3.28Å
135	Y	97.1	Very high	96.5	Very high	48 Å²	48	57 Å²	57	19%	0.188	29%	0.285	C	S	.	.			trans	-107.2	132.6	-178.9	-65.9	-89.4	0	0	0	110	P113 E131 I132 Y133 R137 A176 Y177 F250	P113-Y135 WeakPolarHBondContact CG-O 3.33Å; E131-Y135 HydrophobicContact CG-CE2 4.03Å; I132-Y135 PolarHBondContact O-N 2.8Å; I132-Y135 VanDerWaalsContact O-N 3.13Å; Y133-Y135 PolarHBondContact O-N 3.47Å; Y135-R137 VanDerWaalsContact C-N 3.34Å; Y135-A176 HydrophobicContact CD1-CB 4.48Å; Y135-A176 HydrophobicContact CE1-CB 3.64Å; Y135-Y177 HydrophobicContact CD1-CD2 4.33Å; Y135-Y177 AromaticContact CD2-CD2 3.33Å; Y135-Y177 HydrophobicContact CD2-CD2 3.33Å; Y135-Y177 AromaticContact CD2-CE2 3.53Å; Y135-Y177 HydrophobicContact CD2-CE2 3.53Å; Y135-Y177 AromaticContact CE2-CD2 3.61Å; Y135-Y177 HydrophobicContact CE2-CD2 3.61Å; Y135-Y177 AromaticContact CE2-CE2 3.63Å; Y135-Y177 HydrophobicContact CE2-CE2 3.63Å; Y135-Y177 AromaticContact CG-CD2 3.74Å; Y135-Y177 HydrophobicContact CG-CD2 3.74Å; Y135-Y177 HydrophobicContact CG-CE2 4.38Å; Y135-F250 WeakPolarHBondContact OH-CD2 3.25Å
136	T	95.9	Very high	96.5	Very high	122 Å²	122	65.1 Å²	65.1	75%	0.748	32%	0.319	S	S	*	.	S	Bend	trans	-73.6	-28.4	-179.1	52.7	0	0	0	0	113
137	R	97.2	Very high	96.6	Very high	114 Å²	114	62.1 Å²	62.1	43%	0.43	30%	0.296	S	S	.	.			trans	-140.6	139.3	179.8	-67.9	-67.6	-177.5	157.4	-4.5	110.4	S109 G110 F111 Y135 F139	S109-R137 PolarHBondContact O-NH1 3.49Å; G110-R137 PolarHBondContact O-NH1 3Å; F111-R137 CarbonylContact O-C 3.55Å; F111-R137 WeakPolarHBondContact O-CA 3.44Å; Y135-R137 VanDerWaalsContact C-N 3.34Å; R137-F139 HydrophobicContact CB-CD2 4.45Å; R137-F139 HydrophobicContact CB-CE1 4.47Å; R137-F139 HydrophobicContact CB-CE2 3.6Å; R137-F139 HydrophobicContact CB-CZ 3.61Å; R137-F139 HydrophobicContact CG-CZ 4.32Å
138	V	98.1	Very high	96.4	Very high	1 Å²	1	63.1 Å²	63.1	1%	0.006	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-113.1	115.4	178.1	173	0	0	0	0	108.5	G110 F111 A116 I132 V141 Y177	G110-V138 CarbonylContact C-O 3.49Å; G110-V138 WeakPolarHBondContact CA-O 3.36Å; F111-V138 HydrophobicContact CB-CB 4.39Å; F111-V138 PolarHBondContact N-O 3.17Å; F111-V138 PolarHBondContact O-N 2.87Å; A116-V138 HydrophobicContact CB-CB 3.84Å; A116-V138 HydrophobicContact CB-CG1 3.77Å; A116-V138 HydrophobicContact CB-CG2 3.98Å; I132-V138 HydrophobicContact CD1-CG1 4.42Å; I132-V138 HydrophobicContact CD1-CG2 3.84Å; I132-V138 HydrophobicContact CG1-CG2 3.58Å; V138-V141 HydrophobicContact CG1-CG1 3.52Å; V138-Y177 HydrophobicContact CG1-CD1 4.29Å; V138-Y177 HydrophobicContact CG2-CG 4.4Å
139	F	98.2	Very high	96	Very high	32 Å²	32	66.6 Å²	66.6	14%	0.14	33%	0.33	C	S	.	.	S	Bend	trans	-103.1	-28.7	179.5	-54.7	-88.3	0	0	0	112	N108 R137 Y177 R178 H199 K200	N108-F139 VanDerWaalsContact O-CE1 3.28Å; N108-F139 WeakPolarHBondContact O-CE1 3.38Å; R137-F139 HydrophobicContact CB-CD2 4.45Å; R137-F139 HydrophobicContact CB-CE1 4.47Å; R137-F139 HydrophobicContact CB-CE2 3.6Å; R137-F139 HydrophobicContact CB-CZ 3.61Å; R137-F139 HydrophobicContact CG-CZ 4.32Å; F139-Y177 PolarHBondContact N-O 2.81Å; F139-R178 HydrophobicContact CD2-CB 4.08Å; F139-R178 HydrophobicContact CD2-CG 4.1Å; F139-H199 HydrophobicContact CB-CB 3.88Å; F139-K200 HydrophobicContact CD1-CB 3.91Å; F139-K200 HydrophobicContact CD1-CG 4.22Å; F139-K200 HydrophobicContact CD2-CB 4.23Å; F139-K200 HydrophobicContact CE1-CB 3.91Å; F139-K200 HydrophobicContact CE1-CD 4.34Å; F139-K200 HydrophobicContact CE1-CG 3.7Å; F139-K200 HydrophobicContact CE2-CB 4.23Å; F139-K200 HydrophobicContact CE2-CD 4.15Å; F139-K200 HydrophobicContact CE2-CG 4.27Å; F139-K200 HydrophobicContact CG-CB 4.08Å; F139-K200 HydrophobicContact CZ-CB 4.07Å; F139-K200 HydrophobicContact CZ-CD 3.83Å; F139-K200 HydrophobicContact CZ-CG 3.73Å
140	F	98.3	Very high	95.7	Very high	37 Å²	37	62.7 Å²	62.7	16%	0.162	32%	0.316	C	S	.	.			trans	-154	133.4	-176.7	-177.5	-107.9	0	0	0	111.6	H172 H174 Y177 E180 H199	F140-H172 WeakPolarHBondContact CZ-O 3.31Å; F140-H174 HydrophobicContact CD1-CB 3.71Å; F140-H174 HydrophobicContact CE1-CB 4.2Å; F140-Y177 PolarHBondContact N-O 2.85Å; F140-Y177 CarbonylContact O-C 3.5Å; F140-Y177 WeakPolarHBondContact O-CA 3.43Å; F140-E180 HydrophobicContact CD1-CB 3.91Å; F140-E180 HydrophobicContact CD1-CG 4.48Å; F140-E180 HydrophobicContact CE1-CB 3.53Å; F140-E180 HydrophobicContact CE1-CG 3.62Å; F140-E180 HydrophobicContact CE2-CB 4.47Å; F140-E180 HydrophobicContact CE2-CG 4.42Å; F140-E180 HydrophobicContact CZ-CB 3.84Å; F140-E180 HydrophobicContact CZ-CG 3.57Å; F140-H199 HydrophobicContact CB-CB 4.05Å; F140-H199 AromaticContact CD2-CD2 3.71Å; F140-H199 AromaticContact CD2-CE1 3.54Å; F140-H199 AromaticContact CD2-NE2 3.31Å; F140-H199 VanDerWaalsContact CD2-NE2 3.31Å; F140-H199 WeakPolarHBondContact CD2-NE2 3.44Å; F140-H199 AromaticContact CE2-CE1 3.97Å; F140-H199 AromaticContact CE2-NE2 3.67Å; F140-H199 AromaticContact CG-CD2 3.56Å; F140-H199 AromaticContact CG-NE2 3.63Å
141	V	97.9	Very high	95.5	Very high	7 Å²	7	62.1 Å²	62.1	4%	0.042	32%	0.316	C	S	.	.			trans	-115.5	-2.4	-177.5	-60.5	0	0	0	0	113.9	F120 L124 V138 S143 K147 H174 Y177	F120-V141 HydrophobicContact CB-CG1 4.49Å; F120-V141 HydrophobicContact CB-CG2 3.95Å; F120-V141 HydrophobicContact CD1-CG2 4.09Å; F120-V141 HydrophobicContact CD2-CG1 4.11Å; F120-V141 HydrophobicContact CD2-CG2 4.15Å; F120-V141 HydrophobicContact CG-CG1 4.45Å; F120-V141 HydrophobicContact CG-CG2 3.8Å; L124-V141 HydrophobicContact CD2-CB 4Å; L124-V141 HydrophobicContact CD2-CG1 4.23Å; V138-V141 HydrophobicContact CG1-CG1 3.52Å; V141-S143 VanDerWaalsContact CG2-OG 3.23Å; V141-S143 WeakPolarHBondContact CG2-OG 3.22Å; V141-K147 WeakPolarHBondContact O-CE 3.29Å; V141-K147 PolarHBondContact O-NZ 2.86Å; V141-H174 PolarHBondContact O-CD2 2.76Å; V141-Y177 HydrophobicContact CG1-CD1 4.21Å
142	G	97.5	Very high	95.1	Very high	1 Å²	1	67.2 Å²	67.2	1%	0.01	34%	0.343	C	S	.	.			trans	63.5	41.3	180	0	0	0	0	0	114.5	H144 A145 K147 H172	G142-H144 PolarHBondContact O-N 2.85Å; G142-A145 WeakPolarHBondContact O-CB 3.39Å; G142-A145 PolarHBondContact O-N 2.88Å; G142-K147 WeakPolarHBondContact O-CE 3.35Å; G142-H172 WeakPolarHBondContact CA-O 3.33Å
143	S	96.1	Very high	94.6	Very high	35 Å²	35	71.1 Å²	71.1	25%	0.245	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-20.6	-171.7	-59.7	0	0	0	0	116.3	V141	V141-S143 VanDerWaalsContact CG2-OG 3.23Å; V141-S143 WeakPolarHBondContact CG2-OG 3.22Å
144	H	94.7	Very high	94.3	Very high	179 Å²	179	67 Å²	67	83%	0.829	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.8	-1.3	-177.9	-58.2	-65.6	0	0	0	113.2	G142	G142-H144 PolarHBondContact O-N 2.85Å
145	A	96.4	Very high	94.1	Very high	16 Å²	16	65.3 Å²	65.3	13%	0.132	38%	0.378	C	S	.	.	S	Bend	trans	-74.3	147.3	179.7	0	0	0	0	0	111.5	G142 K147 V170 D173	G142-A145 WeakPolarHBondContact O-CB 3.39Å; G142-A145 PolarHBondContact O-N 2.88Å; A145-K147 HydrophobicContact CB-CG 4.2Å; A145-K147 PolarHBondContact O-N 3.42Å; A145-V170 HydrophobicContact CB-CG1 4.1Å; A145-D173 HydrophobicContact CB-CB 3.66Å
146	K	95.8	Very high	93.9	Very high	193 Å²	193	66.9 Å²	66.9	84%	0.839	39%	0.39	S	S	*	.			trans	-79.6	71.8	170.4	-66.4	-176	-179.7	-178.4	0	109.6	V170	K146-V170 WeakPolarHBondContact O-CG1 3.22Å
147	K	95.1	Very high	93.9	Very high	34 Å²	34	62.7 Å²	62.7	15%	0.148	36%	0.362	C	S	.	.			trans	-60.1	146.1	-172.3	-67.7	173.5	173.7	-70.8	0	112.5	V125 E128 V141 G142 A145 D173 H174	V125-K147 HydrophobicContact CG1-CB 3.74Å; V125-K147 HydrophobicContact CG1-CD 4.1Å; E128-K147 IonicContact OE1-NZ 3.58Å; E128-K147 PolarHBondContact OE1-NZ 2.95Å; E128-K147 WeakPolarHBondContact OE2-CD 3.32Å; E128-K147 WeakPolarHBondContact OE2-CE 3.34Å; E128-K147 IonicContact OE2-NZ 2.74Å; E128-K147 PolarHBondContact OE2-NZ 3.37Å; V141-K147 WeakPolarHBondContact O-CE 3.29Å; V141-K147 PolarHBondContact O-NZ 2.86Å; G142-K147 WeakPolarHBondContact O-CE 3.35Å; A145-K147 HydrophobicContact CB-CG 4.2Å; A145-K147 PolarHBondContact O-N 3.42Å; K147-D173 IonicContact NZ-OD1 2.86Å; K147-D173 PolarHBondContact NZ-OD1 3.39Å; K147-H174 PolarHBondContact NZ-CD2 3.11Å
148	Q	91.8	Very high	93.7	Very high	59 Å²	59	57.7 Å²	57.7	28%	0.276	35%	0.347	S	S	.	.			trans	-83.2	130.8	170.6	-168.7	156.9	5	0	0	110.8	G150 G159 Y160	Q148-G150 PolarHBondContact O-N 2.79Å; Q148-G150 VanDerWaalsContact O-N 3.09Å; Q148-G159 VanDerWaalsContact CD-O 3.25Å; Q148-G159 PolarHBondContact NE2-O 2.88Å; Q148-G159 PolarHBondContact OE1-O 3.2Å; Q148-Y160 HydrophobicContact CB-CD1 4.47Å; Q148-Y160 HydrophobicContact CB-CE1 4.19Å; Q148-Y160 PolarHBondContact O-OH 2.7Å
149	A	89.8	Confident	93.6	Very high	74 Å²	74	58.7 Å²	58.7	61%	0.612	36%	0.357	S	S	*	.			trans	-83	81.6	177.3	0	0	0	0	0	110
150	G	88.3	Confident	93.5	Very high	11 Å²	11	57.3 Å²	57.3	11%	0.113	35%	0.351	C	S	.	.			trans	-66.3	147	-179.8	0	0	0	0	0	113.3	Q148 G158 Y160	Q148-G150 PolarHBondContact O-N 2.79Å; Q148-G150 VanDerWaalsContact O-N 3.09Å; G150-G158 CarbonylContact C-O 3.58Å; G150-G158 WeakPolarHBondContact CA-O 3.49Å; G150-Y160 PolarHBondContact N-OH 2.76Å
151	V	90.1	Very high	93.5	Very high	94 Å²	94	55.9 Å²	55.9	57%	0.57	35%	0.345	S	S	*	.			trans	-115.9	119.3	178.3	-177.6	0	0	0	0	109.6	G153 G154 G158	V151-G153 PolarHBondContact O-N 2.81Å; V151-G154 PolarHBondContact O-N 3.42Å; V151-G158 PolarHBondContact N-O 3.05Å; V151-G158 WeakPolarHBondContact O-CA 3.36Å
152	I	86.8	Confident	93.3	Very high	124 Å²	124	58 Å²	58	64%	0.636	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	126.8	-179.5	-60.9	172.5	0	0	0	109.8	F127 G154	F127-I152 HydrophobicContact CD2-CD1 4.47Å; F127-I152 HydrophobicContact CD2-CG1 3.68Å; F127-I152 HydrophobicContact CE2-CG1 3.68Å; I152-G154 PolarHBondContact O-N 3.28Å
153	G	87.3	Confident	93.2	Very high	83 Å²	83	66.6 Å²	66.6	86%	0.856	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.3	1.9	-179.6	0	0	0	0	0	115	V151	V151-G153 PolarHBondContact O-N 2.81Å
154	G	90.3	Very high	93	Very high	29 Å²	29	69.6 Å²	69.6	30%	0.299	41%	0.409	S	S	.	.			trans	-67.7	164.7	173.8	0	0	0	0	0	112.9	V151 I152 G158	V151-G154 PolarHBondContact O-N 3.42Å; I152-G154 PolarHBondContact O-N 3.28Å; G154-G158 PolarHBondContact O-N 3.36Å
155	A	92.8	Very high	93	Very high	79 Å²	79	61.7 Å²	61.7	65%	0.653	38%	0.376	S	S	*	.	H	α-helix	trans	-56.1	156.8	174	0	0	0	0	0	111.8	N157 G158 G159	A155-N157 PolarHBondContact O-N 2.88Å; A155-G158 PolarHBondContact O-N 3.42Å; A155-G158 VanDerWaalsContact O-N 3.13Å; A155-G159 PolarHBondContact O-N 3.33Å
156	N	94	Very high	93	Very high	81 Å²	81	61.2 Å²	61.2	43%	0.433	37%	0.372	S	S	.	.	H	α-helix	trans	51.5	50.8	177.8	-59.1	81.6	0	0	0	112.8	G158 G159 Y160 D161 D162	N156-G158 VanDerWaalsContact C-N 3.33Å; N156-G158 PolarHBondContact O-N 3.43Å; N156-G159 CarbonylContact O-C 3.51Å; N156-G159 WeakPolarHBondContact O-CA 3.44Å; N156-G159 PolarHBondContact O-N 2.91Å; N156-Y160 PolarHBondContact O-N 3.14Å; N156-D161 WeakPolarHBondContact CB-O 3.31Å; N156-D161 PolarHBondContact O-N 3.13Å; N156-D162 PolarHBondContact ND2-O 3.27Å
157	N	95.4	Very high	93.1	Very high	33 Å²	33	52.6 Å²	52.6	18%	0.176	33%	0.334	C	S	.	.	H	α-helix	trans	57	45.3	-178.5	-171.5	29.5	0	0	0	112.4	A155 G159 Y160 D161 R251 N252	A155-N157 PolarHBondContact O-N 2.88Å; N157-G159 PolarHBondContact O-N 2.73Å; N157-Y160 WeakPolarHBondContact O-CD2 3.47Å; N157-Y160 PolarHBondContact O-N 3.27Å; N157-D161 HydrophobicContact CB-CB 3.97Å; N157-D161 WeakPolarHBondContact CB-OD1 3.43Å; N157-D161 WeakPolarHBondContact CB-OD2 3.32Å; N157-D161 PolarHBondContact ND2-OD1 3.16Å; N157-D161 PolarHBondContact ND2-OD2 2.77Å; N157-R251 PolarHBondContact ND2-O 2.92Å; N157-N252 PolarHBondContact OD1-ND2 3.21Å
158	G	93.6	Very high	93.2	Very high	10 Å²	10	54.9 Å²	54.9	10%	0.103	35%	0.345	C	S	.	.	H	α-helix	trans	67.1	23.4	-175.4	0	0	0	0	0	114.3	G150 V151 G154 A155 N156	G150-G158 CarbonylContact C-O 3.58Å; G150-G158 WeakPolarHBondContact CA-O 3.49Å; V151-G158 PolarHBondContact N-O 3.05Å; V151-G158 WeakPolarHBondContact O-CA 3.36Å; G154-G158 PolarHBondContact O-N 3.36Å; A155-G158 PolarHBondContact O-N 3.42Å; A155-G158 VanDerWaalsContact O-N 3.13Å; N156-G158 VanDerWaalsContact C-N 3.33Å; N156-G158 PolarHBondContact O-N 3.43Å
159	G	95.4	Very high	93.4	Very high	21 Å²	21	54 Å²	54	22%	0.216	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	91.9	-10.1	-175.7	0	0	0	0	0	114.4	Q148 A155 N156 N157 D161 Q168	Q148-G159 VanDerWaalsContact CD-O 3.25Å; Q148-G159 PolarHBondContact NE2-O 2.88Å; Q148-G159 PolarHBondContact OE1-O 3.2Å; A155-G159 PolarHBondContact O-N 3.33Å; N156-G159 CarbonylContact O-C 3.51Å; N156-G159 WeakPolarHBondContact O-CA 3.44Å; N156-G159 PolarHBondContact O-N 2.91Å; N157-G159 PolarHBondContact O-N 2.73Å; G159-D161 PolarHBondContact O-N 3.15Å; G159-Q168 PolarHBondContact O-NE2 3.21Å
160	Y	97.1	Very high	93.8	Very high	3 Å²	3	51.8 Å²	51.8	1%	0.012	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-16.3	-177.8	-72	-61.9	0	0	0	114.5	F127 Q148 G150 N156 N157 Y167 Q168	F127-Y160 AromaticContact CD1-CE2 3.8Å; F127-Y160 HydrophobicContact CD1-CE2 3.8Å; F127-Y160 AromaticContact CD1-CZ 3.89Å; F127-Y160 VanDerWaalsContact CD1-OH 3.24Å; F127-Y160 WeakPolarHBondContact CD1-OH 3.1Å; F127-Y160 HydrophobicContact CD2-CE2 4.15Å; F127-Y160 AromaticContact CE1-CE2 3.73Å; F127-Y160 HydrophobicContact CE1-CE2 3.73Å; F127-Y160 HydrophobicContact CE2-CE2 4.09Å; F127-Y160 HydrophobicContact CG-CE2 4.02Å; F127-Y160 WeakPolarHBondContact CG-OH 3.48Å; F127-Y160 AromaticContact CZ-CE2 3.89Å; F127-Y160 HydrophobicContact CZ-CE2 3.89Å; Q148-Y160 HydrophobicContact CB-CD1 4.47Å; Q148-Y160 HydrophobicContact CB-CE1 4.19Å; Q148-Y160 PolarHBondContact O-OH 2.7Å; G150-Y160 PolarHBondContact N-OH 2.76Å; N156-Y160 PolarHBondContact O-N 3.14Å; N157-Y160 WeakPolarHBondContact O-CD2 3.47Å; N157-Y160 PolarHBondContact O-N 3.27Å; Y160-Y167 HydrophobicContact CD1-CE2 4.11Å; Y160-Y167 HydrophobicContact CG-CE2 4.16Å; Y160-Q168 WeakPolarHBondContact O-CB 3.46Å; Y160-Q168 WeakPolarHBondContact O-CG 3.42Å; Y160-Q168 PolarHBondContact O-N 3.31Å
161	D	97.3	Very high	94.3	Very high	8 Å²	8	55 Å²	55	4%	0.043	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-108.6	153.2	-178	-62.2	7.4	0	0	0	110.6	N156 N157 G159 S166 Q168 N212 H253	N156-D161 WeakPolarHBondContact CB-O 3.31Å; N156-D161 PolarHBondContact O-N 3.13Å; N157-D161 HydrophobicContact CB-CB 3.97Å; N157-D161 WeakPolarHBondContact CB-OD1 3.43Å; N157-D161 WeakPolarHBondContact CB-OD2 3.32Å; N157-D161 PolarHBondContact ND2-OD1 3.16Å; N157-D161 PolarHBondContact ND2-OD2 2.77Å; G159-D161 PolarHBondContact O-N 3.15Å; D161-S166 CarbonylContact C-O 3.39Å; D161-S166 WeakPolarHBondContact CA-O 3.47Å; D161-Q168 PolarHBondContact O-NE2 3.19Å; D161-N212 VanDerWaalsContact OD2-CB 3.29Å; D161-N212 WeakPolarHBondContact OD2-CB 3.25Å; D161-N212 PolarHBondContact OD2-ND2 3.49Å; D161-H253 IonicContact OD1-CD2 3.44Å; D161-H253 IonicContact OD1-CE1 3.59Å; D161-H253 IonicContact OD1-NE2 3.28Å; D161-H253 PolarHBondContact OD1-NE2 2.83Å; D161-H253 IonicContact OD2-CE1 2.74Å; D161-H253 IonicContact OD2-NE2 2.64Å
162	D	94.8	Very high	94.7	Very high	52 Å²	52	55.1 Å²	55.1	28%	0.278	33%	0.332	S	S	.	.			trans	-77.8	-177.4	163.7	70.6	12.8	0	0	0	111.5	N156 N164 G165 S166 Q168	N156-D162 PolarHBondContact ND2-O 3.27Å; D162-N164 PolarHBondContact O-N 3.44Å; D162-N164 VanDerWaalsContact O-N 3.17Å; D162-N164 VanDerWaalsContact OD1-C 3.29Å; D162-N164 VanDerWaalsContact OD1-CA 3.31Å; D162-N164 WeakPolarHBondContact OD1-CA 3.28Å; D162-N164 WeakPolarHBondContact OD1-CB 3.45Å; D162-N164 PolarHBondContact OD1-N 3.29Å; D162-G165 PolarHBondContact O-N 2.87Å; D162-G165 VanDerWaalsContact O-N 3.17Å; D162-G165 PolarHBondContact OD1-N 3.35Å; D162-G165 VanDerWaalsContact OD1-N 3.15Å; D162-S166 PolarHBondContact N-O 3.13Å; D162-S166 WeakPolarHBondContact OD1-CB 3.44Å; D162-S166 PolarHBondContact OD1-N 3.47Å; D162-S166 WeakPolarHBondContact OD2-CB 3.38Å; D162-Q168 HydrophobicContact CB-CG 4.44Å
163	E	94.1	Very high	95.2	Very high	181 Å²	181	49.4 Å²	49.4	85%	0.846	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-19.6	178.2	-62.9	176.5	-178.1	0	0	113.5
164	N	92.8	Very high	95.8	Very high	98 Å²	98	45.5 Å²	45.5	52%	0.524	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	13.1	-179.4	-58.4	-62.2	0	0	0	112.5	D162 S166	D162-N164 PolarHBondContact O-N 3.44Å; D162-N164 VanDerWaalsContact O-N 3.17Å; D162-N164 VanDerWaalsContact OD1-C 3.29Å; D162-N164 VanDerWaalsContact OD1-CA 3.31Å; D162-N164 WeakPolarHBondContact OD1-CA 3.28Å; D162-N164 WeakPolarHBondContact OD1-CB 3.45Å; D162-N164 PolarHBondContact OD1-N 3.29Å; N164-S166 PolarHBondContact O-N 2.82Å
165	G	95.1	Very high	96.2	Very high	13 Å²	13	44.1 Å²	44.1	13%	0.134	25%	0.249	C	C	.	.	S	Bend	trans	67.7	20.6	-178.9	0	0	0	0	0	114	D162 R211 N212 H253	D162-G165 PolarHBondContact O-N 2.87Å; D162-G165 VanDerWaalsContact O-N 3.17Å; D162-G165 PolarHBondContact OD1-N 3.35Å; D162-G165 VanDerWaalsContact OD1-N 3.15Å; G165-R211 WeakPolarHBondContact O-CA 3.27Å; G165-N212 PolarHBondContact O-N 2.8Å; G165-H253 PolarHBondContact O-CE1 3.3Å
166	S	96.4	Very high	96.4	Very high	6 Å²	6	40.9 Å²	40.9	4%	0.042	22%	0.222	C	C	.	.			trans	-90.3	135.7	172.6	-56.6	0	0	0	0	110.4	D161 D162 N164 Q168 R211	D161-S166 CarbonylContact C-O 3.39Å; D161-S166 WeakPolarHBondContact CA-O 3.47Å; D162-S166 PolarHBondContact N-O 3.13Å; D162-S166 WeakPolarHBondContact OD1-CB 3.44Å; D162-S166 PolarHBondContact OD1-N 3.47Å; D162-S166 WeakPolarHBondContact OD2-CB 3.38Å; N164-S166 PolarHBondContact O-N 2.82Å; S166-Q168 PolarHBondContact O-N 3.24Å; S166-R211 PolarHBondContact OG-NE 3.36Å; S166-R211 VanDerWaalsContact OG-NE 3.16Å
167	Y	97.6	Very high	96.6	Very high	12 Å²	12	37 Å²	37	5%	0.047	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-61	132.8	178.2	-168.5	-102.2	0	0	0	111.7	Y160 L169 I175 L209 F250 R251 H253	Y160-Y167 HydrophobicContact CD1-CE2 4.11Å; Y160-Y167 HydrophobicContact CG-CE2 4.16Å; Y167-L169 HydrophobicContact CD1-CD2 3.88Å; Y167-L169 HydrophobicContact CD1-CG 4.32Å; Y167-L169 HydrophobicContact CE1-CD2 4.35Å; Y167-L169 PolarHBondContact O-N 3.14Å; Y167-L169 VanDerWaalsContact O-N 3.16Å; Y167-I175 HydrophobicContact CE1-CD1 3.94Å; Y167-L209 HydrophobicContact CD1-CD2 3.88Å; Y167-L209 HydrophobicContact CG-CD2 4.1Å; Y167-F250 HydrophobicContact CE1-CE1 4.39Å; Y167-F250 HydrophobicContact CE2-CE1 4.17Å; Y167-F250 AromaticContact CZ-CE1 3.76Å; Y167-F250 WeakPolarHBondContact OH-CE1 3.07Å; Y167-R251 HydrophobicContact CE2-CB 4.09Å; Y167-R251 PolarHBondContact OH-NH1 2.78Å; Y167-H253 AromaticContact CD2-CD2 3.46Å; Y167-H253 VanDerWaalsContact CD2-CD2 3.46Å; Y167-H253 WeakPolarHBondContact CD2-CD2 3.39Å; Y167-H253 AromaticContact CD2-NE2 3.49Å; Y167-H253 WeakPolarHBondContact CD2-NE2 3.23Å; Y167-H253 AromaticContact CG-NE2 3.97Å; Y167-H253 PolarHBondContact N-CE1 2.88Å
168	Q	96.9	Very high	96.8	Very high	81 Å²	81	36.6 Å²	36.6	38%	0.379	20%	0.197	S	C	.	.			trans	-80.5	93.3	176.7	-62.6	-164.4	64.7	0	0	110.1	G159 Y160 D161 D162 S166	G159-Q168 PolarHBondContact O-NE2 3.21Å; Y160-Q168 WeakPolarHBondContact O-CB 3.46Å; Y160-Q168 WeakPolarHBondContact O-CG 3.42Å; Y160-Q168 PolarHBondContact O-N 3.31Å; D161-Q168 PolarHBondContact O-NE2 3.19Å; D162-Q168 HydrophobicContact CB-CG 4.44Å; S166-Q168 PolarHBondContact O-N 3.24Å
169	L	96.7	Very high	97	Very high	40 Å²	40	36.2 Å²	36.2	21%	0.209	19%	0.192	C	C	.	.			trans	-68.5	132.2	-178.9	-68.7	170.2	0	0	0	112.5	Y167 V181 V184 I194 L209	Y167-L169 HydrophobicContact CD1-CD2 3.88Å; Y167-L169 HydrophobicContact CD1-CG 4.32Å; Y167-L169 HydrophobicContact CE1-CD2 4.35Å; Y167-L169 PolarHBondContact O-N 3.14Å; Y167-L169 VanDerWaalsContact O-N 3.16Å; L169-V181 HydrophobicContact CD2-CG1 4.25Å; L169-V181 HydrophobicContact CD2-CG2 4.34Å; L169-V184 HydrophobicContact CD1-CG2 3.61Å; L169-I194 HydrophobicContact CD1-CG2 3.32Å; L169-I194 HydrophobicContact CD2-CD1 4.36Å; L169-I194 HydrophobicContact CD2-CG2 4.1Å; L169-I194 HydrophobicContact CG-CG2 4.37Å; L169-L209 HydrophobicContact CD2-CD1 4.07Å; L169-L209 HydrophobicContact CD2-CD2 4.2Å
170	V	97.8	Very high	97.2	Very high	28 Å²	28	36.8 Å²	36.8	17%	0.17	19%	0.189	C	C	.	.			trans	-110.8	122.6	168.8	179.6	0	0	0	0	108.7	A145 K146 D173 V181	A145-V170 HydrophobicContact CB-CG1 4.1Å; K146-V170 WeakPolarHBondContact O-CG1 3.22Å; V170-D173 HydrophobicContact CB-CB 3.79Å; V170-D173 HydrophobicContact CG1-CB 4.05Å; V170-D173 VanDerWaalsContact O-CB 3.27Å; V170-D173 WeakPolarHBondContact O-CB 3.42Å; V170-D173 PolarHBondContact O-N 3.16Å; V170-D173 VanDerWaalsContact O-N 3.15Å; V170-V181 WeakPolarHBondContact O-CB 3.49Å
171	V	97.9	Very high	97.2	Very high	80 Å²	80	36.8 Å²	36.8	49%	0.485	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	138.6	178.5	-174.8	0	0	0	0	109.7	D173 L182	V171-D173 PolarHBondContact O-N 3.43Å; V171-L182 WeakPolarHBondContact CG1-O 3.44Å
172	H	98.3	Very high	97.3	Very high	95 Å²	95	38.4 Å²	38.4	44%	0.44	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	66	5.2	-171.5	-55.7	-64.4	0	0	0	115.8	F140 G142 E180 V181	F140-H172 WeakPolarHBondContact CZ-O 3.31Å; G142-H172 WeakPolarHBondContact CA-O 3.33Å; H172-E180 IonicContact CE1-OE1 3.77Å; H172-E180 IonicContact CG-OE1 2.86Å; H172-E180 IonicContact ND1-OE1 3.9Å; H172-E180 PolarHBondContact ND1-OE1 3.12Å; H172-V181 WeakPolarHBondContact CA-O 3.46Å; H172-V181 PolarHBondContact N-O 3.41Å
173	D	98.5	Very high	97.4	Very high	5 Å²	5	42.8 Å²	42.8	3%	0.027	22%	0.215	C	C	.	.			trans	-79.8	167.9	170.2	-156.8	7.8	0	0	0	111.3	A145 K147 V170 V171 V181	A145-D173 HydrophobicContact CB-CB 3.66Å; K147-D173 IonicContact NZ-OD1 2.86Å; K147-D173 PolarHBondContact NZ-OD1 3.39Å; V170-D173 HydrophobicContact CB-CB 3.79Å; V170-D173 HydrophobicContact CG1-CB 4.05Å; V170-D173 VanDerWaalsContact O-CB 3.27Å; V170-D173 WeakPolarHBondContact O-CB 3.42Å; V170-D173 PolarHBondContact O-N 3.16Å; V170-D173 VanDerWaalsContact O-N 3.15Å; V171-D173 PolarHBondContact O-N 3.43Å; D173-V181 WeakPolarHBondContact O-CG2 3.32Å; D173-V181 PolarHBondContact O-N 3.12Å
174	H	98.4	Very high	97.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	149.7	178.5	77.9	78.3	0	0	0	112.7	E128 F140 V141 K147 Y177 Y179	E128-H174 IonicContact OE1-CD2 3.49Å; E128-H174 IonicContact OE1-NE2 3.93Å; E128-H174 PolarHBondContact OE1-NE2 2.96Å; F140-H174 HydrophobicContact CD1-CB 3.71Å; F140-H174 HydrophobicContact CE1-CB 4.2Å; V141-H174 PolarHBondContact O-CD2 2.76Å; K147-H174 PolarHBondContact NZ-CD2 3.11Å; H174-Y177 AromaticContact CE1-CD1 3.61Å; H174-Y177 AromaticContact CE1-CD2 3.87Å; H174-Y177 AromaticContact CE1-CE1 3.45Å; H174-Y177 VanDerWaalsContact CE1-CE1 3.45Å; H174-Y177 WeakPolarHBondContact CE1-CE1 3.47Å; H174-Y177 AromaticContact CE1-CE2 3.71Å; H174-Y177 AromaticContact CE1-CG 3.84Å; H174-Y177 AromaticContact CE1-CZ 3.5Å; H174-Y177 AromaticContact ND1-CD1 3.98Å; H174-Y177 AromaticContact ND1-CG 4Å; H174-Y177 PolarHBondContact ND1-N 3.03Å; H174-Y177 AromaticContact NE2-CD1 3.62Å; H174-Y177 AromaticContact NE2-CE1 3.25Å; H174-Y177 WeakPolarHBondContact NE2-CE1 3.45Å; H174-Y177 AromaticContact NE2-CZ 3.63Å; H174-Y179 CarbonylContact C-O 3.53Å; H174-Y179 VanDerWaalsContact CA-O 3.32Å; H174-Y179 WeakPolarHBondContact CA-O 3.47Å
175	I	98.6	Very high	97.7	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	128	156.7	-56.9	-61.1	0	0	0	107.1	Y167 Y177 R178 Y179 V181 I194 L207 L209 F248 F250	Y167-I175 HydrophobicContact CE1-CD1 3.94Å; I175-Y177 PolarHBondContact O-N 2.9Å; I175-Y177 VanDerWaalsContact O-N 3.11Å; I175-R178 PolarHBondContact O-N 2.82Å; I175-R178 VanDerWaalsContact O-N 3.11Å; I175-Y179 PolarHBondContact N-O 3.11Å; I175-Y179 PolarHBondContact O-N 2.98Å; I175-V181 HydrophobicContact CD1-CG2 4.14Å; I175-V181 HydrophobicContact CG1-CG2 3.77Å; I175-I194 HydrophobicContact CG1-CD1 4.47Å; I175-L207 HydrophobicContact CB-CD1 4.27Å; I175-L207 HydrophobicContact CG2-CD1 4.07Å; I175-L209 HydrophobicContact CD1-CD2 4.04Å; I175-F248 HydrophobicContact CG2-CE2 3.8Å; I175-F248 HydrophobicContact CG2-CZ 3.95Å; I175-F250 HydrophobicContact CB-CD1 4.41Å; I175-F250 HydrophobicContact CB-CE1 4.42Å; I175-F250 HydrophobicContact CD1-CD1 3.81Å; I175-F250 HydrophobicContact CD1-CE1 3.45Å; I175-F250 VanDerWaalsContact CD1-CE1 3.45Å; I175-F250 HydrophobicContact CD1-CZ 4.36Å; I175-F250 HydrophobicContact CG1-CE1 4.5Å; I175-F250 HydrophobicContact CG2-CB 4.2Å; I175-F250 HydrophobicContact CG2-CD1 3.73Å; I175-F250 HydrophobicContact CG2-CE1 4.22Å; I175-F250 HydrophobicContact CG2-CG 3.95Å
176	A	98.3	Very high	97.6	Very high	10 Å²	10	36.9 Å²	36.9	8%	0.083	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.6	36.7	177.9	0	0	0	0	0	114.4	Y135 R178 F248 F250	Y135-A176 HydrophobicContact CD1-CB 4.48Å; Y135-A176 HydrophobicContact CE1-CB 3.64Å; A176-R178 PolarHBondContact O-N 2.95Å; A176-F248 HydrophobicContact CB-CD2 3.89Å; A176-F248 HydrophobicContact CB-CE2 3.47Å; A176-F248 VanDerWaalsContact CB-CE2 3.47Å; A176-F248 HydrophobicContact CB-CZ 4.06Å; A176-F250 HydrophobicContact CB-CD2 4.25Å; A176-F250 VanDerWaalsContact N-CD2 3.33Å
177	Y	98.5	Very high	97.3	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.7	27.8	-178	-61.4	-83.5	0	0	0	115.2	E128 E131 I132 Y135 V138 F139 F140 V141 H174 I175	E128-Y177 VanDerWaalsContact CA-OH 3.31Å; E128-Y177 WeakPolarHBondContact CA-OH 3.31Å; E128-Y177 VanDerWaalsContact CB-OH 3.32Å; E128-Y177 WeakPolarHBondContact CB-OH 2.91Å; E128-Y177 PolarHBondContact O-OH 3.42Å; E128-Y177 VanDerWaalsContact O-OH 3.07Å; E131-Y177 HydrophobicContact CG-CE2 4.12Å; I132-Y177 HydrophobicContact CB-CE1 4.04Å; I132-Y177 HydrophobicContact CB-CE2 4.11Å; I132-Y177 HydrophobicContact CD1-CD1 4.13Å; I132-Y177 HydrophobicContact CD1-CE1 3.81Å; I132-Y177 HydrophobicContact CG1-CD1 4.09Å; I132-Y177 HydrophobicContact CG1-CE1 3.78Å; I132-Y177 HydrophobicContact CG1-CE2 4.23Å; I132-Y177 HydrophobicContact CG1-CG 4.43Å; I132-Y177 PolarHBondContact N-OH 2.99Å; Y135-Y177 HydrophobicContact CD1-CD2 4.33Å; Y135-Y177 AromaticContact CD2-CD2 3.33Å; Y135-Y177 HydrophobicContact CD2-CD2 3.33Å; Y135-Y177 AromaticContact CD2-CE2 3.53Å; Y135-Y177 HydrophobicContact CD2-CE2 3.53Å; Y135-Y177 AromaticContact CE2-CD2 3.61Å; Y135-Y177 HydrophobicContact CE2-CD2 3.61Å; Y135-Y177 AromaticContact CE2-CE2 3.63Å; Y135-Y177 HydrophobicContact CE2-CE2 3.63Å; Y135-Y177 AromaticContact CG-CD2 3.74Å; Y135-Y177 HydrophobicContact CG-CD2 3.74Å; Y135-Y177 HydrophobicContact CG-CE2 4.38Å; V138-Y177 HydrophobicContact CG1-CD1 4.29Å; V138-Y177 HydrophobicContact CG2-CG 4.4Å; F139-Y177 PolarHBondContact N-O 2.81Å; F140-Y177 PolarHBondContact N-O 2.85Å; F140-Y177 CarbonylContact O-C 3.5Å; F140-Y177 WeakPolarHBondContact O-CA 3.43Å; V141-Y177 HydrophobicContact CG1-CD1 4.21Å; H174-Y177 AromaticContact CE1-CD1 3.61Å; H174-Y177 AromaticContact CE1-CD2 3.87Å; H174-Y177 AromaticContact CE1-CE1 3.45Å; H174-Y177 VanDerWaalsContact CE1-CE1 3.45Å; H174-Y177 WeakPolarHBondContact CE1-CE1 3.47Å; H174-Y177 AromaticContact CE1-CE2 3.71Å; H174-Y177 AromaticContact CE1-CG 3.84Å; H174-Y177 AromaticContact CE1-CZ 3.5Å; H174-Y177 AromaticContact ND1-CD1 3.98Å; H174-Y177 AromaticContact ND1-CG 4Å; H174-Y177 PolarHBondContact ND1-N 3.03Å; H174-Y177 AromaticContact NE2-CD1 3.62Å; H174-Y177 AromaticContact NE2-CE1 3.25Å; H174-Y177 WeakPolarHBondContact NE2-CE1 3.45Å; H174-Y177 AromaticContact NE2-CZ 3.63Å; I175-Y177 PolarHBondContact O-N 2.9Å; I175-Y177 VanDerWaalsContact O-N 3.11Å
178	R	98.4	Very high	96.7	Very high	25 Å²	25	43.8 Å²	43.8	9%	0.094	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-139.3	-45.3	-173.4	175.5	175.1	168.1	-163.1	-10.2	113.3	F139 I175 A176 D198 H199 K200 Y201 D246	F139-R178 HydrophobicContact CD2-CB 4.08Å; F139-R178 HydrophobicContact CD2-CG 4.1Å; I175-R178 PolarHBondContact O-N 2.82Å; I175-R178 VanDerWaalsContact O-N 3.11Å; A176-R178 PolarHBondContact O-N 2.95Å; R178-D198 WeakPolarHBondContact CG-OD1 3.39Å; R178-D198 IonicContact CZ-OD1 3.42Å; R178-D198 IonicContact CZ-OD2 3.38Å; R178-D198 IonicContact NE-OD1 2.7Å; R178-D198 PolarHBondContact NE-OD1 3.39Å; R178-D198 IonicContact NE-OD2 2.83Å; R178-D198 PolarHBondContact NE-OD2 2.88Å; R178-D198 IonicContact NH2-OD1 3.27Å; R178-D198 IonicContact NH2-OD2 2.88Å; R178-D198 PolarHBondContact NH2-OD2 2.82Å; R178-H199 WeakPolarHBondContact O-CB 3.11Å; R178-H199 PolarHBondContact O-N 3.03Å; R178-K200 HydrophobicContact CG-CB 4.19Å; R178-Y201 VanDerWaalsContact NH2-CD2 3.28Å; R178-D246 IonicContact CZ-OD2 2.68Å; R178-D246 IonicContact NH1-OD2 3.09Å; R178-D246 PolarHBondContact NH1-OD2 2.91Å; R178-D246 IonicContact NH2-OD2 3.95Å
179	Y	98.8	Very high	96.2	Very high	2 Å²	2	42 Å²	42	1%	0.008	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	127.2	-173.6	-52.7	-85.2	0	0	0	109.9	H174 I175 F197 D198 V205 L207 F248 T257	H174-Y179 CarbonylContact C-O 3.53Å; H174-Y179 VanDerWaalsContact CA-O 3.32Å; H174-Y179 WeakPolarHBondContact CA-O 3.47Å; I175-Y179 PolarHBondContact N-O 3.11Å; I175-Y179 PolarHBondContact O-N 2.98Å; Y179-F197 CarbonylContact C-O 3.56Å; Y179-F197 WeakPolarHBondContact CA-O 3.39Å; Y179-D198 HydrophobicContact CD1-CB 3.87Å; Y179-D198 HydrophobicContact CE1-CB 3.89Å; Y179-V205 HydrophobicContact CD1-CG2 3.99Å; Y179-V205 HydrophobicContact CE1-CG2 4.22Å; Y179-L207 HydrophobicContact CD1-CD1 4.23Å; Y179-L207 HydrophobicContact CD2-CD1 3.88Å; Y179-L207 HydrophobicContact CG-CD1 3.72Å; Y179-F248 HydrophobicContact CD2-CE1 4.17Å; Y179-F248 AromaticContact CD2-CZ 3.78Å; Y179-F248 HydrophobicContact CD2-CZ 3.78Å; Y179-F248 HydrophobicContact CE2-CD1 4.41Å; Y179-F248 AromaticContact CE2-CE1 3.36Å; Y179-F248 HydrophobicContact CE2-CE1 3.36Å; Y179-F248 AromaticContact CE2-CZ 3.44Å; Y179-F248 HydrophobicContact CE2-CZ 3.44Å; Y179-F248 VanDerWaalsContact CE2-CZ 3.44Å; Y179-F248 AromaticContact CZ-CE1 3.93Å; Y179-T257 HydrophobicContact CD1-CG2 4.48Å; Y179-T257 HydrophobicContact CE1-CG2 3.83Å; Y179-T257 HydrophobicContact CE2-CG2 4.38Å
180	E	98.7	Very high	95.6	Very high	33 Å²	33	42.2 Å²	42.2	15%	0.154	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	126.6	172.6	179.1	-179.6	170.2	0	0	110.4	F140 H172 L182 A196 F197 H199	F140-E180 HydrophobicContact CD1-CB 3.91Å; F140-E180 HydrophobicContact CD1-CG 4.48Å; F140-E180 HydrophobicContact CE1-CB 3.53Å; F140-E180 HydrophobicContact CE1-CG 3.62Å; F140-E180 HydrophobicContact CE2-CB 4.47Å; F140-E180 HydrophobicContact CE2-CG 4.42Å; F140-E180 HydrophobicContact CZ-CB 3.84Å; F140-E180 HydrophobicContact CZ-CG 3.57Å; H172-E180 IonicContact CE1-OE1 3.77Å; H172-E180 IonicContact CG-OE1 2.86Å; H172-E180 IonicContact ND1-OE1 3.9Å; H172-E180 PolarHBondContact ND1-OE1 3.12Å; E180-L182 HydrophobicContact CG-CD2 3.96Å; E180-L182 PolarHBondContact O-N 3.08Å; E180-A196 CarbonylContact O-C 3.57Å; E180-A196 WeakPolarHBondContact O-CA 3.26Å; E180-A196 VanDerWaalsContact O-CB 3.26Å; E180-A196 WeakPolarHBondContact O-CB 3.09Å; E180-F197 HydrophobicContact CB-CB 4.35Å; E180-F197 PolarHBondContact N-O 3.26Å; E180-F197 PolarHBondContact O-N 3.03Å; E180-H199 IonicContact OE2-CE1 3.85Å; E180-H199 IonicContact OE2-NE2 3.62Å; E180-H199 PolarHBondContact OE2-NE2 2.83Å
181	V	98.6	Very high	95.4	Very high	3 Å²	3	41.3 Å²	41.3	2%	0.018	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	118	176.5	-179.2	0	0	0	0	110	L169 V170 H172 D173 I175 I194	L169-V181 HydrophobicContact CD2-CG1 4.25Å; L169-V181 HydrophobicContact CD2-CG2 4.34Å; V170-V181 WeakPolarHBondContact O-CB 3.49Å; H172-V181 WeakPolarHBondContact CA-O 3.46Å; H172-V181 PolarHBondContact N-O 3.41Å; D173-V181 WeakPolarHBondContact O-CG2 3.32Å; D173-V181 PolarHBondContact O-N 3.12Å; I175-V181 HydrophobicContact CD1-CG2 4.14Å; I175-V181 HydrophobicContact CG1-CG2 3.77Å; V181-I194 HydrophobicContact CB-CD1 4.23Å; V181-I194 HydrophobicContact CG1-CD1 4.03Å; V181-I194 HydrophobicContact CG2-CD1 3.79Å
182	L	98.4	Very high	95.2	Very high	42 Å²	42	38.7 Å²	38.7	22%	0.22	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	-52.9	179.6	-59	175.5	0	0	0	112.9	V171 E180 K195 F197 Y204	V171-L182 WeakPolarHBondContact CG1-O 3.44Å; E180-L182 HydrophobicContact CG-CD2 3.96Å; E180-L182 PolarHBondContact O-N 3.08Å; L182-K195 WeakPolarHBondContact CB-O 3.23Å; L182-K195 HydrophobicContact CD1-CG 4.42Å; L182-K195 PolarHBondContact N-O 3.05Å; L182-K195 VanDerWaalsContact N-O 3.08Å; L182-F197 HydrophobicContact CD1-CB 4.09Å; L182-Y204 HydrophobicContact CD1-CD1 3.77Å; L182-Y204 HydrophobicContact CD1-CE1 3.47Å; L182-Y204 VanDerWaalsContact CD1-CE1 3.47Å
183	K	97.5	Very high	95.2	Very high	143 Å²	143	36 Å²	36	62%	0.622	20%	0.198	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-155.5	138.5	-173.3	-177.2	174.8	178.9	178.1	0	111.4	I185 I194 K195	K183-I185 PolarHBondContact O-N 2.93Å; K183-I194 CarbonylContact O-C 3.55Å; K183-I194 VanDerWaalsContact O-CA 3.26Å; K183-I194 WeakPolarHBondContact O-CA 3.4Å; K183-K195 PolarHBondContact N-O 3.3Å; K183-K195 PolarHBondContact O-N 3.32Å
184	V	97	Very high	95.2	Very high	54 Å²	54	35.8 Å²	35.8	33%	0.327	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	124.1	167.1	-173.9	0	0	0	0	109.8	L169 G186 K187 I194	L169-V184 HydrophobicContact CD1-CG2 3.61Å; V184-G186 WeakPolarHBondContact CG1-O 3.42Å; V184-K187 HydrophobicContact CG1-CD 4.26Å; V184-K187 HydrophobicContact CG1-CG 3.63Å; V184-I194 HydrophobicContact CG2-CG2 4.22Å
185	I	95	Very high	95.2	Very high	86 Å²	86	38.9 Å²	38.9	44%	0.441	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	-12.1	179.5	60	176.3	0	0	0	113	K183 V193 K195 A206 L260	K183-I185 PolarHBondContact O-N 2.93Å; I185-V193 HydrophobicContact CD1-CG1 3.98Å; I185-V193 HydrophobicContact CG1-CB 4.21Å; I185-V193 HydrophobicContact CG1-CG1 3.86Å; I185-V193 WeakPolarHBondContact CG1-O 3.44Å; I185-V193 PolarHBondContact N-O 2.92Å; I185-K195 HydrophobicContact CD1-CB 4.44Å; I185-K195 HydrophobicContact CG2-CB 3.87Å; I185-A206 HydrophobicContact CD1-CB 4.05Å; I185-L260 HydrophobicContact CD1-CD1 3.97Å
186	G	92.5	Very high	95.2	Very high	28 Å²	28	38.9 Å²	38.9	29%	0.289	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	148.3	171.2	0	0	0	0	0	112.3	V184 V193	V184-G186 WeakPolarHBondContact CG1-O 3.42Å; G186-V193 PolarHBondContact N-O 2.93Å; G186-V193 PolarHBondContact O-N 3.37Å
187	K	90.9	Very high	95.2	Very high	126 Å²	126	40 Å²	40	55%	0.548	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	143	171.5	-65.1	-168.7	177.1	-172.6	0	109.2	V184 Q192	V184-K187 HydrophobicContact CG1-CD 4.26Å; V184-K187 HydrophobicContact CG1-CG 3.63Å; K187-Q192 HydrophobicContact CG-CG 4.18Å
188	G	85.8	Confident	95.3	Very high	37 Å²	37	40.2 Å²	40.2	38%	0.381	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.5	-170.4	177.6	0	0	0	0	0	112.7	F190 G191 R211	G188-F190 PolarHBondContact O-N 3.41Å; G188-G191 PolarHBondContact N-O 3.05Å; G188-G191 PolarHBondContact O-N 3.44Å; G188-R211 PolarHBondContact O-NH2 3.43Å; G188-R211 VanDerWaalsContact O-NH2 3.14Å
189	S	84.9	Confident	95.2	Very high	45 Å²	45	40.4 Å²	40.4	32%	0.315	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-31.6	177.1	51.4	0	0	0	0	112.9	G191 R211 F216	S189-G191 VanDerWaalsContact C-N 3.31Å; S189-G191 PolarHBondContact O-N 3.2Å; S189-R211 VanDerWaalsContact O-CD 3.23Å; S189-R211 WeakPolarHBondContact O-CD 3.43Å; S189-R211 PolarHBondContact O-NE 3.15Å; S189-R211 VanDerWaalsContact O-NE 3.12Å; S189-R211 PolarHBondContact O-NH1 2.91Å; S189-F216 WeakPolarHBondContact O-CE2 3.34Å; S189-F216 WeakPolarHBondContact O-CZ 3.42Å
190	F	85.4	Confident	95.2	Very high	44 Å²	44	43.3 Å²	43.3	19%	0.193	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-17.3	-177.8	-60.1	-93.6	0	0	0	113.3	G188 V210 R211 F216	G188-F190 PolarHBondContact O-N 3.41Å; F190-V210 WeakPolarHBondContact O-CA 3.31Å; F190-R211 PolarHBondContact O-N 2.81Å; F190-F216 AromaticContact CD1-CD1 3.84Å; F190-F216 HydrophobicContact CD1-CD1 3.84Å; F190-F216 HydrophobicContact CD1-CE1 4.03Å; F190-F216 HydrophobicContact CE1-CE1 4.5Å; F190-F216 HydrophobicContact CG-CD1 4.39Å; F190-F216 HydrophobicContact CG-CE1 4.37Å
191	G	92.3	Very high	95.1	Very high	8 Å²	8	47.7 Å²	47.7	8%	0.082	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	135.3	-142.2	-174.5	0	0	0	0	0	112.2	G188 S189 L209	G188-G191 PolarHBondContact N-O 3.05Å; G188-G191 PolarHBondContact O-N 3.44Å; S189-G191 VanDerWaalsContact C-N 3.31Å; S189-G191 PolarHBondContact O-N 3.2Å; G191-L209 WeakPolarHBondContact CA-O 3.49Å
192	Q	95.6	Very high	95	Very high	25 Å²	25	52.4 Å²	52.4	12%	0.117	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	145.1	-171.1	-54.3	-175	0.6	0	0	110.6	K187 K208 L209	K187-Q192 HydrophobicContact CG-CG 4.18Å; Q192-K208 CarbonylContact O-C 3.42Å; Q192-K208 WeakPolarHBondContact O-CA 3.12Å; Q192-L209 PolarHBondContact N-O 3.29Å; Q192-L209 PolarHBondContact O-N 2.97Å
193	V	97.6	Very high	95	Very high	39 Å²	39	54.4 Å²	54.4	24%	0.236	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	127.8	173.3	-171.9	0	0	0	0	108.3	I185 G186 A206 L207 K208	I185-V193 HydrophobicContact CD1-CG1 3.98Å; I185-V193 HydrophobicContact CG1-CB 4.21Å; I185-V193 HydrophobicContact CG1-CG1 3.86Å; I185-V193 WeakPolarHBondContact CG1-O 3.44Å; I185-V193 PolarHBondContact N-O 2.92Å; G186-V193 PolarHBondContact N-O 2.93Å; G186-V193 PolarHBondContact O-N 3.37Å; V193-A206 HydrophobicContact CG1-CB 4.19Å; V193-L207 CarbonylContact C-O 3.6Å; V193-L207 WeakPolarHBondContact CA-O 3.44Å; V193-K208 HydrophobicContact CG2-CB 4.16Å; V193-K208 HydrophobicContact CG2-CG 4.06Å
194	I	98.4	Very high	95	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	147.3	178.8	63.6	172.8	0	0	0	110.9	L169 I175 V181 K183 V184 A196 A206 L207 L209	L169-I194 HydrophobicContact CD1-CG2 3.32Å; L169-I194 HydrophobicContact CD2-CD1 4.36Å; L169-I194 HydrophobicContact CD2-CG2 4.1Å; L169-I194 HydrophobicContact CG-CG2 4.37Å; I175-I194 HydrophobicContact CG1-CD1 4.47Å; V181-I194 HydrophobicContact CB-CD1 4.23Å; V181-I194 HydrophobicContact CG1-CD1 4.03Å; V181-I194 HydrophobicContact CG2-CD1 3.79Å; K183-I194 CarbonylContact O-C 3.55Å; K183-I194 VanDerWaalsContact O-CA 3.26Å; K183-I194 WeakPolarHBondContact O-CA 3.4Å; V184-I194 HydrophobicContact CG2-CG2 4.22Å; I194-A196 HydrophobicContact CD1-CB 4.14Å; I194-A196 HydrophobicContact CG1-CB 4.29Å; I194-A206 CarbonylContact O-C 3.55Å; I194-A206 WeakPolarHBondContact O-CA 3.33Å; I194-L207 HydrophobicContact CD1-CB 4.31Å; I194-L207 HydrophobicContact CD1-CD2 4.4Å; I194-L207 HydrophobicContact CG1-CB 3.78Å; I194-L207 HydrophobicContact CG1-CD2 4.39Å; I194-L207 WeakPolarHBondContact CG1-O 3.4Å; I194-L207 PolarHBondContact N-O 2.75Å; I194-L207 PolarHBondContact O-N 3.09Å; I194-L209 HydrophobicContact CD1-CD1 4.05Å; I194-L209 HydrophobicContact CG1-CD1 4.06Å; I194-L209 HydrophobicContact CG2-CD1 4.25Å
195	K	98.5	Very high	95.1	Very high	66 Å²	66	50.8 Å²	50.8	29%	0.287	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	124.3	154	-178.6	178.4	178.4	-177	0	106.8	L182 K183 I185 Y204 L260	L182-K195 WeakPolarHBondContact CB-O 3.23Å; L182-K195 HydrophobicContact CD1-CG 4.42Å; L182-K195 PolarHBondContact N-O 3.05Å; L182-K195 VanDerWaalsContact N-O 3.08Å; K183-K195 PolarHBondContact N-O 3.3Å; K183-K195 PolarHBondContact O-N 3.32Å; I185-K195 HydrophobicContact CD1-CB 4.44Å; I185-K195 HydrophobicContact CG2-CB 3.87Å; K195-Y204 HydrophobicContact CD-CD1 4.49Å; K195-Y204 HydrophobicContact CG-CD1 4.46Å; K195-L260 HydrophobicContact CD-CD2 4.02Å; K195-L260 HydrophobicContact CG-CD1 4.45Å; K195-L260 HydrophobicContact CG-CD2 4.03Å
196	A	98.8	Very high	95.3	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	156.6	175.7	0	0	0	0	0	111	E180 I194 Y204 V205 L207	E180-A196 CarbonylContact O-C 3.57Å; E180-A196 WeakPolarHBondContact O-CA 3.26Å; E180-A196 VanDerWaalsContact O-CB 3.26Å; E180-A196 WeakPolarHBondContact O-CB 3.09Å; I194-A196 HydrophobicContact CD1-CB 4.14Å; I194-A196 HydrophobicContact CG1-CB 4.29Å; A196-Y204 WeakPolarHBondContact O-CA 3.38Å; A196-V205 HydrophobicContact CB-CG2 4.09Å; A196-V205 PolarHBondContact N-O 3.49Å; A196-V205 PolarHBondContact O-N 3.27Å; A196-L207 HydrophobicContact CB-CB 4.35Å
197	F	98.7	Very high	95.6	Very high	35 Å²	35	45.9 Å²	45.9	15%	0.154	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	122.8	169.1	-170.7	-105.1	0	0	0	109.6	Y179 E180 L182 H199 Q202 Y204	Y179-F197 CarbonylContact C-O 3.56Å; Y179-F197 WeakPolarHBondContact CA-O 3.39Å; E180-F197 HydrophobicContact CB-CB 4.35Å; E180-F197 PolarHBondContact N-O 3.26Å; E180-F197 PolarHBondContact O-N 3.03Å; L182-F197 HydrophobicContact CD1-CB 4.09Å; F197-H199 AromaticContact CD1-CD2 3.8Å; F197-H199 AromaticContact CD1-CE1 3.87Å; F197-H199 AromaticContact CD1-NE2 3.67Å; F197-H199 PolarHBondContact O-N 2.98Å; F197-Q202 HydrophobicContact CZ-CB 4.28Å; F197-Y204 HydrophobicContact CB-CD1 4.29Å; F197-Y204 HydrophobicContact CB-CE1 4.3Å; F197-Y204 AromaticContact CD2-CD1 3.78Å; F197-Y204 HydrophobicContact CD2-CD1 3.78Å; F197-Y204 HydrophobicContact CD2-CD2 4.41Å; F197-Y204 AromaticContact CD2-CE1 3.69Å; F197-Y204 HydrophobicContact CD2-CE1 3.69Å; F197-Y204 HydrophobicContact CD2-CE2 4.31Å; F197-Y204 HydrophobicContact CD2-CG 4.16Å; F197-Y204 AromaticContact CD2-CZ 3.96Å; F197-Y204 HydrophobicContact CE2-CE2 4.44Å; F197-Y204 HydrophobicContact CG-CE1 4.41Å
198	D	98.6	Very high	95.9	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.016	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	105.1	177.5	-177.6	-10.4	0	0	0	109.8	R178 Y179 K200 Y201 Q202 Q203 V205	R178-D198 WeakPolarHBondContact CG-OD1 3.39Å; R178-D198 IonicContact CZ-OD1 3.42Å; R178-D198 IonicContact CZ-OD2 3.38Å; R178-D198 IonicContact NE-OD1 2.7Å; R178-D198 PolarHBondContact NE-OD1 3.39Å; R178-D198 IonicContact NE-OD2 2.83Å; R178-D198 PolarHBondContact NE-OD2 2.88Å; R178-D198 IonicContact NH2-OD1 3.27Å; R178-D198 IonicContact NH2-OD2 2.88Å; R178-D198 PolarHBondContact NH2-OD2 2.82Å; Y179-D198 HydrophobicContact CD1-CB 3.87Å; Y179-D198 HydrophobicContact CE1-CB 3.89Å; D198-K200 PolarHBondContact O-N 2.79Å; D198-K200 WeakPolarHBondContact OD1-CB 3.36Å; D198-K200 PolarHBondContact OD1-N 2.85Å; D198-Y201 PolarHBondContact O-N 3.22Å; D198-Y201 PolarHBondContact OD1-N 3.03Å; D198-Y201 WeakPolarHBondContact OD2-CD2 3.28Å; D198-Q202 VanDerWaalsContact O-CA 3.28Å; D198-Q202 WeakPolarHBondContact O-CA 3.35Å; D198-Q202 PolarHBondContact O-N 3Å; D198-Q203 HydrophobicContact CB-CG 4.29Å; D198-Q203 WeakPolarHBondContact CB-O 3.38Å; D198-Q203 PolarHBondContact N-O 2.9Å; D198-Q203 PolarHBondContact O-N 2.96Å; D198-V205 HydrophobicContact CB-CG1 4.3Å
199	H	98.3	Very high	96.5	Very high	30 Å²	30	39.1 Å²	39.1	14%	0.139	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-12.9	-177.6	-77.3	-95.4	0	0	0	114.1	N108 F139 F140 R178 E180 F197 Q202	N108-H199 PolarHBondContact ND2-O 2.79Å; F139-H199 HydrophobicContact CB-CB 3.88Å; F140-H199 HydrophobicContact CB-CB 4.05Å; F140-H199 AromaticContact CD2-CD2 3.71Å; F140-H199 AromaticContact CD2-CE1 3.54Å; F140-H199 AromaticContact CD2-NE2 3.31Å; F140-H199 VanDerWaalsContact CD2-NE2 3.31Å; F140-H199 WeakPolarHBondContact CD2-NE2 3.44Å; F140-H199 AromaticContact CE2-CE1 3.97Å; F140-H199 AromaticContact CE2-NE2 3.67Å; F140-H199 AromaticContact CG-CD2 3.56Å; F140-H199 AromaticContact CG-NE2 3.63Å; R178-H199 WeakPolarHBondContact O-CB 3.11Å; R178-H199 PolarHBondContact O-N 3.03Å; E180-H199 IonicContact OE2-CE1 3.85Å; E180-H199 IonicContact OE2-NE2 3.62Å; E180-H199 PolarHBondContact OE2-NE2 2.83Å; F197-H199 AromaticContact CD1-CD2 3.8Å; F197-H199 AromaticContact CD1-CE1 3.87Å; F197-H199 AromaticContact CD1-NE2 3.67Å; F197-H199 PolarHBondContact O-N 2.98Å; H199-Q202 PolarHBondContact O-NE2 2.94Å
200	K	97.1	Very high	97.1	Very high	62 Å²	62	37.2 Å²	37.2	27%	0.27	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-48.6	174.5	-178.7	-177.9	-177.7	-170.9	0	111.2	F139 R178 D198	F139-K200 HydrophobicContact CD1-CB 3.91Å; F139-K200 HydrophobicContact CD1-CG 4.22Å; F139-K200 HydrophobicContact CD2-CB 4.23Å; F139-K200 HydrophobicContact CE1-CB 3.91Å; F139-K200 HydrophobicContact CE1-CD 4.34Å; F139-K200 HydrophobicContact CE1-CG 3.7Å; F139-K200 HydrophobicContact CE2-CB 4.23Å; F139-K200 HydrophobicContact CE2-CD 4.15Å; F139-K200 HydrophobicContact CE2-CG 4.27Å; F139-K200 HydrophobicContact CG-CB 4.08Å; F139-K200 HydrophobicContact CZ-CB 4.07Å; F139-K200 HydrophobicContact CZ-CD 3.83Å; F139-K200 HydrophobicContact CZ-CG 3.73Å; R178-K200 HydrophobicContact CG-CB 4.19Å; D198-K200 PolarHBondContact O-N 2.79Å; D198-K200 WeakPolarHBondContact OD1-CB 3.36Å; D198-K200 PolarHBondContact OD1-N 2.85Å
201	Y	96.8	Very high	97.7	Very high	125 Å²	125	37.7 Å²	37.7	49%	0.49	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	0.9	-175.3	-63.4	-57.8	0	0	0	114.1	R178 D198 Q203	R178-Y201 VanDerWaalsContact NH2-CD2 3.28Å; D198-Y201 PolarHBondContact O-N 3.22Å; D198-Y201 PolarHBondContact OD1-N 3.03Å; D198-Y201 WeakPolarHBondContact OD2-CD2 3.28Å; Y201-Q203 PolarHBondContact O-N 2.83Å
202	Q	97.4	Very high	97.9	Very high	102 Å²	102	39.7 Å²	39.7	48%	0.477	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	47.8	177.1	-61.7	-65.8	-52.6	0	0	112.9	F197 D198 H199	F197-Q202 HydrophobicContact CZ-CB 4.28Å; D198-Q202 VanDerWaalsContact O-CA 3.28Å; D198-Q202 WeakPolarHBondContact O-CA 3.35Å; D198-Q202 PolarHBondContact O-N 3Å; H199-Q202 PolarHBondContact O-NE2 2.94Å
203	Q	97.6	Very high	97.8	Very high	84 Å²	84	42 Å²	42	39%	0.393	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	155.7	-177.9	64.1	-179.8	-28.9	0	0	112.4	D198 Y201 V205	D198-Q203 HydrophobicContact CB-CG 4.29Å; D198-Q203 WeakPolarHBondContact CB-O 3.38Å; D198-Q203 PolarHBondContact N-O 2.9Å; D198-Q203 PolarHBondContact O-N 2.96Å; Y201-Q203 PolarHBondContact O-N 2.83Å; Q203-V205 HydrophobicContact CG-CG1 4.22Å
204	Y	98.4	Very high	97.7	Very high	121 Å²	121	48.9 Å²	48.9	48%	0.475	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	136.9	171.8	-64.7	-77	0	0	0	111.2	L182 K195 A196 F197	L182-Y204 HydrophobicContact CD1-CD1 3.77Å; L182-Y204 HydrophobicContact CD1-CE1 3.47Å; L182-Y204 VanDerWaalsContact CD1-CE1 3.47Å; K195-Y204 HydrophobicContact CD-CD1 4.49Å; K195-Y204 HydrophobicContact CG-CD1 4.46Å; A196-Y204 WeakPolarHBondContact O-CA 3.38Å; F197-Y204 HydrophobicContact CB-CD1 4.29Å; F197-Y204 HydrophobicContact CB-CE1 4.3Å; F197-Y204 AromaticContact CD2-CD1 3.78Å; F197-Y204 HydrophobicContact CD2-CD1 3.78Å; F197-Y204 HydrophobicContact CD2-CD2 4.41Å; F197-Y204 AromaticContact CD2-CE1 3.69Å; F197-Y204 HydrophobicContact CD2-CE1 3.69Å; F197-Y204 HydrophobicContact CD2-CE2 4.31Å; F197-Y204 HydrophobicContact CD2-CG 4.16Å; F197-Y204 AromaticContact CD2-CZ 3.96Å; F197-Y204 HydrophobicContact CE2-CE2 4.44Å; F197-Y204 HydrophobicContact CG-CE1 4.41Å
205	V	98.7	Very high	97.3	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	159.1	178.9	-60.1	0	0	0	0	110.8	Y179 A196 D198 Q203 L245	Y179-V205 HydrophobicContact CD1-CG2 3.99Å; Y179-V205 HydrophobicContact CE1-CG2 4.22Å; A196-V205 HydrophobicContact CB-CG2 4.09Å; A196-V205 PolarHBondContact N-O 3.49Å; A196-V205 PolarHBondContact O-N 3.27Å; D198-V205 HydrophobicContact CB-CG1 4.3Å; Q203-V205 HydrophobicContact CG-CG1 4.22Å; V205-L245 HydrophobicContact CG1-CD1 3.79Å
206	A	98.6	Very high	97.1	Very high	11 Å²	11	52.3 Å²	52.3	9%	0.091	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	126.2	161	0	0	0	0	0	108.4	I185 V193 I194 T257 F258 L260	I185-A206 HydrophobicContact CD1-CB 4.05Å; V193-A206 HydrophobicContact CG1-CB 4.19Å; I194-A206 CarbonylContact O-C 3.55Å; I194-A206 WeakPolarHBondContact O-CA 3.33Å; A206-T257 CarbonylContact O-C 3.58Å; A206-T257 WeakPolarHBondContact O-CA 3.43Å; A206-F258 HydrophobicContact CB-CB 4.34Å; A206-F258 PolarHBondContact N-O 3.42Å; A206-F258 PolarHBondContact O-N 3.34Å; A206-L260 HydrophobicContact CB-CD1 4.1Å
207	L	98.7	Very high	96.9	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	115.4	179.9	-169.9	164.8	0	0	0	108.9	I175 Y179 V193 I194 A196 L209 F248 C255 I256 T257	I175-L207 HydrophobicContact CB-CD1 4.27Å; I175-L207 HydrophobicContact CG2-CD1 4.07Å; Y179-L207 HydrophobicContact CD1-CD1 4.23Å; Y179-L207 HydrophobicContact CD2-CD1 3.88Å; Y179-L207 HydrophobicContact CG-CD1 3.72Å; V193-L207 CarbonylContact C-O 3.6Å; V193-L207 WeakPolarHBondContact CA-O 3.44Å; I194-L207 HydrophobicContact CD1-CB 4.31Å; I194-L207 HydrophobicContact CD1-CD2 4.4Å; I194-L207 HydrophobicContact CG1-CB 3.78Å; I194-L207 HydrophobicContact CG1-CD2 4.39Å; I194-L207 WeakPolarHBondContact CG1-O 3.4Å; I194-L207 PolarHBondContact N-O 2.75Å; I194-L207 PolarHBondContact O-N 3.09Å; A196-L207 HydrophobicContact CB-CB 4.35Å; L207-L209 HydrophobicContact CD2-CD1 3.45Å; L207-L209 VanDerWaalsContact CD2-CD1 3.45Å; L207-L209 HydrophobicContact CD2-CD2 4.46Å; L207-L209 HydrophobicContact CD2-CG 3.59Å; L207-F248 HydrophobicContact CD1-CZ 4.26Å; L207-C255 HydrophobicContact CD2-CB 4.27Å; L207-I256 WeakPolarHBondContact CA-O 3.42Å; L207-T257 HydrophobicContact CB-CG2 4.22Å; L207-T257 HydrophobicContact CD1-CG2 4Å; L207-T257 HydrophobicContact CG-CG2 3.83Å
208	K	98.3	Very high	96.6	Very high	16 Å²	16	61.1 Å²	61.1	7%	0.07	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	120	175.3	-174.1	177.9	-167.3	178.4	0	108.7	Q192 V193 E223 C255 I256 F258 D325	Q192-K208 CarbonylContact O-C 3.42Å; Q192-K208 WeakPolarHBondContact O-CA 3.12Å; V193-K208 HydrophobicContact CG2-CB 4.16Å; V193-K208 HydrophobicContact CG2-CG 4.06Å; K208-E223 IonicContact NZ-OE1 2.81Å; K208-E223 PolarHBondContact NZ-OE1 2.84Å; K208-E223 IonicContact NZ-OE2 3.28Å; K208-E223 PolarHBondContact NZ-OE2 3.47Å; K208-C255 VanDerWaalsContact O-CA 3.28Å; K208-C255 WeakPolarHBondContact O-CA 3.35Å; K208-I256 HydrophobicContact CB-CB 4.48Å; K208-I256 PolarHBondContact N-O 2.83Å; K208-I256 PolarHBondContact O-N 2.95Å; K208-F258 HydrophobicContact CB-CE2 3.94Å; K208-F258 HydrophobicContact CD-CE2 4.26Å; K208-D325 IonicContact NZ-OD1 3.05Å; K208-D325 PolarHBondContact NZ-OD1 3.06Å
209	L	98.1	Very high	96.3	Very high	6 Å²	6	62 Å²	62	3%	0.031	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	116	168.4	-59	93.9	0	0	0	108.2	Y167 L169 I175 G191 Q192 I194 L207	Y167-L209 HydrophobicContact CD1-CD2 3.88Å; Y167-L209 HydrophobicContact CG-CD2 4.1Å; L169-L209 HydrophobicContact CD2-CD1 4.07Å; L169-L209 HydrophobicContact CD2-CD2 4.2Å; I175-L209 HydrophobicContact CD1-CD2 4.04Å; G191-L209 WeakPolarHBondContact CA-O 3.49Å; Q192-L209 PolarHBondContact N-O 3.29Å; Q192-L209 PolarHBondContact O-N 2.97Å; I194-L209 HydrophobicContact CD1-CD1 4.05Å; I194-L209 HydrophobicContact CG1-CD1 4.06Å; I194-L209 HydrophobicContact CG2-CD1 4.25Å; L207-L209 HydrophobicContact CD2-CD1 3.45Å; L207-L209 VanDerWaalsContact CD2-CD1 3.45Å; L207-L209 HydrophobicContact CD2-CD2 4.46Å; L207-L209 HydrophobicContact CD2-CG 3.59Å
210	V	97.8	Very high	96.2	Very high	4 Å²	4	60.6 Å²	60.6	2%	0.024	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	139.6	179.9	-178.2	0	0	0	0	108.9	F190 F216 A220 H253 K254	F190-V210 WeakPolarHBondContact O-CA 3.31Å; V210-F216 HydrophobicContact CG1-CB 3.64Å; V210-A220 HydrophobicContact CB-CB 4.44Å; V210-A220 HydrophobicContact CG1-CB 4.13Å; V210-A220 HydrophobicContact CG2-CB 3.72Å; V210-H253 PolarHBondContact O-ND1 2.96Å; V210-K254 HydrophobicContact CB-CB 4.08Å; V210-K254 WeakPolarHBondContact CB-O 3.35Å; V210-K254 HydrophobicContact CG2-CB 4.11Å; V210-K254 WeakPolarHBondContact CG2-O 3.28Å; V210-K254 PolarHBondContact N-O 3.33Å
211	R	96.7	Very high	96.1	Very high	54 Å²	54	61.1 Å²	61.1	20%	0.204	27%	0.265	C	S	.	.			trans	-55.3	143.4	174.5	-71.2	-172.2	-175.8	175.5	3	111.5	G165 S166 G188 S189 F190 E213 F216 H217	G165-R211 WeakPolarHBondContact O-CA 3.27Å; S166-R211 PolarHBondContact OG-NE 3.36Å; S166-R211 VanDerWaalsContact OG-NE 3.16Å; G188-R211 PolarHBondContact O-NH2 3.43Å; G188-R211 VanDerWaalsContact O-NH2 3.14Å; S189-R211 VanDerWaalsContact O-CD 3.23Å; S189-R211 WeakPolarHBondContact O-CD 3.43Å; S189-R211 PolarHBondContact O-NE 3.15Å; S189-R211 VanDerWaalsContact O-NE 3.12Å; S189-R211 PolarHBondContact O-NH1 2.91Å; F190-R211 PolarHBondContact O-N 2.81Å; R211-E213 PolarHBondContact O-N 3.46Å; R211-F216 HydrophobicContact CB-CD2 3.85Å; R211-F216 HydrophobicContact CB-CG 4.46Å; R211-H217 PolarHBondContact O-CD2 3.35Å; R211-H217 PolarHBondContact O-NE2 3.2Å
212	N	96.6	Very high	95.9	Very high	50 Å²	50	57.8 Å²	57.8	27%	0.267	25%	0.254	S	S	.	.	S	Bend	trans	-76.1	65.2	178.8	-174.9	11.3	0	0	0	110.8	D161 G165 N252	D161-N212 VanDerWaalsContact OD2-CB 3.29Å; D161-N212 WeakPolarHBondContact OD2-CB 3.25Å; D161-N212 PolarHBondContact OD2-ND2 3.49Å; G165-N212 PolarHBondContact O-N 2.8Å; N212-N252 PolarHBondContact OD1-O 3.17Å
213	E	94.9	Very high	95.9	Very high	74 Å²	74	53.2 Å²	53.2	35%	0.346	23%	0.232	S	C	.	.	S	Bend	trans	-136.7	138.9	175.5	-59.5	177.7	-138.9	0	0	110.2	R211 R215 F216 H217	R211-E213 PolarHBondContact O-N 3.46Å; E213-R215 PolarHBondContact O-N 3.37Å; E213-F216 HydrophobicContact CB-CD2 3.91Å; E213-F216 HydrophobicContact CG-CD2 4.22Å; E213-F216 PolarHBondContact O-N 3.23Å; E213-H217 PolarHBondContact O-N 3.27Å
214	K	93.8	Very high	95.8	Very high	183 Å²	183	50 Å²	50	80%	0.796	22%	0.217	S	C	*	.	H	α-helix	trans	-54.8	-32.4	-176.9	-66.5	-176.4	179.6	178.9	0	113.7	R218	K214-R218 WeakPolarHBondContact O-CG 3.36Å; K214-R218 PolarHBondContact O-N 3.45Å; K214-R218 PolarHBondContact O-NE 3.38Å
215	R	91.4	Very high	95.7	Very high	121 Å²	121	50.6 Å²	50.6	46%	0.457	22%	0.219	S	C	.	.	H	α-helix	trans	-68.7	-49.5	178	-179.1	-175.6	175.7	-175.9	0.9	111.3	E213 H217 R218 Q219	E213-R215 PolarHBondContact O-N 3.37Å; R215-H217 VanDerWaalsContact C-N 3.32Å; R215-R218 PolarHBondContact O-N 3.25Å; R215-Q219 PolarHBondContact O-N 2.72Å
216	F	93.4	Very high	95.6	Very high	18 Å²	18	50.6 Å²	50.6	8%	0.079	22%	0.219	C	C	.	.	H	α-helix	trans	-69.6	-32.3	-179.8	-66.8	-59.8	0	0	0	111.7	S189 F190 V210 R211 E213 R218 Q219 A220	S189-F216 WeakPolarHBondContact O-CE2 3.34Å; S189-F216 WeakPolarHBondContact O-CZ 3.42Å; F190-F216 AromaticContact CD1-CD1 3.84Å; F190-F216 HydrophobicContact CD1-CD1 3.84Å; F190-F216 HydrophobicContact CD1-CE1 4.03Å; F190-F216 HydrophobicContact CE1-CE1 4.5Å; F190-F216 HydrophobicContact CG-CD1 4.39Å; F190-F216 HydrophobicContact CG-CE1 4.37Å; V210-F216 HydrophobicContact CG1-CB 3.64Å; R211-F216 HydrophobicContact CB-CD2 3.85Å; R211-F216 HydrophobicContact CB-CG 4.46Å; E213-F216 HydrophobicContact CB-CD2 3.91Å; E213-F216 HydrophobicContact CG-CD2 4.22Å; E213-F216 PolarHBondContact O-N 3.23Å; F216-R218 PolarHBondContact O-N 2.62Å; F216-Q219 PolarHBondContact O-N 3.22Å; F216-A220 WeakPolarHBondContact O-CB 3.26Å; F216-A220 PolarHBondContact O-N 3.48Å
217	H	95.4	Very high	95.5	Very high	39 Å²	39	50.3 Å²	50.3	18%	0.181	22%	0.216	C	C	.	.	H	α-helix	trans	-59.7	-45.8	172.4	-77	-168.6	0	0	0	112.7	R211 E213 R215 Q219 A220 D221 N252 K254	R211-H217 PolarHBondContact O-CD2 3.35Å; R211-H217 PolarHBondContact O-NE2 3.2Å; E213-H217 PolarHBondContact O-N 3.27Å; R215-H217 VanDerWaalsContact C-N 3.32Å; H217-Q219 VanDerWaalsContact C-N 3.33Å; H217-Q219 PolarHBondContact O-N 2.7Å; H217-A220 PolarHBondContact O-N 3.15Å; H217-D221 PolarHBondContact O-N 2.99Å; H217-N252 PolarHBondContact CE1-O 3.48Å; H217-N252 PolarHBondContact NE2-O 3.39Å; H217-K254 HydrophobicContact CB-CD 4.08Å; H217-K254 WeakPolarHBondContact O-CE 3.39Å
218	R	92.4	Very high	95.4	Very high	181 Å²	181	53.6 Å²	53.6	68%	0.683	23%	0.233	S	C	*	.	H	α-helix	trans	-62.5	-39.1	176.1	-75.2	-174.9	-75.5	165.2	-5.7	112.6	K214 R215 F216 D221 E222	K214-R218 WeakPolarHBondContact O-CG 3.36Å; K214-R218 PolarHBondContact O-N 3.45Å; K214-R218 PolarHBondContact O-NE 3.38Å; R215-R218 PolarHBondContact O-N 3.25Å; F216-R218 PolarHBondContact O-N 2.62Å; R218-D221 PolarHBondContact O-N 2.9Å; R218-E222 PolarHBondContact O-N 3.31Å; R218-E222 VanDerWaalsContact O-N 3.14Å
219	Q	91.4	Very high	95.2	Very high	20 Å²	20	55.5 Å²	55.5	9%	0.093	24%	0.243	C	C	.	.	H	α-helix	trans	-66.7	-38.7	176	-73.5	177	-7.6	0	0	112	R215 F216 H217 E222 E223 Y337	R215-Q219 PolarHBondContact O-N 2.72Å; F216-Q219 PolarHBondContact O-N 3.22Å; H217-Q219 VanDerWaalsContact C-N 3.33Å; H217-Q219 PolarHBondContact O-N 2.7Å; Q219-E222 PolarHBondContact O-N 2.96Å; Q219-E223 WeakPolarHBondContact O-CB 3.28Å; Q219-E223 PolarHBondContact O-N 2.95Å; Q219-Y337 PolarHBondContact NE2-OH 3.29Å; Q219-Y337 VanDerWaalsContact NE2-OH 3.14Å
220	A	95.8	Very high	95.1	Very high	2 Å²	2	55.3 Å²	55.3	2%	0.017	24%	0.241	C	C	.	.	H	α-helix	trans	-66	-38	175.8	0	0	0	0	0	112.3	V210 F216 H217 E222 E223 I224 K254 I256	V210-A220 HydrophobicContact CB-CB 4.44Å; V210-A220 HydrophobicContact CG1-CB 4.13Å; V210-A220 HydrophobicContact CG2-CB 3.72Å; F216-A220 WeakPolarHBondContact O-CB 3.26Å; F216-A220 PolarHBondContact O-N 3.48Å; H217-A220 PolarHBondContact O-N 3.15Å; A220-E222 VanDerWaalsContact C-N 3.34Å; A220-E223 PolarHBondContact O-N 3.23Å; A220-I224 WeakPolarHBondContact O-CD1 3.19Å; A220-I224 VanDerWaalsContact O-CG1 3.22Å; A220-I224 WeakPolarHBondContact O-CG1 3.4Å; A220-I224 PolarHBondContact O-N 3.29Å; A220-K254 HydrophobicContact CB-CB 4.28Å; A220-K254 HydrophobicContact CB-CD 3.8Å; A220-I256 HydrophobicContact CB-CD1 4.47Å
221	D	95.6	Very high	94.9	Very high	73 Å²	73	59.4 Å²	59.4	39%	0.39	26%	0.257	S	S	.	.	H	α-helix	trans	-62.9	-41.5	174.2	-71.2	-34.4	0	0	0	111.7	H217 R218 I224 R225 K254	H217-D221 PolarHBondContact O-N 2.99Å; R218-D221 PolarHBondContact O-N 2.9Å; D221-I224 PolarHBondContact O-N 2.8Å; D221-R225 WeakPolarHBondContact O-CB 3.45Å; D221-R225 PolarHBondContact O-N 2.82Å; D221-K254 VanDerWaalsContact CG-CE 3.48Å; D221-K254 VanDerWaalsContact CG-NZ 3.26Å; D221-K254 WeakPolarHBondContact OD1-CE 3.44Å; D221-K254 IonicContact OD1-NZ 3.98Å; D221-K254 PolarHBondContact OD1-NZ 3.2Å; D221-K254 WeakPolarHBondContact OD2-CE 3.3Å; D221-K254 IonicContact OD2-NZ 3.84Å; D221-K254 PolarHBondContact OD2-NZ 3.08Å; D221-K254 VanDerWaalsContact OD2-NZ 3.15Å
222	E	93.6	Very high	94.6	Very high	55 Å²	55	64.7 Å²	64.7	26%	0.257	28%	0.276	S	S	.	.	H	α-helix	trans	-67.1	-40.3	174.8	-165.9	59	-149.3	0	0	111.8	R218 Q219 A220 I224 R225 I226	R218-E222 PolarHBondContact O-N 3.31Å; R218-E222 VanDerWaalsContact O-N 3.14Å; Q219-E222 PolarHBondContact O-N 2.96Å; A220-E222 VanDerWaalsContact C-N 3.34Å; E222-I224 PolarHBondContact O-N 3.01Å; E222-R225 PolarHBondContact O-N 2.92Å; E222-R225 IonicContact OE1-NE 2.96Å; E222-R225 PolarHBondContact OE1-NE 3.35Å; E222-R225 IonicContact OE2-NE 2.7Å; E222-I226 HydrophobicContact CG-CD1 3.92Å; E222-I226 HydrophobicContact CG-CG1 4.47Å; E222-I226 WeakPolarHBondContact O-CB 3.45Å; E222-I226 VanDerWaalsContact O-CG1 3.3Å; E222-I226 WeakPolarHBondContact O-CG1 3.24Å; E222-I226 PolarHBondContact O-N 3.43Å
223	E	95.8	Very high	94.4	Very high	5 Å²	5	65.7 Å²	65.7	2%	0.023	28%	0.28	C	S	.	.	H	α-helix	trans	-59.1	-46.8	175	-174.5	171.8	-168.2	0	0	111.6	K208 Q219 A220 I226 L227 F326	K208-E223 IonicContact NZ-OE1 2.81Å; K208-E223 PolarHBondContact NZ-OE1 2.84Å; K208-E223 IonicContact NZ-OE2 3.28Å; K208-E223 PolarHBondContact NZ-OE2 3.47Å; Q219-E223 WeakPolarHBondContact O-CB 3.28Å; Q219-E223 PolarHBondContact O-N 2.95Å; A220-E223 PolarHBondContact O-N 3.23Å; E223-I226 PolarHBondContact O-N 3.02Å; E223-L227 HydrophobicContact CG-CD1 3.82Å; E223-L227 HydrophobicContact CG-CG 4.48Å; E223-L227 WeakPolarHBondContact O-CB 3.38Å; E223-L227 VanDerWaalsContact O-CG 3.26Å; E223-L227 WeakPolarHBondContact O-CG 3.28Å; E223-L227 PolarHBondContact O-N 3.22Å; E223-F326 HydrophobicContact CG-CB 4.1Å; E223-F326 PolarHBondContact OE1-N 2.84Å
224	I	97.1	Very high	94.3	Very high	16 Å²	16	62.2 Å²	62.2	8%	0.082	26%	0.263	C	S	.	.	H	α-helix	trans	-59.5	-49.1	176.4	-70.3	162.1	0	0	0	110.1	A220 D221 E222 I226 L227 D228 M244 Y247 I256	A220-I224 WeakPolarHBondContact O-CD1 3.19Å; A220-I224 VanDerWaalsContact O-CG1 3.22Å; A220-I224 WeakPolarHBondContact O-CG1 3.4Å; A220-I224 PolarHBondContact O-N 3.29Å; D221-I224 PolarHBondContact O-N 2.8Å; E222-I224 PolarHBondContact O-N 3.01Å; I224-I226 PolarHBondContact O-N 3.49Å; I224-L227 PolarHBondContact O-N 2.79Å; I224-D228 WeakPolarHBondContact O-CB 3.41Å; I224-D228 PolarHBondContact O-N 2.71Å; I224-M244 HydrophobicContact CB-SD 4.42Å; I224-M244 HydrophobicContact CG1-SD 4.09Å; I224-M244 HydrophobicContact CG2-CE 4.11Å; I224-M244 HydrophobicContact CG2-SD 4.24Å; I224-Y247 HydrophobicContact CD1-CD2 3.87Å; I224-Y247 HydrophobicContact CD1-CG 3.96Å; I224-Y247 HydrophobicContact CG1-CG 4.33Å; I224-Y247 HydrophobicContact CG2-CD1 3.9Å; I224-Y247 HydrophobicContact CG2-CD2 4.25Å; I224-Y247 HydrophobicContact CG2-CE1 4Å; I224-Y247 HydrophobicContact CG2-CE2 4.34Å; I224-Y247 HydrophobicContact CG2-CG 4.04Å; I224-I256 HydrophobicContact CD1-CD1 4.06Å; I224-I256 HydrophobicContact CD1-CG1 4.09Å; I224-I256 HydrophobicContact CG1-CD1 3.7Å; I224-I256 HydrophobicContact CG1-CG1 4.03Å
225	R	96.3	Very high	94	Very high	134 Å²	134	58 Å²	58	51%	0.506	26%	0.257	S	S	.	.	H	α-helix	trans	-58.8	-45.5	179.3	172.4	-176.7	148.7	108.6	5.4	111.9	D221 E222 H229	D221-R225 WeakPolarHBondContact O-CB 3.45Å; D221-R225 PolarHBondContact O-N 2.82Å; E222-R225 PolarHBondContact O-N 2.92Å; E222-R225 IonicContact OE1-NE 2.96Å; E222-R225 PolarHBondContact OE1-NE 3.35Å; E222-R225 IonicContact OE2-NE 2.7Å; R225-H229 WeakPolarHBondContact O-CB 3.18Å; R225-H229 PolarHBondContact O-N 2.84Å; R225-H229 VanDerWaalsContact O-N 3.08Å
226	I	96.4	Very high	93.8	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-64.2	-48.4	178.5	-75.5	171.5	0	0	0	110.9	E222 E223 I224 D228 H229 L230 L301 F326 F331	E222-I226 HydrophobicContact CG-CD1 3.92Å; E222-I226 HydrophobicContact CG-CG1 4.47Å; E222-I226 WeakPolarHBondContact O-CB 3.45Å; E222-I226 VanDerWaalsContact O-CG1 3.3Å; E222-I226 WeakPolarHBondContact O-CG1 3.24Å; E222-I226 PolarHBondContact O-N 3.43Å; E223-I226 PolarHBondContact O-N 3.02Å; I224-I226 PolarHBondContact O-N 3.49Å; I226-D228 PolarHBondContact O-N 3.48Å; I226-H229 WeakPolarHBondContact O-CB 3.43Å; I226-H229 PolarHBondContact O-N 3.42Å; I226-L230 HydrophobicContact CG2-CD1 3.68Å; I226-L230 HydrophobicContact CG2-CG 4.45Å; I226-L230 VanDerWaalsContact O-CG 3.31Å; I226-L230 WeakPolarHBondContact O-CG 3.34Å; I226-L230 PolarHBondContact O-N 3.34Å; I226-L301 HydrophobicContact CB-CD1 4.21Å; I226-L301 HydrophobicContact CD1-CD1 4.05Å; I226-L301 HydrophobicContact CG1-CD1 3.84Å; I226-L301 HydrophobicContact CG2-CD1 3.49Å; I226-L301 VanDerWaalsContact CG2-CD1 3.49Å; I226-L301 HydrophobicContact CG2-CD2 4.38Å; I226-F326 HydrophobicContact CG2-CB 4.27Å; I226-F326 HydrophobicContact CG2-CD1 3.79Å; I226-F326 HydrophobicContact CG2-CG 4.34Å; I226-F331 HydrophobicContact CG1-CE2 4.12Å; I226-F331 HydrophobicContact CG1-CZ 4.45Å
227	L	96.9	Very high	93.6	Very high	6 Å²	6	57.2 Å²	57.2	3%	0.031	27%	0.265	C	S	.	.	H	α-helix	trans	-66.3	-38.8	-177.9	-73.1	169.6	0	0	0	112.1	E223 I224 H229 L230 R231 I241 I242 M244 F258 F326	E223-L227 HydrophobicContact CG-CD1 3.82Å; E223-L227 HydrophobicContact CG-CG 4.48Å; E223-L227 WeakPolarHBondContact O-CB 3.38Å; E223-L227 VanDerWaalsContact O-CG 3.26Å; E223-L227 WeakPolarHBondContact O-CG 3.28Å; E223-L227 PolarHBondContact O-N 3.22Å; I224-L227 PolarHBondContact O-N 2.79Å; L227-H229 VanDerWaalsContact C-N 3.34Å; L227-L230 PolarHBondContact O-N 3.15Å; L227-R231 VanDerWaalsContact O-CB 3.24Å; L227-R231 WeakPolarHBondContact O-CB 3.43Å; L227-R231 PolarHBondContact O-N 3.48Å; L227-I241 HydrophobicContact CD2-CG2 4.29Å; L227-I242 HydrophobicContact CD2-CG2 4Å; L227-M244 HydrophobicContact CB-CB 4.45Å; L227-M244 HydrophobicContact CD1-CB 4.37Å; L227-F258 HydrophobicContact CD1-CE1 3.64Å; L227-F258 HydrophobicContact CD1-CZ 4.16Å; L227-F326 HydrophobicContact CD2-CB 4.38Å; L227-F326 HydrophobicContact CD2-CD2 3.75Å; L227-F326 HydrophobicContact CD2-CE2 4.24Å; L227-F326 HydrophobicContact CD2-CG 4.07Å; L227-F326 HydrophobicContact CG-CB 4.39Å
228	D	95.4	Very high	93.4	Very high	68 Å²	68	58.6 Å²	58.6	36%	0.364	28%	0.276	S	S	.	.	H	α-helix	trans	-65.3	-39.3	175.5	-166.3	50.9	0	0	0	111.5	I224 I226 R231 R232 M244	I224-D228 WeakPolarHBondContact O-CB 3.41Å; I224-D228 PolarHBondContact O-N 2.71Å; I226-D228 PolarHBondContact O-N 3.48Å; D228-R231 PolarHBondContact O-N 3.44Å; D228-R232 IonicContact OD2-CZ 3.47Å; D228-R232 IonicContact OD2-NH2 3.45Å; D228-R232 PolarHBondContact OD2-NH2 2.89Å; D228-M244 HydrophobicContact CB-CE 4.4Å
229	H	95	Very high	93.6	Very high	57 Å²	57	51.8 Å²	51.8	26%	0.264	25%	0.252	S	S	.	.	H	α-helix	trans	-62.1	-44.4	173.3	-180	68.5	0	0	0	112.8	R225 I226 L227 Q233 N299	R225-H229 WeakPolarHBondContact O-CB 3.18Å; R225-H229 PolarHBondContact O-N 2.84Å; R225-H229 VanDerWaalsContact O-N 3.08Å; I226-H229 WeakPolarHBondContact O-CB 3.43Å; I226-H229 PolarHBondContact O-N 3.42Å; L227-H229 VanDerWaalsContact C-N 3.34Å; H229-Q233 PolarHBondContact NE2-NE2 2.92Å; H229-N299 PolarHBondContact NE2-OD1 3.48Å
230	L	95.5	Very high	93.8	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.005	25%	0.25	C	S	.	.	H	α-helix	trans	-71.2	-35.2	179.2	-68.5	168.1	0	0	0	112.1	I226 L227 R232 Q233 D234 I241 L295 L296 F326	I226-L230 HydrophobicContact CG2-CD1 3.68Å; I226-L230 HydrophobicContact CG2-CG 4.45Å; I226-L230 VanDerWaalsContact O-CG 3.31Å; I226-L230 WeakPolarHBondContact O-CG 3.34Å; I226-L230 PolarHBondContact O-N 3.34Å; L227-L230 PolarHBondContact O-N 3.15Å; L230-R232 PolarHBondContact O-N 2.71Å; L230-Q233 PolarHBondContact O-N 3.14Å; L230-D234 PolarHBondContact O-N 3.14Å; L230-I241 HydrophobicContact CB-CD1 4.35Å; L230-I241 HydrophobicContact CD1-CD1 4.18Å; L230-I241 HydrophobicContact CD2-CD1 4.25Å; L230-I241 HydrophobicContact CG-CD1 4.49Å; L230-L295 HydrophobicContact CD2-CD2 4.33Å; L230-L295 HydrophobicContact CD2-CG 4.31Å; L230-L296 HydrophobicContact CD1-CD2 3.9Å; L230-L296 HydrophobicContact CD2-CD2 3.91Å; L230-F326 HydrophobicContact CD1-CD1 4.11Å; L230-F326 HydrophobicContact CD1-CE1 3.72Å; L230-F326 HydrophobicContact CD1-CZ 4.28Å
231	R	93	Very high	93.9	Very high	91 Å²	91	51.4 Å²	51.4	34%	0.343	25%	0.25	S	S	.	.	H	α-helix	trans	-58.8	-34.8	-178.5	-177.5	56.2	169.3	146.1	-5.9	112.9	L227 D228 Q233 D234 S235 H243	L227-R231 VanDerWaalsContact O-CB 3.24Å; L227-R231 WeakPolarHBondContact O-CB 3.43Å; L227-R231 PolarHBondContact O-N 3.48Å; D228-R231 PolarHBondContact O-N 3.44Å; R231-Q233 PolarHBondContact O-N 3.28Å; R231-D234 PolarHBondContact NH1-O 3.48Å; R231-D234 VanDerWaalsContact NH1-O 3.12Å; R231-D234 CarbonylContact O-C 3.54Å; R231-D234 PolarHBondContact O-N 3.17Å; R231-S235 PolarHBondContact O-N 2.88Å; R231-H243 PolarHBondContact NH1-CE1 3.49Å; R231-H243 PolarHBondContact NH1-ND1 3.34Å; R231-H243 PolarHBondContact NH1-NE2 2.57Å
232	R	91.4	Very high	94	Very high	164 Å²	164	48.4 Å²	48.4	62%	0.619	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-25.8	177.7	-60.8	-178.2	-155.8	120.1	0	112.9	D228 L230	D228-R232 IonicContact OD2-CZ 3.47Å; D228-R232 IonicContact OD2-NH2 3.45Å; D228-R232 PolarHBondContact OD2-NH2 2.89Å; L230-R232 PolarHBondContact O-N 2.71Å
233	Q	92.7	Very high	94.1	Very high	72 Å²	72	46.8 Å²	46.8	34%	0.336	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-19.1	-179.8	-63.6	174.2	64.8	0	0	112.8	H229 L230 R231 L295 N299	H229-Q233 PolarHBondContact NE2-NE2 2.92Å; L230-Q233 PolarHBondContact O-N 3.14Å; R231-Q233 PolarHBondContact O-N 3.28Å; Q233-L295 HydrophobicContact CB-CD1 4.06Å; Q233-L295 HydrophobicContact CB-CD2 4.39Å; Q233-N299 PolarHBondContact NE2-ND2 2.55Å; Q233-N299 PolarHBondContact NE2-OD1 2.89Å; Q233-N299 PolarHBondContact OE1-ND2 3.44Å; Q233-N299 PolarHBondContact OE1-OD1 3.44Å
234	D	92	Very high	94.2	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	23%	0.232	C	C	.	.			trans	-113	48.7	175.8	-168.7	44.3	0	0	0	111.5	L230 R231 D236 G237 T238 H239 H243 L295	L230-D234 PolarHBondContact O-N 3.14Å; R231-D234 PolarHBondContact NH1-O 3.48Å; R231-D234 VanDerWaalsContact NH1-O 3.12Å; R231-D234 CarbonylContact O-C 3.54Å; R231-D234 PolarHBondContact O-N 3.17Å; D234-D236 VanDerWaalsContact C-N 3.33Å; D234-G237 PolarHBondContact O-N 3.32Å; D234-G237 VanDerWaalsContact OD1-C 3.25Å; D234-G237 VanDerWaalsContact OD1-CA 3.28Å; D234-G237 WeakPolarHBondContact OD1-CA 3.35Å; D234-G237 PolarHBondContact OD1-N 3.02Å; D234-T238 PolarHBondContact OD1-N 2.94Å; D234-H239 HydrophobicContact CB-CB 4.25Å; D234-H239 WeakPolarHBondContact OD1-CB 3.32Å; D234-H239 IonicContact OD1-CG 2.84Å; D234-H239 PolarHBondContact OD1-N 3.45Å; D234-H239 IonicContact OD1-ND1 3.35Å; D234-H239 PolarHBondContact OD1-ND1 3.1Å; D234-H239 VanDerWaalsContact OD1-ND1 3.09Å; D234-H243 PolarHBondContact O-NE2 3.43Å; D234-H243 IonicContact OD2-CD2 3.44Å; D234-H243 IonicContact OD2-CE1 3.05Å; D234-H243 IonicContact OD2-NE2 3.69Å; D234-H243 PolarHBondContact OD2-NE2 3.09Å; D234-L295 HydrophobicContact CB-CD2 4.28Å
235	S	87.1	Confident	94.1	Very high	95 Å²	95	50.9 Å²	50.9	66%	0.664	25%	0.248	S	C	*	.	S	Bend	trans	-67.8	-33.9	-179.6	57.8	0	0	0	0	112.2	R231	R231-S235 PolarHBondContact O-N 2.88Å
236	D	88.6	Confident	94.1	Very high	110 Å²	110	47 Å²	47	59%	0.588	24%	0.237	S	C	*	.	S	Bend	trans	-85.8	-8.1	177.2	67.6	3.4	0	0	0	114.1	D234 T238	D234-D236 VanDerWaalsContact C-N 3.33Å; D236-T238 VanDerWaalsContact C-N 3.31Å; D236-T238 HydrophobicContact CB-CG2 4.24Å; D236-T238 VanDerWaalsContact CG-OG1 3.3Å; D236-T238 PolarHBondContact O-N 2.95Å; D236-T238 WeakPolarHBondContact OD1-CB 3.49Å; D236-T238 WeakPolarHBondContact OD1-CG2 3.37Å; D236-T238 PolarHBondContact OD1-N 2.88Å; D236-T238 PolarHBondContact OD1-OG1 2.72Å; D236-T238 VanDerWaalsContact OD2-CG2 3.26Å; D236-T238 WeakPolarHBondContact OD2-CG2 3.48Å; D236-T238 PolarHBondContact OD2-OG1 3.25Å
237	G	88.3	Confident	94.2	Very high	11 Å²	11	52.4 Å²	52.4	11%	0.113	26%	0.259	C	S	.	.	S	Bend	trans	72.1	18.5	178.3	0	0	0	0	0	115.1	D234	D234-G237 PolarHBondContact O-N 3.32Å; D234-G237 VanDerWaalsContact OD1-C 3.25Å; D234-G237 VanDerWaalsContact OD1-CA 3.28Å; D234-G237 WeakPolarHBondContact OD1-CA 3.35Å; D234-G237 PolarHBondContact OD1-N 3.02Å
238	T	92.1	Very high	94.2	Very high	68 Å²	68	54 Å²	54	42%	0.417	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-21.6	-177.7	57.8	0	0	0	0	113.7	D234 D236 N240 L291	D234-T238 PolarHBondContact OD1-N 2.94Å; D236-T238 VanDerWaalsContact C-N 3.31Å; D236-T238 HydrophobicContact CB-CG2 4.24Å; D236-T238 VanDerWaalsContact CG-OG1 3.3Å; D236-T238 PolarHBondContact O-N 2.95Å; D236-T238 WeakPolarHBondContact OD1-CB 3.49Å; D236-T238 WeakPolarHBondContact OD1-CG2 3.37Å; D236-T238 PolarHBondContact OD1-N 2.88Å; D236-T238 PolarHBondContact OD1-OG1 2.72Å; D236-T238 VanDerWaalsContact OD2-CG2 3.26Å; D236-T238 WeakPolarHBondContact OD2-CG2 3.48Å; D236-T238 PolarHBondContact OD2-OG1 3.25Å; T238-N240 VanDerWaalsContact C-N 3.28Å; T238-N240 PolarHBondContact O-N 3.5Å; T238-N240 PolarHBondContact O-ND2 2.93Å; T238-L291 WeakPolarHBondContact O-CD1 3.18Å
239	H	94.9	Very high	94.4	Very high	39 Å²	39	55.7 Å²	55.7	18%	0.181	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-0.4	-179.6	-58.7	85.3	0	0	0	113.5	D234 I241 C292 L295	D234-H239 HydrophobicContact CB-CB 4.25Å; D234-H239 WeakPolarHBondContact OD1-CB 3.32Å; D234-H239 IonicContact OD1-CG 2.84Å; D234-H239 PolarHBondContact OD1-N 3.45Å; D234-H239 IonicContact OD1-ND1 3.35Å; D234-H239 PolarHBondContact OD1-ND1 3.1Å; D234-H239 VanDerWaalsContact OD1-ND1 3.09Å; H239-I241 VanDerWaalsContact C-N 3.35Å; H239-I241 HydrophobicContact CB-CD1 4.49Å; H239-I241 PolarHBondContact O-N 3.42Å; H239-C292 WeakPolarHBondContact O-CA 3.34Å; H239-C292 VanDerWaalsContact O-CB 3.26Å; H239-C292 WeakPolarHBondContact O-CB 3.39Å; H239-C292 PolarHBondContact O-N 3.5Å; H239-C292 VanDerWaalsContact O-N 3.14Å; H239-L295 HydrophobicContact CB-CB 4.31Å; H239-L295 HydrophobicContact CB-CD2 3.68Å
240	N	97.1	Very high	94.5	Very high	9 Å²	9	53 Å²	53	5%	0.048	26%	0.262	C	S	.	.			trans	59.8	40.7	173.5	-54	-56	0	0	0	113.6	T238 S288 K314 I321 K322 V323	T238-N240 VanDerWaalsContact C-N 3.28Å; T238-N240 PolarHBondContact O-N 3.5Å; T238-N240 PolarHBondContact O-ND2 2.93Å; N240-S288 PolarHBondContact ND2-O 2.94Å; N240-S288 VanDerWaalsContact ND2-O 3.07Å; N240-K314 WeakPolarHBondContact OD1-CE 3.16Å; N240-K314 PolarHBondContact OD1-NZ 2.64Å; N240-I321 HydrophobicContact CB-CD1 4.09Å; N240-I321 WeakPolarHBondContact CB-O 3.19Å; N240-I321 PolarHBondContact OD1-O 3.22Å; N240-K322 CarbonylContact O-C 3.58Å; N240-K322 WeakPolarHBondContact O-CA 3.32Å; N240-V323 PolarHBondContact O-N 2.97Å
241	I	97.4	Very high	94.6	Very high	4 Å²	4	53.7 Å²	53.7	2%	0.021	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-101.5	142.2	172.5	-62.9	172.7	0	0	0	108.7	L227 L230 H239 H243 C292 L295 L296 K322 F326	L227-I241 HydrophobicContact CD2-CG2 4.29Å; L230-I241 HydrophobicContact CB-CD1 4.35Å; L230-I241 HydrophobicContact CD1-CD1 4.18Å; L230-I241 HydrophobicContact CD2-CD1 4.25Å; L230-I241 HydrophobicContact CG-CD1 4.49Å; H239-I241 VanDerWaalsContact C-N 3.35Å; H239-I241 HydrophobicContact CB-CD1 4.49Å; H239-I241 PolarHBondContact O-N 3.42Å; I241-H243 PolarHBondContact O-CD2 2.71Å; I241-H243 PolarHBondContact O-N 2.87Å; I241-H243 PolarHBondContact O-NE2 3.45Å; I241-C292 HydrophobicContact CG1-CB 4.29Å; I241-L295 HydrophobicContact CD1-CD2 3.7Å; I241-L296 HydrophobicContact CD1-CD2 4.11Å; I241-K322 WeakPolarHBondContact O-CD 3.43Å; I241-K322 WeakPolarHBondContact O-CE 3.22Å; I241-K322 PolarHBondContact O-NZ 3.43Å; I241-F326 HydrophobicContact CG1-CZ 4.45Å; I241-F326 HydrophobicContact CG2-CE2 3.88Å; I241-F326 HydrophobicContact CG2-CZ 3.89Å
242	I	97.4	Very high	94.7	Very high	11 Å²	11	54.1 Å²	54.1	6%	0.056	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-57.3	134.7	173.1	-171.9	70.9	0	0	0	111.3	L227 F258 E259 L261 V323 I324 F326	L227-I242 HydrophobicContact CD2-CG2 4Å; I242-F258 HydrophobicContact CD1-CB 4.16Å; I242-F258 HydrophobicContact CG1-CB 4.02Å; I242-F258 HydrophobicContact CG1-CD1 3.56Å; I242-F258 HydrophobicContact CG1-CE1 4.32Å; I242-F258 HydrophobicContact CG1-CG 4.08Å; I242-F258 HydrophobicContact CG2-CD1 4.37Å; I242-F258 HydrophobicContact CG2-CE1 4.35Å; I242-E259 HydrophobicContact CD1-CG 3.58Å; I242-L261 HydrophobicContact CD1-CD1 3.49Å; I242-L261 VanDerWaalsContact CD1-CD1 3.49Å; I242-L261 HydrophobicContact CD1-CG 3.87Å; I242-V323 PolarHBondContact N-O 3.33Å; I242-I324 HydrophobicContact CB-CB 4.47Å; I242-I324 HydrophobicContact CB-CG2 4.05Å; I242-I324 HydrophobicContact CD1-CG2 4.23Å; I242-I324 HydrophobicContact CG1-CG2 4.34Å; I242-I324 HydrophobicContact CG2-CB 4.42Å; I242-F326 HydrophobicContact CG2-CD2 4.39Å; I242-F326 HydrophobicContact CG2-CE2 4.36Å
243	H	95.9	Very high	95.1	Very high	20 Å²	20	46.4 Å²	46.4	9%	0.093	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-96	117.4	176.5	-63.2	164	0	0	0	110.5	R231 D234 I241 F258 E259 K322	R231-H243 PolarHBondContact NH1-CE1 3.49Å; R231-H243 PolarHBondContact NH1-ND1 3.34Å; R231-H243 PolarHBondContact NH1-NE2 2.57Å; D234-H243 PolarHBondContact O-NE2 3.43Å; D234-H243 IonicContact OD2-CD2 3.44Å; D234-H243 IonicContact OD2-CE1 3.05Å; D234-H243 IonicContact OD2-NE2 3.69Å; D234-H243 PolarHBondContact OD2-NE2 3.09Å; I241-H243 PolarHBondContact O-CD2 2.71Å; I241-H243 PolarHBondContact O-N 2.87Å; I241-H243 PolarHBondContact O-NE2 3.45Å; H243-F258 WeakPolarHBondContact O-CA 3.49Å; H243-E259 WeakPolarHBondContact CB-OE1 3.41Å; H243-E259 IonicContact CG-OE1 3.84Å; H243-E259 PolarHBondContact N-OE1 3.09Å; H243-E259 IonicContact ND1-OE1 2.67Å; H243-E259 PolarHBondContact O-N 2.83Å; H243-K322 PolarHBondContact CE1-NZ 2.82Å; H243-K322 PolarHBondContact ND1-NZ 2.78Å; H243-K322 VanDerWaalsContact ND1-NZ 3.19Å; H243-K322 PolarHBondContact NE2-NZ 2.82Å
244	M	97	Very high	95.3	Very high	28 Å²	28	44.4 Å²	44.4	14%	0.138	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	135.4	164.7	-178	179	70.1	0	0	109.2	I224 L227 D228 Y247 I256 T257 F258	I224-M244 HydrophobicContact CB-SD 4.42Å; I224-M244 HydrophobicContact CG1-SD 4.09Å; I224-M244 HydrophobicContact CG2-CE 4.11Å; I224-M244 HydrophobicContact CG2-SD 4.24Å; L227-M244 HydrophobicContact CB-CB 4.45Å; L227-M244 HydrophobicContact CD1-CB 4.37Å; D228-M244 HydrophobicContact CB-CE 4.4Å; M244-Y247 HydrophobicContact CE-CD1 3.99Å; M244-Y247 HydrophobicContact CE-CE1 4.5Å; M244-Y247 HydrophobicContact SD-CD1 4.19Å; M244-I256 HydrophobicContact CG-CG2 3.61Å; M244-I256 HydrophobicContact SD-CG2 3.64Å; M244-T257 CarbonylContact C-O 3.56Å; M244-T257 WeakPolarHBondContact CA-O 3.29Å; M244-F258 HydrophobicContact CB-CD1 4.24Å; M244-F258 HydrophobicContact CB-CE1 4.19Å
245	L	96.2	Very high	95.6	Very high	79 Å²	79	44.4 Å²	44.4	41%	0.414	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	-40	-178.8	-57.5	179.6	0	0	0	112.1	V205 T257	V205-L245 HydrophobicContact CG1-CD1 3.79Å; L245-T257 PolarHBondContact N-O 2.92Å
246	D	96.4	Very high	96.2	Very high	53 Å²	53	39.9 Å²	39.9	28%	0.283	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	155.8	-174.7	-151.9	-19.2	0	0	0	109.4	R178 T257	R178-D246 IonicContact CZ-OD2 2.68Å; R178-D246 IonicContact NH1-OD2 3.09Å; R178-D246 PolarHBondContact NH1-OD2 2.91Å; R178-D246 IonicContact NH2-OD2 3.95Å; D246-T257 WeakPolarHBondContact CA-OG1 3.49Å; D246-T257 WeakPolarHBondContact CB-OG1 3.41Å; D246-T257 PolarHBondContact N-OG1 2.84Å; D246-T257 PolarHBondContact O-N 2.87Å; D246-T257 PolarHBondContact O-OG1 3.12Å; D246-T257 VanDerWaalsContact O-OG1 3.08Å
247	Y	97.8	Very high	96.6	Very high	114 Å²	114	34.8 Å²	34.8	45%	0.447	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	142.1	172.5	69.4	-86.6	0	0	0	110.5	I224 M244 C255	I224-Y247 HydrophobicContact CD1-CD2 3.87Å; I224-Y247 HydrophobicContact CD1-CG 3.96Å; I224-Y247 HydrophobicContact CG1-CG 4.33Å; I224-Y247 HydrophobicContact CG2-CD1 3.9Å; I224-Y247 HydrophobicContact CG2-CD2 4.25Å; I224-Y247 HydrophobicContact CG2-CE1 4Å; I224-Y247 HydrophobicContact CG2-CE2 4.34Å; I224-Y247 HydrophobicContact CG2-CG 4.04Å; M244-Y247 HydrophobicContact CE-CD1 3.99Å; M244-Y247 HydrophobicContact CE-CE1 4.5Å; M244-Y247 HydrophobicContact SD-CD1 4.19Å; Y247-C255 CarbonylContact C-O 3.58Å; Y247-C255 VanDerWaalsContact CA-O 3.24Å; Y247-C255 WeakPolarHBondContact CA-O 3.3Å
248	F	98	Very high	97.1	Very high	39 Å²	39	35 Å²	35	17%	0.171	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	173	-176.4	56	-88.4	0	0	0	110.9	I175 A176 Y179 L207 F250 C255 T257	I175-F248 HydrophobicContact CG2-CE2 3.8Å; I175-F248 HydrophobicContact CG2-CZ 3.95Å; A176-F248 HydrophobicContact CB-CD2 3.89Å; A176-F248 HydrophobicContact CB-CE2 3.47Å; A176-F248 VanDerWaalsContact CB-CE2 3.47Å; A176-F248 HydrophobicContact CB-CZ 4.06Å; Y179-F248 HydrophobicContact CD2-CE1 4.17Å; Y179-F248 AromaticContact CD2-CZ 3.78Å; Y179-F248 HydrophobicContact CD2-CZ 3.78Å; Y179-F248 HydrophobicContact CE2-CD1 4.41Å; Y179-F248 AromaticContact CE2-CE1 3.36Å; Y179-F248 HydrophobicContact CE2-CE1 3.36Å; Y179-F248 AromaticContact CE2-CZ 3.44Å; Y179-F248 HydrophobicContact CE2-CZ 3.44Å; Y179-F248 VanDerWaalsContact CE2-CZ 3.44Å; Y179-F248 AromaticContact CZ-CE1 3.93Å; L207-F248 HydrophobicContact CD1-CZ 4.26Å; F248-F250 HydrophobicContact CD2-CB 4.19Å; F248-F250 HydrophobicContact CE2-CB 3.97Å; F248-C255 HydrophobicContact CD1-CB 4.39Å; F248-C255 HydrophobicContact CD2-CB 3.82Å; F248-C255 HydrophobicContact CE1-CB 4.06Å; F248-C255 HydrophobicContact CE2-CB 3.43Å; F248-C255 VanDerWaalsContact CE2-CB 3.43Å; F248-C255 HydrophobicContact CG-CB 4.28Å; F248-C255 HydrophobicContact CZ-CB 3.57Å; F248-C255 PolarHBondContact N-O 3.4Å; F248-C255 PolarHBondContact O-N 3.04Å; F248-T257 HydrophobicContact CE1-CG2 4.13Å
249	N	97.9	Very high	97.4	Very high	104 Å²	104	34.2 Å²	34.2	56%	0.556	17%	0.165	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-104.7	137.7	170.6	-60.1	-45.5	0	0	0	109.7	H253 K254	N249-H253 CarbonylContact C-O 3.12Å; N249-H253 WeakPolarHBondContact CA-O 3.47Å; N249-K254 WeakPolarHBondContact OD1-CG 3.49Å
250	F	98	Very high	97.5	Very high	1 Å²	1	35 Å²	35	0%	0.004	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	122.5	173.6	174.7	-108.4	0	0	0	109.3	Y135 Y167 I175 A176 F248 N252 H253	Y135-F250 WeakPolarHBondContact OH-CD2 3.25Å; Y167-F250 HydrophobicContact CE1-CE1 4.39Å; Y167-F250 HydrophobicContact CE2-CE1 4.17Å; Y167-F250 AromaticContact CZ-CE1 3.76Å; Y167-F250 WeakPolarHBondContact OH-CE1 3.07Å; I175-F250 HydrophobicContact CB-CD1 4.41Å; I175-F250 HydrophobicContact CB-CE1 4.42Å; I175-F250 HydrophobicContact CD1-CD1 3.81Å; I175-F250 HydrophobicContact CD1-CE1 3.45Å; I175-F250 VanDerWaalsContact CD1-CE1 3.45Å; I175-F250 HydrophobicContact CD1-CZ 4.36Å; I175-F250 HydrophobicContact CG1-CE1 4.5Å; I175-F250 HydrophobicContact CG2-CB 4.2Å; I175-F250 HydrophobicContact CG2-CD1 3.73Å; I175-F250 HydrophobicContact CG2-CE1 4.22Å; I175-F250 HydrophobicContact CG2-CG 3.95Å; A176-F250 HydrophobicContact CB-CD2 4.25Å; A176-F250 VanDerWaalsContact N-CD2 3.33Å; F248-F250 HydrophobicContact CD2-CB 4.19Å; F248-F250 HydrophobicContact CE2-CB 3.97Å; F250-N252 VanDerWaalsContact C-N 3.29Å; F250-N252 PolarHBondContact O-N 2.95Å; F250-H253 PolarHBondContact N-O 3.15Å; F250-H253 WeakPolarHBondContact O-CB 3.42Å; F250-H253 PolarHBondContact O-N 2.83Å
251	R	97.1	Very high	97.5	Very high	15 Å²	15	35.7 Å²	35.7	6%	0.057	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.1	51.3	179.9	-63	-179.2	-179.5	166.8	-0.3	113	F127 E128 E131 N157 Y167 H253	F127-R251 HydrophobicContact CE1-CG 4.22Å; E128-R251 IonicContact OE1-NH2 3.72Å; E128-R251 PolarHBondContact OE1-NH2 3.39Å; E131-R251 WeakPolarHBondContact OE1-CG 3.38Å; E131-R251 IonicContact OE1-NE 3.66Å; E131-R251 PolarHBondContact OE1-NE 2.8Å; E131-R251 IonicContact OE2-CZ 3.37Å; E131-R251 IonicContact OE2-NE 3.07Å; E131-R251 PolarHBondContact OE2-NE 3.22Å; E131-R251 IonicContact OE2-NH2 2.73Å; E131-R251 PolarHBondContact OE2-NH2 3.43Å; N157-R251 PolarHBondContact ND2-O 2.92Å; Y167-R251 HydrophobicContact CE2-CB 4.09Å; Y167-R251 PolarHBondContact OH-NH1 2.78Å; R251-H253 PolarHBondContact O-CD2 2.79Å; R251-H253 PolarHBondContact O-N 3.35Å
252	N	96.6	Very high	97.5	Very high	100 Å²	100	37 Å²	37	54%	0.535	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.7	6.3	-177.7	-60.4	-41.3	0	0	0	117	N157 N212 H217 F250	N157-N252 PolarHBondContact OD1-ND2 3.21Å; N212-N252 PolarHBondContact OD1-O 3.17Å; H217-N252 PolarHBondContact CE1-O 3.48Å; H217-N252 PolarHBondContact NE2-O 3.39Å; F250-N252 VanDerWaalsContact C-N 3.29Å; F250-N252 PolarHBondContact O-N 2.95Å
253	H	98.3	Very high	97.5	Very high	1 Å²	1	38 Å²	38	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	137.4	170.1	-63.9	-86.1	0	0	0	111.3	D161 G165 Y167 V210 N249 F250 R251	D161-H253 IonicContact OD1-CD2 3.44Å; D161-H253 IonicContact OD1-CE1 3.59Å; D161-H253 IonicContact OD1-NE2 3.28Å; D161-H253 PolarHBondContact OD1-NE2 2.83Å; D161-H253 IonicContact OD2-CE1 2.74Å; D161-H253 IonicContact OD2-NE2 2.64Å; G165-H253 PolarHBondContact O-CE1 3.3Å; Y167-H253 AromaticContact CD2-CD2 3.46Å; Y167-H253 VanDerWaalsContact CD2-CD2 3.46Å; Y167-H253 WeakPolarHBondContact CD2-CD2 3.39Å; Y167-H253 AromaticContact CD2-NE2 3.49Å; Y167-H253 WeakPolarHBondContact CD2-NE2 3.23Å; Y167-H253 AromaticContact CG-NE2 3.97Å; Y167-H253 PolarHBondContact N-CE1 2.88Å; V210-H253 PolarHBondContact O-ND1 2.96Å; N249-H253 CarbonylContact C-O 3.12Å; N249-H253 WeakPolarHBondContact CA-O 3.47Å; F250-H253 PolarHBondContact N-O 3.15Å; F250-H253 WeakPolarHBondContact O-CB 3.42Å; F250-H253 PolarHBondContact O-N 2.83Å; R251-H253 PolarHBondContact O-CD2 2.79Å; R251-H253 PolarHBondContact O-N 3.35Å
254	K	97.9	Very high	97.6	Very high	31 Å²	31	38.7 Å²	38.7	14%	0.135	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	127.6	161.7	-72.4	-177.9	-176.1	-77.6	0	109.1	V210 H217 A220 D221 N249	V210-K254 HydrophobicContact CB-CB 4.08Å; V210-K254 WeakPolarHBondContact CB-O 3.35Å; V210-K254 HydrophobicContact CG2-CB 4.11Å; V210-K254 WeakPolarHBondContact CG2-O 3.28Å; V210-K254 PolarHBondContact N-O 3.33Å; H217-K254 HydrophobicContact CB-CD 4.08Å; H217-K254 WeakPolarHBondContact O-CE 3.39Å; A220-K254 HydrophobicContact CB-CB 4.28Å; A220-K254 HydrophobicContact CB-CD 3.8Å; D221-K254 VanDerWaalsContact CG-CE 3.48Å; D221-K254 VanDerWaalsContact CG-NZ 3.26Å; D221-K254 WeakPolarHBondContact OD1-CE 3.44Å; D221-K254 IonicContact OD1-NZ 3.98Å; D221-K254 PolarHBondContact OD1-NZ 3.2Å; D221-K254 WeakPolarHBondContact OD2-CE 3.3Å; D221-K254 IonicContact OD2-NZ 3.84Å; D221-K254 PolarHBondContact OD2-NZ 3.08Å; D221-K254 VanDerWaalsContact OD2-NZ 3.15Å; N249-K254 WeakPolarHBondContact OD1-CG 3.49Å
255	C	98.5	Very high	97.6	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.007	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	133	178.9	-64.2	0	0	0	0	109.7	L207 K208 Y247 F248	L207-C255 HydrophobicContact CD2-CB 4.27Å; K208-C255 VanDerWaalsContact O-CA 3.28Å; K208-C255 WeakPolarHBondContact O-CA 3.35Å; Y247-C255 CarbonylContact C-O 3.58Å; Y247-C255 VanDerWaalsContact CA-O 3.24Å; Y247-C255 WeakPolarHBondContact CA-O 3.3Å; F248-C255 HydrophobicContact CD1-CB 4.39Å; F248-C255 HydrophobicContact CD2-CB 3.82Å; F248-C255 HydrophobicContact CE1-CB 4.06Å; F248-C255 HydrophobicContact CE2-CB 3.43Å; F248-C255 VanDerWaalsContact CE2-CB 3.43Å; F248-C255 HydrophobicContact CG-CB 4.28Å; F248-C255 HydrophobicContact CZ-CB 3.57Å; F248-C255 PolarHBondContact N-O 3.4Å; F248-C255 PolarHBondContact O-N 3.04Å
256	I	98.4	Very high	97.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	128.1	176.7	-49.6	171.9	0	0	0	107.9	L207 K208 A220 I224 M244 F258	L207-I256 WeakPolarHBondContact CA-O 3.42Å; K208-I256 HydrophobicContact CB-CB 4.48Å; K208-I256 PolarHBondContact N-O 2.83Å; K208-I256 PolarHBondContact O-N 2.95Å; A220-I256 HydrophobicContact CB-CD1 4.47Å; I224-I256 HydrophobicContact CD1-CD1 4.06Å; I224-I256 HydrophobicContact CD1-CG1 4.09Å; I224-I256 HydrophobicContact CG1-CD1 3.7Å; I224-I256 HydrophobicContact CG1-CG1 4.03Å; M244-I256 HydrophobicContact CG-CG2 3.61Å; M244-I256 HydrophobicContact SD-CG2 3.64Å; I256-F258 HydrophobicContact CB-CE2 3.81Å; I256-F258 HydrophobicContact CB-CZ 4.02Å; I256-F258 HydrophobicContact CG2-CD2 4.3Å; I256-F258 HydrophobicContact CG2-CE1 3.97Å; I256-F258 HydrophobicContact CG2-CE2 3.56Å; I256-F258 HydrophobicContact CG2-CZ 3.38Å
257	T	98.4	Very high	97.8	Very high	2 Å²	2	38 Å²	38	1%	0.012	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	142.9	176.3	60.8	0	0	0	0	110.8	Y179 A206 L207 M244 L245 D246 F248	Y179-T257 HydrophobicContact CD1-CG2 4.48Å; Y179-T257 HydrophobicContact CE1-CG2 3.83Å; Y179-T257 HydrophobicContact CE2-CG2 4.38Å; A206-T257 CarbonylContact O-C 3.58Å; A206-T257 WeakPolarHBondContact O-CA 3.43Å; L207-T257 HydrophobicContact CB-CG2 4.22Å; L207-T257 HydrophobicContact CD1-CG2 4Å; L207-T257 HydrophobicContact CG-CG2 3.83Å; M244-T257 CarbonylContact C-O 3.56Å; M244-T257 WeakPolarHBondContact CA-O 3.29Å; L245-T257 PolarHBondContact N-O 2.92Å; D246-T257 WeakPolarHBondContact CA-OG1 3.49Å; D246-T257 WeakPolarHBondContact CB-OG1 3.41Å; D246-T257 PolarHBondContact N-OG1 2.84Å; D246-T257 PolarHBondContact O-N 2.87Å; D246-T257 PolarHBondContact O-OG1 3.12Å; D246-T257 VanDerWaalsContact O-OG1 3.08Å; F248-T257 HydrophobicContact CE1-CG2 4.13Å
258	F	98.4	Very high	97.8	Very high	16 Å²	16	34.1 Å²	34.1	7%	0.07	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	159.3	-178.2	-58	-86.7	0	0	0	110.1	A206 K208 L227 I242 H243 M244 I256 L260	A206-F258 HydrophobicContact CB-CB 4.34Å; A206-F258 PolarHBondContact N-O 3.42Å; A206-F258 PolarHBondContact O-N 3.34Å; K208-F258 HydrophobicContact CB-CE2 3.94Å; K208-F258 HydrophobicContact CD-CE2 4.26Å; L227-F258 HydrophobicContact CD1-CE1 3.64Å; L227-F258 HydrophobicContact CD1-CZ 4.16Å; I242-F258 HydrophobicContact CD1-CB 4.16Å; I242-F258 HydrophobicContact CG1-CB 4.02Å; I242-F258 HydrophobicContact CG1-CD1 3.56Å; I242-F258 HydrophobicContact CG1-CE1 4.32Å; I242-F258 HydrophobicContact CG1-CG 4.08Å; I242-F258 HydrophobicContact CG2-CD1 4.37Å; I242-F258 HydrophobicContact CG2-CE1 4.35Å; H243-F258 WeakPolarHBondContact O-CA 3.49Å; M244-F258 HydrophobicContact CB-CD1 4.24Å; M244-F258 HydrophobicContact CB-CE1 4.19Å; I256-F258 HydrophobicContact CB-CE2 3.81Å; I256-F258 HydrophobicContact CB-CZ 4.02Å; I256-F258 HydrophobicContact CG2-CD2 4.3Å; I256-F258 HydrophobicContact CG2-CE1 3.97Å; I256-F258 HydrophobicContact CG2-CE2 3.56Å; I256-F258 HydrophobicContact CG2-CZ 3.38Å; F258-L260 PolarHBondContact O-N 3.01Å
259	E	96.9	Very high	97.8	Very high	51 Å²	51	32.4 Å²	32.4	24%	0.238	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.2	139.7	163.2	69.6	-170.7	124.2	0	0	110.4	I242 H243 L261 K322	I242-E259 HydrophobicContact CD1-CG 3.58Å; H243-E259 WeakPolarHBondContact CB-OE1 3.41Å; H243-E259 IonicContact CG-OE1 3.84Å; H243-E259 PolarHBondContact N-OE1 3.09Å; H243-E259 IonicContact ND1-OE1 2.67Å; H243-E259 PolarHBondContact O-N 2.83Å; E259-L261 HydrophobicContact CG-CD2 3.94Å; E259-L261 HydrophobicContact CG-CG 4.26Å; E259-L261 PolarHBondContact O-N 2.89Å; E259-K322 VanDerWaalsContact OE1-CD 3.29Å; E259-K322 WeakPolarHBondContact OE1-CD 3.31Å; E259-K322 WeakPolarHBondContact OE1-CE 3.46Å; E259-K322 IonicContact OE1-NZ 3.09Å; E259-K322 PolarHBondContact OE1-NZ 3.43Å; E259-K322 IonicContact OE2-NZ 3.59Å; E259-K322 PolarHBondContact OE2-NZ 3.47Å
260	L	97.8	Very high	97.8	Very high	56 Å²	56	32.4 Å²	32.4	29%	0.293	16%	0.158	S	C	.	.			trans	-80.7	116.1	177.4	-175.2	67.1	0	0	0	110	I185 K195 A206 F258	I185-L260 HydrophobicContact CD1-CD1 3.97Å; K195-L260 HydrophobicContact CD-CD2 4.02Å; K195-L260 HydrophobicContact CG-CD1 4.45Å; K195-L260 HydrophobicContact CG-CD2 4.03Å; A206-L260 HydrophobicContact CB-CD1 4.1Å; F258-L260 PolarHBondContact O-N 3.01Å
261	L	97.6	Very high	97.8	Very high	24 Å²	24	39.1 Å²	39.1	13%	0.126	18%	0.183	C	C	.	.			trans	-96.9	176	174.2	-58.3	-179.7	0	0	0	111.8	I242 E259 L312 K322 I324	I242-L261 HydrophobicContact CD1-CD1 3.49Å; I242-L261 VanDerWaalsContact CD1-CD1 3.49Å; I242-L261 HydrophobicContact CD1-CG 3.87Å; E259-L261 HydrophobicContact CG-CD2 3.94Å; E259-L261 HydrophobicContact CG-CG 4.26Å; E259-L261 PolarHBondContact O-N 2.89Å; L261-L312 HydrophobicContact CB-CB 3.97Å; L261-L312 HydrophobicContact CB-CD2 3.87Å; L261-L312 HydrophobicContact CD1-CB 3.73Å; L261-L312 HydrophobicContact CD1-CD2 4.24Å; L261-K322 HydrophobicContact CD1-CB 3.82Å; L261-K322 HydrophobicContact CD1-CD 4.43Å; L261-K322 HydrophobicContact CD2-CD 4.2Å; L261-I324 HydrophobicContact CD1-CG2 3.98Å
262	S	97	Very high	97.8	Very high	31 Å²	31	41.4 Å²	41.4	22%	0.217	20%	0.196	C	C	.	.			trans	-88.5	-160.8	174.8	-167.2	0	0	0	0	111.1	L312 L313	S262-L312 WeakPolarHBondContact O-CD2 3.42Å; S262-L313 WeakPolarHBondContact CA-O 3.45Å; S262-L313 VanDerWaalsContact CB-O 3.27Å; S262-L313 WeakPolarHBondContact CB-O 3.29Å; S262-L313 PolarHBondContact N-O 3.07Å
263	I	96.7	Very high	97.9	Very high	31 Å²	31	44.5 Å²	44.5	16%	0.159	21%	0.205	C	C	.	.			trans	-61.9	153.9	-178.3	63.7	174	0	0	0	112.7	E267 L268 L313	I263-E267 HydrophobicContact CB-CB 4.08Å; I263-E267 HydrophobicContact CD1-CB 4.45Å; I263-L268 HydrophobicContact CD1-CB 4.06Å; I263-L268 HydrophobicContact CD1-CD1 4.11Å; I263-L313 HydrophobicContact CD1-CD1 4.46Å; I263-L313 HydrophobicContact CG1-CD1 3.98Å; I263-L313 PolarHBondContact O-N 3.11Å
264	N	97.9	Very high	97.9	Very high	36 Å²	36	47.5 Å²	47.5	19%	0.193	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-75.5	166.6	170.1	67	41.7	0	0	0	112.4	Y266 E267 L268 E309 V311 L312	N264-Y266 VanDerWaalsContact C-N 3.29Å; N264-Y266 PolarHBondContact O-N 3.42Å; N264-Y266 WeakPolarHBondContact OD1-CB 3.44Å; N264-Y266 PolarHBondContact OD1-N 2.89Å; N264-E267 PolarHBondContact O-N 3.13Å; N264-E267 WeakPolarHBondContact OD1-CB 3.44Å; N264-E267 WeakPolarHBondContact OD1-CG 3.4Å; N264-E267 PolarHBondContact OD1-N 3.02Å; N264-L268 PolarHBondContact O-N 3.32Å; N264-E309 VanDerWaalsContact CB-O 3.29Å; N264-E309 WeakPolarHBondContact CB-O 3.32Å; N264-V311 CarbonylContact C-O 3.41Å; N264-V311 VanDerWaalsContact CA-O 3.26Å; N264-V311 WeakPolarHBondContact CA-O 3.46Å; N264-L312 HydrophobicContact CB-CD1 3.6Å; N264-L312 HydrophobicContact CB-CG 3.99Å
265	L	98.5	Very high	97.9	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-67	-28.2	-178	-67.6	-172.6	0	0	0	112.9	L268 I269 F285 P308 V311 L313 I321 L372	L265-L268 HydrophobicContact CD2-CD2 3.97Å; L265-L268 WeakPolarHBondContact O-CB 3.48Å; L265-L268 PolarHBondContact O-N 3.36Å; L265-I269 VanDerWaalsContact O-CG1 3.31Å; L265-I269 WeakPolarHBondContact O-CG1 3.26Å; L265-I269 PolarHBondContact O-N 3.08Å; L265-F285 HydrophobicContact CD2-CD1 4.29Å; L265-F285 HydrophobicContact CD2-CE1 3.9Å; L265-F285 HydrophobicContact CD2-CE2 4.16Å; L265-F285 HydrophobicContact CD2-CZ 3.82Å; L265-P308 HydrophobicContact CB-CB 4.09Å; L265-P308 WeakPolarHBondContact CB-O 3.44Å; L265-P308 PolarHBondContact N-O 3.11Å; L265-V311 HydrophobicContact CD1-CB 3.76Å; L265-V311 HydrophobicContact CD1-CG1 3.52Å; L265-V311 HydrophobicContact CG-CB 3.94Å; L265-V311 HydrophobicContact CG-CG1 3.87Å; L265-V311 WeakPolarHBondContact CG-O 3.37Å; L265-V311 PolarHBondContact N-O 3.12Å; L265-L313 HydrophobicContact CD2-CD2 4.14Å; L265-I321 HydrophobicContact CD2-CG2 4.24Å; L265-L372 HydrophobicContact CB-CD2 4.17Å; L265-L372 HydrophobicContact CD1-CD1 4.07Å; L265-L372 HydrophobicContact CD1-CD2 4.08Å
266	Y	98	Very high	97.8	Very high	77 Å²	77	53 Å²	53	30%	0.302	25%	0.247	S	C	.	.	H	α-helix	trans	-63.9	-48.3	173.6	-178.2	-108.1	0	0	0	111.8	N264 L268 I269 K270 P308 E309	N264-Y266 VanDerWaalsContact C-N 3.29Å; N264-Y266 PolarHBondContact O-N 3.42Å; N264-Y266 WeakPolarHBondContact OD1-CB 3.44Å; N264-Y266 PolarHBondContact OD1-N 2.89Å; Y266-L268 PolarHBondContact O-N 3.34Å; Y266-I269 WeakPolarHBondContact O-CB 3.35Å; Y266-I269 PolarHBondContact O-N 2.8Å; Y266-I269 VanDerWaalsContact O-N 3.15Å; Y266-K270 PolarHBondContact O-N 2.98Å; Y266-P308 PolarHBondContact N-O 3.09Å; Y266-E309 HydrophobicContact CG-CG 4.38Å
267	E	97.9	Very high	97.8	Very high	67 Å²	67	54 Å²	54	31%	0.313	25%	0.251	S	S	.	.	H	α-helix	trans	-63.2	-31.7	175	-72.6	-60.2	146.8	0	0	111.5	I263 N264 K270 R271	I263-E267 HydrophobicContact CB-CB 4.08Å; I263-E267 HydrophobicContact CD1-CB 4.45Å; N264-E267 PolarHBondContact O-N 3.13Å; N264-E267 WeakPolarHBondContact OD1-CB 3.44Å; N264-E267 WeakPolarHBondContact OD1-CG 3.4Å; N264-E267 PolarHBondContact OD1-N 3.02Å; E267-K270 PolarHBondContact O-N 3Å; E267-R271 WeakPolarHBondContact O-CB 3.29Å; E267-R271 VanDerWaalsContact O-CG 3.29Å; E267-R271 WeakPolarHBondContact O-CG 3.42Å; E267-R271 PolarHBondContact O-N 3.49Å
268	L	98.1	Very high	97.8	Very high	34 Å²	34	57.5 Å²	57.5	18%	0.178	28%	0.275	C	S	.	.	H	α-helix	trans	-65.5	-45.3	172.1	-173.4	65.5	0	0	0	111.9	I263 N264 L265 Y266 K270 R271 N272 F277 F285 L313	I263-L268 HydrophobicContact CD1-CB 4.06Å; I263-L268 HydrophobicContact CD1-CD1 4.11Å; N264-L268 PolarHBondContact O-N 3.32Å; L265-L268 HydrophobicContact CD2-CD2 3.97Å; L265-L268 WeakPolarHBondContact O-CB 3.48Å; L265-L268 PolarHBondContact O-N 3.36Å; Y266-L268 PolarHBondContact O-N 3.34Å; L268-K270 VanDerWaalsContact C-N 3.3Å; L268-K270 PolarHBondContact O-N 3.34Å; L268-R271 PolarHBondContact O-N 3.09Å; L268-N272 WeakPolarHBondContact O-CB 3.24Å; L268-N272 PolarHBondContact O-N 3.37Å; L268-F277 HydrophobicContact CB-CZ 4.39Å; L268-F277 HydrophobicContact CD2-CE1 4.49Å; L268-F277 HydrophobicContact CD2-CE2 4.45Å; L268-F277 HydrophobicContact CD2-CZ 4Å; L268-F277 HydrophobicContact CG-CE1 4.22Å; L268-F277 HydrophobicContact CG-CZ 3.7Å; L268-F285 HydrophobicContact CD2-CE2 4.17Å; L268-F285 HydrophobicContact CD2-CZ 3.79Å; L268-L313 HydrophobicContact CD1-CD1 4.19Å; L268-L313 HydrophobicContact CD2-CD1 4.18Å; L268-L313 HydrophobicContact CD2-CD2 4.31Å
269	I	98.4	Very high	97.7	Very high	2 Å²	2	58.3 Å²	58.3	1%	0.01	28%	0.281	C	S	.	.	H	α-helix	trans	-57.2	-46.3	174.6	-68.2	160.9	0	0	0	110.2	L265 Y266 N272 K273 F274 F277 E371 L372	L265-I269 VanDerWaalsContact O-CG1 3.31Å; L265-I269 WeakPolarHBondContact O-CG1 3.26Å; L265-I269 PolarHBondContact O-N 3.08Å; Y266-I269 WeakPolarHBondContact O-CB 3.35Å; Y266-I269 PolarHBondContact O-N 2.8Å; Y266-I269 VanDerWaalsContact O-N 3.15Å; I269-N272 CarbonylContact O-C 3.58Å; I269-N272 VanDerWaalsContact O-C 3.31Å; I269-N272 WeakPolarHBondContact O-CA 3.26Å; I269-N272 PolarHBondContact O-N 3.18Å; I269-N272 VanDerWaalsContact O-N 3.16Å; I269-K273 PolarHBondContact O-N 2.94Å; I269-F274 HydrophobicContact CG2-CD1 3.62Å; I269-F274 HydrophobicContact CG2-CE1 4.16Å; I269-F274 HydrophobicContact CG2-CG 4.37Å; I269-F274 PolarHBondContact O-N 2.74Å; I269-F277 HydrophobicContact CG1-CE2 3.62Å; I269-F277 HydrophobicContact CG1-CZ 4.1Å; I269-E371 HydrophobicContact CD1-CG 3.89Å; I269-L372 HydrophobicContact CD1-CD2 4.03Å; I269-L372 HydrophobicContact CG1-CD2 4.15Å
270	K	98.1	Very high	97.6	Very high	105 Å²	105	60.5 Å²	60.5	46%	0.457	29%	0.292	S	S	.	.	H	α-helix	trans	-64.1	-43.2	179.6	-175.7	179.3	176.8	-175.1	0	112.4	Y266 E267 L268 N272 K273 F274	Y266-K270 PolarHBondContact O-N 2.98Å; E267-K270 PolarHBondContact O-N 3Å; L268-K270 VanDerWaalsContact C-N 3.3Å; L268-K270 PolarHBondContact O-N 3.34Å; K270-N272 PolarHBondContact O-N 3.41Å; K270-K273 WeakPolarHBondContact O-CA 3.24Å; K270-K273 PolarHBondContact O-N 3.28Å; K270-F274 HydrophobicContact CB-CE2 4.49Å; K270-F274 HydrophobicContact CB-CZ 4.05Å; K270-F274 HydrophobicContact CG-CE2 4.19Å; K270-F274 HydrophobicContact CG-CZ 3.98Å
271	R	97.3	Very high	97.6	Very high	142 Å²	142	60.1 Å²	60.1	54%	0.536	29%	0.29	S	S	.	.	H	α-helix	trans	-61.7	-32.5	173.7	-77.1	-179.1	-175.3	-164.1	-0.2	112.1	E267 L268 K273	E267-R271 WeakPolarHBondContact O-CB 3.29Å; E267-R271 VanDerWaalsContact O-CG 3.29Å; E267-R271 WeakPolarHBondContact O-CG 3.42Å; E267-R271 PolarHBondContact O-N 3.49Å; L268-R271 PolarHBondContact O-N 3.09Å; R271-K273 PolarHBondContact O-N 3.08Å
272	N	97.1	Very high	97.7	Very high	63 Å²	63	59 Å²	59	34%	0.337	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	16.6	171.6	-163.6	44.9	0	0	0	113.3	L268 I269 K270 F274 Q275 G276 F277	L268-N272 WeakPolarHBondContact O-CB 3.24Å; L268-N272 PolarHBondContact O-N 3.37Å; I269-N272 CarbonylContact O-C 3.58Å; I269-N272 VanDerWaalsContact O-C 3.31Å; I269-N272 WeakPolarHBondContact O-CA 3.26Å; I269-N272 PolarHBondContact O-N 3.18Å; I269-N272 VanDerWaalsContact O-N 3.16Å; K270-N272 PolarHBondContact O-N 3.41Å; N272-F274 PolarHBondContact O-N 2.94Å; N272-Q275 WeakPolarHBondContact O-CB 3.5Å; N272-Q275 WeakPolarHBondContact O-CG 3.49Å; N272-Q275 PolarHBondContact O-N 3.49Å; N272-Q275 VanDerWaalsContact O-N 3.09Å; N272-G276 PolarHBondContact ND2-O 2.77Å; N272-F277 HydrophobicContact CB-CE1 3.69Å; N272-F277 HydrophobicContact CB-CZ 4.14Å; N272-F277 WeakPolarHBondContact ND2-CE1 3.3Å
273	K	98.2	Very high	97.7	Very high	164 Å²	164	59.1 Å²	59.1	71%	0.713	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	35.8	176	-55.7	179.8	-178.8	178.5	0	113.5	I269 K270 R271 Q275	I269-K273 PolarHBondContact O-N 2.94Å; K270-K273 WeakPolarHBondContact O-CA 3.24Å; K270-K273 PolarHBondContact O-N 3.28Å; R271-K273 PolarHBondContact O-N 3.08Å; K273-Q275 HydrophobicContact CB-CG 4.46Å; K273-Q275 PolarHBondContact O-N 3.06Å; K273-Q275 VanDerWaalsContact O-N 3.11Å; K273-Q275 PolarHBondContact O-NE2 3.28Å
274	F	98	Very high	97.7	Very high	64 Å²	64	62 Å²	62	28%	0.281	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.1	25.7	179.4	-50.4	-87.8	0	0	0	114.4	I269 K270 N272 G276 G375 Y376	I269-F274 HydrophobicContact CG2-CD1 3.62Å; I269-F274 HydrophobicContact CG2-CE1 4.16Å; I269-F274 HydrophobicContact CG2-CG 4.37Å; I269-F274 PolarHBondContact O-N 2.74Å; K270-F274 HydrophobicContact CB-CE2 4.49Å; K270-F274 HydrophobicContact CB-CZ 4.05Å; K270-F274 HydrophobicContact CG-CE2 4.19Å; K270-F274 HydrophobicContact CG-CZ 3.98Å; N272-F274 PolarHBondContact O-N 2.94Å; F274-G276 PolarHBondContact O-N 3.4Å; F274-G375 WeakPolarHBondContact CD1-O 3.35Å; F274-Y376 HydrophobicContact CB-CE2 3.84Å; F274-Y376 WeakPolarHBondContact O-CE2 3.48Å
275	Q	98	Very high	97.7	Very high	140 Å²	140	60.4 Å²	60.4	65%	0.654	28%	0.282	S	S	*	.			trans	-77.9	-6.2	177.9	-64.5	-59.8	-51.9	0	0	113.5	N272 K273	N272-Q275 WeakPolarHBondContact O-CB 3.5Å; N272-Q275 WeakPolarHBondContact O-CG 3.49Å; N272-Q275 PolarHBondContact O-N 3.49Å; N272-Q275 VanDerWaalsContact O-N 3.09Å; K273-Q275 HydrophobicContact CB-CG 4.46Å; K273-Q275 PolarHBondContact O-N 3.06Å; K273-Q275 VanDerWaalsContact O-N 3.11Å; K273-Q275 PolarHBondContact O-NE2 3.28Å
276	G	97.8	Very high	97.7	Very high	9 Å²	9	60.4 Å²	60.4	9%	0.093	28%	0.282	C	S	.	.			trans	75.2	168.8	-173	0	0	0	0	0	113.1	N272 F274 L373	N272-G276 PolarHBondContact ND2-O 2.77Å; F274-G276 PolarHBondContact O-N 3.4Å; G276-L373 WeakPolarHBondContact CA-O 3.17Å
277	F	98.3	Very high	97.8	Very high	19 Å²	19	62.4 Å²	62.4	8%	0.083	29%	0.29	C	S	.	.			trans	-111.8	158	-179.3	-59.9	-60	0	0	0	111.7	L268 I269 N272 L281 V282 L372 L373	L268-F277 HydrophobicContact CB-CZ 4.39Å; L268-F277 HydrophobicContact CD2-CE1 4.49Å; L268-F277 HydrophobicContact CD2-CE2 4.45Å; L268-F277 HydrophobicContact CD2-CZ 4Å; L268-F277 HydrophobicContact CG-CE1 4.22Å; L268-F277 HydrophobicContact CG-CZ 3.7Å; I269-F277 HydrophobicContact CG1-CE2 3.62Å; I269-F277 HydrophobicContact CG1-CZ 4.1Å; N272-F277 HydrophobicContact CB-CE1 3.69Å; N272-F277 HydrophobicContact CB-CZ 4.14Å; N272-F277 WeakPolarHBondContact ND2-CE1 3.3Å; F277-L281 HydrophobicContact CB-CB 4.4Å; F277-L281 HydrophobicContact CB-CD2 4.11Å; F277-L281 HydrophobicContact CB-CG 4.46Å; F277-L281 HydrophobicContact CD1-CD2 3.87Å; F277-L281 HydrophobicContact CG-CD2 4.03Å; F277-V282 HydrophobicContact CB-CG2 4.05Å; F277-L372 HydrophobicContact CD2-CB 4.09Å; F277-L372 HydrophobicContact CD2-CD2 3.93Å; F277-L372 WeakPolarHBondContact CD2-O 3.43Å; F277-L372 HydrophobicContact CE2-CD2 3.75Å; F277-L372 PolarHBondContact N-O 3.47Å; F277-L373 PolarHBondContact N-O 3.13Å; F277-L373 WeakPolarHBondContact O-CD1 3.33Å
278	S	97.8	Very high	97.8	Very high	76 Å²	76	60.1 Å²	60.1	53%	0.531	28%	0.282	S	S	.	.			trans	-61.9	146.2	172.7	70.6	0	0	0	0	111.2	M280 L281 V282	S278-M280 PolarHBondContact O-N 2.88Å; S278-L281 PolarHBondContact O-N 3.44Å; S278-L281 PolarHBondContact OG-N 2.91Å; S278-V282 WeakPolarHBondContact O-CG2 3.45Å; S278-V282 PolarHBondContact O-N 3.3Å
279	L	96.2	Very high	97.8	Very high	34 Å²	34	58.5 Å²	58.5	18%	0.178	27%	0.273	C	S	.	.	H	α-helix	trans	-54	-30.8	175.9	-79.2	171.8	0	0	0	112.7	R283 L373 D462 F465	L279-R283 WeakPolarHBondContact O-CB 3.38Å; L279-R283 PolarHBondContact O-N 2.9Å; L279-L373 HydrophobicContact CD2-CD1 3.7Å; L279-L373 HydrophobicContact CD2-CD2 3.97Å; L279-L373 HydrophobicContact CD2-CG 4.45Å; L279-L373 HydrophobicContact CG-CD1 3.89Å; L279-D462 HydrophobicContact CD1-CB 4.13Å; L279-F465 HydrophobicContact CD2-CB 4.12Å; L279-F465 HydrophobicContact CD2-CD1 4Å; L279-F465 HydrophobicContact CD2-CD2 4.26Å; L279-F465 HydrophobicContact CD2-CE1 4.49Å; L279-F465 HydrophobicContact CD2-CG 3.85Å
280	M	95.9	Very high	97.8	Very high	97 Å²	97	58.4 Å²	58.4	48%	0.478	27%	0.273	S	S	.	.	H	α-helix	trans	-64.1	-42	174.8	-69	-175.4	72.4	0	0	112.7	S278 K284 L496	S278-M280 PolarHBondContact O-N 2.88Å; M280-K284 PolarHBondContact O-N 2.64Å; M280-L496 HydrophobicContact CE-CD2 3.95Å
281	L	97.3	Very high	97.8	Very high	47 Å²	47	55.2 Å²	55.2	25%	0.246	26%	0.26	C	S	.	.	H	α-helix	trans	-72.8	-42.3	177.4	-178.5	57.2	0	0	0	111.2	F277 S278 R283 K284 F285	F277-L281 HydrophobicContact CB-CB 4.4Å; F277-L281 HydrophobicContact CB-CD2 4.11Å; F277-L281 HydrophobicContact CB-CG 4.46Å; F277-L281 HydrophobicContact CD1-CD2 3.87Å; F277-L281 HydrophobicContact CG-CD2 4.03Å; S278-L281 PolarHBondContact O-N 3.44Å; S278-L281 PolarHBondContact OG-N 2.91Å; L281-R283 VanDerWaalsContact C-N 3.25Å; L281-R283 PolarHBondContact O-N 3.35Å; L281-K284 WeakPolarHBondContact O-CB 3.33Å; L281-K284 PolarHBondContact O-N 2.93Å; L281-K284 VanDerWaalsContact O-N 3.08Å; L281-F285 HydrophobicContact CD1-CD2 4.27Å; L281-F285 HydrophobicContact CD1-CE1 4.38Å; L281-F285 HydrophobicContact CD1-CE2 3.73Å; L281-F285 HydrophobicContact CD1-CZ 3.79Å; L281-F285 HydrophobicContact CD2-CE2 3.99Å; L281-F285 HydrophobicContact CD2-CZ 4.42Å; L281-F285 HydrophobicContact CG-CD2 4.05Å; L281-F285 HydrophobicContact CG-CE2 3.55Å; L281-F285 HydrophobicContact CG-CZ 4.1Å; L281-F285 WeakPolarHBondContact O-CD2 3.5Å; L281-F285 PolarHBondContact O-N 2.93Å
282	V	98.5	Very high	97.9	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-56.7	-41.7	173.9	179.7	0	0	0	0	110.7	F277 S278 K284 F285 A286 L369 L372 L373 F465 W491	F277-V282 HydrophobicContact CB-CG2 4.05Å; S278-V282 WeakPolarHBondContact O-CG2 3.45Å; S278-V282 PolarHBondContact O-N 3.3Å; V282-K284 PolarHBondContact O-N 3.08Å; V282-F285 PolarHBondContact O-N 3.35Å; V282-A286 WeakPolarHBondContact O-CB 3.22Å; V282-A286 PolarHBondContact O-N 3.15Å; V282-L369 HydrophobicContact CG1-CB 4.22Å; V282-L369 HydrophobicContact CG1-CD2 3.97Å; V282-L372 HydrophobicContact CG1-CB 4.48Å; V282-L372 HydrophobicContact CG2-CB 4.06Å; V282-L373 HydrophobicContact CG2-CB 4.19Å; V282-L373 HydrophobicContact CG2-CD1 4.42Å; V282-F465 HydrophobicContact CG1-CE2 4.08Å; V282-F465 HydrophobicContact CG1-CZ 4.3Å; V282-W491 HydrophobicContact CG1-CH2 4.19Å; V282-W491 HydrophobicContact CG1-CZ2 4.28Å
283	R	97.4	Very high	97.9	Very high	34 Å²	34	45.8 Å²	45.8	13%	0.128	22%	0.221	C	C	.	.	H	α-helix	trans	-61.1	-41.3	175	-174.2	-179.2	-63.1	99.6	5.9	112.9	L279 L281 A286 Y287 W491 L492	L279-R283 WeakPolarHBondContact O-CB 3.38Å; L279-R283 PolarHBondContact O-N 2.9Å; L281-R283 VanDerWaalsContact C-N 3.25Å; L281-R283 PolarHBondContact O-N 3.35Å; R283-A286 PolarHBondContact O-N 3.18Å; R283-Y287 PolarHBondContact O-N 3.21Å; R283-W491 HydrophobicContact CB-CH2 4.34Å; R283-W491 HydrophobicContact CB-CZ2 3.94Å; R283-W491 WeakPolarHBondContact CD-O 3.11Å; R283-W491 HydrophobicContact CG-CZ2 4.47Å; R283-W491 PolarHBondContact NE-O 3.39Å; R283-L492 HydrophobicContact CG-CD2 3.68Å
284	K	97.2	Very high	98	Very high	92 Å²	92	38.9 Å²	38.9	40%	0.4	19%	0.192	S	C	.	.	H	α-helix	trans	-62.8	-46	175.9	-73.1	-179	178.1	-176.4	0	111.3	M280 L281 V282 Y287 S288	M280-K284 PolarHBondContact O-N 2.64Å; L281-K284 WeakPolarHBondContact O-CB 3.33Å; L281-K284 PolarHBondContact O-N 2.93Å; L281-K284 VanDerWaalsContact O-N 3.08Å; V282-K284 PolarHBondContact O-N 3.08Å; K284-Y287 PolarHBondContact O-N 3.17Å; K284-S288 PolarHBondContact O-N 3.3Å; K284-S288 VanDerWaalsContact O-N 3.08Å; K284-S288 PolarHBondContact O-OG 3.17Å
285	F	98.6	Very high	98	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.009	18%	0.18	C	C	.	.	H	α-helix	trans	-63.7	-41.9	176.2	-67	-43.8	0	0	0	112.3	L265 L268 L281 V282 Y287 S288 M289 L313 S319 I321 L372	L265-F285 HydrophobicContact CD2-CD1 4.29Å; L265-F285 HydrophobicContact CD2-CE1 3.9Å; L265-F285 HydrophobicContact CD2-CE2 4.16Å; L265-F285 HydrophobicContact CD2-CZ 3.82Å; L268-F285 HydrophobicContact CD2-CE2 4.17Å; L268-F285 HydrophobicContact CD2-CZ 3.79Å; L281-F285 HydrophobicContact CD1-CD2 4.27Å; L281-F285 HydrophobicContact CD1-CE1 4.38Å; L281-F285 HydrophobicContact CD1-CE2 3.73Å; L281-F285 HydrophobicContact CD1-CZ 3.79Å; L281-F285 HydrophobicContact CD2-CE2 3.99Å; L281-F285 HydrophobicContact CD2-CZ 4.42Å; L281-F285 HydrophobicContact CG-CD2 4.05Å; L281-F285 HydrophobicContact CG-CE2 3.55Å; L281-F285 HydrophobicContact CG-CZ 4.1Å; L281-F285 WeakPolarHBondContact O-CD2 3.5Å; L281-F285 PolarHBondContact O-N 2.93Å; V282-F285 PolarHBondContact O-N 3.35Å; F285-Y287 PolarHBondContact O-N 2.88Å; F285-S288 PolarHBondContact O-N 3.29Å; F285-M289 HydrophobicContact CB-CE 4.18Å; F285-M289 WeakPolarHBondContact O-CB 3.46Å; F285-M289 WeakPolarHBondContact O-CE 3.26Å; F285-M289 WeakPolarHBondContact O-CG 3.38Å; F285-M289 PolarHBondContact O-N 3.16Å; F285-L313 HydrophobicContact CE1-CD2 3.85Å; F285-L313 HydrophobicContact CZ-CD2 4.11Å; F285-S319 WeakPolarHBondContact CE1-O 3.28Å; F285-I321 HydrophobicContact CD1-CG2 3.67Å; F285-I321 HydrophobicContact CE1-CG2 3.65Å; F285-L372 HydrophobicContact CB-CD1 4.12Å; F285-L372 HydrophobicContact CD2-CD1 4.06Å; F285-L372 HydrophobicContact CG-CD1 4.46Å
286	A	98.7	Very high	98	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-56.6	-50	174.9	0	0	0	0	0	111.7	V282 R283 S288 M289 L290 L369 W491 L492	V282-A286 WeakPolarHBondContact O-CB 3.22Å; V282-A286 PolarHBondContact O-N 3.15Å; R283-A286 PolarHBondContact O-N 3.18Å; A286-S288 PolarHBondContact O-N 3.4Å; A286-M289 PolarHBondContact O-N 3.46Å; A286-L290 WeakPolarHBondContact O-CB 3.34Å; A286-L290 WeakPolarHBondContact O-CD1 3.3Å; A286-L290 VanDerWaalsContact O-CG 3.22Å; A286-L290 WeakPolarHBondContact O-CG 3.19Å; A286-L290 PolarHBondContact O-N 3.42Å; A286-L369 HydrophobicContact CB-CD1 3.76Å; A286-L369 HydrophobicContact CB-CD2 3.62Å; A286-L369 HydrophobicContact CB-CG 4.34Å; A286-W491 HydrophobicContact CB-CH2 3.65Å; A286-W491 HydrophobicContact CB-CZ3 3.6Å; A286-L492 HydrophobicContact CB-CD2 4.08Å
287	Y	98.3	Very high	98	Very high	120 Å²	120	31.7 Å²	31.7	47%	0.471	16%	0.157	S	C	.	.	H	α-helix	trans	-58.3	-49	178.2	-177.9	-97.2	0	0	0	111.8	R283 K284 F285 M289 L290 L291 L487	R283-Y287 PolarHBondContact O-N 3.21Å; K284-Y287 PolarHBondContact O-N 3.17Å; F285-Y287 PolarHBondContact O-N 2.88Å; Y287-M289 PolarHBondContact O-N 3.3Å; Y287-L290 PolarHBondContact O-N 2.84Å; Y287-L291 HydrophobicContact CD1-CD1 4.17Å; Y287-L291 HydrophobicContact CD1-CG 4.47Å; Y287-L291 HydrophobicContact CE1-CD1 3.64Å; Y287-L291 HydrophobicContact CE1-CD2 4.35Å; Y287-L291 HydrophobicContact CE1-CG 4.12Å; Y287-L291 WeakPolarHBondContact O-CG 3.31Å; Y287-L291 PolarHBondContact O-N 3.36Å; Y287-L291 VanDerWaalsContact O-N 3.11Å; Y287-L487 HydrophobicContact CD2-CD2 3.76Å; Y287-L487 HydrophobicContact CE2-CD2 3.77Å
288	S	97.9	Very high	97.9	Very high	19 Å²	19	37.2 Å²	37.2	13%	0.133	18%	0.181	C	C	.	.	H	α-helix	trans	-63.8	-39.2	180	-65.8	0	0	0	0	113.5	N240 K284 F285 A286 L291 I321	N240-S288 PolarHBondContact ND2-O 2.94Å; N240-S288 VanDerWaalsContact ND2-O 3.07Å; K284-S288 PolarHBondContact O-N 3.3Å; K284-S288 VanDerWaalsContact O-N 3.08Å; K284-S288 PolarHBondContact O-OG 3.17Å; F285-S288 PolarHBondContact O-N 3.29Å; A286-S288 PolarHBondContact O-N 3.4Å; S288-L291 PolarHBondContact O-N 3.43Å; S288-I321 VanDerWaalsContact CB-CG1 3.47Å
289	M	98.8	Very high	97.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-67.2	-37.7	174.9	-72.8	-175.2	-74.5	0	0	111.6	F285 A286 Y287 L291 C292 L293 V311 I321 L365 I368 L369 L372	F285-M289 HydrophobicContact CB-CE 4.18Å; F285-M289 WeakPolarHBondContact O-CB 3.46Å; F285-M289 WeakPolarHBondContact O-CE 3.26Å; F285-M289 WeakPolarHBondContact O-CG 3.38Å; F285-M289 PolarHBondContact O-N 3.16Å; A286-M289 PolarHBondContact O-N 3.46Å; Y287-M289 PolarHBondContact O-N 3.3Å; M289-L291 VanDerWaalsContact C-N 3.33Å; M289-L291 PolarHBondContact O-N 3.32Å; M289-C292 WeakPolarHBondContact O-CB 2.98Å; M289-C292 PolarHBondContact O-N 3.04Å; M289-C292 VanDerWaalsContact O-N 3.15Å; M289-L293 WeakPolarHBondContact O-CG 3.34Å; M289-L293 PolarHBondContact O-N 2.74Å; M289-V311 HydrophobicContact CG-CG1 4.28Å; M289-V311 HydrophobicContact CG-CG2 4.45Å; M289-V311 HydrophobicContact SD-CG1 4.35Å; M289-V311 HydrophobicContact SD-CG2 3.95Å; M289-I321 HydrophobicContact CG-CD1 4.1Å; M289-L365 HydrophobicContact CB-CD1 3.89Å; M289-L365 HydrophobicContact CE-CD1 3.52Å; M289-L365 HydrophobicContact SD-CD1 3.87Å; M289-I368 HydrophobicContact CE-CG2 4.06Å; M289-I368 HydrophobicContact SD-CG2 4.2Å; M289-L369 HydrophobicContact CE-CD2 3.59Å; M289-L372 HydrophobicContact CE-CD1 4.35Å
290	L	98.7	Very high	97.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-66.1	-32.2	177.9	-76.8	167	0	0	0	113.4	A286 Y287 C292 L293 D294 M362 L365 F468 P483 A486 L487 L492	A286-L290 WeakPolarHBondContact O-CB 3.34Å; A286-L290 WeakPolarHBondContact O-CD1 3.3Å; A286-L290 VanDerWaalsContact O-CG 3.22Å; A286-L290 WeakPolarHBondContact O-CG 3.19Å; A286-L290 PolarHBondContact O-N 3.42Å; Y287-L290 PolarHBondContact O-N 2.84Å; L290-C292 VanDerWaalsContact C-N 3.26Å; L290-C292 PolarHBondContact O-N 2.81Å; L290-L293 PolarHBondContact O-N 3.02Å; L290-D294 VanDerWaalsContact O-CB 3.25Å; L290-D294 WeakPolarHBondContact O-CB 3.36Å; L290-D294 PolarHBondContact O-N 3Å; L290-M362 HydrophobicContact CD2-CE 4.04Å; L290-M362 HydrophobicContact CD2-SD 3.96Å; L290-L365 HydrophobicContact CD2-CD2 3.59Å; L290-L365 HydrophobicContact CG-CD2 3.93Å; L290-F468 HydrophobicContact CD1-CZ 4.13Å; L290-P483 HydrophobicContact CD2-CB 4.05Å; L290-A486 HydrophobicContact CD1-CB 3.84Å; L290-A486 HydrophobicContact CD2-CB 3.57Å; L290-A486 HydrophobicContact CG-CB 4.38Å; L290-L487 HydrophobicContact CB-CD2 3.73Å; L290-L487 HydrophobicContact CB-CG 3.98Å; L290-L487 HydrophobicContact CD1-CD2 4.25Å; L290-L487 HydrophobicContact CD1-CG 4.43Å; L290-L492 HydrophobicContact CD1-CD1 3.26Å
291	L	98.1	Very high	98	Very high	38 Å²	38	35.2 Å²	35.2	20%	0.199	16%	0.155	C	C	.	.	H	α-helix	trans	-60.9	-38.4	172.3	-65.5	179.7	0	0	0	111.7	T238 Y287 S288 M289 L295 L487	T238-L291 WeakPolarHBondContact O-CD1 3.18Å; Y287-L291 HydrophobicContact CD1-CD1 4.17Å; Y287-L291 HydrophobicContact CD1-CG 4.47Å; Y287-L291 HydrophobicContact CE1-CD1 3.64Å; Y287-L291 HydrophobicContact CE1-CD2 4.35Å; Y287-L291 HydrophobicContact CE1-CG 4.12Å; Y287-L291 WeakPolarHBondContact O-CG 3.31Å; Y287-L291 PolarHBondContact O-N 3.36Å; Y287-L291 VanDerWaalsContact O-N 3.11Å; S288-L291 PolarHBondContact O-N 3.43Å; M289-L291 VanDerWaalsContact C-N 3.33Å; M289-L291 PolarHBondContact O-N 3.32Å; L291-L295 PolarHBondContact O-N 3.06Å; L291-L487 HydrophobicContact CD2-CD2 4.41Å
292	C	98.5	Very high	98.1	Very high	0 Å²	0	33 Å²	33	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-65.5	-55	172.6	175.4	0	0	0	0	110.4	H239 I241 M289 L290 D294 L295 L296 V323	H239-C292 WeakPolarHBondContact O-CA 3.34Å; H239-C292 VanDerWaalsContact O-CB 3.26Å; H239-C292 WeakPolarHBondContact O-CB 3.39Å; H239-C292 PolarHBondContact O-N 3.5Å; H239-C292 VanDerWaalsContact O-N 3.14Å; I241-C292 HydrophobicContact CG1-CB 4.29Å; M289-C292 WeakPolarHBondContact O-CB 2.98Å; M289-C292 PolarHBondContact O-N 3.04Å; M289-C292 VanDerWaalsContact O-N 3.15Å; L290-C292 VanDerWaalsContact C-N 3.26Å; L290-C292 PolarHBondContact O-N 2.81Å; C292-D294 VanDerWaalsContact C-N 3.27Å; C292-D294 PolarHBondContact O-N 3.42Å; C292-L295 WeakPolarHBondContact O-CB 3.05Å; C292-L295 PolarHBondContact O-N 3.33Å; C292-L295 VanDerWaalsContact O-N 3.08Å; C292-L296 WeakPolarHBondContact O-CG 3.31Å; C292-L296 PolarHBondContact O-N 3.03Å; C292-V323 HydrophobicContact CB-CB 4.47Å; C292-V323 HydrophobicContact CB-CG2 3.85Å
293	L	98.7	Very high	98	Very high	7 Å²	7	33 Å²	33	4%	0.037	14%	0.144	C	C	.	.	H	α-helix	trans	-62.2	-32.7	-175.2	-63.7	-178.1	0	0	0	113.1	M289 L290 L296 Q297 L306 D361 M362 L365 P483	M289-L293 WeakPolarHBondContact O-CG 3.34Å; M289-L293 PolarHBondContact O-N 2.74Å; L290-L293 PolarHBondContact O-N 3.02Å; L293-L296 HydrophobicContact CD2-CD1 4.23Å; L293-L296 PolarHBondContact O-N 3.21Å; L293-Q297 WeakPolarHBondContact O-CB 3.34Å; L293-Q297 PolarHBondContact O-N 3.41Å; L293-L306 HydrophobicContact CD1-CD2 4.24Å; L293-L306 HydrophobicContact CD2-CD2 4.3Å; L293-D361 HydrophobicContact CD2-CB 3.91Å; L293-M362 HydrophobicContact CD1-SD 3.9Å; L293-L365 HydrophobicContact CD1-CB 4.21Å; L293-L365 HydrophobicContact CD1-CD2 4.1Å; L293-P483 HydrophobicContact CB-CB 4.05Å; L293-P483 HydrophobicContact CB-CG 3.7Å
294	D	98.4	Very high	98.1	Very high	19 Å²	19	31.4 Å²	31.4	10%	0.102	14%	0.138	C	C	.	.	H	α-helix	trans	-64.9	-40.8	174.6	-173.1	68.7	0	0	0	111.9	L290 C292 Q297 K298 P483 L487	L290-D294 VanDerWaalsContact O-CB 3.25Å; L290-D294 WeakPolarHBondContact O-CB 3.36Å; L290-D294 PolarHBondContact O-N 3Å; C292-D294 VanDerWaalsContact C-N 3.27Å; C292-D294 PolarHBondContact O-N 3.42Å; D294-Q297 PolarHBondContact O-N 3.41Å; D294-K298 WeakPolarHBondContact O-CG 3.15Å; D294-K298 PolarHBondContact O-N 2.95Å; D294-K298 VanDerWaalsContact OD2-CE 3.23Å; D294-K298 WeakPolarHBondContact OD2-CE 3.34Å; D294-K298 IonicContact OD2-NZ 2.89Å; D294-K298 PolarHBondContact OD2-NZ 2.83Å; D294-P483 HydrophobicContact CB-CB 3.99Å; D294-L487 HydrophobicContact CB-CD1 4.18Å
295	L	98	Very high	98	Very high	6 Å²	6	27.6 Å²	27.6	3%	0.031	12%	0.122	C	C	.	.	H	α-helix	trans	-66.6	-40.7	173.6	-175.2	61.5	0	0	0	111.9	L230 Q233 D234 H239 I241 L291 C292 Q297 K298 N299	L230-L295 HydrophobicContact CD2-CD2 4.33Å; L230-L295 HydrophobicContact CD2-CG 4.31Å; Q233-L295 HydrophobicContact CB-CD1 4.06Å; Q233-L295 HydrophobicContact CB-CD2 4.39Å; D234-L295 HydrophobicContact CB-CD2 4.28Å; H239-L295 HydrophobicContact CB-CB 4.31Å; H239-L295 HydrophobicContact CB-CD2 3.68Å; I241-L295 HydrophobicContact CD1-CD2 3.7Å; L291-L295 PolarHBondContact O-N 3.06Å; C292-L295 WeakPolarHBondContact O-CB 3.05Å; C292-L295 PolarHBondContact O-N 3.33Å; C292-L295 VanDerWaalsContact O-N 3.08Å; L295-Q297 VanDerWaalsContact C-N 3.31Å; L295-Q297 PolarHBondContact O-N 3.04Å; L295-K298 PolarHBondContact O-N 3.02Å; L295-N299 PolarHBondContact O-N 3.48Å; L295-N299 PolarHBondContact O-ND2 3.04Å
296	L	98.3	Very high	98	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.01	12%	0.122	C	C	.	.	H	α-helix	trans	-61.4	-43.6	175.9	-57.4	-164.9	0	0	0	110.7	L230 I241 C292 L293 K298 N299 R300 L301 H303 F326	L230-L296 HydrophobicContact CD1-CD2 3.9Å; L230-L296 HydrophobicContact CD2-CD2 3.91Å; I241-L296 HydrophobicContact CD1-CD2 4.11Å; C292-L296 WeakPolarHBondContact O-CG 3.31Å; C292-L296 PolarHBondContact O-N 3.03Å; L293-L296 HydrophobicContact CD2-CD1 4.23Å; L293-L296 PolarHBondContact O-N 3.21Å; L296-K298 PolarHBondContact O-N 2.98Å; L296-N299 CarbonylContact O-C 3.26Å; L296-N299 PolarHBondContact O-N 3.17Å; L296-N299 VanDerWaalsContact O-N 3.08Å; L296-R300 PolarHBondContact O-N 2.64Å; L296-R300 VanDerWaalsContact O-N 3.07Å; L296-L301 HydrophobicContact CB-CB 4.36Å; L296-L301 HydrophobicContact CB-CD2 4.48Å; L296-L301 HydrophobicContact CD1-CD2 4.08Å; L296-L301 HydrophobicContact CD2-CD2 3.92Å; L296-L301 HydrophobicContact CG-CD2 4.36Å; L296-L301 PolarHBondContact O-N 3.24Å; L296-H303 HydrophobicContact CD1-CB 3.99Å; L296-F326 HydrophobicContact CD1-CE1 4.08Å; L296-F326 HydrophobicContact CD2-CE1 3.86Å; L296-F326 HydrophobicContact CD2-CZ 4.37Å
297	Q	97.7	Very high	98	Very high	54 Å²	54	29.1 Å²	29.1	25%	0.252	13%	0.129	S	C	.	.	H	α-helix	trans	-61.4	-44.3	178.3	-172.9	178	-95.9	0	0	112.2	L293 D294 L295 N299 R300 M358 P483	L293-Q297 WeakPolarHBondContact O-CB 3.34Å; L293-Q297 PolarHBondContact O-N 3.41Å; D294-Q297 PolarHBondContact O-N 3.41Å; L295-Q297 VanDerWaalsContact C-N 3.31Å; L295-Q297 PolarHBondContact O-N 3.04Å; Q297-N299 PolarHBondContact O-N 3.49Å; Q297-R300 PolarHBondContact O-N 3.04Å; Q297-M358 HydrophobicContact CB-SD 4.22Å; Q297-M358 HydrophobicContact CG-CE 4.27Å; Q297-M358 HydrophobicContact CG-SD 3.87Å; Q297-P483 HydrophobicContact CB-CG 4.44Å
298	K	97.1	Very high	98	Very high	135 Å²	135	23.4 Å²	23.4	59%	0.587	11%	0.106	S	C	*	.	H	α-helix	trans	-59.5	-29.3	175.7	-74.7	164.5	175.1	161.3	0	112.8	D294 L295 L296	D294-K298 WeakPolarHBondContact O-CG 3.15Å; D294-K298 PolarHBondContact O-N 2.95Å; D294-K298 VanDerWaalsContact OD2-CE 3.23Å; D294-K298 WeakPolarHBondContact OD2-CE 3.34Å; D294-K298 IonicContact OD2-NZ 2.89Å; D294-K298 PolarHBondContact OD2-NZ 2.83Å; L295-K298 PolarHBondContact O-N 3.02Å; L296-K298 PolarHBondContact O-N 2.98Å
299	N	97.3	Very high	98	Very high	24 Å²	24	25.7 Å²	25.7	13%	0.128	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	6.2	178.4	-75	-80.2	0	0	0	113.8	H229 Q233 L295 L296 Q297 L301	H229-N299 PolarHBondContact NE2-OD1 3.48Å; Q233-N299 PolarHBondContact NE2-ND2 2.55Å; Q233-N299 PolarHBondContact NE2-OD1 2.89Å; Q233-N299 PolarHBondContact OE1-ND2 3.44Å; Q233-N299 PolarHBondContact OE1-OD1 3.44Å; L295-N299 PolarHBondContact O-N 3.48Å; L295-N299 PolarHBondContact O-ND2 3.04Å; L296-N299 CarbonylContact O-C 3.26Å; L296-N299 PolarHBondContact O-N 3.17Å; L296-N299 VanDerWaalsContact O-N 3.08Å; Q297-N299 PolarHBondContact O-N 3.49Å; N299-L301 HydrophobicContact CB-CB 4.42Å; N299-L301 PolarHBondContact O-N 2.92Å
300	R	97.4	Very high	98	Very high	139 Å²	139	26.1 Å²	26.1	53%	0.525	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	37.8	-175.5	-55.5	-175.7	66.2	-177.5	-1.6	112.6	L296 Q297 F331 D332	L296-R300 PolarHBondContact O-N 2.64Å; L296-R300 VanDerWaalsContact O-N 3.07Å; Q297-R300 PolarHBondContact O-N 3.04Å; R300-F331 WeakPolarHBondContact O-CA 3.44Å; R300-D332 HydrophobicContact CB-CB 4.27Å; R300-D332 IonicContact CZ-OD2 2.81Å; R300-D332 IonicContact NE-OD2 3.59Å; R300-D332 IonicContact NH2-OD2 3.44Å; R300-D332 PolarHBondContact NH2-OD2 3.36Å; R300-D332 VanDerWaalsContact NH2-OD2 3.09Å; R300-D332 WeakPolarHBondContact O-CB 3.45Å; R300-D332 PolarHBondContact O-N 3.22Å
301	L	97.7	Very high	98	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	139	-176.1	-165.2	138.1	0	0	0	110.7	I226 L296 N299 F326 F331	I226-L301 HydrophobicContact CB-CD1 4.21Å; I226-L301 HydrophobicContact CD1-CD1 4.05Å; I226-L301 HydrophobicContact CG1-CD1 3.84Å; I226-L301 HydrophobicContact CG2-CD1 3.49Å; I226-L301 VanDerWaalsContact CG2-CD1 3.49Å; I226-L301 HydrophobicContact CG2-CD2 4.38Å; L296-L301 HydrophobicContact CB-CB 4.36Å; L296-L301 HydrophobicContact CB-CD2 4.48Å; L296-L301 HydrophobicContact CD1-CD2 4.08Å; L296-L301 HydrophobicContact CD2-CD2 3.92Å; L296-L301 HydrophobicContact CG-CD2 4.36Å; L296-L301 PolarHBondContact O-N 3.24Å; N299-L301 HydrophobicContact CB-CB 4.42Å; N299-L301 PolarHBondContact O-N 2.92Å; L301-F326 HydrophobicContact CD2-CD1 4.2Å; L301-F326 HydrophobicContact CD2-CE1 4.18Å; L301-F331 HydrophobicContact CD1-CE1 4.19Å; L301-F331 HydrophobicContact CD1-CZ 4.3Å
302	I	98.2	Very high	98	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	128.5	177.5	-43.3	172.1	0	0	0	107.4	C304 S329 C330 D332 Y356 M358 I360	I302-C304 VanDerWaalsContact CG2-SG 3.51Å; I302-S329 WeakPolarHBondContact O-CA 3.46Å; I302-S329 WeakPolarHBondContact O-CB 3.36Å; I302-C330 PolarHBondContact N-O 3.03Å; I302-C330 PolarHBondContact O-N 2.79Å; I302-C330 VanDerWaalsContact O-N 3.08Å; I302-D332 HydrophobicContact CD1-CB 4.44Å; I302-Y356 HydrophobicContact CD1-CD2 4.18Å; I302-Y356 HydrophobicContact CD1-CE2 4.03Å; I302-M358 HydrophobicContact CG1-CG 3.9Å; I302-I360 HydrophobicContact CG2-CD1 3.58Å; I302-I360 HydrophobicContact CG2-CG1 3.7Å
303	H	98.1	Very high	98	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.116	C	C	.	.			trans	-72.8	-36.5	178.1	-175.5	-82.4	0	0	0	112	L296 D305 L306 I324 D325 F326 S329 D361	L296-H303 HydrophobicContact CD1-CB 3.99Å; H303-D305 PolarHBondContact CE1-O 3.39Å; H303-D305 VanDerWaalsContact ND1-C 3.26Å; H303-D305 PolarHBondContact ND1-N 3.01Å; H303-D305 PolarHBondContact O-N 3.45Å; H303-L306 PolarHBondContact ND1-N 2.89Å; H303-L306 VanDerWaalsContact ND1-N 3.16Å; H303-I324 PolarHBondContact NE2-O 3.25Å; H303-D325 PolarHBondContact NE2-O 3.3Å; H303-F326 AromaticContact CD2-CE1 3.97Å; H303-F326 AromaticContact CD2-CZ 3.98Å; H303-S329 WeakPolarHBondContact CA-OG 3.27Å; H303-S329 PolarHBondContact O-OG 3.29Å; H303-D361 WeakPolarHBondContact CB-OD2 3.46Å; H303-D361 PolarHBondContact N-OD2 3.38Å
304	C	97.5	Very high	97.9	Very high	1 Å²	1	29 Å²	29	1%	0.007	13%	0.129	C	C	.	.	S	Bend	trans	66	-8.9	174.5	-63.6	0	0	0	0	116.8	I302 S328 I340 Q341 D361	I302-C304 VanDerWaalsContact CG2-SG 3.51Å; C304-S328 VanDerWaalsContact CB-O 3.28Å; C304-S328 WeakPolarHBondContact CB-O 3.47Å; C304-I340 HydrophobicContact CB-CB 4.43Å; C304-I340 HydrophobicContact CB-CD1 4.21Å; C304-Q341 WeakPolarHBondContact O-CA 3.48Å; C304-Q341 WeakPolarHBondContact O-CG 3.47Å; C304-Q341 PolarHBondContact O-N 3.11Å; C304-D361 PolarHBondContact N-OD1 2.8Å; C304-D361 VanDerWaalsContact N-OD1 3.17Å
305	D	96.9	Very high	97.8	Very high	12 Å²	12	34.1 Å²	34.1	6%	0.064	15%	0.153	C	C	.	.			trans	-145.4	45.1	174.1	-161.4	35.3	0	0	0	113.9	H303 K307 N310 S342	H303-D305 PolarHBondContact CE1-O 3.39Å; H303-D305 VanDerWaalsContact ND1-C 3.26Å; H303-D305 PolarHBondContact ND1-N 3.01Å; H303-D305 PolarHBondContact O-N 3.45Å; D305-K307 PolarHBondContact O-N 3.42Å; D305-K307 IonicContact OD1-NZ 3.93Å; D305-K307 IonicContact OD2-NZ 3.58Å; D305-K307 PolarHBondContact OD2-NZ 3.27Å; D305-N310 PolarHBondContact O-ND2 3.05Å; D305-N310 PolarHBondContact OD2-ND2 3Å; D305-S342 WeakPolarHBondContact OD1-CB 3.49Å; D305-S342 PolarHBondContact OD1-N 3.16Å; D305-S342 PolarHBondContact OD1-OG 3.05Å
306	L	98.6	Very high	97.4	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	18%	0.184	C	C	.	.			trans	-72.5	124	177.4	-166	73.9	0	0	0	110.3	L293 H303 V311 V323 S364 L365 I368	L293-L306 HydrophobicContact CD1-CD2 4.24Å; L293-L306 HydrophobicContact CD2-CD2 4.3Å; H303-L306 PolarHBondContact ND1-N 2.89Å; H303-L306 VanDerWaalsContact ND1-N 3.16Å; L306-V311 HydrophobicContact CD1-CG2 4.28Å; L306-V323 HydrophobicContact CD1-CG1 3.83Å; L306-V323 HydrophobicContact CD1-CG2 4.42Å; L306-S364 WeakPolarHBondContact O-CB 3.24Å; L306-L365 HydrophobicContact CD2-CB 4.37Å; L306-I368 HydrophobicContact CB-CD1 4.48Å; L306-I368 HydrophobicContact CD2-CD1 3.97Å; L306-I368 HydrophobicContact CG-CD1 3.7Å
307	K	98.6	Very high	97	Very high	34 Å²	34	44.5 Å²	44.5	15%	0.148	22%	0.222	C	C	.	.			trans	-160.7	164.8	-177.9	63.4	-169.1	-175.3	-149.7	0	110.6	D305 E309 N310 S342 Y345	D305-K307 PolarHBondContact O-N 3.42Å; D305-K307 IonicContact OD1-NZ 3.93Å; D305-K307 IonicContact OD2-NZ 3.58Å; D305-K307 PolarHBondContact OD2-NZ 3.27Å; K307-E309 HydrophobicContact CG-CB 4.24Å; K307-E309 VanDerWaalsContact CG-OE2 3.32Å; K307-E309 WeakPolarHBondContact CG-OE2 2.97Å; K307-E309 PolarHBondContact O-N 2.77Å; K307-E309 VanDerWaalsContact O-N 3.17Å; K307-N310 HydrophobicContact CG-CB 4.06Å; K307-N310 PolarHBondContact O-N 3.28Å; K307-S342 VanDerWaalsContact CD-OG 3.3Å; K307-S342 WeakPolarHBondContact CD-OG 3.48Å; K307-S342 PolarHBondContact NZ-OG 3.07Å; K307-S342 VanDerWaalsContact NZ-OG 3.12Å; K307-Y345 HydrophobicContact CB-CD2 3.53Å; K307-Y345 HydrophobicContact CB-CE2 3.55Å; K307-Y345 HydrophobicContact CB-CG 4.17Å
308	P	98.6	Very high	96.9	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-58.2	-30.4	-178	-24.7	35.8	0	0	0	113.9	L265 Y266 N310 V311 Y345 I368	L265-P308 HydrophobicContact CB-CB 4.09Å; L265-P308 WeakPolarHBondContact CB-O 3.44Å; L265-P308 PolarHBondContact N-O 3.11Å; Y266-P308 PolarHBondContact N-O 3.09Å; P308-N310 VanDerWaalsContact C-N 3.27Å; P308-N310 PolarHBondContact O-N 3.24Å; P308-V311 PolarHBondContact O-N 2.92Å; P308-Y345 WeakPolarHBondContact CD-OH 3.5Å; P308-Y345 HydrophobicContact CG-CE1 4.08Å; P308-Y345 WeakPolarHBondContact CG-OH 3.44Å; P308-I368 HydrophobicContact CG-CG1 4.23Å; P308-I368 HydrophobicContact CG-CG2 4.43Å
309	E	97.4	Very high	96.8	Very high	66 Å²	66	45.8 Å²	45.8	31%	0.308	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-68.1	-26	176	-59.6	92.2	145.9	0	0	113.2	N264 Y266 K307 L312	N264-E309 VanDerWaalsContact CB-O 3.29Å; N264-E309 WeakPolarHBondContact CB-O 3.32Å; Y266-E309 HydrophobicContact CG-CG 4.38Å; K307-E309 HydrophobicContact CG-CB 4.24Å; K307-E309 VanDerWaalsContact CG-OE2 3.32Å; K307-E309 WeakPolarHBondContact CG-OE2 2.97Å; K307-E309 PolarHBondContact O-N 2.77Å; K307-E309 VanDerWaalsContact O-N 3.17Å; E309-L312 WeakPolarHBondContact O-CD1 3.43Å
310	N	98.3	Very high	96.7	Very high	9 Å²	9	45.9 Å²	45.9	5%	0.048	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-98.2	15.2	-178.9	-71.8	-5.5	0	0	0	112.8	D305 K307 P308 I324	D305-N310 PolarHBondContact O-ND2 3.05Å; D305-N310 PolarHBondContact OD2-ND2 3Å; K307-N310 HydrophobicContact CG-CB 4.06Å; K307-N310 PolarHBondContact O-N 3.28Å; P308-N310 VanDerWaalsContact C-N 3.27Å; P308-N310 PolarHBondContact O-N 3.24Å; N310-I324 HydrophobicContact CB-CG1 4.17Å; N310-I324 WeakPolarHBondContact O-CG1 3.43Å; N310-I324 PolarHBondContact O-N 2.96Å
311	V	98.7	Very high	96.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	113.7	171.7	-175.3	0	0	0	0	108.3	N264 L265 M289 L306 P308 I321 V323	N264-V311 CarbonylContact C-O 3.41Å; N264-V311 VanDerWaalsContact CA-O 3.26Å; N264-V311 WeakPolarHBondContact CA-O 3.46Å; L265-V311 HydrophobicContact CD1-CB 3.76Å; L265-V311 HydrophobicContact CD1-CG1 3.52Å; L265-V311 HydrophobicContact CG-CB 3.94Å; L265-V311 HydrophobicContact CG-CG1 3.87Å; L265-V311 WeakPolarHBondContact CG-O 3.37Å; L265-V311 PolarHBondContact N-O 3.12Å; M289-V311 HydrophobicContact CG-CG1 4.28Å; M289-V311 HydrophobicContact CG-CG2 4.45Å; M289-V311 HydrophobicContact SD-CG1 4.35Å; M289-V311 HydrophobicContact SD-CG2 3.95Å; L306-V311 HydrophobicContact CD1-CG2 4.28Å; P308-V311 PolarHBondContact O-N 2.92Å; V311-I321 HydrophobicContact CG1-CB 3.84Å; V311-I321 HydrophobicContact CG1-CD1 3.98Å; V311-I321 HydrophobicContact CG1-CG1 3.99Å; V311-I321 HydrophobicContact CG1-CG2 4.13Å; V311-V323 HydrophobicContact CG2-CG2 4.5Å
312	L	98.6	Very high	96.8	Very high	28 Å²	28	39.6 Å²	39.6	15%	0.147	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	143	-174.2	-84.2	64.2	0	0	0	111.5	L261 S262 N264 E309 I321 K322 I324	L261-L312 HydrophobicContact CB-CB 3.97Å; L261-L312 HydrophobicContact CB-CD2 3.87Å; L261-L312 HydrophobicContact CD1-CB 3.73Å; L261-L312 HydrophobicContact CD1-CD2 4.24Å; S262-L312 WeakPolarHBondContact O-CD2 3.42Å; N264-L312 HydrophobicContact CB-CD1 3.6Å; N264-L312 HydrophobicContact CB-CG 3.99Å; E309-L312 WeakPolarHBondContact O-CD1 3.43Å; L312-I321 CarbonylContact O-C 3.57Å; L312-I321 WeakPolarHBondContact O-CA 3.26Å; L312-I321 WeakPolarHBondContact O-CB 3.14Å; L312-K322 PolarHBondContact N-O 3.22Å; L312-K322 PolarHBondContact O-N 3Å; L312-I324 HydrophobicContact CB-CG2 4.38Å; L312-I324 HydrophobicContact CD1-CD1 3.37Å; L312-I324 HydrophobicContact CD1-CG1 3.7Å; L312-I324 HydrophobicContact CD1-CG2 3.99Å; L312-I324 HydrophobicContact CD2-CD1 4.16Å; L312-I324 HydrophobicContact CD2-CG2 4.32Å; L312-I324 HydrophobicContact CG-CD1 4.42Å; L312-I324 HydrophobicContact CG-CG2 4.46Å
313	L	98.4	Very high	96.9	Very high	6 Å²	6	39.6 Å²	39.6	3%	0.031	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	134.8	167.7	-65.5	-178.3	0	0	0	109.6	S262 I263 L265 L268 F285 Q315 G320 I321	S262-L313 WeakPolarHBondContact CA-O 3.45Å; S262-L313 VanDerWaalsContact CB-O 3.27Å; S262-L313 WeakPolarHBondContact CB-O 3.29Å; S262-L313 PolarHBondContact N-O 3.07Å; I263-L313 HydrophobicContact CD1-CD1 4.46Å; I263-L313 HydrophobicContact CG1-CD1 3.98Å; I263-L313 PolarHBondContact O-N 3.11Å; L265-L313 HydrophobicContact CD2-CD2 4.14Å; L268-L313 HydrophobicContact CD1-CD1 4.19Å; L268-L313 HydrophobicContact CD2-CD1 4.18Å; L268-L313 HydrophobicContact CD2-CD2 4.31Å; F285-L313 HydrophobicContact CE1-CD2 3.85Å; F285-L313 HydrophobicContact CZ-CD2 4.11Å; L313-Q315 VanDerWaalsContact C-N 3.3Å; L313-Q315 PolarHBondContact O-N 3.28Å; L313-G320 CarbonylContact C-O 3.41Å; L313-G320 WeakPolarHBondContact CA-O 3.49Å; L313-I321 HydrophobicContact CD2-CG2 3.82Å
314	K	96.4	Very high	96.8	Very high	73 Å²	73	41.3 Å²	41.3	32%	0.317	22%	0.219	S	C	.	.	S	Bend	trans	-60.2	-43.2	172.4	-66.1	-175.6	-169.9	-176	0	110.9	N240 G320 I321 K322	N240-K314 WeakPolarHBondContact OD1-CE 3.16Å; N240-K314 PolarHBondContact OD1-NZ 2.64Å; K314-G320 PolarHBondContact N-O 3.44Å; K314-I321 WeakPolarHBondContact CE-O 3.37Å; K314-K322 HydrophobicContact CD-CG 4.38Å; K314-K322 HydrophobicContact CG-CG 4.05Å
315	Q	95.3	Very high	96.7	Very high	126 Å²	126	42.8 Å²	42.8	59%	0.589	23%	0.226	S	C	*	.	S	Bend	trans	-145.9	151.6	-176.1	-66.4	178.5	-26.4	0	0	110.7	L313 R318	L313-Q315 VanDerWaalsContact C-N 3.3Å; L313-Q315 PolarHBondContact O-N 3.28Å; Q315-R318 HydrophobicContact CB-CB 4.39Å; Q315-R318 HydrophobicContact CB-CG 4.26Å; Q315-R318 PolarHBondContact O-N 2.91Å
316	Q	91.4	Very high	96.6	Very high	147 Å²	147	42.2 Å²	42.2	69%	0.687	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	137.7	175.9	-174.1	171.7	-2.7	0	0	110.9	R318	Q316-R318 PolarHBondContact O-N 3.03Å
317	G	90.1	Very high	96.3	Very high	78 Å²	78	42.5 Å²	42.5	80%	0.804	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.7	1.1	178.9	0	0	0	0	0	115.1
318	R	94.6	Very high	96	Very high	176 Å²	176	42.4 Å²	42.4	66%	0.664	23%	0.23	S	C	*	.			trans	-113.4	156.7	174.6	-57.7	-64.7	-174.2	146.2	0.1	109.9	Q315 Q316	Q315-R318 HydrophobicContact CB-CB 4.39Å; Q315-R318 HydrophobicContact CB-CG 4.26Å; Q315-R318 PolarHBondContact O-N 2.91Å; Q316-R318 PolarHBondContact O-N 3.03Å
319	S	94.1	Very high	95.9	Very high	41 Å²	41	42.8 Å²	42.8	29%	0.287	23%	0.232	S	C	.	.			trans	-97.3	-0.6	-178.4	47.4	0	0	0	0	114.2	F285 I321	F285-S319 WeakPolarHBondContact CE1-O 3.28Å; S319-I321 PolarHBondContact O-N 2.98Å
320	G	97.1	Very high	95.7	Very high	25 Å²	25	40.3 Å²	40.3	26%	0.258	22%	0.222	S	C	.	.			trans	-65.5	132.8	173.7	0	0	0	0	0	110.3	L313 K314	L313-G320 CarbonylContact C-O 3.41Å; L313-G320 WeakPolarHBondContact CA-O 3.49Å; K314-G320 PolarHBondContact N-O 3.44Å
321	I	98.4	Very high	95.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	164.6	-179.9	58.4	79.3	0	0	0	112.3	N240 L265 F285 S288 M289 V311 L312 L313 K314 S319	N240-I321 HydrophobicContact CB-CD1 4.09Å; N240-I321 WeakPolarHBondContact CB-O 3.19Å; N240-I321 PolarHBondContact OD1-O 3.22Å; L265-I321 HydrophobicContact CD2-CG2 4.24Å; F285-I321 HydrophobicContact CD1-CG2 3.67Å; F285-I321 HydrophobicContact CE1-CG2 3.65Å; S288-I321 VanDerWaalsContact CB-CG1 3.47Å; M289-I321 HydrophobicContact CG-CD1 4.1Å; V311-I321 HydrophobicContact CG1-CB 3.84Å; V311-I321 HydrophobicContact CG1-CD1 3.98Å; V311-I321 HydrophobicContact CG1-CG1 3.99Å; V311-I321 HydrophobicContact CG1-CG2 4.13Å; L312-I321 CarbonylContact O-C 3.57Å; L312-I321 WeakPolarHBondContact O-CA 3.26Å; L312-I321 WeakPolarHBondContact O-CB 3.14Å; L313-I321 HydrophobicContact CD2-CG2 3.82Å; K314-I321 WeakPolarHBondContact CE-O 3.37Å; S319-I321 PolarHBondContact O-N 2.98Å
322	K	98.5	Very high	95.1	Very high	8 Å²	8	42.3 Å²	42.3	4%	0.035	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	145	159.3	-69.4	-170.8	162.4	-147.9	0	110.3	N240 I241 H243 E259 L261 L312 K314	N240-K322 CarbonylContact O-C 3.58Å; N240-K322 WeakPolarHBondContact O-CA 3.32Å; I241-K322 WeakPolarHBondContact O-CD 3.43Å; I241-K322 WeakPolarHBondContact O-CE 3.22Å; I241-K322 PolarHBondContact O-NZ 3.43Å; H243-K322 PolarHBondContact CE1-NZ 2.82Å; H243-K322 PolarHBondContact ND1-NZ 2.78Å; H243-K322 VanDerWaalsContact ND1-NZ 3.19Å; H243-K322 PolarHBondContact NE2-NZ 2.82Å; E259-K322 VanDerWaalsContact OE1-CD 3.29Å; E259-K322 WeakPolarHBondContact OE1-CD 3.31Å; E259-K322 WeakPolarHBondContact OE1-CE 3.46Å; E259-K322 IonicContact OE1-NZ 3.09Å; E259-K322 PolarHBondContact OE1-NZ 3.43Å; E259-K322 IonicContact OE2-NZ 3.59Å; E259-K322 PolarHBondContact OE2-NZ 3.47Å; L261-K322 HydrophobicContact CD1-CB 3.82Å; L261-K322 HydrophobicContact CD1-CD 4.43Å; L261-K322 HydrophobicContact CD2-CD 4.2Å; L312-K322 PolarHBondContact N-O 3.22Å; L312-K322 PolarHBondContact O-N 3Å; K314-K322 HydrophobicContact CD-CG 4.38Å; K314-K322 HydrophobicContact CG-CG 4.05Å
323	V	98.6	Very high	94.7	Very high	1 Å²	1	46 Å²	46	1%	0.006	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	136.2	169.9	-177.9	0	0	0	0	108.5	N240 I242 C292 L306 V311 F326	N240-V323 PolarHBondContact O-N 2.97Å; I242-V323 PolarHBondContact N-O 3.33Å; C292-V323 HydrophobicContact CB-CB 4.47Å; C292-V323 HydrophobicContact CB-CG2 3.85Å; L306-V323 HydrophobicContact CD1-CG1 3.83Å; L306-V323 HydrophobicContact CD1-CG2 4.42Å; V311-V323 HydrophobicContact CG2-CG2 4.5Å; V323-F326 HydrophobicContact CG1-CE2 4.43Å; V323-F326 HydrophobicContact CG1-CZ 4.48Å
324	I	97.9	Very high	94.3	Very high	36 Å²	36	49.7 Å²	49.7	19%	0.185	27%	0.268	C	S	.	.			trans	-124.3	173.9	-177.3	73.2	157.5	0	0	0	111.2	I242 L261 H303 N310 L312	I242-I324 HydrophobicContact CB-CB 4.47Å; I242-I324 HydrophobicContact CB-CG2 4.05Å; I242-I324 HydrophobicContact CD1-CG2 4.23Å; I242-I324 HydrophobicContact CG1-CG2 4.34Å; I242-I324 HydrophobicContact CG2-CB 4.42Å; L261-I324 HydrophobicContact CD1-CG2 3.98Å; H303-I324 PolarHBondContact NE2-O 3.25Å; N310-I324 HydrophobicContact CB-CG1 4.17Å; N310-I324 WeakPolarHBondContact O-CG1 3.43Å; N310-I324 PolarHBondContact O-N 2.96Å; L312-I324 HydrophobicContact CB-CG2 4.38Å; L312-I324 HydrophobicContact CD1-CD1 3.37Å; L312-I324 HydrophobicContact CD1-CG1 3.7Å; L312-I324 HydrophobicContact CD1-CG2 3.99Å; L312-I324 HydrophobicContact CD2-CD1 4.16Å; L312-I324 HydrophobicContact CD2-CG2 4.32Å; L312-I324 HydrophobicContact CG-CD1 4.42Å; L312-I324 HydrophobicContact CG-CG2 4.46Å
325	D	94.6	Very high	93.7	Very high	31 Å²	31	49.8 Å²	49.8	17%	0.166	27%	0.267	C	S	.	.			trans	65.2	74.5	169.2	-162.8	18.1	0	0	0	114.7	K208 H303 G327	K208-D325 IonicContact NZ-OD1 3.05Å; K208-D325 PolarHBondContact NZ-OD1 3.06Å; H303-D325 PolarHBondContact NE2-O 3.3Å; D325-G327 VanDerWaalsContact C-N 3.27Å; D325-G327 PolarHBondContact O-N 3.15Å
326	F	95.8	Very high	92.8	Very high	1 Å²	1	49.9 Å²	49.9	0%	0.004	27%	0.27	C	S	.	.			trans	-89.6	13.2	177.7	-73.8	-105.1	0	0	0	112.5	E223 I226 L227 L230 I241 I242 L296 L301 H303 V323 S328 S329	E223-F326 HydrophobicContact CG-CB 4.1Å; E223-F326 PolarHBondContact OE1-N 2.84Å; I226-F326 HydrophobicContact CG2-CB 4.27Å; I226-F326 HydrophobicContact CG2-CD1 3.79Å; I226-F326 HydrophobicContact CG2-CG 4.34Å; L227-F326 HydrophobicContact CD2-CB 4.38Å; L227-F326 HydrophobicContact CD2-CD2 3.75Å; L227-F326 HydrophobicContact CD2-CE2 4.24Å; L227-F326 HydrophobicContact CD2-CG 4.07Å; L227-F326 HydrophobicContact CG-CB 4.39Å; L230-F326 HydrophobicContact CD1-CD1 4.11Å; L230-F326 HydrophobicContact CD1-CE1 3.72Å; L230-F326 HydrophobicContact CD1-CZ 4.28Å; I241-F326 HydrophobicContact CG1-CZ 4.45Å; I241-F326 HydrophobicContact CG2-CE2 3.88Å; I241-F326 HydrophobicContact CG2-CZ 3.89Å; I242-F326 HydrophobicContact CG2-CD2 4.39Å; I242-F326 HydrophobicContact CG2-CE2 4.36Å; L296-F326 HydrophobicContact CD1-CE1 4.08Å; L296-F326 HydrophobicContact CD2-CE1 3.86Å; L296-F326 HydrophobicContact CD2-CZ 4.37Å; L301-F326 HydrophobicContact CD2-CD1 4.2Å; L301-F326 HydrophobicContact CD2-CE1 4.18Å; H303-F326 AromaticContact CD2-CE1 3.97Å; H303-F326 AromaticContact CD2-CZ 3.98Å; V323-F326 HydrophobicContact CG1-CE2 4.43Å; V323-F326 HydrophobicContact CG1-CZ 4.48Å; F326-S328 PolarHBondContact O-N 3.17Å; F326-S329 WeakPolarHBondContact CA-OG 3.35Å; F326-S329 VanDerWaalsContact CD1-OG 3.31Å; F326-S329 WeakPolarHBondContact CD1-OG 3.36Å; F326-S329 WeakPolarHBondContact O-CB 3.1Å; F326-S329 PolarHBondContact O-N 3.17Å; F326-S329 PolarHBondContact O-OG 2.82Å
327	G	91.8	Very high	92.5	Very high	6 Å²	6	46.8 Å²	46.8	6%	0.062	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-15	-178.2	0	0	0	0	0	115.1	D325	D325-G327 VanDerWaalsContact C-N 3.27Å; D325-G327 PolarHBondContact O-N 3.15Å
328	S	92.1	Very high	92.4	Very high	32 Å²	32	49 Å²	49	22%	0.224	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-3.7	172.8	-60.7	0	0	0	0	113.2	C304 F326	C304-S328 VanDerWaalsContact CB-O 3.28Å; C304-S328 WeakPolarHBondContact CB-O 3.47Å; F326-S328 PolarHBondContact O-N 3.17Å
329	S	95.2	Very high	92.1	Very high	8 Å²	8	44.5 Å²	44.5	6%	0.056	23%	0.234	C	C	.	.			trans	-69.6	152.7	-174.1	-63.1	0	0	0	0	111.8	I302 H303 F326	I302-S329 WeakPolarHBondContact O-CA 3.46Å; I302-S329 WeakPolarHBondContact O-CB 3.36Å; H303-S329 WeakPolarHBondContact CA-OG 3.27Å; H303-S329 PolarHBondContact O-OG 3.29Å; F326-S329 WeakPolarHBondContact CA-OG 3.35Å; F326-S329 VanDerWaalsContact CD1-OG 3.31Å; F326-S329 WeakPolarHBondContact CD1-OG 3.36Å; F326-S329 WeakPolarHBondContact O-CB 3.1Å; F326-S329 PolarHBondContact O-N 3.17Å; F326-S329 PolarHBondContact O-OG 2.82Å
330	C	94.2	Very high	92.2	Very high	14 Å²	14	43 Å²	43	10%	0.095	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	156.9	173.2	64.1	0	0	0	0	111.1	I302	I302-C330 PolarHBondContact N-O 3.03Å; I302-C330 PolarHBondContact O-N 2.79Å; I302-C330 VanDerWaalsContact O-N 3.08Å
331	F	94.2	Very high	92.2	Very high	27 Å²	27	42 Å²	42	12%	0.118	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	146.6	164.6	-64.5	-84.2	0	0	0	110	I226 R300 L301 D333 Q334	I226-F331 HydrophobicContact CG1-CE2 4.12Å; I226-F331 HydrophobicContact CG1-CZ 4.45Å; R300-F331 WeakPolarHBondContact O-CA 3.44Å; L301-F331 HydrophobicContact CD1-CE1 4.19Å; L301-F331 HydrophobicContact CD1-CZ 4.3Å; F331-D333 VanDerWaalsContact CB-OD1 3.23Å; F331-D333 WeakPolarHBondContact CB-OD1 3.48Å; F331-D333 PolarHBondContact O-N 3.28Å; F331-Q334 HydrophobicContact CB-CB 4.29Å; F331-Q334 HydrophobicContact CB-CG 4.42Å; F331-Q334 CarbonylContact O-C 3.31Å; F331-Q334 PolarHBondContact O-N 3.17Å
332	D	90.3	Very high	92.1	Very high	25 Å²	25	43.6 Å²	43.6	13%	0.134	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-35	-178.5	173.5	45.6	0	0	0	112	R300 I302 R335	R300-D332 HydrophobicContact CB-CB 4.27Å; R300-D332 IonicContact CZ-OD2 2.81Å; R300-D332 IonicContact NE-OD2 3.59Å; R300-D332 IonicContact NH2-OD2 3.44Å; R300-D332 PolarHBondContact NH2-OD2 3.36Å; R300-D332 VanDerWaalsContact NH2-OD2 3.09Å; R300-D332 WeakPolarHBondContact O-CB 3.45Å; R300-D332 PolarHBondContact O-N 3.22Å; I302-D332 HydrophobicContact CD1-CB 4.44Å; D332-R335 PolarHBondContact O-NE 2.91Å; D332-R335 VanDerWaalsContact O-NE 3.15Å; D332-R335 PolarHBondContact O-NH1 2.83Å; D332-R335 VanDerWaalsContact O-NH1 3.17Å; D332-R335 PolarHBondContact O-NH2 2.87Å; D332-R335 IonicContact OD1-CZ 2.79Å; D332-R335 IonicContact OD1-NH1 2.71Å; D332-R335 PolarHBondContact OD1-NH1 2.94Å; D332-R335 IonicContact OD1-NH2 3.67Å
333	D	90	Very high	92.1	Very high	104 Å²	104	46.5 Å²	46.5	56%	0.556	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82	-10.3	176.9	62.3	-23.7	0	0	0	114.5	F331	F331-D333 VanDerWaalsContact CB-OD1 3.23Å; F331-D333 WeakPolarHBondContact CB-OD1 3.48Å; F331-D333 PolarHBondContact O-N 3.28Å
334	Q	89.6	Confident	92.1	Very high	84 Å²	84	49.7 Å²	49.7	39%	0.393	25%	0.247	S	C	.	.			trans	-118.5	44	-173	-62.9	174.7	22.6	0	0	112.5	F331 I336	F331-Q334 HydrophobicContact CB-CB 4.29Å; F331-Q334 HydrophobicContact CB-CG 4.42Å; F331-Q334 CarbonylContact O-C 3.31Å; F331-Q334 PolarHBondContact O-N 3.17Å; Q334-I336 PolarHBondContact O-N 2.93Å
335	R	83.6	Confident	92.1	Very high	75 Å²	75	48.4 Å²	48.4	28%	0.283	24%	0.24	S	C	.	.			trans	-71.1	116	179.1	-68.6	171.7	-77	-111.8	-23.6	111.5	D332 Y356	D332-R335 PolarHBondContact O-NE 2.91Å; D332-R335 VanDerWaalsContact O-NE 3.15Å; D332-R335 PolarHBondContact O-NH1 2.83Å; D332-R335 VanDerWaalsContact O-NH1 3.17Å; D332-R335 PolarHBondContact O-NH2 2.87Å; D332-R335 IonicContact OD1-CZ 2.79Å; D332-R335 IonicContact OD1-NH1 2.71Å; D332-R335 PolarHBondContact OD1-NH1 2.94Å; D332-R335 IonicContact OD1-NH2 3.67Å; R335-Y356 WeakPolarHBondContact CB-OH 3.46Å; R335-Y356 WeakPolarHBondContact CD-O 3.29Å; R335-Y356 HydrophobicContact CG-CE1 4.47Å; R335-Y356 HydrophobicContact CG-CE2 3.81Å; R335-Y356 PolarHBondContact NH1-O 3.23Å
336	I	78	Confident	92.3	Very high	129 Å²	129	47.1 Å²	47.1	66%	0.662	23%	0.233	S	C	*	.			trans	-98.6	-38.9	-178.8	-58.5	175.2	0	0	0	112.4	Q334	Q334-I336 PolarHBondContact O-N 2.93Å
337	Y	84.5	Confident	92.5	Very high	82 Å²	82	47.1 Å²	47.1	32%	0.322	23%	0.233	S	C	.	.			trans	-113.2	136.5	-167.3	-56.8	-70.8	0	0	0	112.1	Q219 Y356	Q219-Y337 PolarHBondContact NE2-OH 3.29Å; Q219-Y337 VanDerWaalsContact NE2-OH 3.14Å; Y337-Y356 VanDerWaalsContact O-CE1 3.3Å; Y337-Y356 WeakPolarHBondContact O-CE1 3.19Å; Y337-Y356 PolarHBondContact O-OH 3.36Å
338	T	86.6	Confident	92.8	Very high	125 Å²	125	46.9 Å²	46.9	77%	0.767	23%	0.23	S	C	*	.	S	Bend	trans	-87.4	-22.8	174.1	52.8	0	0	0	0	112.9
339	Y	90.3	Very high	93.1	Very high	80 Å²	80	45.5 Å²	45.5	31%	0.314	22%	0.221	S	C	.	.	S	Bend	trans	-110.2	83.8	-178.3	-169.7	-109.1	0	0	0	111.7	R9 R346	R9-Y339 HydrophobicContact CG-CE1 4.09Å; R9-Y339 VanDerWaalsContact NE-CE1 3.28Å; R9-Y339 VanDerWaalsContact NH1-CD1 3.3Å; R9-Y339 PolarHBondContact NH1-O 3.21Å; R9-Y339 VanDerWaalsContact NH1-O 3.17Å; R9-Y339 PolarHBondContact NH2-O 3.48Å; Y339-R346 VanDerWaalsContact CE2-CZ 3.45Å; Y339-R346 PolarHBondContact OH-NH1 3.42Å; Y339-R346 VanDerWaalsContact OH-NH1 3.1Å; Y339-R346 PolarHBondContact OH-NH2 3.37Å
340	I	94.3	Very high	93.2	Very high	11 Å²	11	45.5 Å²	45.5	6%	0.056	22%	0.22	C	C	.	.			trans	-117.6	177.1	-175.9	59.4	166.7	0	0	0	111.8	C304 R346 V350 Y356 I360	C304-I340 HydrophobicContact CB-CB 4.43Å; C304-I340 HydrophobicContact CB-CD1 4.21Å; I340-R346 PolarHBondContact O-NE 3.02Å; I340-R346 PolarHBondContact O-NH2 3.39Å; I340-V350 HydrophobicContact CD1-CG2 4.22Å; I340-V350 HydrophobicContact CG1-CG1 3.78Å; I340-V350 HydrophobicContact CG1-CG2 4.05Å; I340-Y356 HydrophobicContact CD1-CD1 4.23Å; I340-Y356 HydrophobicContact CD1-CD2 3.68Å; I340-Y356 HydrophobicContact CD1-CE1 3.97Å; I340-Y356 HydrophobicContact CD1-CE2 3.38Å; I340-Y356 HydrophobicContact CD1-CG 4.1Å; I340-I360 HydrophobicContact CD1-CD1 3.38Å; I340-I360 HydrophobicContact CG1-CD1 4.49Å
341	Q	97.4	Very high	93.4	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.019	22%	0.216	C	C	.	.	S	Bend	trans	62.1	150.3	-174.9	-58.6	175.1	-66.9	0	0	114.5	C304 Y345 R346 I360 S364	C304-Q341 WeakPolarHBondContact O-CA 3.48Å; C304-Q341 WeakPolarHBondContact O-CG 3.47Å; C304-Q341 PolarHBondContact O-N 3.11Å; Q341-Y345 PolarHBondContact NE2-O 3.34Å; Q341-R346 HydrophobicContact CB-CB 3.98Å; Q341-R346 HydrophobicContact CB-CG 4.14Å; Q341-R346 PolarHBondContact O-NE 3Å; Q341-R346 PolarHBondContact O-NH2 3.43Å; Q341-I360 HydrophobicContact CG-CD1 4.19Å; Q341-I360 PolarHBondContact NE2-O 3.21Å; Q341-S364 PolarHBondContact NE2-OG 3.27Å
342	S	96.9	Very high	93.5	Very high	32 Å²	32	43.8 Å²	43.8	22%	0.224	21%	0.211	C	C	.	.			trans	-72	137.2	165.2	-67.1	0	0	0	0	109.9	D305 K307 F344 Y345 R346	D305-S342 WeakPolarHBondContact OD1-CB 3.49Å; D305-S342 PolarHBondContact OD1-N 3.16Å; D305-S342 PolarHBondContact OD1-OG 3.05Å; K307-S342 VanDerWaalsContact CD-OG 3.3Å; K307-S342 WeakPolarHBondContact CD-OG 3.48Å; K307-S342 PolarHBondContact NZ-OG 3.07Å; K307-S342 VanDerWaalsContact NZ-OG 3.12Å; S342-F344 PolarHBondContact O-N 2.82Å; S342-F344 VanDerWaalsContact O-N 3.17Å; S342-Y345 CarbonylContact O-C 3.46Å; S342-Y345 PolarHBondContact O-N 3.28Å; S342-R346 PolarHBondContact O-N 2.99Å
343	R	98.1	Very high	93.8	Very high	70 Å²	70	43.5 Å²	43.5	26%	0.264	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-51.4	-46.4	-162.5	-172.3	-171	-63.5	109.4	-1.1	114.4	Y345 R346 G381 Q387	R343-Y345 PolarHBondContact O-N 2.76Å; R343-R346 WeakPolarHBondContact O-CB 3.31Å; R343-R346 PolarHBondContact O-N 2.98Å; R343-G381 WeakPolarHBondContact CD-O 3.23Å; R343-Q387 HydrophobicContact CG-CB 4.19Å; R343-Q387 HydrophobicContact CG-CG 4.2Å; R343-Q387 PolarHBondContact O-NE2 2.89Å; R343-Q387 PolarHBondContact O-OE1 3.07Å
344	F	98.7	Very high	94	Very high	67 Å²	67	39.8 Å²	39.8	29%	0.294	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-66.5	-20.7	-176.1	-57.1	-18.2	0	0	0	113.7	S342 P377 P380 G381	S342-F344 PolarHBondContact O-N 2.82Å; S342-F344 VanDerWaalsContact O-N 3.17Å; F344-P377 HydrophobicContact CB-CB 4.49Å; F344-P377 HydrophobicContact CD2-CB 3.94Å; F344-P377 HydrophobicContact CD2-CG 3.93Å; F344-P377 HydrophobicContact CE2-CG 4.15Å; F344-P377 HydrophobicContact CG-CB 4.39Å; F344-P380 HydrophobicContact CE1-CB 4.34Å; F344-P380 HydrophobicContact CZ-CB 4.38Å; F344-G381 VanDerWaalsContact CE1-O 3.3Å; F344-G381 WeakPolarHBondContact CE1-O 2.97Å
345	Y	98.8	Very high	94.1	Very high	10 Å²	10	43.3 Å²	43.3	4%	0.039	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-111.5	8.3	-177.4	-44.8	-78.8	0	0	0	111.7	K307 P308 Q341 S342 R343 S364 C367 I368 E371	K307-Y345 HydrophobicContact CB-CD2 3.53Å; K307-Y345 HydrophobicContact CB-CE2 3.55Å; K307-Y345 HydrophobicContact CB-CG 4.17Å; P308-Y345 WeakPolarHBondContact CD-OH 3.5Å; P308-Y345 HydrophobicContact CG-CE1 4.08Å; P308-Y345 WeakPolarHBondContact CG-OH 3.44Å; Q341-Y345 PolarHBondContact NE2-O 3.34Å; S342-Y345 CarbonylContact O-C 3.46Å; S342-Y345 PolarHBondContact O-N 3.28Å; R343-Y345 PolarHBondContact O-N 2.76Å; Y345-S364 PolarHBondContact O-OG 3.47Å; Y345-C367 HydrophobicContact CD1-CB 3.73Å; Y345-C367 HydrophobicContact CE1-CB 4.43Å; Y345-I368 HydrophobicContact CD1-CG1 3.82Å; Y345-I368 HydrophobicContact CE1-CG1 3.93Å; Y345-E371 VanDerWaalsContact CE1-OE2 3.26Å; Y345-E371 WeakPolarHBondContact CE1-OE2 3.42Å; Y345-E371 VanDerWaalsContact CZ-OE2 3.3Å; Y345-E371 PolarHBondContact OH-OE2 3.18Å
346	R	98.7	Very high	94.7	Very high	4 Å²	4	40.7 Å²	40.7	2%	0.015	20%	0.2	C	C	.	.			trans	-79.7	131.4	-175	-176.7	178	-66.8	148.5	-1.4	111	Y339 I340 Q341 S342 R343 V350 I351 W363	Y339-R346 VanDerWaalsContact CE2-CZ 3.45Å; Y339-R346 PolarHBondContact OH-NH1 3.42Å; Y339-R346 VanDerWaalsContact OH-NH1 3.1Å; Y339-R346 PolarHBondContact OH-NH2 3.37Å; I340-R346 PolarHBondContact O-NE 3.02Å; I340-R346 PolarHBondContact O-NH2 3.39Å; Q341-R346 HydrophobicContact CB-CB 3.98Å; Q341-R346 HydrophobicContact CB-CG 4.14Å; Q341-R346 PolarHBondContact O-NE 3Å; Q341-R346 PolarHBondContact O-NH2 3.43Å; S342-R346 PolarHBondContact O-N 2.99Å; R343-R346 WeakPolarHBondContact O-CB 3.31Å; R343-R346 PolarHBondContact O-N 2.98Å; R346-V350 HydrophobicContact CG-CB 3.91Å; R346-V350 HydrophobicContact CG-CG1 3.94Å; R346-I351 HydrophobicContact CG-CD1 4.46Å; R346-I351 HydrophobicContact CG-CG1 3.98Å; R346-W363 PolarHBondContact O-NE1 3.23Å
347	A	98.7	Very high	95.6	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.173	C	C	.	.			trans	-73.6	150.6	180	0	0	0	0	0	112.2	E349 V350 I351 I360 W363	A347-E349 VanDerWaalsContact C-N 3.32Å; A347-E349 HydrophobicContact CB-CG 4.16Å; A347-E349 WeakPolarHBondContact CB-OE2 3.34Å; A347-E349 PolarHBondContact O-N 2.78Å; A347-V350 HydrophobicContact CB-CG2 4.49Å; A347-V350 WeakPolarHBondContact O-CB 3.5Å; A347-V350 PolarHBondContact O-N 3.11Å; A347-V350 VanDerWaalsContact O-N 3.17Å; A347-I351 PolarHBondContact O-N 3.19Å; A347-I360 HydrophobicContact CB-CB 3.85Å; A347-I360 HydrophobicContact CB-CG2 3.78Å; A347-W363 HydrophobicContact CB-CB 3.86Å; A347-W363 HydrophobicContact CB-CD2 4.27Å; A347-W363 HydrophobicContact CB-CG 3.77Å
348	P	98.3	Very high	96.2	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.006	17%	0.168	C	C	.	.	H	α-helix	trans	-63	-35.4	-176.5	23.4	-33.1	0	0	0	112.9	V350 I351 L352 W363 I391 W475	P348-V350 PolarHBondContact O-N 2.71Å; P348-I351 PolarHBondContact O-N 3.4Å; P348-I351 VanDerWaalsContact O-N 3.09Å; P348-L352 HydrophobicContact CB-CD1 4.49Å; P348-L352 VanDerWaalsContact O-CB 3.31Å; P348-L352 WeakPolarHBondContact O-CB 3.32Å; P348-L352 WeakPolarHBondContact O-CG 3.44Å; P348-L352 PolarHBondContact O-N 2.73Å; P348-W363 VanDerWaalsContact CD-CE3 3.44Å; P348-W363 VanDerWaalsContact CD-CZ3 3.46Å; P348-W363 HydrophobicContact CG-CE3 4.09Å; P348-W363 HydrophobicContact CG-CH2 3.9Å; P348-W363 HydrophobicContact CG-CZ2 4.46Å; P348-W363 HydrophobicContact CG-CZ3 3.7Å; P348-I391 HydrophobicContact CB-CD1 4.44Å; P348-W475 HydrophobicContact CB-CE3 3.62Å; P348-W475 HydrophobicContact CB-CH2 4.47Å; P348-W475 HydrophobicContact CB-CZ3 3.41Å; P348-W475 VanDerWaalsContact CB-CZ3 3.41Å; P348-W475 HydrophobicContact CG-CE3 3.82Å; P348-W475 HydrophobicContact CG-CZ3 4.1Å
349	E	97.8	Very high	96.8	Very high	4 Å²	4	28.9 Å²	28.9	2%	0.019	14%	0.143	C	C	.	.	H	α-helix	trans	-57.4	-36	175.7	54.3	-94.9	-139.3	0	0	112.9	A347 G353 T354 I360 R480	A347-E349 VanDerWaalsContact C-N 3.32Å; A347-E349 HydrophobicContact CB-CG 4.16Å; A347-E349 WeakPolarHBondContact CB-OE2 3.34Å; A347-E349 PolarHBondContact O-N 2.78Å; E349-G353 PolarHBondContact O-N 3.44Å; E349-T354 WeakPolarHBondContact CA-OG1 3.35Å; E349-T354 WeakPolarHBondContact CB-OG1 3.36Å; E349-T354 PolarHBondContact O-N 3.46Å; E349-T354 PolarHBondContact O-OG1 2.84Å; E349-I360 HydrophobicContact CG-CG2 3.86Å; E349-I360 WeakPolarHBondContact OE1-CG2 3.47Å; E349-R480 IonicContact OE1-CZ 3.45Å; E349-R480 IonicContact OE1-NH1 2.94Å; E349-R480 PolarHBondContact OE1-NH1 3.5Å; E349-R480 IonicContact OE1-NH2 3.4Å; E349-R480 PolarHBondContact OE1-NH2 3.45Å; E349-R480 IonicContact OE2-CZ 3.2Å; E349-R480 IonicContact OE2-NH1 3.02Å; E349-R480 PolarHBondContact OE2-NH1 3.21Å; E349-R480 IonicContact OE2-NH2 2.93Å; E349-R480 PolarHBondContact OE2-NH2 3.41Å
350	V	97.8	Very high	97.2	Very high	7 Å²	7	25.1 Å²	25.1	4%	0.042	13%	0.128	C	C	.	.	H	α-helix	trans	-70.2	-40.6	177.4	179.6	0	0	0	0	110.2	I340 R346 A347 P348 Y356 I360	I340-V350 HydrophobicContact CD1-CG2 4.22Å; I340-V350 HydrophobicContact CG1-CG1 3.78Å; I340-V350 HydrophobicContact CG1-CG2 4.05Å; R346-V350 HydrophobicContact CG-CB 3.91Å; R346-V350 HydrophobicContact CG-CG1 3.94Å; A347-V350 HydrophobicContact CB-CG2 4.49Å; A347-V350 WeakPolarHBondContact O-CB 3.5Å; A347-V350 PolarHBondContact O-N 3.11Å; A347-V350 VanDerWaalsContact O-N 3.17Å; P348-V350 PolarHBondContact O-N 2.71Å; V350-Y356 HydrophobicContact CG2-CG 4.32Å; V350-I360 HydrophobicContact CG2-CG2 3.98Å
351	I	98.2	Very high	97.4	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.005	13%	0.126	C	C	.	.	H	α-helix	trans	-67.9	-47.8	178.4	-59.8	172	0	0	0	110.5	R346 A347 P348 G353 E384 Q387 L388 I391 R408 F412	R346-I351 HydrophobicContact CG-CD1 4.46Å; R346-I351 HydrophobicContact CG-CG1 3.98Å; A347-I351 PolarHBondContact O-N 3.19Å; P348-I351 PolarHBondContact O-N 3.4Å; P348-I351 VanDerWaalsContact O-N 3.09Å; I351-G353 PolarHBondContact O-N 2.87Å; I351-E384 HydrophobicContact CG2-CB 4.39Å; I351-Q387 HydrophobicContact CD1-CB 4.15Å; I351-Q387 HydrophobicContact CD1-CG 3.69Å; I351-L388 HydrophobicContact CG2-CB 4.27Å; I351-L388 HydrophobicContact CG2-CD2 4.41Å; I351-I391 HydrophobicContact CD1-CD1 4.1Å; I351-R408 PolarHBondContact O-NH1 3Å; I351-F412 HydrophobicContact CG2-CE1 4.13Å; I351-F412 HydrophobicContact CG2-CE2 3.89Å; I351-F412 HydrophobicContact CG2-CZ 3.6Å
352	L	97.3	Very high	97.5	Very high	4 Å²	4	24.8 Å²	24.8	2%	0.021	13%	0.126	C	C	.	.	H	α-helix	trans	-72.7	-12.8	-178.7	-68.5	173.7	0	0	0	113.4	P348 L388 L403 A406 K407 R408 F412 W475	P348-L352 HydrophobicContact CB-CD1 4.49Å; P348-L352 VanDerWaalsContact O-CB 3.31Å; P348-L352 WeakPolarHBondContact O-CB 3.32Å; P348-L352 WeakPolarHBondContact O-CG 3.44Å; P348-L352 PolarHBondContact O-N 2.73Å; L352-L388 HydrophobicContact CD2-CD2 3.84Å; L352-L403 HydrophobicContact CD1-CD2 4.48Å; L352-L403 HydrophobicContact CD2-CD2 4.42Å; L352-A406 HydrophobicContact CB-CB 3.92Å; L352-A406 CarbonylContact O-C 3.59Å; L352-K407 PolarHBondContact O-N 3.35Å; L352-R408 WeakPolarHBondContact O-CA 3.42Å; L352-R408 WeakPolarHBondContact O-CB 3.5Å; L352-R408 PolarHBondContact O-N 3.24Å; L352-F412 HydrophobicContact CD2-CD2 4.02Å; L352-W475 HydrophobicContact CD1-CZ3 4.33Å
353	G	95.7	Very high	97.6	Very high	20 Å²	20	23.3 Å²	23.3	21%	0.206	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.6	31.6	177.8	0	0	0	0	0	113.5	E349 I351	E349-G353 PolarHBondContact O-N 3.44Å; I351-G353 PolarHBondContact O-N 2.87Å
354	T	93.9	Very high	97.7	Very high	25 Å²	25	20 Å²	20	15%	0.153	10%	0.103	C	C	.	.	P	Polyproline II helix	trans	-82.6	173.8	167.5	60.1	0	0	0	0	110	E349 Y356 A406	E349-T354 WeakPolarHBondContact CA-OG1 3.35Å; E349-T354 WeakPolarHBondContact CB-OG1 3.36Å; E349-T354 PolarHBondContact O-N 3.46Å; E349-T354 PolarHBondContact O-OG1 2.84Å; T354-Y356 PolarHBondContact O-N 2.91Å; T354-A406 VanDerWaalsContact CG2-CA 3.43Å; T354-A406 HydrophobicContact CG2-CB 3.61Å
355	K	92.9	Very high	97.7	Very high	159 Å²	159	16.8 Å²	16.8	69%	0.691	9%	0.089	S	C	*	.	P	Polyproline II helix	trans	-68.5	117.7	174.7	-175.5	-178.7	179.3	-175.8	0	109.1
356	Y	95.8	Very high	97.7	Very high	19 Å²	19	16.3 Å²	16.3	8%	0.075	9%	0.087	C	C	.	.	P	Polyproline II helix	trans	-93.2	161.7	175.6	73.1	-97.1	0	0	0	111.8	I302 R335 Y337 I340 V350 T354 I360	I302-Y356 HydrophobicContact CD1-CD2 4.18Å; I302-Y356 HydrophobicContact CD1-CE2 4.03Å; R335-Y356 WeakPolarHBondContact CB-OH 3.46Å; R335-Y356 WeakPolarHBondContact CD-O 3.29Å; R335-Y356 HydrophobicContact CG-CE1 4.47Å; R335-Y356 HydrophobicContact CG-CE2 3.81Å; R335-Y356 PolarHBondContact NH1-O 3.23Å; Y337-Y356 VanDerWaalsContact O-CE1 3.3Å; Y337-Y356 WeakPolarHBondContact O-CE1 3.19Å; Y337-Y356 PolarHBondContact O-OH 3.36Å; I340-Y356 HydrophobicContact CD1-CD1 4.23Å; I340-Y356 HydrophobicContact CD1-CD2 3.68Å; I340-Y356 HydrophobicContact CD1-CE1 3.97Å; I340-Y356 HydrophobicContact CD1-CE2 3.38Å; I340-Y356 HydrophobicContact CD1-CG 4.1Å; V350-Y356 HydrophobicContact CG2-CG 4.32Å; T354-Y356 PolarHBondContact O-N 2.91Å; Y356-I360 HydrophobicContact CD2-CD1 3.93Å; Y356-I360 HydrophobicContact CE2-CD1 4.42Å
357	G	97.1	Very high	97.7	Very high	10 Å²	10	16.1 Å²	16.1	10%	0.103	9%	0.087	C	C	.	.			trans	-154	-161.7	177.6	0	0	0	0	0	111.8	P359 I360	G357-P359 VanDerWaalsContact C-N 3.25Å; G357-P359 VanDerWaalsContact O-N 3.15Å; G357-I360 WeakPolarHBondContact O-CG1 3.37Å; G357-I360 WeakPolarHBondContact O-CG2 3.38Å; G357-I360 PolarHBondContact O-N 2.88Å
358	M	98.1	Very high	97.7	Very high	43 Å²	43	16.1 Å²	16.1	21%	0.212	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51	-31.8	176.1	-60	171.4	-71.1	0	0	115.3	Q297 I302 I360 D361	Q297-M358 HydrophobicContact CB-SD 4.22Å; Q297-M358 HydrophobicContact CG-CE 4.27Å; Q297-M358 HydrophobicContact CG-SD 3.87Å; I302-M358 HydrophobicContact CG1-CG 3.9Å; M358-I360 PolarHBondContact O-N 3.45Å; M358-D361 PolarHBondContact O-N 3.38Å; M358-D361 VanDerWaalsContact O-N 3.11Å
359	P	98.7	Very high	97.7	Very high	36 Å²	36	16.1 Å²	16.1	23%	0.234	9%	0.086	C	C	.	.	H	α-helix	trans	-58.6	-17.1	178.1	-28.7	37.5	0	0	0	115.5	G357 D361 M362 W363 P477 R480	G357-P359 VanDerWaalsContact C-N 3.25Å; G357-P359 VanDerWaalsContact O-N 3.15Å; P359-D361 VanDerWaalsContact C-N 3.25Å; P359-D361 PolarHBondContact O-N 3.37Å; P359-M362 PolarHBondContact O-N 3.12Å; P359-W363 PolarHBondContact O-N 2.92Å; P359-P477 HydrophobicContact CB-CB 3.81Å; P359-P477 HydrophobicContact CG-CB 4.12Å; P359-P477 VanDerWaalsContact CG-O 3.29Å; P359-P477 WeakPolarHBondContact CG-O 3.35Å; P359-R480 WeakPolarHBondContact O-CD 3.43Å; P359-R480 PolarHBondContact O-NH1 2.66Å
360	I	98.8	Very high	97.8	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-65	-30.6	176.3	73.5	179.5	0	0	0	112.3	I302 I340 Q341 A347 E349 V350 Y356 G357 M358 M362 W363 S364	I302-I360 HydrophobicContact CG2-CD1 3.58Å; I302-I360 HydrophobicContact CG2-CG1 3.7Å; I340-I360 HydrophobicContact CD1-CD1 3.38Å; I340-I360 HydrophobicContact CG1-CD1 4.49Å; Q341-I360 HydrophobicContact CG-CD1 4.19Å; Q341-I360 PolarHBondContact NE2-O 3.21Å; A347-I360 HydrophobicContact CB-CB 3.85Å; A347-I360 HydrophobicContact CB-CG2 3.78Å; E349-I360 HydrophobicContact CG-CG2 3.86Å; E349-I360 WeakPolarHBondContact OE1-CG2 3.47Å; V350-I360 HydrophobicContact CG2-CG2 3.98Å; Y356-I360 HydrophobicContact CD2-CD1 3.93Å; Y356-I360 HydrophobicContact CE2-CD1 4.42Å; G357-I360 WeakPolarHBondContact O-CG1 3.37Å; G357-I360 WeakPolarHBondContact O-CG2 3.38Å; G357-I360 PolarHBondContact O-N 2.88Å; M358-I360 PolarHBondContact O-N 3.45Å; I360-M362 VanDerWaalsContact C-N 3.34Å; I360-W363 WeakPolarHBondContact O-CB 3.48Å; I360-W363 PolarHBondContact O-N 3.4Å; I360-S364 PolarHBondContact O-N 2.86Å; I360-S364 VanDerWaalsContact O-N 3.07Å; I360-S364 PolarHBondContact O-OG 3.33Å
361	D	98.9	Very high	97.8	Very high	5 Å²	5	15.7 Å²	15.7	3%	0.027	8%	0.084	C	C	.	.	H	α-helix	trans	-75.3	-29.6	-179.9	-66.3	-33.3	0	0	0	111	L293 H303 C304 M358 P359 W363 S364 L365	L293-D361 HydrophobicContact CD2-CB 3.91Å; H303-D361 WeakPolarHBondContact CB-OD2 3.46Å; H303-D361 PolarHBondContact N-OD2 3.38Å; C304-D361 PolarHBondContact N-OD1 2.8Å; C304-D361 VanDerWaalsContact N-OD1 3.17Å; M358-D361 PolarHBondContact O-N 3.38Å; M358-D361 VanDerWaalsContact O-N 3.11Å; P359-D361 VanDerWaalsContact C-N 3.25Å; P359-D361 PolarHBondContact O-N 3.37Å; D361-W363 VanDerWaalsContact C-N 3.35Å; D361-S364 PolarHBondContact O-N 3.18Å; D361-L365 WeakPolarHBondContact O-CB 3.49Å; D361-L365 PolarHBondContact O-N 2.91Å
362	M	98.9	Very high	97.9	Very high	4 Å²	4	15.7 Å²	15.7	2%	0.02	8%	0.084	C	C	.	.	H	α-helix	trans	-68.2	-34.7	171.2	-73.2	-59.9	-64.9	0	0	112.1	L290 L293 P359 I360 L365 G366 M481 P483 A486	L290-M362 HydrophobicContact CD2-CE 4.04Å; L290-M362 HydrophobicContact CD2-SD 3.96Å; L293-M362 HydrophobicContact CD1-SD 3.9Å; P359-M362 PolarHBondContact O-N 3.12Å; I360-M362 VanDerWaalsContact C-N 3.34Å; M362-L365 HydrophobicContact CE-CD2 3.97Å; M362-L365 WeakPolarHBondContact O-CB 3.25Å; M362-L365 PolarHBondContact O-N 3.42Å; M362-L365 HydrophobicContact SD-CD2 3.93Å; M362-G366 PolarHBondContact O-N 2.82Å; M362-M481 HydrophobicContact CE-CE 4.43Å; M362-M481 WeakPolarHBondContact CE-O 3.42Å; M362-M481 VanDerWaalsContact CG-O 3.3Å; M362-M481 WeakPolarHBondContact CG-O 3.27Å; M362-P483 HydrophobicContact CG-CG 4.23Å; M362-P483 HydrophobicContact SD-CB 4.33Å; M362-P483 HydrophobicContact SD-CG 3.74Å; M362-A486 HydrophobicContact CE-CB 3.77Å
363	W	98.9	Very high	97.9	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-62.6	-48.6	170	178.8	-79.9	0	0	0	111.5	R346 A347 P348 P359 I360 D361 L365 G366 C367 L379 I391 L395 L473	R346-W363 PolarHBondContact O-NE1 3.23Å; A347-W363 HydrophobicContact CB-CB 3.86Å; A347-W363 HydrophobicContact CB-CD2 4.27Å; A347-W363 HydrophobicContact CB-CG 3.77Å; P348-W363 VanDerWaalsContact CD-CE3 3.44Å; P348-W363 VanDerWaalsContact CD-CZ3 3.46Å; P348-W363 HydrophobicContact CG-CE3 4.09Å; P348-W363 HydrophobicContact CG-CH2 3.9Å; P348-W363 HydrophobicContact CG-CZ2 4.46Å; P348-W363 HydrophobicContact CG-CZ3 3.7Å; P359-W363 PolarHBondContact O-N 2.92Å; I360-W363 WeakPolarHBondContact O-CB 3.48Å; I360-W363 PolarHBondContact O-N 3.4Å; D361-W363 VanDerWaalsContact C-N 3.35Å; W363-L365 VanDerWaalsContact C-N 3.31Å; W363-L365 PolarHBondContact O-N 3.06Å; W363-G366 PolarHBondContact O-N 2.95Å; W363-C367 PolarHBondContact O-N 3.39Å; W363-C367 VanDerWaalsContact O-N 3.11Å; W363-C367 PolarHBondContact O-SG 3.31Å; W363-C367 VanDerWaalsContact O-SG 3.41Å; W363-L379 HydrophobicContact CZ2-CD1 3.98Å; W363-I391 HydrophobicContact CH2-CD1 4.22Å; W363-I391 HydrophobicContact CH2-CG1 4.3Å; W363-I391 HydrophobicContact CH2-CG2 3.76Å; W363-I391 HydrophobicContact CZ2-CD1 3.68Å; W363-I391 HydrophobicContact CZ2-CG1 3.86Å; W363-I391 HydrophobicContact CZ2-CG2 4.19Å; W363-L395 HydrophobicContact CH2-CD1 3.68Å; W363-L395 HydrophobicContact CZ3-CD1 4.1Å; W363-L473 HydrophobicContact CD2-CD2 3.57Å; W363-L473 HydrophobicContact CE3-CB 4.29Å; W363-L473 HydrophobicContact CE3-CD2 3.8Å; W363-L473 HydrophobicContact CG-CD2 4.01Å; W363-L473 HydrophobicContact CH2-CB 4.42Å; W363-L473 HydrophobicContact CH2-CD2 4.25Å; W363-L473 HydrophobicContact CZ2-CD2 4.05Å; W363-L473 HydrophobicContact CZ3-CB 4.06Å; W363-L473 HydrophobicContact CZ3-CD2 4.14Å; W363-L473 WeakPolarHBondContact CZ3-O 3.28Å
364	S	98.9	Very high	98.1	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-58.8	-42.6	176.4	-60.5	0	0	0	0	111.8	L306 Q341 Y345 I360 D361 G366 C367 I368	L306-S364 WeakPolarHBondContact O-CB 3.24Å; Q341-S364 PolarHBondContact NE2-OG 3.27Å; Y345-S364 PolarHBondContact O-OG 3.47Å; I360-S364 PolarHBondContact O-N 2.86Å; I360-S364 VanDerWaalsContact O-N 3.07Å; I360-S364 PolarHBondContact O-OG 3.33Å; D361-S364 PolarHBondContact O-N 3.18Å; S364-G366 PolarHBondContact O-N 3.46Å; S364-C367 PolarHBondContact O-N 3.11Å; S364-I368 VanDerWaalsContact O-CG1 3.25Å; S364-I368 WeakPolarHBondContact O-CG1 3.29Å; S364-I368 PolarHBondContact O-N 3.35Å
365	L	98.9	Very high	98.3	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-55.7	-49.9	174.3	177	69.2	0	0	0	111.2	M289 L290 L293 L306 D361 M362 W363 C367 I368 L369	M289-L365 HydrophobicContact CB-CD1 3.89Å; M289-L365 HydrophobicContact CE-CD1 3.52Å; M289-L365 HydrophobicContact SD-CD1 3.87Å; L290-L365 HydrophobicContact CD2-CD2 3.59Å; L290-L365 HydrophobicContact CG-CD2 3.93Å; L293-L365 HydrophobicContact CD1-CB 4.21Å; L293-L365 HydrophobicContact CD1-CD2 4.1Å; L306-L365 HydrophobicContact CD2-CB 4.37Å; D361-L365 WeakPolarHBondContact O-CB 3.49Å; D361-L365 PolarHBondContact O-N 2.91Å; M362-L365 HydrophobicContact CE-CD2 3.97Å; M362-L365 WeakPolarHBondContact O-CB 3.25Å; M362-L365 PolarHBondContact O-N 3.42Å; M362-L365 HydrophobicContact SD-CD2 3.93Å; W363-L365 VanDerWaalsContact C-N 3.31Å; W363-L365 PolarHBondContact O-N 3.06Å; L365-C367 VanDerWaalsContact C-N 3.3Å; L365-C367 PolarHBondContact O-N 3.2Å; L365-I368 PolarHBondContact O-N 2.88Å; L365-L369 HydrophobicContact CD1-CD1 4.19Å; L365-L369 HydrophobicContact CD1-CD2 4.28Å; L365-L369 HydrophobicContact CD1-CG 4.06Å; L365-L369 HydrophobicContact CG-CD1 4.07Å; L365-L369 HydrophobicContact CG-CG 4.27Å; L365-L369 VanDerWaalsContact O-CG 3.29Å; L365-L369 WeakPolarHBondContact O-CG 3.34Å; L365-L369 PolarHBondContact O-N 3.4Å
366	G	98.9	Very high	98.5	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-55.3	-45.2	177.6	0	0	0	0	0	112.5	M362 W363 S364 L369 A370 L469	M362-G366 PolarHBondContact O-N 2.82Å; W363-G366 PolarHBondContact O-N 2.95Å; S364-G366 PolarHBondContact O-N 3.46Å; G366-L369 PolarHBondContact O-N 3.05Å; G366-A370 PolarHBondContact O-N 2.83Å; G366-L469 VanDerWaalsContact O-CD2 3.28Å; G366-L469 WeakPolarHBondContact O-CD2 3.21Å
367	C	98.9	Very high	98.7	Very high	1 Å²	1	12.4 Å²	12.4	1%	0.007	6%	0.064	C	C	.	.	H	α-helix	trans	-62.8	-44.4	176.8	-64	0	0	0	0	112.3	Y345 W363 S364 L365 A370 E371	Y345-C367 HydrophobicContact CD1-CB 3.73Å; Y345-C367 HydrophobicContact CE1-CB 4.43Å; W363-C367 PolarHBondContact O-N 3.39Å; W363-C367 VanDerWaalsContact O-N 3.11Å; W363-C367 PolarHBondContact O-SG 3.31Å; W363-C367 VanDerWaalsContact O-SG 3.41Å; S364-C367 PolarHBondContact O-N 3.11Å; L365-C367 VanDerWaalsContact C-N 3.3Å; L365-C367 PolarHBondContact O-N 3.2Å; C367-A370 PolarHBondContact O-N 3.19Å; C367-E371 PolarHBondContact O-N 3.26Å; C367-E371 VanDerWaalsContact O-N 3.11Å
368	I	98.9	Very high	98.8	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-61.3	-45.3	177.4	-68.5	162.9	0	0	0	110.9	M289 L306 P308 Y345 S364 L365 A370 E371 L372	M289-I368 HydrophobicContact CE-CG2 4.06Å; M289-I368 HydrophobicContact SD-CG2 4.2Å; L306-I368 HydrophobicContact CB-CD1 4.48Å; L306-I368 HydrophobicContact CD2-CD1 3.97Å; L306-I368 HydrophobicContact CG-CD1 3.7Å; P308-I368 HydrophobicContact CG-CG1 4.23Å; P308-I368 HydrophobicContact CG-CG2 4.43Å; Y345-I368 HydrophobicContact CD1-CG1 3.82Å; Y345-I368 HydrophobicContact CE1-CG1 3.93Å; S364-I368 VanDerWaalsContact O-CG1 3.25Å; S364-I368 WeakPolarHBondContact O-CG1 3.29Å; S364-I368 PolarHBondContact O-N 3.35Å; L365-I368 PolarHBondContact O-N 2.88Å; I368-A370 PolarHBondContact O-N 3.4Å; I368-E371 PolarHBondContact O-N 2.84Å; I368-L372 HydrophobicContact CG2-CD1 3.81Å; I368-L372 HydrophobicContact CG2-CG 4.15Å; I368-L372 VanDerWaalsContact O-CG 3.29Å; I368-L372 WeakPolarHBondContact O-CG 3.41Å; I368-L372 PolarHBondContact O-N 3.01Å
369	L	98.9	Very high	98.8	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-64.9	-39.4	-177.6	-66.1	-178	0	0	0	112.3	V282 A286 M289 L365 G366 E371 L372 L373 F465 F468 L469 W491	V282-L369 HydrophobicContact CG1-CB 4.22Å; V282-L369 HydrophobicContact CG1-CD2 3.97Å; A286-L369 HydrophobicContact CB-CD1 3.76Å; A286-L369 HydrophobicContact CB-CD2 3.62Å; A286-L369 HydrophobicContact CB-CG 4.34Å; M289-L369 HydrophobicContact CE-CD2 3.59Å; L365-L369 HydrophobicContact CD1-CD1 4.19Å; L365-L369 HydrophobicContact CD1-CD2 4.28Å; L365-L369 HydrophobicContact CD1-CG 4.06Å; L365-L369 HydrophobicContact CG-CD1 4.07Å; L365-L369 HydrophobicContact CG-CG 4.27Å; L365-L369 VanDerWaalsContact O-CG 3.29Å; L365-L369 WeakPolarHBondContact O-CG 3.34Å; L365-L369 PolarHBondContact O-N 3.4Å; G366-L369 PolarHBondContact O-N 3.05Å; L369-E371 VanDerWaalsContact C-N 3.33Å; L369-L372 HydrophobicContact CD2-CD1 4.24Å; L369-L372 PolarHBondContact O-N 3.45Å; L369-L373 PolarHBondContact O-N 3.43Å; L369-F465 HydrophobicContact CB-CE2 4.07Å; L369-F465 HydrophobicContact CB-CZ 4.08Å; L369-F468 HydrophobicContact CD1-CD1 4.13Å; L369-F468 HydrophobicContact CD1-CE1 3.58Å; L369-F468 HydrophobicContact CD1-CZ 4.49Å; L369-L469 HydrophobicContact CB-CD2 4.04Å; L369-W491 HydrophobicContact CD1-CH2 4.14Å; L369-W491 HydrophobicContact CD1-CZ3 4.04Å
370	A	98.9	Very high	98.7	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-63.8	-39	173.5	0	0	0	0	0	112.1	G366 C367 I368 L373 T374 L378 L457 L469	G366-A370 PolarHBondContact O-N 2.83Å; C367-A370 PolarHBondContact O-N 3.19Å; I368-A370 PolarHBondContact O-N 3.4Å; A370-L373 PolarHBondContact O-N 2.87Å; A370-T374 WeakPolarHBondContact O-CB 3.26Å; A370-T374 WeakPolarHBondContact O-CG2 3.21Å; A370-T374 PolarHBondContact O-N 3.48Å; A370-T374 PolarHBondContact O-OG1 3.18Å; A370-L378 HydrophobicContact CB-CB 3.93Å; A370-L378 HydrophobicContact CB-CD1 4.15Å; A370-L378 HydrophobicContact CB-CD2 3.9Å; A370-L378 HydrophobicContact CB-CG 4.21Å; A370-L457 HydrophobicContact CB-CD2 3.83Å; A370-L469 HydrophobicContact CB-CD1 3.97Å
371	E	98.8	Very high	98.7	Very high	3 Å²	3	10.6 Å²	10.6	1%	0.014	5%	0.054	C	C	.	.	H	α-helix	trans	-68.9	-41.2	176.6	178.4	169.5	-167.7	0	0	112.7	I269 Y345 C367 I368 L369 L373 T374 G375 Y376	I269-E371 HydrophobicContact CD1-CG 3.89Å; Y345-E371 VanDerWaalsContact CE1-OE2 3.26Å; Y345-E371 WeakPolarHBondContact CE1-OE2 3.42Å; Y345-E371 VanDerWaalsContact CZ-OE2 3.3Å; Y345-E371 PolarHBondContact OH-OE2 3.18Å; C367-E371 PolarHBondContact O-N 3.26Å; C367-E371 VanDerWaalsContact O-N 3.11Å; I368-E371 PolarHBondContact O-N 2.84Å; L369-E371 VanDerWaalsContact C-N 3.33Å; E371-L373 VanDerWaalsContact C-N 3.28Å; E371-L373 PolarHBondContact O-N 3.48Å; E371-T374 PolarHBondContact O-N 2.77Å; E371-G375 CarbonylContact O-C 3.47Å; E371-G375 WeakPolarHBondContact O-CA 3.33Å; E371-G375 PolarHBondContact O-N 3.38Å; E371-Y376 WeakPolarHBondContact CA-O 3.48Å
372	L	98.8	Very high	98.6	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-60.2	-40.3	173.3	-70.4	172	0	0	0	111.4	L265 I269 F277 V282 F285 M289 I368 L369	L265-L372 HydrophobicContact CB-CD2 4.17Å; L265-L372 HydrophobicContact CD1-CD1 4.07Å; L265-L372 HydrophobicContact CD1-CD2 4.08Å; I269-L372 HydrophobicContact CD1-CD2 4.03Å; I269-L372 HydrophobicContact CG1-CD2 4.15Å; F277-L372 HydrophobicContact CD2-CB 4.09Å; F277-L372 HydrophobicContact CD2-CD2 3.93Å; F277-L372 WeakPolarHBondContact CD2-O 3.43Å; F277-L372 HydrophobicContact CE2-CD2 3.75Å; F277-L372 PolarHBondContact N-O 3.47Å; V282-L372 HydrophobicContact CG1-CB 4.48Å; V282-L372 HydrophobicContact CG2-CB 4.06Å; F285-L372 HydrophobicContact CB-CD1 4.12Å; F285-L372 HydrophobicContact CD2-CD1 4.06Å; F285-L372 HydrophobicContact CG-CD1 4.46Å; M289-L372 HydrophobicContact CE-CD1 4.35Å; I368-L372 HydrophobicContact CG2-CD1 3.81Å; I368-L372 HydrophobicContact CG2-CG 4.15Å; I368-L372 VanDerWaalsContact O-CG 3.29Å; I368-L372 WeakPolarHBondContact O-CG 3.41Å; I368-L372 PolarHBondContact O-N 3.01Å; L369-L372 HydrophobicContact CD2-CD1 4.24Å; L369-L372 PolarHBondContact O-N 3.45Å
373	L	98.8	Very high	98.5	Very high	2 Å²	2	13.2 Å²	13.2	1%	0.01	7%	0.067	C	C	.	.	H	α-helix	trans	-67.8	-45.4	178.3	-179.7	62.9	0	0	0	112.2	G276 F277 L279 V282 L369 A370 E371 M460 F465	G276-L373 WeakPolarHBondContact CA-O 3.17Å; F277-L373 PolarHBondContact N-O 3.13Å; F277-L373 WeakPolarHBondContact O-CD1 3.33Å; L279-L373 HydrophobicContact CD2-CD1 3.7Å; L279-L373 HydrophobicContact CD2-CD2 3.97Å; L279-L373 HydrophobicContact CD2-CG 4.45Å; L279-L373 HydrophobicContact CG-CD1 3.89Å; V282-L373 HydrophobicContact CG2-CB 4.19Å; V282-L373 HydrophobicContact CG2-CD1 4.42Å; L369-L373 PolarHBondContact O-N 3.43Å; A370-L373 PolarHBondContact O-N 2.87Å; E371-L373 VanDerWaalsContact C-N 3.28Å; E371-L373 PolarHBondContact O-N 3.48Å; L373-M460 HydrophobicContact CD1-CB 3.99Å; L373-M460 HydrophobicContact CD1-CE 4.4Å; L373-M460 HydrophobicContact CD2-CB 4.01Å; L373-M460 HydrophobicContact CG-CB 3.88Å; L373-M460 WeakPolarHBondContact O-CE 3.33Å; L373-F465 HydrophobicContact CB-CE1 4.33Å; L373-F465 HydrophobicContact CB-CZ 4.4Å; L373-F465 HydrophobicContact CD2-CD1 3.72Å; L373-F465 HydrophobicContact CD2-CE1 3.29Å; L373-F465 HydrophobicContact CD2-CZ 4.11Å; L373-F465 HydrophobicContact CG-CE1 4.42Å
374	T	98.6	Very high	98.4	Very high	7 Å²	7	15.4 Å²	15.4	4%	0.043	8%	0.077	C	C	.	.	H	α-helix	trans	-97	-17.1	-168.3	62.5	0	0	0	0	114.5	A370 E371 Y376 L457 K458	A370-T374 WeakPolarHBondContact O-CB 3.26Å; A370-T374 WeakPolarHBondContact O-CG2 3.21Å; A370-T374 PolarHBondContact O-N 3.48Å; A370-T374 PolarHBondContact O-OG1 3.18Å; E371-T374 PolarHBondContact O-N 2.77Å; T374-Y376 VanDerWaalsContact C-N 3.33Å; T374-Y376 WeakPolarHBondContact O-CD2 3.29Å; T374-Y376 PolarHBondContact OG1-N 3.36Å; T374-Y376 PolarHBondContact OG1-O 2.74Å; T374-L457 HydrophobicContact CG2-CB 4.43Å; T374-L457 HydrophobicContact CG2-CD2 4.27Å; T374-K458 PolarHBondContact O-NZ 2.88Å
375	G	98.5	Very high	98.3	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.01	10%	0.095	C	C	.	.	S	Bend	trans	80.8	-0.6	-169.9	0	0	0	0	0	115	F274 E371	F274-G375 WeakPolarHBondContact CD1-O 3.35Å; E371-G375 CarbonylContact O-C 3.47Å; E371-G375 WeakPolarHBondContact O-CA 3.33Å; E371-G375 PolarHBondContact O-N 3.38Å
376	Y	98.3	Very high	98.3	Very high	115 Å²	115	19.4 Å²	19.4	45%	0.451	10%	0.099	S	C	.	.	S	Bend	trans	-136.1	146.8	-174.7	-64.6	-99.4	0	0	0	111.4	F274 E371 T374 L378	F274-Y376 HydrophobicContact CB-CE2 3.84Å; F274-Y376 WeakPolarHBondContact O-CE2 3.48Å; E371-Y376 WeakPolarHBondContact CA-O 3.48Å; T374-Y376 VanDerWaalsContact C-N 3.33Å; T374-Y376 WeakPolarHBondContact O-CD2 3.29Å; T374-Y376 PolarHBondContact OG1-N 3.36Å; T374-Y376 PolarHBondContact OG1-O 2.74Å; Y376-L378 PolarHBondContact O-N 3.49Å
377	P	98.6	Very high	98.3	Very high	34 Å²	34	19.4 Å²	19.4	22%	0.221	10%	0.099	C	C	.	.			trans	-57	135.7	177.9	-21.2	28.9	0	0	0	111.8	F344 L379 P380	F344-P377 HydrophobicContact CB-CB 4.49Å; F344-P377 HydrophobicContact CD2-CB 3.94Å; F344-P377 HydrophobicContact CD2-CG 3.93Å; F344-P377 HydrophobicContact CE2-CG 4.15Å; F344-P377 HydrophobicContact CG-CB 4.39Å; P377-L379 PolarHBondContact O-N 2.89Å; P377-P380 HydrophobicContact CB-CB 4.18Å
378	L	98.7	Very high	98.2	Very high	6 Å²	6	19.5 Å²	19.5	3%	0.031	10%	0.099	C	C	.	.	S	Bend	trans	-63.9	-42	-179.5	-178.3	63.8	0	0	0	112.1	A370 Y376 L394 R451 A456 L457 L473	A370-L378 HydrophobicContact CB-CB 3.93Å; A370-L378 HydrophobicContact CB-CD1 4.15Å; A370-L378 HydrophobicContact CB-CD2 3.9Å; A370-L378 HydrophobicContact CB-CG 4.21Å; Y376-L378 PolarHBondContact O-N 3.49Å; L378-L394 HydrophobicContact CD1-CD2 4.12Å; L378-L394 HydrophobicContact CD2-CD2 4.04Å; L378-L394 HydrophobicContact CG-CD2 4.1Å; L378-R451 PolarHBondContact O-NH1 2.92Å; L378-A456 HydrophobicContact CD1-CB 3.96Å; L378-L457 HydrophobicContact CD1-CD2 4.45Å; L378-L473 HydrophobicContact CD2-CD1 3.6Å
379	L	98.5	Very high	98.2	Very high	2 Å²	2	19.6 Å²	19.6	1%	0.01	10%	0.1	C	C	.	.	S	Bend	trans	-128	73.6	-174	-57	170.4	0	0	0	110.5	W363 P377 G381 Q387 L390 I391 L394	W363-L379 HydrophobicContact CZ2-CD1 3.98Å; P377-L379 PolarHBondContact O-N 2.89Å; L379-G381 VanDerWaalsContact C-N 3.31Å; L379-G381 PolarHBondContact O-N 3.42Å; L379-Q387 VanDerWaalsContact CB-NE2 3.27Å; L379-Q387 PolarHBondContact O-NE2 3.25Å; L379-Q387 PolarHBondContact O-OE1 3.03Å; L379-L390 HydrophobicContact CB-CB 4.47Å; L379-L390 HydrophobicContact CD2-CB 3.89Å; L379-I391 HydrophobicContact CD1-CG1 3.73Å; L379-I391 HydrophobicContact CD2-CG1 4.5Å; L379-L394 HydrophobicContact CD2-CD2 4.11Å
380	P	98.1	Very high	98.2	Very high	41 Å²	41	19.9 Å²	19.9	27%	0.266	10%	0.101	S	C	.	.			trans	-83.2	62.7	-175	34.8	-36.2	0	0	0	113	F344 P377	F344-P380 HydrophobicContact CE1-CB 4.34Å; F344-P380 HydrophobicContact CZ-CB 4.38Å; P377-P380 HydrophobicContact CB-CB 4.18Å
381	G	97.9	Very high	98.2	Very high	2 Å²	2	19.9 Å²	19.9	2%	0.021	10%	0.101	C	C	.	.			trans	-69.4	141.3	-176	0	0	0	0	0	114.3	R343 F344 L379 D386 Q387 L390	R343-G381 WeakPolarHBondContact CD-O 3.23Å; F344-G381 VanDerWaalsContact CE1-O 3.3Å; F344-G381 WeakPolarHBondContact CE1-O 2.97Å; L379-G381 VanDerWaalsContact C-N 3.31Å; L379-G381 PolarHBondContact O-N 3.42Å; G381-D386 WeakPolarHBondContact CA-OD2 3.2Å; G381-Q387 VanDerWaalsContact CA-OE1 3.26Å; G381-L390 VanDerWaalsContact CA-CD1 3.5Å; G381-L390 VanDerWaalsContact N-CD1 3.34Å
382	E	97.3	Very high	98.2	Very high	30 Å²	30	19.8 Å²	19.8	14%	0.14	10%	0.101	C	C	.	.	S	Bend	trans	-74.1	-39.4	-179.6	-68.9	164.2	-156.7	0	0	112.6	D386 S439 K440 R441 R445	E382-D386 HydrophobicContact CB-CB 4.24Å; E382-D386 PolarHBondContact N-OD2 3.42Å; E382-S439 VanDerWaalsContact CD-OG 3.23Å; E382-S439 VanDerWaalsContact OE1-CB 3.28Å; E382-S439 WeakPolarHBondContact OE1-CB 3.5Å; E382-S439 PolarHBondContact OE1-OG 2.97Å; E382-S439 WeakPolarHBondContact OE2-CB 3.16Å; E382-S439 PolarHBondContact OE2-OG 2.68Å; E382-K440 PolarHBondContact OE2-N 2.89Å; E382-R441 HydrophobicContact CG-CG 4.32Å; E382-R441 WeakPolarHBondContact OE1-CB 3.18Å; E382-R441 WeakPolarHBondContact OE2-CG 3.12Å; E382-R441 PolarHBondContact OE2-N 2.91Å; E382-R445 IonicContact OE1-NH2 3.71Å
383	D	96.9	Very high	98.2	Very high	33 Å²	33	20.9 Å²	20.9	18%	0.176	11%	0.106	C	C	.	.	S	Bend	trans	-142.4	-173.3	174.5	61.1	38.6	0	0	0	109.8	N385 D386 Q387 K440	D383-N385 VanDerWaalsContact C-N 3.32Å; D383-N385 PolarHBondContact O-N 3.18Å; D383-N385 WeakPolarHBondContact OD1-CA 3.46Å; D383-N385 WeakPolarHBondContact OD1-CB 3.45Å; D383-N385 PolarHBondContact OD1-N 2.82Å; D383-D386 PolarHBondContact OD1-N 2.99Å; D383-Q387 VanDerWaalsContact O-CB 3.25Å; D383-Q387 WeakPolarHBondContact O-CB 3.43Å; D383-Q387 PolarHBondContact O-N 3.09Å; D383-K440 WeakPolarHBondContact OD2-CE 3.37Å; D383-K440 IonicContact OD2-NZ 3.37Å; D383-K440 PolarHBondContact OD2-NZ 3.36Å
384	E	96.6	Very high	98.2	Very high	47 Å²	47	21.2 Å²	21.2	22%	0.22	11%	0.107	C	C	.	.	H	α-helix	trans	-67.2	-29.2	-178.8	61.6	179.2	176.7	0	0	114.2	I351 L388 R408 F412	I351-E384 HydrophobicContact CG2-CB 4.39Å; E384-L388 PolarHBondContact O-N 3.45Å; E384-L388 VanDerWaalsContact O-N 3.15Å; E384-R408 IonicContact OE1-CZ 2.72Å; E384-R408 IonicContact OE1-NH2 3.03Å; E384-R408 PolarHBondContact OE1-NH2 2.83Å; E384-R408 IonicContact OE2-CZ 2.62Å; E384-R408 VanDerWaalsContact OE2-CZ 3.26Å; E384-R408 IonicContact OE2-NH1 3.22Å; E384-R408 PolarHBondContact OE2-NH1 3.34Å; E384-R408 IonicContact OE2-NH2 3.79Å; E384-R408 PolarHBondContact OE2-NH2 3.25Å; E384-F412 HydrophobicContact CG-CE1 4.23Å; E384-F412 HydrophobicContact CG-CZ 4.28Å
385	N	96.8	Very high	98.2	Very high	71 Å²	71	22.9 Å²	22.9	38%	0.38	12%	0.116	S	C	.	.	H	α-helix	trans	-71.7	-47.3	176.8	-68.5	-79	0	0	0	109.7	D383 Q387 L388 A389 F412	D383-N385 VanDerWaalsContact C-N 3.32Å; D383-N385 PolarHBondContact O-N 3.18Å; D383-N385 WeakPolarHBondContact OD1-CA 3.46Å; D383-N385 WeakPolarHBondContact OD1-CB 3.45Å; D383-N385 PolarHBondContact OD1-N 2.82Å; N385-Q387 VanDerWaalsContact C-N 3.3Å; N385-Q387 PolarHBondContact O-N 3.45Å; N385-L388 PolarHBondContact O-N 3.08Å; N385-A389 PolarHBondContact O-N 2.77Å; N385-F412 HydrophobicContact CB-CD1 4.47Å; N385-F412 HydrophobicContact CB-CE1 4.36Å; N385-F412 WeakPolarHBondContact OD1-CD1 3.48Å; N385-F412 WeakPolarHBondContact OD1-CE1 2.99Å
386	D	98.4	Very high	98.2	Very high	13 Å²	13	23.2 Å²	23.2	7%	0.07	12%	0.119	C	C	.	.	H	α-helix	trans	-66.1	-34.4	177.4	-169.5	51.4	0	0	0	111.9	G381 E382 D383 A389 L390 S439 R445	G381-D386 WeakPolarHBondContact CA-OD2 3.2Å; E382-D386 HydrophobicContact CB-CB 4.24Å; E382-D386 PolarHBondContact N-OD2 3.42Å; D383-D386 PolarHBondContact OD1-N 2.99Å; D386-A389 PolarHBondContact O-N 2.87Å; D386-L390 WeakPolarHBondContact O-CG 3.32Å; D386-L390 PolarHBondContact O-N 2.82Å; D386-S439 WeakPolarHBondContact OD1-CB 3.46Å; D386-R445 IonicContact OD1-CZ 2.67Å; D386-R445 VanDerWaalsContact OD1-CZ 3.28Å; D386-R445 IonicContact OD1-NE 3.74Å; D386-R445 PolarHBondContact OD1-NE 2.87Å; D386-R445 IonicContact OD1-NH2 3.78Å; D386-R445 PolarHBondContact OD1-NH2 3.41Å; D386-R445 VanDerWaalsContact OD1-NH2 3.09Å; D386-R445 IonicContact OD2-CZ 3.42Å; D386-R445 IonicContact OD2-NE 2.82Å; D386-R445 IonicContact OD2-NH2 3.15Å; D386-R445 PolarHBondContact OD2-NH2 3.34Å
387	Q	98.7	Very high	98.1	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-60.5	-47.6	173.6	-172.3	66	31.4	0	0	111.2	R343 I351 L379 G381 D383 N385 L390 I391	R343-Q387 HydrophobicContact CG-CB 4.19Å; R343-Q387 HydrophobicContact CG-CG 4.2Å; R343-Q387 PolarHBondContact O-NE2 2.89Å; R343-Q387 PolarHBondContact O-OE1 3.07Å; I351-Q387 HydrophobicContact CD1-CB 4.15Å; I351-Q387 HydrophobicContact CD1-CG 3.69Å; L379-Q387 VanDerWaalsContact CB-NE2 3.27Å; L379-Q387 PolarHBondContact O-NE2 3.25Å; L379-Q387 PolarHBondContact O-OE1 3.03Å; G381-Q387 VanDerWaalsContact CA-OE1 3.26Å; D383-Q387 VanDerWaalsContact O-CB 3.25Å; D383-Q387 WeakPolarHBondContact O-CB 3.43Å; D383-Q387 PolarHBondContact O-N 3.09Å; N385-Q387 VanDerWaalsContact C-N 3.3Å; N385-Q387 PolarHBondContact O-N 3.45Å; Q387-L390 PolarHBondContact O-N 2.67Å; Q387-I391 WeakPolarHBondContact O-CG1 3.44Å; Q387-I391 PolarHBondContact O-N 3.19Å
388	L	98.4	Very high	98	Very high	3 Å²	3	19.4 Å²	19.4	2%	0.016	10%	0.104	C	C	.	.	H	α-helix	trans	-69.4	-34	178.2	-170.6	63.8	0	0	0	112.2	I351 L352 E384 N385 L390 I391 I392 F412 W475	I351-L388 HydrophobicContact CG2-CB 4.27Å; I351-L388 HydrophobicContact CG2-CD2 4.41Å; L352-L388 HydrophobicContact CD2-CD2 3.84Å; E384-L388 PolarHBondContact O-N 3.45Å; E384-L388 VanDerWaalsContact O-N 3.15Å; N385-L388 PolarHBondContact O-N 3.08Å; L388-L390 VanDerWaalsContact C-N 3.35Å; L388-L390 PolarHBondContact O-N 3.37Å; L388-I391 HydrophobicContact CD1-CB 4.48Å; L388-I391 HydrophobicContact CD1-CD1 4.3Å; L388-I391 WeakPolarHBondContact O-CB 3.44Å; L388-I391 PolarHBondContact O-N 2.79Å; L388-I392 HydrophobicContact CG-CD1 4.02Å; L388-I392 HydrophobicContact CG-CG1 4.47Å; L388-I392 WeakPolarHBondContact O-CG1 3.19Å; L388-I392 PolarHBondContact O-N 3.18Å; L388-F412 HydrophobicContact CD2-CB 3.41Å; L388-F412 VanDerWaalsContact CD2-CB 3.41Å; L388-F412 HydrophobicContact CD2-CD1 3.79Å; L388-F412 HydrophobicContact CD2-CD2 3.8Å; L388-F412 HydrophobicContact CD2-CG 3.39Å; L388-W475 HydrophobicContact CD1-CH2 3.75Å; L388-W475 HydrophobicContact CD1-CZ3 3.94Å
389	A	98.5	Very high	97.7	Very high	2 Å²	2	21.6 Å²	21.6	2%	0.017	12%	0.119	C	C	.	.	H	α-helix	trans	-58.9	-44.8	173.4	0	0	0	0	0	111.8	N385 D386 I391 I392 E393 Y421 R445	N385-A389 PolarHBondContact O-N 2.77Å; D386-A389 PolarHBondContact O-N 2.87Å; A389-I391 VanDerWaalsContact C-N 3.32Å; A389-I391 PolarHBondContact O-N 2.89Å; A389-I392 PolarHBondContact O-N 3.23Å; A389-E393 VanDerWaalsContact O-CB 3.29Å; A389-E393 WeakPolarHBondContact O-CB 3.45Å; A389-E393 PolarHBondContact O-N 2.93Å; A389-Y421 HydrophobicContact CB-CD1 3.59Å; A389-Y421 HydrophobicContact CB-CD2 3.92Å; A389-Y421 HydrophobicContact CB-CE1 3.92Å; A389-Y421 HydrophobicContact CB-CE2 4.21Å; A389-Y421 HydrophobicContact CB-CG 3.61Å; A389-R445 HydrophobicContact CB-CG 4.37Å
390	L	98.7	Very high	97.4	Very high	5 Å²	5	26 Å²	26	3%	0.026	15%	0.148	C	C	.	.	H	α-helix	trans	-63.5	-36.6	175.3	-73.7	164.9	0	0	0	112.8	L379 G381 D386 Q387 L388 L394	L379-L390 HydrophobicContact CB-CB 4.47Å; L379-L390 HydrophobicContact CD2-CB 3.89Å; G381-L390 VanDerWaalsContact CA-CD1 3.5Å; G381-L390 VanDerWaalsContact N-CD1 3.34Å; D386-L390 WeakPolarHBondContact O-CG 3.32Å; D386-L390 PolarHBondContact O-N 2.82Å; Q387-L390 PolarHBondContact O-N 2.67Å; L388-L390 VanDerWaalsContact C-N 3.35Å; L388-L390 PolarHBondContact O-N 3.37Å; L390-L394 WeakPolarHBondContact O-CB 3.06Å; L390-L394 PolarHBondContact O-N 3.42Å
391	I	98.7	Very high	96.9	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-63.5	-49.1	175	-65.1	170.4	0	0	0	109.7	P348 I351 W363 L379 Q387 L388 A389 E393 L394 L395 W475	P348-I391 HydrophobicContact CB-CD1 4.44Å; I351-I391 HydrophobicContact CD1-CD1 4.1Å; W363-I391 HydrophobicContact CH2-CD1 4.22Å; W363-I391 HydrophobicContact CH2-CG1 4.3Å; W363-I391 HydrophobicContact CH2-CG2 3.76Å; W363-I391 HydrophobicContact CZ2-CD1 3.68Å; W363-I391 HydrophobicContact CZ2-CG1 3.86Å; W363-I391 HydrophobicContact CZ2-CG2 4.19Å; L379-I391 HydrophobicContact CD1-CG1 3.73Å; L379-I391 HydrophobicContact CD2-CG1 4.5Å; Q387-I391 WeakPolarHBondContact O-CG1 3.44Å; Q387-I391 PolarHBondContact O-N 3.19Å; L388-I391 HydrophobicContact CD1-CB 4.48Å; L388-I391 HydrophobicContact CD1-CD1 4.3Å; L388-I391 WeakPolarHBondContact O-CB 3.44Å; L388-I391 PolarHBondContact O-N 2.79Å; A389-I391 VanDerWaalsContact C-N 3.32Å; A389-I391 PolarHBondContact O-N 2.89Å; I391-E393 PolarHBondContact O-N 3.45Å; I391-L394 PolarHBondContact O-N 2.91Å; I391-L395 HydrophobicContact CG2-CD1 3.82Å; I391-L395 HydrophobicContact CG2-CG 4.37Å; I391-L395 WeakPolarHBondContact O-CB 3.46Å; I391-L395 PolarHBondContact O-N 2.91Å; I391-W475 HydrophobicContact CB-CH2 4.27Å; I391-W475 HydrophobicContact CG2-CH2 3.42Å; I391-W475 VanDerWaalsContact CG2-CH2 3.42Å; I391-W475 HydrophobicContact CG2-CZ2 3.45Å; I391-W475 VanDerWaalsContact CG2-CZ2 3.45Å; I391-W475 HydrophobicContact CG2-CZ3 4.06Å
392	I	98.7	Very high	96.5	Very high	2 Å²	2	30 Å²	30	1%	0.01	16%	0.163	C	C	.	.	H	α-helix	trans	-64.8	-40.7	-179.1	-68.9	170.7	0	0	0	111.4	L388 A389 L394 G396 M397 I413 P419 Y421 P448 A449 W475	L388-I392 HydrophobicContact CG-CD1 4.02Å; L388-I392 HydrophobicContact CG-CG1 4.47Å; L388-I392 WeakPolarHBondContact O-CG1 3.19Å; L388-I392 PolarHBondContact O-N 3.18Å; A389-I392 PolarHBondContact O-N 3.23Å; I392-L394 VanDerWaalsContact C-N 3.26Å; I392-L394 PolarHBondContact O-N 3.33Å; I392-G396 WeakPolarHBondContact CA-O 3.29Å; I392-G396 CarbonylContact O-C 3.57Å; I392-G396 WeakPolarHBondContact O-CA 3.22Å; I392-G396 PolarHBondContact O-N 3.22Å; I392-M397 HydrophobicContact CD1-SD 4.45Å; I392-M397 HydrophobicContact CG2-SD 3.75Å; I392-I413 HydrophobicContact CD1-CD1 4.11Å; I392-P419 HydrophobicContact CD1-CB 4.08Å; I392-Y421 HydrophobicContact CB-CE1 4.17Å; I392-Y421 HydrophobicContact CD1-CE1 4.42Å; I392-Y421 HydrophobicContact CG2-CE1 4Å; I392-P448 HydrophobicContact CG2-CB 3.71Å; I392-P448 HydrophobicContact CG2-CG 3.62Å; I392-P448 WeakPolarHBondContact O-CA 3.26Å; I392-A449 PolarHBondContact O-N 3.13Å; I392-W475 HydrophobicContact CG1-CH2 3.87Å; I392-W475 HydrophobicContact CG1-CZ2 3.93Å
393	E	98.6	Very high	96.2	Very high	23 Å²	23	30.5 Å²	30.5	11%	0.107	17%	0.166	C	C	.	.	H	α-helix	trans	-59	-36.6	176.1	-174	-170.8	-154.3	0	0	112.1	A389 I391 G446 A449 S450 R451	A389-E393 VanDerWaalsContact O-CB 3.29Å; A389-E393 WeakPolarHBondContact O-CB 3.45Å; A389-E393 PolarHBondContact O-N 2.93Å; I391-E393 PolarHBondContact O-N 3.45Å; E393-G446 PolarHBondContact OE1-N 3.33Å; E393-A449 CarbonylContact O-C 3.39Å; E393-A449 VanDerWaalsContact O-C 3.26Å; E393-A449 WeakPolarHBondContact O-CA 3.37Å; E393-A449 PolarHBondContact O-N 3.2Å; E393-S450 PolarHBondContact O-N 3.05Å; E393-S450 VanDerWaalsContact O-N 3.07Å; E393-R451 HydrophobicContact CG-CB 3.77Å; E393-R451 PolarHBondContact O-N 2.86Å
394	L	98.7	Very high	95.9	Very high	8 Å²	8	36.3 Å²	36.3	4%	0.042	19%	0.192	C	C	.	.	H	α-helix	trans	-87.1	-43.4	-179.2	-179.6	62.8	0	0	0	113.5	L378 L379 L390 I391 I392 R451 W453 A456	L378-L394 HydrophobicContact CD1-CD2 4.12Å; L378-L394 HydrophobicContact CD2-CD2 4.04Å; L378-L394 HydrophobicContact CG-CD2 4.1Å; L379-L394 HydrophobicContact CD2-CD2 4.11Å; L390-L394 WeakPolarHBondContact O-CB 3.06Å; L390-L394 PolarHBondContact O-N 3.42Å; I391-L394 PolarHBondContact O-N 2.91Å; I392-L394 VanDerWaalsContact C-N 3.26Å; I392-L394 PolarHBondContact O-N 3.33Å; L394-R451 HydrophobicContact CD1-CG 4.44Å; L394-W453 HydrophobicContact CD1-CD2 4.3Å; L394-W453 HydrophobicContact CD2-CH2 4.17Å; L394-W453 HydrophobicContact CD2-CZ2 4.48Å; L394-W453 HydrophobicContact CD2-CZ3 4.32Å; L394-W453 HydrophobicContact CG-CZ2 4.39Å; L394-A456 HydrophobicContact CD1-CB 3.81Å
395	L	98.4	Very high	95.6	Very high	42 Å²	42	38.6 Å²	38.6	22%	0.22	21%	0.209	C	C	.	.	H	α-helix	trans	-104	-9.5	-168.9	-56.7	-175.6	0	0	0	113.8	W363 I391 W453 L473	W363-L395 HydrophobicContact CH2-CD1 3.68Å; W363-L395 HydrophobicContact CZ3-CD1 4.1Å; I391-L395 HydrophobicContact CG2-CD1 3.82Å; I391-L395 HydrophobicContact CG2-CG 4.37Å; I391-L395 WeakPolarHBondContact O-CB 3.46Å; I391-L395 PolarHBondContact O-N 2.91Å; L395-W453 HydrophobicContact CD2-CH2 4.02Å; L395-W453 HydrophobicContact CD2-CZ2 3.44Å; L395-W453 VanDerWaalsContact CD2-CZ2 3.44Å; L395-L473 HydrophobicContact CD1-CB 4.31Å; L395-L473 WeakPolarHBondContact CD1-O 3.23Å
396	G	98.2	Very high	95.5	Very high	8 Å²	8	35.8 Å²	35.8	8%	0.082	20%	0.196	C	C	.	.			trans	81.4	-173.3	-168.2	0	0	0	0	0	112.4	I392 W475	I392-G396 WeakPolarHBondContact CA-O 3.29Å; I392-G396 CarbonylContact O-C 3.57Å; I392-G396 WeakPolarHBondContact O-CA 3.22Å; I392-G396 PolarHBondContact O-N 3.22Å; G396-W475 VanDerWaalsContact O-CZ2 3.29Å; G396-W475 WeakPolarHBondContact O-CZ2 3.45Å; G396-W475 PolarHBondContact O-NE1 3.34Å
397	M	97.4	Very high	95.4	Very high	62 Å²	62	44.2 Å²	44.2	31%	0.305	23%	0.232	S	C	.	.	S	Bend	trans	-67.4	145.4	-177.4	-69.7	-63.4	-68	0	0	112	I392 I413 G417 P419 P448	I392-M397 HydrophobicContact CD1-SD 4.45Å; I392-M397 HydrophobicContact CG2-SD 3.75Å; M397-I413 HydrophobicContact CE-CD1 3.97Å; M397-I413 HydrophobicContact CE-CG2 4.49Å; M397-G417 WeakPolarHBondContact CE-O 3.38Å; M397-P419 HydrophobicContact CE-CB 4.48Å; M397-P419 HydrophobicContact CE-CG 4.5Å; M397-P419 HydrophobicContact SD-CB 4.13Å; M397-P419 HydrophobicContact SD-CG 3.84Å; M397-P448 HydrophobicContact CG-CB 3.93Å; M397-P448 HydrophobicContact CG-CG 3.89Å; M397-P448 HydrophobicContact SD-CB 4.21Å; M397-P448 HydrophobicContact SD-CG 3.66Å
398	P	95.4	Very high	95.2	Very high	8 Å²	8	47.8 Å²	47.8	5%	0.052	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-58.2	142.3	169	23.1	-32.5	0	0	0	110.7	L403 W475	P398-L403 HydrophobicContact CB-CD2 4.17Å; P398-L403 HydrophobicContact CB-CG 4.33Å; P398-L403 HydrophobicContact CG-CD1 4.16Å; P398-L403 HydrophobicContact CG-CD2 3.72Å; P398-L403 HydrophobicContact CG-CG 4.06Å; P398-W475 HydrophobicContact CB-CD2 3.95Å; P398-W475 HydrophobicContact CB-CE3 3.71Å; P398-W475 HydrophobicContact CB-CH2 4.01Å; P398-W475 HydrophobicContact CB-CZ2 4.24Å; P398-W475 HydrophobicContact CB-CZ3 3.74Å; P398-W475 HydrophobicContact CG-CH2 4.21Å; P398-W475 HydrophobicContact CG-CZ3 4.29Å
399	P	93.4	Very high	95.1	Very high	51 Å²	51	48.2 Å²	48.2	33%	0.331	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-57.1	147.5	172.6	-23.6	33.2	0	0	0	111.9	K401 S402 L403 W475	P399-K401 VanDerWaalsContact C-N 3.3Å; P399-K401 PolarHBondContact O-N 3.31Å; P399-S402 WeakPolarHBondContact O-CB 3.42Å; P399-S402 PolarHBondContact O-N 3.41Å; P399-L403 PolarHBondContact O-N 3.37Å; P399-W475 HydrophobicContact CG-CB 4.14Å
400	P	91.3	Very high	95	Very high	96 Å²	96	58.7 Å²	58.7	62%	0.623	29%	0.288	S	S	*	.	H	α-helix	trans	-53.7	-43.2	179.2	-28.6	35.6	0	0	0	113.8	S402 L403 E404	P400-S402 PolarHBondContact O-N 3.47Å; P400-L403 WeakPolarHBondContact O-CA 3.29Å; P400-L403 WeakPolarHBondContact O-CB 3.35Å; P400-L403 PolarHBondContact O-N 3Å; P400-E404 PolarHBondContact O-N 2.91Å; P400-E404 VanDerWaalsContact O-N 3.13Å
401	K	88.9	Confident	94.9	Very high	110 Å²	110	61.7 Å²	61.7	48%	0.478	31%	0.307	S	S	.	.	H	α-helix	trans	-52.9	-38.5	175.5	-175.5	-170.1	169.2	-151.2	0	112.3	P399 L403 D476 E478	P399-K401 VanDerWaalsContact C-N 3.3Å; P399-K401 PolarHBondContact O-N 3.31Å; K401-L403 VanDerWaalsContact C-N 3.28Å; K401-L403 PolarHBondContact O-N 3.08Å; K401-D476 IonicContact NZ-OD2 2.71Å; K401-D476 PolarHBondContact NZ-OD2 3.02Å; K401-E478 IonicContact NZ-OE2 3.65Å; K401-E478 PolarHBondContact NZ-OE2 2.89Å
402	S	88.6	Confident	94.8	Very high	17 Å²	17	62.2 Å²	62.2	12%	0.119	31%	0.309	C	S	.	.	H	α-helix	trans	-70.1	-24.6	178.8	-51.6	0	0	0	0	112.8	P399 P400 A406	P399-S402 WeakPolarHBondContact O-CB 3.42Å; P399-S402 PolarHBondContact O-N 3.41Å; P400-S402 PolarHBondContact O-N 3.47Å; S402-A406 WeakPolarHBondContact O-CB 3.32Å
403	L	91.7	Very high	94.7	Very high	39 Å²	39	62.5 Å²	62.5	20%	0.204	31%	0.311	C	S	.	.	H	α-helix	trans	-87.4	-27.9	179	-63.7	179.9	0	0	0	113.2	L352 P398 P399 P400 K401 T405 A406 A409 I413	L352-L403 HydrophobicContact CD1-CD2 4.48Å; L352-L403 HydrophobicContact CD2-CD2 4.42Å; P398-L403 HydrophobicContact CB-CD2 4.17Å; P398-L403 HydrophobicContact CB-CG 4.33Å; P398-L403 HydrophobicContact CG-CD1 4.16Å; P398-L403 HydrophobicContact CG-CD2 3.72Å; P398-L403 HydrophobicContact CG-CG 4.06Å; P399-L403 PolarHBondContact O-N 3.37Å; P400-L403 WeakPolarHBondContact O-CA 3.29Å; P400-L403 WeakPolarHBondContact O-CB 3.35Å; P400-L403 PolarHBondContact O-N 3Å; K401-L403 VanDerWaalsContact C-N 3.28Å; K401-L403 PolarHBondContact O-N 3.08Å; L403-T405 VanDerWaalsContact C-N 3.31Å; L403-T405 PolarHBondContact O-N 3.44Å; L403-A406 WeakPolarHBondContact O-CB 3.12Å; L403-A406 PolarHBondContact O-N 3.16Å; L403-A409 HydrophobicContact CD2-CB 4.05Å; L403-I413 HydrophobicContact CD1-CG1 4.46Å; L403-I413 HydrophobicContact CD1-CG2 4.43Å; L403-I413 HydrophobicContact CD2-CG1 4.13Å
404	E	89.9	Confident	94.5	Very high	155 Å²	155	63.3 Å²	63.3	72%	0.724	32%	0.317	S	S	*	.	H	α-helix	trans	-59.5	-40	-178.5	-73.8	169.5	-164.2	0	0	112.9	P400	P400-E404 PolarHBondContact O-N 2.91Å; P400-E404 VanDerWaalsContact O-N 3.13Å
405	T	89.9	Confident	94.2	Very high	96 Å²	96	69.1 Å²	69.1	59%	0.589	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-2.2	-179.7	62	0	0	0	0	113.3	L403 K407	L403-T405 VanDerWaalsContact C-N 3.31Å; L403-T405 PolarHBondContact O-N 3.44Å; T405-K407 PolarHBondContact O-N 3.07Å
406	A	94.8	Very high	93.8	Very high	11 Å²	11	74.7 Å²	74.7	9%	0.091	38%	0.381	C	S	.	.			trans	-83.4	103.1	-173.2	0	0	0	0	0	111.9	L352 T354 S402 L403 R408 A409	L352-A406 HydrophobicContact CB-CB 3.92Å; L352-A406 CarbonylContact O-C 3.59Å; T354-A406 VanDerWaalsContact CG2-CA 3.43Å; T354-A406 HydrophobicContact CG2-CB 3.61Å; S402-A406 WeakPolarHBondContact O-CB 3.32Å; L403-A406 WeakPolarHBondContact O-CB 3.12Å; L403-A406 PolarHBondContact O-N 3.16Å; A406-R408 PolarHBondContact O-N 2.95Å; A406-A409 HydrophobicContact CB-CB 3.76Å; A406-A409 WeakPolarHBondContact O-CB 3.3Å; A406-A409 PolarHBondContact O-N 3.12Å; A406-A409 VanDerWaalsContact O-N 3.12Å
407	K	95.6	Very high	93.5	Very high	190 Å²	190	76 Å²	76	83%	0.826	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-25.7	180	-62.4	180	-178.5	-179.8	0	113.5	L352 T405	L352-K407 PolarHBondContact O-N 3.35Å; T405-K407 PolarHBondContact O-N 3.07Å
408	R	96.1	Very high	93.4	Very high	75 Å²	75	76.5 Å²	76.5	28%	0.283	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.7	8.7	-177	-51.7	178.1	68.7	-150.3	6	113.4	I351 L352 E384 A406 R410 T411 F412	I351-R408 PolarHBondContact O-NH1 3Å; L352-R408 WeakPolarHBondContact O-CA 3.42Å; L352-R408 WeakPolarHBondContact O-CB 3.5Å; L352-R408 PolarHBondContact O-N 3.24Å; E384-R408 IonicContact OE1-CZ 2.72Å; E384-R408 IonicContact OE1-NH2 3.03Å; E384-R408 PolarHBondContact OE1-NH2 2.83Å; E384-R408 IonicContact OE2-CZ 2.62Å; E384-R408 VanDerWaalsContact OE2-CZ 3.26Å; E384-R408 IonicContact OE2-NH1 3.22Å; E384-R408 PolarHBondContact OE2-NH1 3.34Å; E384-R408 IonicContact OE2-NH2 3.79Å; E384-R408 PolarHBondContact OE2-NH2 3.25Å; A406-R408 PolarHBondContact O-N 2.95Å; R408-R410 PolarHBondContact O-N 2.86Å; R408-T411 VanDerWaalsContact O-CB 3.26Å; R408-T411 WeakPolarHBondContact O-CB 3.18Å; R408-T411 PolarHBondContact O-N 3.06Å; R408-T411 PolarHBondContact O-OG1 2.84Å; R408-F412 HydrophobicContact CB-CE2 4.08Å; R408-F412 VanDerWaalsContact O-CD2 3.24Å; R408-F412 WeakPolarHBondContact O-CD2 3.29Å
409	A	95.8	Very high	93.5	Very high	12 Å²	12	76.2 Å²	76.2	10%	0.099	39%	0.392	C	S	.	.	H	α-helix	trans	-53.5	-41.6	-178.8	0	0	0	0	0	112.8	L403 A406 T411 F412 I413	L403-A409 HydrophobicContact CD2-CB 4.05Å; A406-A409 HydrophobicContact CB-CB 3.76Å; A406-A409 WeakPolarHBondContact O-CB 3.3Å; A406-A409 PolarHBondContact O-N 3.12Å; A406-A409 VanDerWaalsContact O-N 3.12Å; A409-T411 PolarHBondContact O-N 3.27Å; A409-T411 VanDerWaalsContact O-N 3.13Å; A409-F412 PolarHBondContact O-N 3.33Å; A409-I413 PolarHBondContact O-N 2.98Å
410	R	95.6	Very high	93.6	Very high	222 Å²	222	80.5 Å²	80.5	84%	0.838	40%	0.402	S	S	*	.	H	α-helix	trans	-63.2	-19.8	-178.8	-65.1	-177.4	-178.2	177.4	0.8	114.1	R408 F412 R420	R408-R410 PolarHBondContact O-N 2.86Å; R410-F412 VanDerWaalsContact C-N 3.29Å; R410-R420 PolarHBondContact O-NE 2.92Å; R410-R420 PolarHBondContact O-NH2 3.47Å; R410-R420 VanDerWaalsContact O-NH2 3.08Å
411	T	96.5	Very high	93.9	Very high	69 Å²	69	78.1 Å²	78.1	42%	0.423	38%	0.38	S	S	.	.	H	α-helix	trans	-69.6	-29.8	174	-55.4	0	0	0	0	111.7	R408 A409 R420	R408-T411 VanDerWaalsContact O-CB 3.26Å; R408-T411 WeakPolarHBondContact O-CB 3.18Å; R408-T411 PolarHBondContact O-N 3.06Å; R408-T411 PolarHBondContact O-OG1 2.84Å; A409-T411 PolarHBondContact O-N 3.27Å; A409-T411 VanDerWaalsContact O-N 3.13Å; T411-R420 VanDerWaalsContact O-CD 3.24Å; T411-R420 WeakPolarHBondContact O-CD 3.35Å
412	F	96.9	Very high	94.3	Very high	10 Å²	10	73.6 Å²	73.6	4%	0.044	36%	0.363	C	S	.	.	H	α-helix	trans	-116.2	-26.7	-170.6	-52.8	-74.5	0	0	0	113.7	I351 L352 E384 N385 L388 R408 A409 R410 R420	I351-F412 HydrophobicContact CG2-CE1 4.13Å; I351-F412 HydrophobicContact CG2-CE2 3.89Å; I351-F412 HydrophobicContact CG2-CZ 3.6Å; L352-F412 HydrophobicContact CD2-CD2 4.02Å; E384-F412 HydrophobicContact CG-CE1 4.23Å; E384-F412 HydrophobicContact CG-CZ 4.28Å; N385-F412 HydrophobicContact CB-CD1 4.47Å; N385-F412 HydrophobicContact CB-CE1 4.36Å; N385-F412 WeakPolarHBondContact OD1-CD1 3.48Å; N385-F412 WeakPolarHBondContact OD1-CE1 2.99Å; L388-F412 HydrophobicContact CD2-CB 3.41Å; L388-F412 VanDerWaalsContact CD2-CB 3.41Å; L388-F412 HydrophobicContact CD2-CD1 3.79Å; L388-F412 HydrophobicContact CD2-CD2 3.8Å; L388-F412 HydrophobicContact CD2-CG 3.39Å; R408-F412 HydrophobicContact CB-CE2 4.08Å; R408-F412 VanDerWaalsContact O-CD2 3.24Å; R408-F412 WeakPolarHBondContact O-CD2 3.29Å; A409-F412 PolarHBondContact O-N 3.33Å; R410-F412 VanDerWaalsContact C-N 3.29Å; F412-R420 WeakPolarHBondContact O-CB 3.19Å; F412-R420 WeakPolarHBondContact O-CG 3.34Å; F412-R420 PolarHBondContact O-N 3.18Å
413	I	96.8	Very high	94.5	Very high	8 Å²	8	76.9 Å²	76.9	4%	0.041	38%	0.382	C	S	.	.	B	Isolated β-bridge	trans	-119.2	137.5	-176.5	-48	-60.1	0	0	0	108.7	I392 M397 L403 A409 P419 R420	I392-I413 HydrophobicContact CD1-CD1 4.11Å; M397-I413 HydrophobicContact CE-CD1 3.97Å; M397-I413 HydrophobicContact CE-CG2 4.49Å; L403-I413 HydrophobicContact CD1-CG1 4.46Å; L403-I413 HydrophobicContact CD1-CG2 4.43Å; L403-I413 HydrophobicContact CD2-CG1 4.13Å; A409-I413 PolarHBondContact O-N 2.98Å; I413-P419 HydrophobicContact CD1-CB 4.25Å; I413-R420 PolarHBondContact O-NE 3.22Å
414	T	95.2	Very high	94.7	Very high	41 Å²	41	77.4 Å²	77.4	25%	0.252	39%	0.392	S	S	.	.			trans	-72.9	164.9	175.5	64.5	0	0	0	0	111	K416 G417 Y418 R420	T414-K416 PolarHBondContact O-N 3.15Å; T414-G417 PolarHBondContact O-N 3.14Å; T414-Y418 WeakPolarHBondContact CG2-O 3.37Å; T414-Y418 PolarHBondContact N-O 3.43Å; T414-Y418 PolarHBondContact OG1-N 3.44Å; T414-Y418 PolarHBondContact OG1-O 3.09Å; T414-R420 HydrophobicContact CG2-CG 3.69Å
415	S	91.3	Very high	94.9	Very high	129 Å²	129	73.4 Å²	73.4	90%	0.902	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-24.3	174.7	50.8	0	0	0	0	113.7	G417	S415-G417 VanDerWaalsContact C-N 3.25Å; S415-G417 PolarHBondContact O-N 3.02Å
416	K	91.1	Very high	95.1	Very high	159 Å²	159	73.1 Å²	73.1	69%	0.691	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	1.7	175.5	-61.6	-174.6	179.3	-177	0	113.3	T414 Y418	T414-K416 PolarHBondContact O-N 3.15Å; K416-Y418 HydrophobicContact CB-CD2 3.68Å; K416-Y418 HydrophobicContact CB-CE2 3.53Å; K416-Y418 HydrophobicContact CD-CD2 4.47Å; K416-Y418 HydrophobicContact CD-CE2 3.97Å; K416-Y418 HydrophobicContact CG-CE2 4.41Å
417	G	92	Very high	95	Very high	37 Å²	37	76.5 Å²	76.5	38%	0.381	40%	0.395	S	S	.	.	S	Bend	trans	85.2	2.3	-179.7	0	0	0	0	0	115	M397 T414 S415	M397-G417 WeakPolarHBondContact CE-O 3.38Å; T414-G417 PolarHBondContact O-N 3.14Å; S415-G417 VanDerWaalsContact C-N 3.25Å; S415-G417 PolarHBondContact O-N 3.02Å
418	Y	95.2	Very high	94.9	Very high	72 Å²	72	74.2 Å²	74.2	28%	0.282	40%	0.4	S	S	.	.			trans	-84.6	146	177.7	-50.9	-51.8	0	0	0	112.1	T414 K416 A424 V432 L434	T414-Y418 WeakPolarHBondContact CG2-O 3.37Å; T414-Y418 PolarHBondContact N-O 3.43Å; T414-Y418 PolarHBondContact OG1-N 3.44Å; T414-Y418 PolarHBondContact OG1-O 3.09Å; K416-Y418 HydrophobicContact CB-CD2 3.68Å; K416-Y418 HydrophobicContact CB-CE2 3.53Å; K416-Y418 HydrophobicContact CD-CD2 4.47Å; K416-Y418 HydrophobicContact CD-CE2 3.97Å; K416-Y418 HydrophobicContact CG-CE2 4.41Å; Y418-A424 HydrophobicContact CD2-CB 3.97Å; Y418-A424 HydrophobicContact CE2-CB 4.4Å; Y418-A424 HydrophobicContact CG-CB 4.38Å; Y418-V432 HydrophobicContact CE1-CG1 4.25Å; Y418-V432 HydrophobicContact CE2-CG1 4.25Å; Y418-L434 HydrophobicContact CD1-CD1 4.33Å; Y418-L434 HydrophobicContact CD1-CD2 3.96Å; Y418-L434 HydrophobicContact CG-CD2 4.04Å
419	P	96.9	Very high	94.8	Very high	2 Å²	2	76.6 Å²	76.6	1%	0.013	42%	0.418	C	S	.	.	B	Isolated β-bridge	trans	-70.3	133.9	176	31.3	-33.5	0	0	0	110.3	I392 M397 I413 Y421 C422 L434 P448	I392-P419 HydrophobicContact CD1-CB 4.08Å; M397-P419 HydrophobicContact CE-CB 4.48Å; M397-P419 HydrophobicContact CE-CG 4.5Å; M397-P419 HydrophobicContact SD-CB 4.13Å; M397-P419 HydrophobicContact SD-CG 3.84Å; I413-P419 HydrophobicContact CD1-CB 4.25Å; P419-Y421 HydrophobicContact CB-CD1 3.69Å; P419-Y421 HydrophobicContact CB-CE1 3.6Å; P419-Y421 HydrophobicContact CG-CD1 4.29Å; P419-Y421 HydrophobicContact CG-CE1 3.87Å; P419-Y421 PolarHBondContact O-N 3.44Å; P419-C422 HydrophobicContact CG-CB 4.02Å; P419-C422 PolarHBondContact O-N 2.82Å; P419-L434 HydrophobicContact CG-CD1 4.45Å; P419-P448 HydrophobicContact CG-CG 4.02Å
420	R	96.5	Very high	94.5	Very high	141 Å²	141	79 Å²	79	53%	0.532	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-18	-174.9	-73.6	178.4	178.4	-82.4	5.7	114.4	R410 T411 F412 I413 T414	R410-R420 PolarHBondContact O-NE 2.92Å; R410-R420 PolarHBondContact O-NH2 3.47Å; R410-R420 VanDerWaalsContact O-NH2 3.08Å; T411-R420 VanDerWaalsContact O-CD 3.24Å; T411-R420 WeakPolarHBondContact O-CD 3.35Å; F412-R420 WeakPolarHBondContact O-CB 3.19Å; F412-R420 WeakPolarHBondContact O-CG 3.34Å; F412-R420 PolarHBondContact O-N 3.18Å; I413-R420 PolarHBondContact O-NE 3.22Å; T414-R420 HydrophobicContact CG2-CG 3.69Å
421	Y	96.4	Very high	94.3	Very high	45 Å²	45	70.8 Å²	70.8	18%	0.176	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-17.1	173.6	84.3	-90.2	0	0	0	112	A389 I392 P419 A437 R445 G446	A389-Y421 HydrophobicContact CB-CD1 3.59Å; A389-Y421 HydrophobicContact CB-CD2 3.92Å; A389-Y421 HydrophobicContact CB-CE1 3.92Å; A389-Y421 HydrophobicContact CB-CE2 4.21Å; A389-Y421 HydrophobicContact CB-CG 3.61Å; I392-Y421 HydrophobicContact CB-CE1 4.17Å; I392-Y421 HydrophobicContact CD1-CE1 4.42Å; I392-Y421 HydrophobicContact CG2-CE1 4Å; P419-Y421 HydrophobicContact CB-CD1 3.69Å; P419-Y421 HydrophobicContact CB-CE1 3.6Å; P419-Y421 HydrophobicContact CG-CD1 4.29Å; P419-Y421 HydrophobicContact CG-CE1 3.87Å; P419-Y421 PolarHBondContact O-N 3.44Å; Y421-A437 WeakPolarHBondContact O-CB 3.5Å; Y421-R445 HydrophobicContact CD2-CB 4.04Å; Y421-R445 HydrophobicContact CE2-CB 3.83Å; Y421-G446 VanDerWaalsContact CE2-O 3.27Å; Y421-G446 WeakPolarHBondContact CE2-O 3.46Å; Y421-G446 PolarHBondContact OH-O 3.05Å
422	C	96.8	Very high	94.2	Very high	16 Å²	16	70 Å²	70	11%	0.108	42%	0.416	C	S	.	.	S	Bend	trans	-92.3	151.2	176.6	-71.6	0	0	0	0	111.8	P419 L434 A435	P419-C422 HydrophobicContact CG-CB 4.02Å; P419-C422 PolarHBondContact O-N 2.82Å; C422-L434 HydrophobicContact CB-CB 4.3Å; C422-L434 HydrophobicContact CB-CD2 4.38Å; C422-A435 CarbonylContact C-O 3.58Å; C422-A435 WeakPolarHBondContact CA-O 3.28Å; C422-A435 VanDerWaalsContact CB-O 3.29Å; C422-A435 WeakPolarHBondContact CB-O 3.45Å
423	T	94.6	Very high	94	Very high	86 Å²	86	72.8 Å²	72.8	53%	0.528	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	126.9	163.4	-55.9	0	0	0	0	108.6	L434 A435	T423-L434 WeakPolarHBondContact O-CA 3.46Å; T423-A435 PolarHBondContact N-O 3.37Å; T423-A435 PolarHBondContact O-N 3.49Å
424	A	94.3	Very high	94	Very high	49 Å²	49	74.2 Å²	74.2	41%	0.405	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	119	176.8	0	0	0	0	0	110	Y418 V432 L434	Y418-A424 HydrophobicContact CD2-CB 3.97Å; Y418-A424 HydrophobicContact CE2-CB 4.4Å; Y418-A424 HydrophobicContact CG-CB 4.38Å; A424-V432 HydrophobicContact CB-CG1 3.97Å; A424-L434 HydrophobicContact CB-CD2 3.65Å
425	T	94.3	Very high	94	Very high	71 Å²	71	74.6 Å²	74.6	44%	0.436	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	121.6	179	-55.4	0	0	0	0	109.4	V432 V433	T425-V432 WeakPolarHBondContact O-CA 3.34Å; T425-V433 PolarHBondContact N-O 3.11Å; T425-V433 PolarHBondContact O-N 3.25Å
426	S	93.8	Very high	94.1	Very high	90 Å²	90	69.5 Å²	69.5	63%	0.629	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.1	127.7	171.6	-66.7	0	0	0	0	109.8
427	M	93.8	Very high	94.3	Very high	82 Å²	82	63.4 Å²	63.4	40%	0.404	40%	0.396	S	S	.	.			trans	-88.6	160.3	176.6	-65.9	-59.3	-152.1	0	0	110.8	D429 G430 S431 V433	M427-D429 WeakPolarHBondContact CB-OD1 3.45Å; M427-D429 PolarHBondContact O-N 3.44Å; M427-G430 PolarHBondContact O-N 2.94Å; M427-S431 WeakPolarHBondContact CB-OG 3.1Å; M427-S431 PolarHBondContact N-O 2.68Å; M427-V433 HydrophobicContact CE-CB 4.14Å; M427-V433 HydrophobicContact CE-CG2 3.58Å; M427-V433 HydrophobicContact CG-CG2 3.9Å
428	P	93.6	Very high	94.4	Very high	142 Å²	142	69.9 Å²	69.9	92%	0.922	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-24.6	178.6	-25.3	35.3	0	0	0	114.6	G430	P428-G430 PolarHBondContact O-N 3.07Å
429	D	93.5	Very high	94.4	Very high	125 Å²	125	67.2 Å²	67.2	67%	0.668	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	2.6	176.2	67.9	-3.2	0	0	0	113.6	M427 S431	M427-D429 WeakPolarHBondContact CB-OD1 3.45Å; M427-D429 PolarHBondContact O-N 3.44Å; D429-S431 VanDerWaalsContact C-N 3.28Å; D429-S431 PolarHBondContact O-N 3.31Å; D429-S431 WeakPolarHBondContact OD1-CB 3.25Å; D429-S431 PolarHBondContact OD1-N 3.43Å; D429-S431 PolarHBondContact OD1-OG 2.9Å; D429-S431 PolarHBondContact OD2-OG 3.38Å
430	G	89.5	Confident	94.2	Very high	64 Å²	64	75.5 Å²	75.5	66%	0.66	44%	0.436	S	S	*	.	S	Bend	trans	82.8	-4.3	-177.7	0	0	0	0	0	114.6	M427 P428	M427-G430 PolarHBondContact O-N 2.94Å; P428-G430 PolarHBondContact O-N 3.07Å
431	S	92.2	Very high	94.1	Very high	49 Å²	49	78.4 Å²	78.4	34%	0.343	45%	0.447	S	S	.	.			trans	-71.2	156.9	173.4	72.7	0	0	0	0	111.4	M427 D429	M427-S431 WeakPolarHBondContact CB-OG 3.1Å; M427-S431 PolarHBondContact N-O 2.68Å; D429-S431 VanDerWaalsContact C-N 3.28Å; D429-S431 PolarHBondContact O-N 3.31Å; D429-S431 WeakPolarHBondContact OD1-CB 3.25Å; D429-S431 PolarHBondContact OD1-N 3.43Å; D429-S431 PolarHBondContact OD1-OG 2.9Å; D429-S431 PolarHBondContact OD2-OG 3.38Å
432	V	92.9	Very high	94	Very high	51 Å²	51	77.8 Å²	77.8	31%	0.309	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	123.5	176.3	176.8	0	0	0	0	108.9	Y418 A424 T425 L434	Y418-V432 HydrophobicContact CE1-CG1 4.25Å; Y418-V432 HydrophobicContact CE2-CG1 4.25Å; A424-V432 HydrophobicContact CB-CG1 3.97Å; T425-V432 WeakPolarHBondContact O-CA 3.34Å; V432-L434 HydrophobicContact CG1-CD2 4.38Å
433	V	94.1	Very high	93.9	Very high	70 Å²	70	82.2 Å²	82.2	42%	0.424	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	129.1	174.6	178.7	0	0	0	0	109.1	T425 M427	T425-V433 PolarHBondContact N-O 3.11Å; T425-V433 PolarHBondContact O-N 3.25Å; M427-V433 HydrophobicContact CE-CB 4.14Å; M427-V433 HydrophobicContact CE-CG2 3.58Å; M427-V433 HydrophobicContact CG-CG2 3.9Å
434	L	96.1	Very high	94	Very high	38 Å²	38	83 Å²	83	20%	0.199	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	121.7	174.2	-62.2	-178.6	0	0	0	109.6	Y418 P419 C422 T423 A424 V432 P447 P448	Y418-L434 HydrophobicContact CD1-CD1 4.33Å; Y418-L434 HydrophobicContact CD1-CD2 3.96Å; Y418-L434 HydrophobicContact CG-CD2 4.04Å; P419-L434 HydrophobicContact CG-CD1 4.45Å; C422-L434 HydrophobicContact CB-CB 4.3Å; C422-L434 HydrophobicContact CB-CD2 4.38Å; T423-L434 WeakPolarHBondContact O-CA 3.46Å; A424-L434 HydrophobicContact CB-CD2 3.65Å; V432-L434 HydrophobicContact CG1-CD2 4.38Å; L434-P447 HydrophobicContact CB-CB 4.16Å; L434-P447 WeakPolarHBondContact O-CB 3.28Å; L434-P448 HydrophobicContact CD1-CG 4.03Å
435	A	95.6	Very high	94.1	Very high	48 Å²	48	81.3 Å²	81.3	40%	0.397	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	136.9	168.9	0	0	0	0	0	109.9	C422 T423	C422-A435 CarbonylContact C-O 3.58Å; C422-A435 WeakPolarHBondContact CA-O 3.28Å; C422-A435 VanDerWaalsContact CB-O 3.29Å; C422-A435 WeakPolarHBondContact CB-O 3.45Å; T423-A435 PolarHBondContact N-O 3.37Å; T423-A435 PolarHBondContact O-N 3.49Å
436	G	94.1	Very high	94.3	Very high	23 Å²	23	78.4 Å²	78.4	24%	0.237	44%	0.438	C	S	.	.	P	Polyproline II helix	trans	-62.2	173	171.2	0	0	0	0	0	113.3	R445	G436-R445 CarbonylContact C-O 3.59Å; G436-R445 WeakPolarHBondContact CA-O 3.49Å
437	A	93.9	Very high	94.5	Very high	31 Å²	31	76.1 Å²	76.1	26%	0.256	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	167.6	176.3	0	0	0	0	0	112	Y421 R445	Y421-A437 WeakPolarHBondContact O-CB 3.5Å; A437-R445 PolarHBondContact N-O 3.39Å; A437-R445 PolarHBondContact O-N 3.03Å
438	R	95	Very high	94.7	Very high	172 Å²	172	73.8 Å²	73.8	65%	0.649	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.9	139.9	173.7	-67.6	-175.8	-179.7	-91.7	2.7	110.6	G442 K443 M444	R438-G442 PolarHBondContact NH1-O 3.48Å; R438-K443 CarbonylContact C-O 3.47Å; R438-K443 WeakPolarHBondContact CA-O 3.29Å; R438-M444 HydrophobicContact CG-CE 4.02Å; R438-M444 HydrophobicContact CG-SD 4.25Å
439	S	94.4	Very high	94.9	Very high	17 Å²	17	70 Å²	70	12%	0.119	39%	0.393	C	S	.	.			trans	-65.3	172.7	167.2	72.2	0	0	0	0	111.2	E382 D386 R441 G442 K443	E382-S439 VanDerWaalsContact CD-OG 3.23Å; E382-S439 VanDerWaalsContact OE1-CB 3.28Å; E382-S439 WeakPolarHBondContact OE1-CB 3.5Å; E382-S439 PolarHBondContact OE1-OG 2.97Å; E382-S439 WeakPolarHBondContact OE2-CB 3.16Å; E382-S439 PolarHBondContact OE2-OG 2.68Å; D386-S439 WeakPolarHBondContact OD1-CB 3.46Å; S439-R441 PolarHBondContact O-N 3.41Å; S439-G442 WeakPolarHBondContact O-CA 3.22Å; S439-G442 PolarHBondContact O-N 3.04Å; S439-K443 PolarHBondContact N-O 3.45Å; S439-K443 PolarHBondContact OG-N 3.19Å; S439-K443 VanDerWaalsContact OG-N 3.09Å; S439-K443 PolarHBondContact OG-O 3.35Å
440	K	93.3	Very high	95.1	Very high	175 Å²	175	67.1 Å²	67.1	76%	0.761	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-33	177.5	-69.8	174.8	176.6	164.8	0	112.4	E382 D383 G442	E382-K440 PolarHBondContact OE2-N 2.89Å; D383-K440 WeakPolarHBondContact OD2-CE 3.37Å; D383-K440 IonicContact OD2-NZ 3.37Å; D383-K440 PolarHBondContact OD2-NZ 3.36Å; K440-G442 VanDerWaalsContact C-N 3.29Å
441	R	94.3	Very high	95.5	Very high	203 Å²	203	66.9 Å²	66.9	77%	0.766	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	15	174.1	-56.6	176.6	179.5	-175.4	-2.8	113.8	E382 S439 K443	E382-R441 HydrophobicContact CG-CG 4.32Å; E382-R441 WeakPolarHBondContact OE1-CB 3.18Å; E382-R441 WeakPolarHBondContact OE2-CG 3.12Å; E382-R441 PolarHBondContact OE2-N 2.91Å; S439-R441 PolarHBondContact O-N 3.41Å; R441-K443 PolarHBondContact O-N 3.44Å
442	G	94.2	Very high	95.7	Very high	31 Å²	31	66.9 Å²	66.9	32%	0.32	36%	0.362	S	S	.	.	S	Bend	trans	81.2	6.3	172.4	0	0	0	0	0	115.7	R438 S439 K440	R438-G442 PolarHBondContact NH1-O 3.48Å; S439-G442 WeakPolarHBondContact O-CA 3.22Å; S439-G442 PolarHBondContact O-N 3.04Å; K440-G442 VanDerWaalsContact C-N 3.29Å
443	K	94.9	Very high	96	Very high	109 Å²	109	66.1 Å²	66.1	47%	0.474	35%	0.353	S	S	.	.			trans	-78.9	133.1	179.1	-61.7	-178.3	176.6	-179.6	0	110.3	R438 S439 R441 R445	R438-K443 CarbonylContact C-O 3.47Å; R438-K443 WeakPolarHBondContact CA-O 3.29Å; S439-K443 PolarHBondContact N-O 3.45Å; S439-K443 PolarHBondContact OG-N 3.19Å; S439-K443 VanDerWaalsContact OG-N 3.09Å; S439-K443 PolarHBondContact OG-O 3.35Å; R441-K443 PolarHBondContact O-N 3.44Å; K443-R445 PolarHBondContact O-NH1 2.98Å
444	M	96	Very high	96.1	Very high	103 Å²	103	65.7 Å²	65.7	51%	0.507	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	141.8	178.5	-167.5	61.3	74.2	0	0	111.4	R438	R438-M444 HydrophobicContact CG-CE 4.02Å; R438-M444 HydrophobicContact CG-SD 4.25Å
445	R	97.1	Very high	96.2	Very high	14 Å²	14	68.4 Å²	68.4	5%	0.053	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	117.5	166.8	-57.4	-64.7	175.4	-92.4	-7.7	107.4	E382 D386 A389 Y421 G436 A437 K443	E382-R445 IonicContact OE1-NH2 3.71Å; D386-R445 IonicContact OD1-CZ 2.67Å; D386-R445 VanDerWaalsContact OD1-CZ 3.28Å; D386-R445 IonicContact OD1-NE 3.74Å; D386-R445 PolarHBondContact OD1-NE 2.87Å; D386-R445 IonicContact OD1-NH2 3.78Å; D386-R445 PolarHBondContact OD1-NH2 3.41Å; D386-R445 VanDerWaalsContact OD1-NH2 3.09Å; D386-R445 IonicContact OD2-CZ 3.42Å; D386-R445 IonicContact OD2-NE 2.82Å; D386-R445 IonicContact OD2-NH2 3.15Å; D386-R445 PolarHBondContact OD2-NH2 3.34Å; A389-R445 HydrophobicContact CB-CG 4.37Å; Y421-R445 HydrophobicContact CD2-CB 4.04Å; Y421-R445 HydrophobicContact CE2-CB 3.83Å; G436-R445 CarbonylContact C-O 3.59Å; G436-R445 WeakPolarHBondContact CA-O 3.49Å; A437-R445 PolarHBondContact N-O 3.39Å; A437-R445 PolarHBondContact O-N 3.03Å; K443-R445 PolarHBondContact O-NH1 2.98Å
446	G	97.4	Very high	96.3	Very high	10 Å²	10	66.4 Å²	66.4	10%	0.103	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-71.7	171	177	0	0	0	0	0	113.3	E393 Y421 S450	E393-G446 PolarHBondContact OE1-N 3.33Å; Y421-G446 VanDerWaalsContact CE2-O 3.27Å; Y421-G446 WeakPolarHBondContact CE2-O 3.46Å; Y421-G446 PolarHBondContact OH-O 3.05Å; G446-S450 VanDerWaalsContact CA-OG 3.28Å; G446-S450 WeakPolarHBondContact CA-OG 3.42Å
447	P	98	Very high	96.4	Very high	42 Å²	42	65.4 Å²	65.4	27%	0.273	34%	0.344	S	S	.	.	S	Bend	trans	-63.7	171.9	175.7	25.8	-31.3	0	0	0	112.5	L434 A449 S450	L434-P447 HydrophobicContact CB-CB 4.16Å; L434-P447 WeakPolarHBondContact O-CB 3.28Å; P447-A449 PolarHBondContact O-N 3.48Å; P447-S450 VanDerWaalsContact O-CB 3.29Å; P447-S450 WeakPolarHBondContact O-CB 3.36Å; P447-S450 PolarHBondContact O-N 3.38Å; P447-S450 VanDerWaalsContact O-N 3.12Å; P447-S450 PolarHBondContact O-OG 3.08Å
448	P	98.3	Very high	96.5	Very high	33 Å²	33	68.7 Å²	68.7	21%	0.214	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	134	-179.4	-27.3	33.9	0	0	0	113.5	I392 M397 P419 L434 S450	I392-P448 HydrophobicContact CG2-CB 3.71Å; I392-P448 HydrophobicContact CG2-CG 3.62Å; I392-P448 WeakPolarHBondContact O-CA 3.26Å; M397-P448 HydrophobicContact CG-CB 3.93Å; M397-P448 HydrophobicContact CG-CG 3.89Å; M397-P448 HydrophobicContact SD-CB 4.21Å; M397-P448 HydrophobicContact SD-CG 3.66Å; P419-P448 HydrophobicContact CG-CG 4.02Å; L434-P448 HydrophobicContact CD1-CG 4.03Å; P448-S450 PolarHBondContact O-N 2.82Å; P448-S450 VanDerWaalsContact O-N 3.16Å
449	A	97.9	Very high	96.5	Very high	63 Å²	63	66.8 Å²	66.8	52%	0.521	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.8	17.5	-179.2	0	0	0	0	0	115.8	I392 E393 P447	I392-A449 PolarHBondContact O-N 3.13Å; E393-A449 CarbonylContact O-C 3.39Å; E393-A449 VanDerWaalsContact O-C 3.26Å; E393-A449 WeakPolarHBondContact O-CA 3.37Å; E393-A449 PolarHBondContact O-N 3.2Å; P447-A449 PolarHBondContact O-N 3.48Å
450	S	98.1	Very high	96.5	Very high	64 Å²	64	69.4 Å²	69.4	45%	0.448	37%	0.367	S	S	.	.			trans	-76	-21.4	178.8	68.8	0	0	0	0	113.9	E393 G446 P447 P448	E393-S450 PolarHBondContact O-N 3.05Å; E393-S450 VanDerWaalsContact O-N 3.07Å; G446-S450 VanDerWaalsContact CA-OG 3.28Å; G446-S450 WeakPolarHBondContact CA-OG 3.42Å; P447-S450 VanDerWaalsContact O-CB 3.29Å; P447-S450 WeakPolarHBondContact O-CB 3.36Å; P447-S450 PolarHBondContact O-N 3.38Å; P447-S450 VanDerWaalsContact O-N 3.12Å; P447-S450 PolarHBondContact O-OG 3.08Å; P448-S450 PolarHBondContact O-N 2.82Å; P448-S450 VanDerWaalsContact O-N 3.16Å
451	R	97.6	Very high	96.4	Very high	59 Å²	59	62.2 Å²	62.2	22%	0.223	34%	0.343	C	S	.	.	S	Bend	trans	-91.7	113.3	177.7	-177.4	178.9	-177.6	-158.9	-1.6	109.7	L378 E393 L394 A456	L378-R451 PolarHBondContact O-NH1 2.92Å; E393-R451 HydrophobicContact CG-CB 3.77Å; E393-R451 PolarHBondContact O-N 2.86Å; L394-R451 HydrophobicContact CD1-CG 4.44Å; R451-A456 HydrophobicContact CG-CB 4.42Å
452	S	97.8	Very high	96.4	Very high	49 Å²	49	54.6 Å²	54.6	34%	0.343	32%	0.317	S	S	.	.			trans	-71.2	153.8	177.5	71.6	0	0	0	0	112.3	S454 T455 A456	S452-S454 VanDerWaalsContact C-N 3.28Å; S452-S454 PolarHBondContact O-N 2.9Å; S452-S454 PolarHBondContact OG-OG 3.33Å; S452-T455 PolarHBondContact O-N 2.92Å; S452-T455 WeakPolarHBondContact OG-CB 3.36Å; S452-T455 PolarHBondContact OG-N 3Å; S452-T455 PolarHBondContact OG-OG1 3.41Å; S452-T455 VanDerWaalsContact OG-OG1 3.04Å; S452-A456 WeakPolarHBondContact O-CB 3.34Å; S452-A456 PolarHBondContact O-N 3.19Å
453	W	97.9	Very high	96.5	Very high	35 Å²	35	61.2 Å²	61.2	13%	0.133	34%	0.34	C	S	.	.	H	α-helix	trans	-62	-35	173.4	-75.2	92.3	0	0	0	113	L394 L395 A456 L457 V466 L469 K470 L473	L394-W453 HydrophobicContact CD1-CD2 4.3Å; L394-W453 HydrophobicContact CD2-CH2 4.17Å; L394-W453 HydrophobicContact CD2-CZ2 4.48Å; L394-W453 HydrophobicContact CD2-CZ3 4.32Å; L394-W453 HydrophobicContact CG-CZ2 4.39Å; L395-W453 HydrophobicContact CD2-CH2 4.02Å; L395-W453 HydrophobicContact CD2-CZ2 3.44Å; L395-W453 VanDerWaalsContact CD2-CZ2 3.44Å; W453-A456 PolarHBondContact O-N 2.98Å; W453-L457 HydrophobicContact CE3-CD1 4.27Å; W453-L457 WeakPolarHBondContact O-CB 3.41Å; W453-L457 WeakPolarHBondContact O-CG 3.36Å; W453-L457 PolarHBondContact O-N 3.06Å; W453-V466 HydrophobicContact CB-CG1 4.05Å; W453-V466 HydrophobicContact CD2-CG1 4.19Å; W453-V466 HydrophobicContact CG-CG1 3.98Å; W453-L469 HydrophobicContact CH2-CB 4.3Å; W453-L469 HydrophobicContact CZ3-CB 3.95Å; W453-L469 HydrophobicContact CZ3-CD1 4.17Å; W453-K470 HydrophobicContact CD2-CG 4.41Å; W453-K470 HydrophobicContact CH2-CG 4.18Å; W453-K470 HydrophobicContact CZ2-CB 4.49Å; W453-K470 HydrophobicContact CZ2-CG 3.5Å; W453-K470 VanDerWaalsContact CZ2-CG 3.5Å; W453-L473 HydrophobicContact CH2-CD1 3.77Å; W453-L473 HydrophobicContact CZ3-CD1 4.27Å
454	S	96.9	Very high	96.6	Very high	61 Å²	61	57.8 Å²	57.8	43%	0.427	33%	0.326	S	S	.	.	H	α-helix	trans	-62.4	-47.3	177.2	54.6	0	0	0	0	111	S452 L457 K458 N459	S452-S454 VanDerWaalsContact C-N 3.28Å; S452-S454 PolarHBondContact O-N 2.9Å; S452-S454 PolarHBondContact OG-OG 3.33Å; S454-L457 CarbonylContact O-C 3.58Å; S454-L457 PolarHBondContact O-N 3.26Å; S454-K458 PolarHBondContact O-N 3.43Å; S454-N459 WeakPolarHBondContact CB-OD1 3.35Å; S454-N459 PolarHBondContact O-N 3.31Å
455	T	96.9	Very high	96.7	Very high	95 Å²	95	52.9 Å²	52.9	58%	0.583	30%	0.302	S	S	*	.	H	α-helix	trans	-65.5	-43	173.7	-59.2	0	0	0	0	111.7	S452 L457 K458	S452-T455 PolarHBondContact O-N 2.92Å; S452-T455 WeakPolarHBondContact OG-CB 3.36Å; S452-T455 PolarHBondContact OG-N 3Å; S452-T455 PolarHBondContact OG-OG1 3.41Å; S452-T455 VanDerWaalsContact OG-OG1 3.04Å; T455-L457 PolarHBondContact O-N 3.08Å; T455-K458 PolarHBondContact O-N 3.21Å
456	A	97.5	Very high	96.8	Very high	6 Å²	6	53.4 Å²	53.4	5%	0.05	31%	0.307	C	S	.	.	H	α-helix	trans	-61.3	-34.3	179.8	0	0	0	0	0	113	L378 L394 R451 S452 W453	L378-A456 HydrophobicContact CD1-CB 3.96Å; L394-A456 HydrophobicContact CD1-CB 3.81Å; R451-A456 HydrophobicContact CG-CB 4.42Å; S452-A456 WeakPolarHBondContact O-CB 3.34Å; S452-A456 PolarHBondContact O-N 3.19Å; W453-A456 PolarHBondContact O-N 2.98Å
457	L	97.9	Very high	96.9	Very high	2 Å²	2	55.3 Å²	55.3	1%	0.01	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	12.8	-179.4	-58.9	177.3	0	0	0	113.8	A370 T374 L378 W453 S454 T455 N459 M460 F465 V466 L469	A370-L457 HydrophobicContact CB-CD2 3.83Å; T374-L457 HydrophobicContact CG2-CB 4.43Å; T374-L457 HydrophobicContact CG2-CD2 4.27Å; L378-L457 HydrophobicContact CD1-CD2 4.45Å; W453-L457 HydrophobicContact CE3-CD1 4.27Å; W453-L457 WeakPolarHBondContact O-CB 3.41Å; W453-L457 WeakPolarHBondContact O-CG 3.36Å; W453-L457 PolarHBondContact O-N 3.06Å; S454-L457 CarbonylContact O-C 3.58Å; S454-L457 PolarHBondContact O-N 3.26Å; T455-L457 PolarHBondContact O-N 3.08Å; L457-N459 PolarHBondContact O-N 2.92Å; L457-N459 VanDerWaalsContact O-N 3.13Å; L457-M460 WeakPolarHBondContact O-CB 3.48Å; L457-M460 PolarHBondContact O-N 3.17Å; L457-F465 HydrophobicContact CD1-CD1 4.24Å; L457-F465 HydrophobicContact CD1-CE1 4.23Å; L457-F465 HydrophobicContact CD2-CE1 4.44Å; L457-V466 HydrophobicContact CD1-CG2 3.77Å; L457-L469 HydrophobicContact CD1-CD1 3.98Å; L457-L469 HydrophobicContact CD2-CD1 3.86Å
458	K	96.1	Very high	96.9	Very high	99 Å²	99	53.3 Å²	53.3	43%	0.43	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	33.9	-178.3	-55.5	179.2	179.3	175.5	0	114	T374 S454 T455 M460	T374-K458 PolarHBondContact O-NZ 2.88Å; S454-K458 PolarHBondContact O-N 3.43Å; T455-K458 PolarHBondContact O-N 3.21Å; K458-M460 HydrophobicContact CB-CG 4.17Å; K458-M460 HydrophobicContact CB-SD 4.24Å; K458-M460 WeakPolarHBondContact O-CG 3.41Å; K458-M460 PolarHBondContact O-N 3.45Å
459	N	94.2	Very high	96.9	Very high	133 Å²	133	51.8 Å²	51.8	71%	0.711	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	19.6	-174.4	-53	-52.8	0	0	0	114.9	S454 L457	S454-N459 WeakPolarHBondContact CB-OD1 3.35Å; S454-N459 PolarHBondContact O-N 3.31Å; L457-N459 PolarHBondContact O-N 2.92Å; L457-N459 VanDerWaalsContact O-N 3.13Å
460	M	94.2	Very high	97	Very high	71 Å²	71	53.7 Å²	53.7	35%	0.35	29%	0.288	S	S	.	.			trans	-92.4	-11.3	-176.8	-58.4	178.1	69.9	0	0	113.8	L373 L457 K458	L373-M460 HydrophobicContact CD1-CB 3.99Å; L373-M460 HydrophobicContact CD1-CE 4.4Å; L373-M460 HydrophobicContact CD2-CB 4.01Å; L373-M460 HydrophobicContact CG-CB 3.88Å; L373-M460 WeakPolarHBondContact O-CE 3.33Å; L457-M460 WeakPolarHBondContact O-CB 3.48Å; L457-M460 PolarHBondContact O-N 3.17Å; K458-M460 HydrophobicContact CB-CG 4.17Å; K458-M460 HydrophobicContact CB-SD 4.24Å; K458-M460 WeakPolarHBondContact O-CG 3.41Å; K458-M460 PolarHBondContact O-N 3.45Å
461	G	90.6	Very high	97	Very high	25 Å²	25	56.4 Å²	56.4	26%	0.258	29%	0.288	S	S	.	.			trans	-93.2	132.4	-176.5	0	0	0	0	0	112.8
462	D	94.6	Very high	97.1	Very high	42 Å²	42	53.6 Å²	53.6	23%	0.225	28%	0.278	C	S	.	.			trans	-78	164.7	168.3	75.5	1.2	0	0	0	111.4	L279 L464 F465 V466 R494	L279-D462 HydrophobicContact CD1-CB 4.13Å; D462-L464 VanDerWaalsContact C-N 3.25Å; D462-L464 PolarHBondContact O-N 3.22Å; D462-L464 PolarHBondContact OD1-N 3.06Å; D462-F465 PolarHBondContact O-N 3.18Å; D462-F465 VanDerWaalsContact O-N 3.12Å; D462-F465 WeakPolarHBondContact OD1-CB 3.32Å; D462-F465 PolarHBondContact OD1-N 3.36Å; D462-V466 WeakPolarHBondContact O-CG2 3.41Å; D462-V466 PolarHBondContact O-N 2.97Å; D462-R494 IonicContact OD2-NH1 3.7Å; D462-R494 PolarHBondContact OD2-NH1 3.33Å
463	E	96.8	Very high	97.1	Very high	171 Å²	171	51.4 Å²	51.4	80%	0.799	26%	0.262	S	S	*	.	H	α-helix	trans	-55.7	-40.6	-177.2	-171.6	-172.6	170.1	0	0	112.4	V466 D467	E463-V466 PolarHBondContact O-N 3.37Å; E463-D467 WeakPolarHBondContact O-CB 3.47Å; E463-D467 PolarHBondContact O-N 3.32Å
464	L	97.5	Very high	97.1	Very high	37 Å²	37	52.2 Å²	52.2	19%	0.194	27%	0.269	C	S	.	.	H	α-helix	trans	-69.1	-35.8	-179.8	-65.3	-178.6	0	0	0	112.4	D462 F468 H489 K490 W491	D462-L464 VanDerWaalsContact C-N 3.25Å; D462-L464 PolarHBondContact O-N 3.22Å; D462-L464 PolarHBondContact OD1-N 3.06Å; L464-F468 WeakPolarHBondContact O-CB 3.47Å; L464-F468 PolarHBondContact O-N 3.02Å; L464-H489 PolarHBondContact O-CE1 3.41Å; L464-K490 HydrophobicContact CD1-CB 4.4Å; L464-K490 HydrophobicContact CD2-CB 4.08Å; L464-W491 HydrophobicContact CB-CB 3.93Å; L464-W491 HydrophobicContact CB-CG 4.44Å
465	F	98.3	Very high	97.1	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-69	-41.9	174.2	-178.9	-113.9	0	0	0	111.2	L279 V282 L369 L373 L457 D462 F468 L469 W491	L279-F465 HydrophobicContact CD2-CB 4.12Å; L279-F465 HydrophobicContact CD2-CD1 4Å; L279-F465 HydrophobicContact CD2-CD2 4.26Å; L279-F465 HydrophobicContact CD2-CE1 4.49Å; L279-F465 HydrophobicContact CD2-CG 3.85Å; V282-F465 HydrophobicContact CG1-CE2 4.08Å; V282-F465 HydrophobicContact CG1-CZ 4.3Å; L369-F465 HydrophobicContact CB-CE2 4.07Å; L369-F465 HydrophobicContact CB-CZ 4.08Å; L373-F465 HydrophobicContact CB-CE1 4.33Å; L373-F465 HydrophobicContact CB-CZ 4.4Å; L373-F465 HydrophobicContact CD2-CD1 3.72Å; L373-F465 HydrophobicContact CD2-CE1 3.29Å; L373-F465 HydrophobicContact CD2-CZ 4.11Å; L373-F465 HydrophobicContact CG-CE1 4.42Å; L457-F465 HydrophobicContact CD1-CD1 4.24Å; L457-F465 HydrophobicContact CD1-CE1 4.23Å; L457-F465 HydrophobicContact CD2-CE1 4.44Å; D462-F465 PolarHBondContact O-N 3.18Å; D462-F465 VanDerWaalsContact O-N 3.12Å; D462-F465 WeakPolarHBondContact OD1-CB 3.32Å; D462-F465 PolarHBondContact OD1-N 3.36Å; F465-F468 WeakPolarHBondContact O-CB 3.34Å; F465-F468 PolarHBondContact O-N 2.67Å; F465-L469 HydrophobicContact CD1-CD1 4Å; F465-L469 HydrophobicContact CD1-CG 4.3Å; F465-L469 HydrophobicContact CD2-CG 4.44Å; F465-L469 HydrophobicContact CE1-CD1 3.36Å; F465-L469 HydrophobicContact CE1-CD2 4.45Å; F465-L469 HydrophobicContact CE1-CG 3.87Å; F465-L469 HydrophobicContact CE2-CD1 4.41Å; F465-L469 HydrophobicContact CE2-CD2 4.09Å; F465-L469 HydrophobicContact CE2-CG 4.08Å; F465-L469 HydrophobicContact CZ-CD1 3.63Å; F465-L469 HydrophobicContact CZ-CD2 3.89Å; F465-L469 HydrophobicContact CZ-CG 3.79Å; F465-L469 WeakPolarHBondContact O-CG 3.33Å; F465-L469 PolarHBondContact O-N 3.32Å; F465-W491 HydrophobicContact CB-CG 4.48Å; F465-W491 AromaticContact CD2-CD2 3.96Å; F465-W491 HydrophobicContact CD2-CD2 3.96Å; F465-W491 AromaticContact CD2-CE2 3.38Å; F465-W491 HydrophobicContact CD2-CE3 4.32Å; F465-W491 AromaticContact CD2-CH2 3.69Å; F465-W491 HydrophobicContact CD2-CH2 3.69Å; F465-W491 AromaticContact CD2-CZ2 3.26Å; F465-W491 HydrophobicContact CD2-CZ2 3.26Å; F465-W491 HydrophobicContact CD2-CZ3 4.19Å; F465-W491 AromaticContact CD2-NE1 3.73Å; F465-W491 AromaticContact CE2-CH2 3.66Å; F465-W491 HydrophobicContact CE2-CH2 3.66Å; F465-W491 AromaticContact CE2-CZ2 3.59Å; F465-W491 HydrophobicContact CE2-CZ2 3.59Å; F465-W491 HydrophobicContact CE2-CZ3 4.32Å; F465-W491 HydrophobicContact CG-CZ2 4.32Å
466	V	98.5	Very high	97.1	Very high	25 Å²	25	47 Å²	47	15%	0.152	23%	0.231	C	C	.	.	H	α-helix	trans	-62.4	-43.2	175.4	175.6	0	0	0	0	110.8	W453 L457 D462 E463 L469 K470	W453-V466 HydrophobicContact CB-CG1 4.05Å; W453-V466 HydrophobicContact CD2-CG1 4.19Å; W453-V466 HydrophobicContact CG-CG1 3.98Å; L457-V466 HydrophobicContact CD1-CG2 3.77Å; D462-V466 WeakPolarHBondContact O-CG2 3.41Å; D462-V466 PolarHBondContact O-N 2.97Å; E463-V466 PolarHBondContact O-N 3.37Å; V466-L469 PolarHBondContact O-N 2.62Å; V466-K470 HydrophobicContact CG1-CD 4.15Å; V466-K470 HydrophobicContact CG1-CG 4.44Å; V466-K470 WeakPolarHBondContact O-CB 3.48Å; V466-K470 WeakPolarHBondContact O-CG 3.33Å; V466-K470 PolarHBondContact O-N 3.17Å
467	D	98.6	Very high	97.1	Very high	50 Å²	50	48.2 Å²	48.2	27%	0.267	24%	0.239	S	C	.	.	H	α-helix	trans	-58.9	-46.2	172.6	-178.3	41.1	0	0	0	111.3	E463 L469 K470 R471 H489	E463-D467 WeakPolarHBondContact O-CB 3.47Å; E463-D467 PolarHBondContact O-N 3.32Å; D467-L469 PolarHBondContact O-N 2.87Å; D467-K470 PolarHBondContact O-N 3.16Å; D467-R471 VanDerWaalsContact O-CG 3.31Å; D467-R471 WeakPolarHBondContact O-CG 3.2Å; D467-R471 PolarHBondContact O-N 3.34Å; D467-R471 IonicContact OD1-CZ 3.65Å; D467-R471 IonicContact OD1-NE 2.83Å; D467-R471 PolarHBondContact OD1-NE 3.48Å; D467-R471 IonicContact OD1-NH2 3.78Å; D467-R471 PolarHBondContact OD1-NH2 3.21Å; D467-R471 IonicContact OD2-CZ 2.71Å; D467-R471 IonicContact OD2-NE 3.09Å; D467-R471 PolarHBondContact OD2-NE 3.32Å; D467-R471 IonicContact OD2-NH2 3.26Å; D467-R471 PolarHBondContact OD2-NH2 3.44Å; D467-H489 IonicContact OD2-CE1 3.33Å; D467-H489 PolarHBondContact OD2-CE1 3.43Å; D467-H489 IonicContact OD2-NE2 3.7Å; D467-H489 PolarHBondContact OD2-NE2 2.81Å
468	F	98.8	Very high	97	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-58.3	-47	176.6	-172.8	-83.8	0	0	0	112	L290 L369 L464 F465 R471 C472 M481 A486 H489 W491 L492	L290-F468 HydrophobicContact CD1-CZ 4.13Å; L369-F468 HydrophobicContact CD1-CD1 4.13Å; L369-F468 HydrophobicContact CD1-CE1 3.58Å; L369-F468 HydrophobicContact CD1-CZ 4.49Å; L464-F468 WeakPolarHBondContact O-CB 3.47Å; L464-F468 PolarHBondContact O-N 3.02Å; F465-F468 WeakPolarHBondContact O-CB 3.34Å; F465-F468 PolarHBondContact O-N 2.67Å; F468-R471 PolarHBondContact O-N 3.07Å; F468-C472 VanDerWaalsContact CE1-SG 3.51Å; F468-C472 PolarHBondContact O-N 2.9Å; F468-C472 PolarHBondContact O-SG 3.17Å; F468-M481 HydrophobicContact CD1-CE 4.16Å; F468-M481 HydrophobicContact CD2-CE 3.63Å; F468-M481 HydrophobicContact CD2-SD 4.45Å; F468-M481 HydrophobicContact CE1-CE 4.05Å; F468-M481 HydrophobicContact CE2-CE 3.54Å; F468-M481 HydrophobicContact CE2-SD 4.38Å; F468-M481 HydrophobicContact CG-CE 3.96Å; F468-M481 HydrophobicContact CZ-CE 3.74Å; F468-A486 HydrophobicContact CE2-CB 3.75Å; F468-A486 HydrophobicContact CZ-CB 3.82Å; F468-H489 HydrophobicContact CD2-CB 3.78Å; F468-H489 AromaticContact CD2-CG 3.6Å; F468-H489 AromaticContact CD2-ND1 3.57Å; F468-H489 HydrophobicContact CE2-CB 4.04Å; F468-W491 HydrophobicContact CB-CB 4.31Å; F468-W491 HydrophobicContact CB-CD2 4.41Å; F468-W491 HydrophobicContact CB-CE3 4.03Å; F468-W491 AromaticContact CD1-CE3 3.85Å; F468-W491 HydrophobicContact CD1-CE3 3.85Å; F468-W491 AromaticContact CD1-CZ3 3.84Å; F468-W491 HydrophobicContact CD1-CZ3 3.84Å; F468-W491 AromaticContact CD2-CE3 3.6Å; F468-W491 HydrophobicContact CD2-CE3 3.6Å; F468-W491 HydrophobicContact CD2-CZ3 4.25Å; F468-W491 HydrophobicContact CE1-CE3 4.22Å; F468-W491 AromaticContact CE1-CZ3 3.91Å; F468-W491 HydrophobicContact CE1-CZ3 3.91Å; F468-W491 AromaticContact CE2-CE3 3.96Å; F468-W491 HydrophobicContact CE2-CE3 3.96Å; F468-W491 HydrophobicContact CE2-CZ3 4.29Å; F468-W491 HydrophobicContact CG-CD2 4.38Å; F468-W491 AromaticContact CG-CE3 3.54Å; F468-W491 HydrophobicContact CG-CE3 3.54Å; F468-W491 HydrophobicContact CG-CZ3 4.03Å; F468-W491 HydrophobicContact CZ-CE3 4.27Å; F468-W491 HydrophobicContact CZ-CZ3 4.14Å; F468-L492 HydrophobicContact CE2-CD1 4.12Å; F468-L492 HydrophobicContact CE2-CG 4.23Å
469	L	98.8	Very high	97	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-64.5	-43.9	178.5	-72.6	-171.2	0	0	0	112.4	G366 L369 A370 W453 L457 F465 V466 D467 R471 C472 L473	G366-L469 VanDerWaalsContact O-CD2 3.28Å; G366-L469 WeakPolarHBondContact O-CD2 3.21Å; L369-L469 HydrophobicContact CB-CD2 4.04Å; A370-L469 HydrophobicContact CB-CD1 3.97Å; W453-L469 HydrophobicContact CH2-CB 4.3Å; W453-L469 HydrophobicContact CZ3-CB 3.95Å; W453-L469 HydrophobicContact CZ3-CD1 4.17Å; L457-L469 HydrophobicContact CD1-CD1 3.98Å; L457-L469 HydrophobicContact CD2-CD1 3.86Å; F465-L469 HydrophobicContact CD1-CD1 4Å; F465-L469 HydrophobicContact CD1-CG 4.3Å; F465-L469 HydrophobicContact CD2-CG 4.44Å; F465-L469 HydrophobicContact CE1-CD1 3.36Å; F465-L469 HydrophobicContact CE1-CD2 4.45Å; F465-L469 HydrophobicContact CE1-CG 3.87Å; F465-L469 HydrophobicContact CE2-CD1 4.41Å; F465-L469 HydrophobicContact CE2-CD2 4.09Å; F465-L469 HydrophobicContact CE2-CG 4.08Å; F465-L469 HydrophobicContact CZ-CD1 3.63Å; F465-L469 HydrophobicContact CZ-CD2 3.89Å; F465-L469 HydrophobicContact CZ-CG 3.79Å; F465-L469 WeakPolarHBondContact O-CG 3.33Å; F465-L469 PolarHBondContact O-N 3.32Å; V466-L469 PolarHBondContact O-N 2.62Å; D467-L469 PolarHBondContact O-N 2.87Å; L469-R471 VanDerWaalsContact C-N 3.25Å; L469-R471 PolarHBondContact O-N 3.36Å; L469-C472 PolarHBondContact O-N 2.85Å; L469-C472 VanDerWaalsContact O-N 3.16Å; L469-L473 WeakPolarHBondContact O-CB 3.38Å; L469-L473 WeakPolarHBondContact O-CG 3.45Å; L469-L473 PolarHBondContact O-N 2.91Å
470	K	98.7	Very high	97.2	Very high	104 Å²	104	48.7 Å²	48.7	45%	0.452	24%	0.244	S	C	.	.	H	α-helix	trans	-57.3	-40.3	176.6	-78.4	175.6	173.8	-177.4	0	111.7	W453 V466 D467 L473 D474	W453-K470 HydrophobicContact CD2-CG 4.41Å; W453-K470 HydrophobicContact CH2-CG 4.18Å; W453-K470 HydrophobicContact CZ2-CB 4.49Å; W453-K470 HydrophobicContact CZ2-CG 3.5Å; W453-K470 VanDerWaalsContact CZ2-CG 3.5Å; V466-K470 HydrophobicContact CG1-CD 4.15Å; V466-K470 HydrophobicContact CG1-CG 4.44Å; V466-K470 WeakPolarHBondContact O-CB 3.48Å; V466-K470 WeakPolarHBondContact O-CG 3.33Å; V466-K470 PolarHBondContact O-N 3.17Å; D467-K470 PolarHBondContact O-N 3.16Å; K470-L473 CarbonylContact O-C 3.55Å; K470-L473 PolarHBondContact O-N 3.06Å; K470-D474 PolarHBondContact O-N 3.34Å
471	R	98.8	Very high	97.4	Very high	120 Å²	120	45.8 Å²	45.8	45%	0.453	23%	0.23	S	C	.	.	H	α-helix	trans	-72.5	-31.2	177.5	-67.1	175.8	-168.3	-131.8	9.1	113.8	D467 F468 L469 L473 R480 M481	D467-R471 VanDerWaalsContact O-CG 3.31Å; D467-R471 WeakPolarHBondContact O-CG 3.2Å; D467-R471 PolarHBondContact O-N 3.34Å; D467-R471 IonicContact OD1-CZ 3.65Å; D467-R471 IonicContact OD1-NE 2.83Å; D467-R471 PolarHBondContact OD1-NE 3.48Å; D467-R471 IonicContact OD1-NH2 3.78Å; D467-R471 PolarHBondContact OD1-NH2 3.21Å; D467-R471 IonicContact OD2-CZ 2.71Å; D467-R471 IonicContact OD2-NE 3.09Å; D467-R471 PolarHBondContact OD2-NE 3.32Å; D467-R471 IonicContact OD2-NH2 3.26Å; D467-R471 PolarHBondContact OD2-NH2 3.44Å; F468-R471 PolarHBondContact O-N 3.07Å; L469-R471 VanDerWaalsContact C-N 3.25Å; L469-R471 PolarHBondContact O-N 3.36Å; R471-L473 VanDerWaalsContact C-N 3.35Å; R471-R480 WeakPolarHBondContact O-CG 3.34Å; R471-M481 HydrophobicContact CB-CB 3.84Å; R471-M481 HydrophobicContact CB-CE 3.92Å; R471-M481 HydrophobicContact CB-SD 4.04Å; R471-M481 PolarHBondContact O-N 3.32Å
472	C	98.9	Very high	97.8	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-71	-32.2	170.1	-72.9	0	0	0	0	112.2	F468 L469 R480 M481	F468-C472 VanDerWaalsContact CE1-SG 3.51Å; F468-C472 PolarHBondContact O-N 2.9Å; F468-C472 PolarHBondContact O-SG 3.17Å; L469-C472 PolarHBondContact O-N 2.85Å; L469-C472 VanDerWaalsContact O-N 3.16Å; C472-R480 WeakPolarHBondContact O-CD 3.25Å; C472-R480 WeakPolarHBondContact O-CG 3.41Å; C472-M481 WeakPolarHBondContact SG-CE 3.14Å
473	L	98.8	Very high	98	Very high	3 Å²	3	44.9 Å²	44.9	2%	0.016	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	27.4	-174.6	-60.4	172.9	0	0	0	112	W363 L378 L395 W453 L469 K470 R471	W363-L473 HydrophobicContact CD2-CD2 3.57Å; W363-L473 HydrophobicContact CE3-CB 4.29Å; W363-L473 HydrophobicContact CE3-CD2 3.8Å; W363-L473 HydrophobicContact CG-CD2 4.01Å; W363-L473 HydrophobicContact CH2-CB 4.42Å; W363-L473 HydrophobicContact CH2-CD2 4.25Å; W363-L473 HydrophobicContact CZ2-CD2 4.05Å; W363-L473 HydrophobicContact CZ3-CB 4.06Å; W363-L473 HydrophobicContact CZ3-CD2 4.14Å; W363-L473 WeakPolarHBondContact CZ3-O 3.28Å; L378-L473 HydrophobicContact CD2-CD1 3.6Å; L395-L473 HydrophobicContact CD1-CB 4.31Å; L395-L473 WeakPolarHBondContact CD1-O 3.23Å; W453-L473 HydrophobicContact CH2-CD1 3.77Å; W453-L473 HydrophobicContact CZ3-CD1 4.27Å; L469-L473 WeakPolarHBondContact O-CB 3.38Å; L469-L473 WeakPolarHBondContact O-CG 3.45Å; L469-L473 PolarHBondContact O-N 2.91Å; K470-L473 CarbonylContact O-C 3.55Å; K470-L473 PolarHBondContact O-N 3.06Å; R471-L473 VanDerWaalsContact C-N 3.35Å
474	D	98.3	Very high	98	Very high	53 Å²	53	38.3 Å²	38.3	28%	0.283	20%	0.196	S	C	.	.			trans	-65.1	138.6	172.4	-163.4	-17	0	0	0	110.1	K470 D476 T479 R480	K470-D474 PolarHBondContact O-N 3.34Å; D474-D476 PolarHBondContact OD1-N 3.42Å; D474-T479 VanDerWaalsContact CG-OG1 3.29Å; D474-T479 WeakPolarHBondContact OD2-CB 3.41Å; D474-T479 PolarHBondContact OD2-OG1 3.05Å; D474-R480 HydrophobicContact CB-CB 4.08Å; D474-R480 HydrophobicContact CB-CG 4.28Å; D474-R480 VanDerWaalsContact O-CZ 3.3Å; D474-R480 PolarHBondContact O-NE 2.81Å; D474-R480 PolarHBondContact O-NH2 2.88Å
475	W	97.4	Very high	98.1	Very high	20 Å²	20	41.7 Å²	41.7	8%	0.076	21%	0.211	C	C	.	.	S	Bend	trans	-63.8	-43.5	178.1	-82.6	107.1	0	0	0	111.8	P348 L352 L388 I391 I392 G396 P398 P399 P477	P348-W475 HydrophobicContact CB-CE3 3.62Å; P348-W475 HydrophobicContact CB-CH2 4.47Å; P348-W475 HydrophobicContact CB-CZ3 3.41Å; P348-W475 VanDerWaalsContact CB-CZ3 3.41Å; P348-W475 HydrophobicContact CG-CE3 3.82Å; P348-W475 HydrophobicContact CG-CZ3 4.1Å; L352-W475 HydrophobicContact CD1-CZ3 4.33Å; L388-W475 HydrophobicContact CD1-CH2 3.75Å; L388-W475 HydrophobicContact CD1-CZ3 3.94Å; I391-W475 HydrophobicContact CB-CH2 4.27Å; I391-W475 HydrophobicContact CG2-CH2 3.42Å; I391-W475 VanDerWaalsContact CG2-CH2 3.42Å; I391-W475 HydrophobicContact CG2-CZ2 3.45Å; I391-W475 VanDerWaalsContact CG2-CZ2 3.45Å; I391-W475 HydrophobicContact CG2-CZ3 4.06Å; I392-W475 HydrophobicContact CG1-CH2 3.87Å; I392-W475 HydrophobicContact CG1-CZ2 3.93Å; G396-W475 VanDerWaalsContact O-CZ2 3.29Å; G396-W475 WeakPolarHBondContact O-CZ2 3.45Å; G396-W475 PolarHBondContact O-NE1 3.34Å; P398-W475 HydrophobicContact CB-CD2 3.95Å; P398-W475 HydrophobicContact CB-CE3 3.71Å; P398-W475 HydrophobicContact CB-CH2 4.01Å; P398-W475 HydrophobicContact CB-CZ2 4.24Å; P398-W475 HydrophobicContact CB-CZ3 3.74Å; P398-W475 HydrophobicContact CG-CH2 4.21Å; P398-W475 HydrophobicContact CG-CZ3 4.29Å; P399-W475 HydrophobicContact CG-CB 4.14Å; W475-P477 VanDerWaalsContact O-CD 3.32Å; W475-P477 WeakPolarHBondContact O-CD 3.47Å
476	D	96.3	Very high	98.1	Very high	25 Å²	25	41.7 Å²	41.7	13%	0.134	21%	0.211	C	C	.	.	S	Bend	trans	-83.2	113.8	-179.4	-171.5	-14.1	0	0	0	109.3	K401 D474 E478 T479 R480	K401-D476 IonicContact NZ-OD2 2.71Å; K401-D476 PolarHBondContact NZ-OD2 3.02Å; D474-D476 PolarHBondContact OD1-N 3.42Å; D476-E478 PolarHBondContact O-N 2.95Å; D476-E478 VanDerWaalsContact O-N 3.17Å; D476-E478 WeakPolarHBondContact OD1-CB 3.38Å; D476-E478 PolarHBondContact OD1-N 3.36Å; D476-T479 PolarHBondContact O-N 2.87Å; D476-T479 PolarHBondContact O-OG1 3.12Å; D476-R480 PolarHBondContact O-N 3.24Å
477	P	96.9	Very high	98	Very high	32 Å²	32	42.4 Å²	42.4	21%	0.208	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-19.7	178.3	26.8	-35.2	0	0	0	113.2	P359 W475	P359-P477 HydrophobicContact CB-CB 3.81Å; P359-P477 HydrophobicContact CG-CB 4.12Å; P359-P477 VanDerWaalsContact CG-O 3.29Å; P359-P477 WeakPolarHBondContact CG-O 3.35Å; W475-P477 VanDerWaalsContact O-CD 3.32Å; W475-P477 WeakPolarHBondContact O-CD 3.47Å
478	E	95.4	Very high	98	Very high	155 Å²	155	47.4 Å²	47.4	72%	0.724	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-31.5	177	-60.8	-177.7	155.9	0	0	112.4	K401 D476	K401-E478 IonicContact NZ-OE2 3.65Å; K401-E478 PolarHBondContact NZ-OE2 2.89Å; D476-E478 PolarHBondContact O-N 2.95Å; D476-E478 VanDerWaalsContact O-N 3.17Å; D476-E478 WeakPolarHBondContact OD1-CB 3.38Å; D476-E478 PolarHBondContact OD1-N 3.36Å
479	T	96.6	Very high	97.9	Very high	85 Å²	85	48 Å²	48	52%	0.521	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-16.3	178.4	58.8	0	0	0	0	112.9	D474 D476 M481	D474-T479 VanDerWaalsContact CG-OG1 3.29Å; D474-T479 WeakPolarHBondContact OD2-CB 3.41Å; D474-T479 PolarHBondContact OD2-OG1 3.05Å; D476-T479 PolarHBondContact O-N 2.87Å; D476-T479 PolarHBondContact O-OG1 3.12Å; T479-M481 PolarHBondContact O-N 3.2Å
480	R	98.4	Very high	97.8	Very high	5 Å²	5	55.5 Å²	55.5	2%	0.019	27%	0.268	C	S	.	.	S	Bend	trans	-55	134.3	176	-167.5	-179.6	-64.6	148.8	8.8	111.1	E349 P359 R471 C472 D474 D476 T482	E349-R480 IonicContact OE1-CZ 3.45Å; E349-R480 IonicContact OE1-NH1 2.94Å; E349-R480 PolarHBondContact OE1-NH1 3.5Å; E349-R480 IonicContact OE1-NH2 3.4Å; E349-R480 PolarHBondContact OE1-NH2 3.45Å; E349-R480 IonicContact OE2-CZ 3.2Å; E349-R480 IonicContact OE2-NH1 3.02Å; E349-R480 PolarHBondContact OE2-NH1 3.21Å; E349-R480 IonicContact OE2-NH2 2.93Å; E349-R480 PolarHBondContact OE2-NH2 3.41Å; P359-R480 WeakPolarHBondContact O-CD 3.43Å; P359-R480 PolarHBondContact O-NH1 2.66Å; R471-R480 WeakPolarHBondContact O-CG 3.34Å; C472-R480 WeakPolarHBondContact O-CD 3.25Å; C472-R480 WeakPolarHBondContact O-CG 3.41Å; D474-R480 HydrophobicContact CB-CB 4.08Å; D474-R480 HydrophobicContact CB-CG 4.28Å; D474-R480 VanDerWaalsContact O-CZ 3.3Å; D474-R480 PolarHBondContact O-NE 2.81Å; D474-R480 PolarHBondContact O-NH2 2.88Å; D476-R480 PolarHBondContact O-N 3.24Å; R480-T482 PolarHBondContact O-N 2.93Å
481	M	98.7	Very high	97.7	Very high	10 Å²	10	50.5 Å²	50.5	5%	0.049	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-59.2	128.7	-175.5	177.4	171.2	64.4	0	0	112	M362 F468 R471 C472 T479 Q485 A486	M362-M481 HydrophobicContact CE-CE 4.43Å; M362-M481 WeakPolarHBondContact CE-O 3.42Å; M362-M481 VanDerWaalsContact CG-O 3.3Å; M362-M481 WeakPolarHBondContact CG-O 3.27Å; F468-M481 HydrophobicContact CD1-CE 4.16Å; F468-M481 HydrophobicContact CD2-CE 3.63Å; F468-M481 HydrophobicContact CD2-SD 4.45Å; F468-M481 HydrophobicContact CE1-CE 4.05Å; F468-M481 HydrophobicContact CE2-CE 3.54Å; F468-M481 HydrophobicContact CE2-SD 4.38Å; F468-M481 HydrophobicContact CG-CE 3.96Å; F468-M481 HydrophobicContact CZ-CE 3.74Å; R471-M481 HydrophobicContact CB-CB 3.84Å; R471-M481 HydrophobicContact CB-CE 3.92Å; R471-M481 HydrophobicContact CB-SD 4.04Å; R471-M481 PolarHBondContact O-N 3.32Å; C472-M481 WeakPolarHBondContact SG-CE 3.14Å; T479-M481 PolarHBondContact O-N 3.2Å; M481-Q485 HydrophobicContact CG-CB 3.82Å; M481-A486 HydrophobicContact CE-CB 3.85Å; M481-A486 HydrophobicContact CG-CB 3.99Å; M481-A486 VanDerWaalsContact SD-CA 3.59Å; M481-A486 HydrophobicContact SD-CB 3.89Å
482	T	98.8	Very high	97.4	Very high	42 Å²	42	45.8 Å²	45.8	26%	0.258	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-78.3	161	174.8	62.2	0	0	0	0	111.7	R480 A484 Q485 A486	R480-T482 PolarHBondContact O-N 2.93Å; T482-A484 VanDerWaalsContact C-N 3.31Å; T482-A484 PolarHBondContact O-N 3.45Å; T482-Q485 PolarHBondContact O-N 3.14Å; T482-Q485 WeakPolarHBondContact OG1-CB 3.21Å; T482-Q485 VanDerWaalsContact OG1-CG 3.25Å; T482-Q485 WeakPolarHBondContact OG1-CG 3.46Å; T482-Q485 PolarHBondContact OG1-N 3.48Å; T482-Q485 PolarHBondContact OG1-OE1 2.98Å; T482-A486 WeakPolarHBondContact O-CB 3.31Å; T482-A486 PolarHBondContact O-N 3.06Å
483	P	98.6	Very high	96.8	Very high	6 Å²	6	54.7 Å²	54.7	4%	0.039	26%	0.264	C	S	.	.	H	α-helix	trans	-55.9	-42.1	175.3	-25.1	35	0	0	0	113.4	L290 L293 D294 Q297 M362 Q485 A486 L487	L290-P483 HydrophobicContact CD2-CB 4.05Å; L293-P483 HydrophobicContact CB-CB 4.05Å; L293-P483 HydrophobicContact CB-CG 3.7Å; D294-P483 HydrophobicContact CB-CB 3.99Å; Q297-P483 HydrophobicContact CB-CG 4.44Å; M362-P483 HydrophobicContact CG-CG 4.23Å; M362-P483 HydrophobicContact SD-CB 4.33Å; M362-P483 HydrophobicContact SD-CG 3.74Å; P483-Q485 PolarHBondContact O-N 3.02Å; P483-A486 WeakPolarHBondContact O-CB 3.47Å; P483-A486 PolarHBondContact O-N 2.98Å; P483-L487 WeakPolarHBondContact O-CG 3.47Å; P483-L487 PolarHBondContact O-N 3.23Å
484	A	98.1	Very high	95.6	Very high	33 Å²	33	61.6 Å²	61.6	27%	0.273	29%	0.29	S	S	.	.	H	α-helix	trans	-63.8	-38.1	178.2	0	0	0	0	0	112.9	T482 K488	T482-A484 VanDerWaalsContact C-N 3.31Å; T482-A484 PolarHBondContact O-N 3.45Å; A484-K488 WeakPolarHBondContact O-CG 3.25Å
485	Q	98.4	Very high	93.5	Very high	107 Å²	107	69 Å²	69	50%	0.5	31%	0.314	S	S	.	.	H	α-helix	trans	-70.3	-41.5	173.1	-72.5	162.9	-28.1	0	0	111.1	M481 T482 P483 L487 K488 H489	M481-Q485 HydrophobicContact CG-CB 3.82Å; T482-Q485 PolarHBondContact O-N 3.14Å; T482-Q485 WeakPolarHBondContact OG1-CB 3.21Å; T482-Q485 VanDerWaalsContact OG1-CG 3.25Å; T482-Q485 WeakPolarHBondContact OG1-CG 3.46Å; T482-Q485 PolarHBondContact OG1-N 3.48Å; T482-Q485 PolarHBondContact OG1-OE1 2.98Å; P483-Q485 PolarHBondContact O-N 3.02Å; Q485-L487 PolarHBondContact O-N 2.9Å; Q485-K488 CarbonylContact O-C 3.56Å; Q485-K488 PolarHBondContact O-N 3.45Å; Q485-H489 PolarHBondContact O-N 3.19Å; Q485-H489 VanDerWaalsContact O-N 3.14Å
486	A	98.4	Very high	91.3	Very high	0 Å²	0	72.6 Å²	72.6	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-59.9	-45.2	178.3	0	0	0	0	0	112	L290 M362 F468 M481 T482 P483 K488 H489 L492	L290-A486 HydrophobicContact CD1-CB 3.84Å; L290-A486 HydrophobicContact CD2-CB 3.57Å; L290-A486 HydrophobicContact CG-CB 4.38Å; M362-A486 HydrophobicContact CE-CB 3.77Å; F468-A486 HydrophobicContact CE2-CB 3.75Å; F468-A486 HydrophobicContact CZ-CB 3.82Å; M481-A486 HydrophobicContact CE-CB 3.85Å; M481-A486 HydrophobicContact CG-CB 3.99Å; M481-A486 VanDerWaalsContact SD-CA 3.59Å; M481-A486 HydrophobicContact SD-CB 3.89Å; T482-A486 WeakPolarHBondContact O-CB 3.31Å; T482-A486 PolarHBondContact O-N 3.06Å; P483-A486 WeakPolarHBondContact O-CB 3.47Å; P483-A486 PolarHBondContact O-N 2.98Å; A486-K488 PolarHBondContact O-N 3.01Å; A486-K488 VanDerWaalsContact O-N 3.15Å; A486-H489 WeakPolarHBondContact O-CB 3.5Å; A486-H489 PolarHBondContact O-N 3.17Å; A486-L492 VanDerWaalsContact O-CD1 3.25Å; A486-L492 WeakPolarHBondContact O-CD1 3.49Å
487	L	97.3	Very high	88.7	Confident	41 Å²	41	76.5 Å²	76.5	22%	0.215	36%	0.36	C	S	.	.	H	α-helix	trans	-57.3	-27.4	174.5	-75	168.6	0	0	0	113.2	Y287 L290 L291 D294 P483 Q485	Y287-L487 HydrophobicContact CD2-CD2 3.76Å; Y287-L487 HydrophobicContact CE2-CD2 3.77Å; L290-L487 HydrophobicContact CB-CD2 3.73Å; L290-L487 HydrophobicContact CB-CG 3.98Å; L290-L487 HydrophobicContact CD1-CD2 4.25Å; L290-L487 HydrophobicContact CD1-CG 4.43Å; L291-L487 HydrophobicContact CD2-CD2 4.41Å; D294-L487 HydrophobicContact CB-CD1 4.18Å; P483-L487 WeakPolarHBondContact O-CG 3.47Å; P483-L487 PolarHBondContact O-N 3.23Å; Q485-L487 PolarHBondContact O-N 2.9Å
488	K	96.8	Very high	86	Confident	155 Å²	155	80.3 Å²	80.3	67%	0.674	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-5.1	177.8	-64.7	174.1	-175.7	177.4	0	113.3	A484 Q485 A486 R493	A484-K488 WeakPolarHBondContact O-CG 3.25Å; Q485-K488 CarbonylContact O-C 3.56Å; Q485-K488 PolarHBondContact O-N 3.45Å; A486-K488 PolarHBondContact O-N 3.01Å; A486-K488 VanDerWaalsContact O-N 3.15Å; K488-R493 WeakPolarHBondContact O-CD 3.18Å
489	H	97.9	Very high	83.2	Confident	11 Å²	11	78.1 Å²	78.1	5%	0.051	38%	0.378	C	S	.	.	S	Bend	trans	-64.2	144.1	-176.4	-165.9	-93	0	0	0	112.2	L464 D467 F468 Q485 A486 W491 L492 R493	L464-H489 PolarHBondContact O-CE1 3.41Å; D467-H489 IonicContact OD2-CE1 3.33Å; D467-H489 PolarHBondContact OD2-CE1 3.43Å; D467-H489 IonicContact OD2-NE2 3.7Å; D467-H489 PolarHBondContact OD2-NE2 2.81Å; F468-H489 HydrophobicContact CD2-CB 3.78Å; F468-H489 AromaticContact CD2-CG 3.6Å; F468-H489 AromaticContact CD2-ND1 3.57Å; F468-H489 HydrophobicContact CE2-CB 4.04Å; Q485-H489 PolarHBondContact O-N 3.19Å; Q485-H489 VanDerWaalsContact O-N 3.14Å; A486-H489 WeakPolarHBondContact O-CB 3.5Å; A486-H489 PolarHBondContact O-N 3.17Å; H489-W491 WeakPolarHBondContact ND1-CB 3.4Å; H489-W491 PolarHBondContact ND1-N 3.47Å; H489-W491 VanDerWaalsContact ND1-N 3.19Å; H489-W491 PolarHBondContact O-N 2.95Å; H489-W491 VanDerWaalsContact O-N 3.17Å; H489-L492 PolarHBondContact O-N 3.15Å; H489-R493 PolarHBondContact O-N 2.77Å
490	K	96.1	Very high	80.7	Confident	158 Å²	158	79.5 Å²	79.5	69%	0.687	39%	0.389	S	S	*	.	H	α-helix	trans	-55.8	-36.7	-177.7	-68.8	-177.8	-179.6	178.2	0	112.8	L464 L492 R493 R494	L464-K490 HydrophobicContact CD1-CB 4.4Å; L464-K490 HydrophobicContact CD2-CB 4.08Å; K490-L492 VanDerWaalsContact C-N 3.32Å; K490-L492 PolarHBondContact O-N 3.4Å; K490-R493 PolarHBondContact O-N 3.15Å; K490-R494 PolarHBondContact O-N 3.37Å; K490-R494 VanDerWaalsContact O-N 3.15Å
491	W	96.5	Very high	78.3	Confident	0 Å²	0	90.7 Å²	90.7	0%	0	43%	0.431	C	S	.	.	H	α-helix	trans	-59.1	-38.9	176.4	179.1	67.1	0	0	0	113.3	V282 R283 A286 L369 L464 F465 F468 H489	V282-W491 HydrophobicContact CG1-CH2 4.19Å; V282-W491 HydrophobicContact CG1-CZ2 4.28Å; R283-W491 HydrophobicContact CB-CH2 4.34Å; R283-W491 HydrophobicContact CB-CZ2 3.94Å; R283-W491 WeakPolarHBondContact CD-O 3.11Å; R283-W491 HydrophobicContact CG-CZ2 4.47Å; R283-W491 PolarHBondContact NE-O 3.39Å; A286-W491 HydrophobicContact CB-CH2 3.65Å; A286-W491 HydrophobicContact CB-CZ3 3.6Å; L369-W491 HydrophobicContact CD1-CH2 4.14Å; L369-W491 HydrophobicContact CD1-CZ3 4.04Å; L464-W491 HydrophobicContact CB-CB 3.93Å; L464-W491 HydrophobicContact CB-CG 4.44Å; F465-W491 HydrophobicContact CB-CG 4.48Å; F465-W491 AromaticContact CD2-CD2 3.96Å; F465-W491 HydrophobicContact CD2-CD2 3.96Å; F465-W491 AromaticContact CD2-CE2 3.38Å; F465-W491 HydrophobicContact CD2-CE3 4.32Å; F465-W491 AromaticContact CD2-CH2 3.69Å; F465-W491 HydrophobicContact CD2-CH2 3.69Å; F465-W491 AromaticContact CD2-CZ2 3.26Å; F465-W491 HydrophobicContact CD2-CZ2 3.26Å; F465-W491 HydrophobicContact CD2-CZ3 4.19Å; F465-W491 AromaticContact CD2-NE1 3.73Å; F465-W491 AromaticContact CE2-CH2 3.66Å; F465-W491 HydrophobicContact CE2-CH2 3.66Å; F465-W491 AromaticContact CE2-CZ2 3.59Å; F465-W491 HydrophobicContact CE2-CZ2 3.59Å; F465-W491 HydrophobicContact CE2-CZ3 4.32Å; F465-W491 HydrophobicContact CG-CZ2 4.32Å; F468-W491 HydrophobicContact CB-CB 4.31Å; F468-W491 HydrophobicContact CB-CD2 4.41Å; F468-W491 HydrophobicContact CB-CE3 4.03Å; F468-W491 AromaticContact CD1-CE3 3.85Å; F468-W491 HydrophobicContact CD1-CE3 3.85Å; F468-W491 AromaticContact CD1-CZ3 3.84Å; F468-W491 HydrophobicContact CD1-CZ3 3.84Å; F468-W491 AromaticContact CD2-CE3 3.6Å; F468-W491 HydrophobicContact CD2-CE3 3.6Å; F468-W491 HydrophobicContact CD2-CZ3 4.25Å; F468-W491 HydrophobicContact CE1-CE3 4.22Å; F468-W491 AromaticContact CE1-CZ3 3.91Å; F468-W491 HydrophobicContact CE1-CZ3 3.91Å; F468-W491 AromaticContact CE2-CE3 3.96Å; F468-W491 HydrophobicContact CE2-CE3 3.96Å; F468-W491 HydrophobicContact CE2-CZ3 4.29Å; F468-W491 HydrophobicContact CG-CD2 4.38Å; F468-W491 AromaticContact CG-CE3 3.54Å; F468-W491 HydrophobicContact CG-CE3 3.54Å; F468-W491 HydrophobicContact CG-CZ3 4.03Å; F468-W491 HydrophobicContact CZ-CE3 4.27Å; F468-W491 HydrophobicContact CZ-CZ3 4.14Å; H489-W491 WeakPolarHBondContact ND1-CB 3.4Å; H489-W491 PolarHBondContact ND1-N 3.47Å; H489-W491 VanDerWaalsContact ND1-N 3.19Å; H489-W491 PolarHBondContact O-N 2.95Å; H489-W491 VanDerWaalsContact O-N 3.17Å
492	L	93.5	Very high	75.7	Confident	21 Å²	21	97.1 Å²	97.1	11%	0.11	47%	0.466	C	S	.	.	H	α-helix	trans	-83.5	-34.5	177	-68.3	-174.3	0	0	0	112.5	R283 A286 L290 F468 A486 H489 K490 R494	R283-L492 HydrophobicContact CG-CD2 3.68Å; A286-L492 HydrophobicContact CB-CD2 4.08Å; L290-L492 HydrophobicContact CD1-CD1 3.26Å; F468-L492 HydrophobicContact CE2-CD1 4.12Å; F468-L492 HydrophobicContact CE2-CG 4.23Å; A486-L492 VanDerWaalsContact O-CD1 3.25Å; A486-L492 WeakPolarHBondContact O-CD1 3.49Å; H489-L492 PolarHBondContact O-N 3.15Å; K490-L492 VanDerWaalsContact C-N 3.32Å; K490-L492 PolarHBondContact O-N 3.4Å; L492-R494 VanDerWaalsContact C-N 3.29Å; L492-R494 PolarHBondContact O-N 3.23Å
493	R	85.9	Confident	73.4	Confident	187 Å²	187	98.8 Å²	98.8	71%	0.706	49%	0.491	S	S	*	.	H	α-helix	trans	-72.6	-15.1	-179.1	-71.2	-169.7	71.9	-178.1	3.3	114.6	K488 H489 K490 R495	K488-R493 WeakPolarHBondContact O-CD 3.18Å; H489-R493 PolarHBondContact O-N 2.77Å; K490-R493 PolarHBondContact O-N 3.15Å; R493-R495 PolarHBondContact O-N 3.32Å
494	R	72.3	Confident	71	Confident	148 Å²	148	106.3 Å²	106.3	56%	0.558	53%	0.53	S	S	*	.	S	Bend	trans	-56.4	105.4	174.1	-118.5	179.5	178.6	165.9	0.3	108.1	D462 K490 L492 L496	D462-R494 IonicContact OD2-NH1 3.7Å; D462-R494 PolarHBondContact OD2-NH1 3.33Å; K490-R494 PolarHBondContact O-N 3.37Å; K490-R494 VanDerWaalsContact O-N 3.15Å; L492-R494 VanDerWaalsContact C-N 3.29Å; L492-R494 PolarHBondContact O-N 3.23Å; R494-L496 PolarHBondContact O-N 2.94Å
495	R	55.4	Low	68.3	Low	209 Å²	209	114 Å²	114	79%	0.789	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-49.2	129.3	-174.5	-70.7	-177	176.5	176	-1.5	109.6	R493	R493-R495 PolarHBondContact O-N 3.32Å
496	L	51.4	Low	65.6	Low	94 Å²	94	114.1 Å²	114.1	49%	0.492	57%	0.573	S	S	.	*	P	Polyproline II helix	trans	-53.8	136.5	153.1	-71.1	164	0	0	0	106.2	M280 R494 N498	M280-L496 HydrophobicContact CE-CD2 3.95Å; R494-L496 PolarHBondContact O-N 2.94Å; L496-N498 PolarHBondContact O-N 2.9Å
497	P	40.8	Very low	62.9	Low	107 Å²	107	123.7 Å²	123.7	70%	0.695	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-49.4	131.5	-178.3	-24.6	31.5	0	0	0	110
498	N	39.8	Very low	59.9	Low	113 Å²	113	125.5 Å²	125.5	60%	0.604	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-61	139.4	167.7	-74.2	-16.7	0	0	0	107.3	L496	L496-N498 PolarHBondContact O-N 2.9Å
499	P	37	Very low	56.8	Low	108 Å²	108	121.8 Å²	121.8	70%	0.701	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-54.7	144.5	165.9	24.3	-30.7	0	0	0	108.6	R501	P499-R501 PolarHBondContact O-N 3.12Å
500	P	44.3	Very low	54.5	Low	115 Å²	115	130 Å²	130	75%	0.747	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-52.8	129.5	177.5	23.1	-32.9	0	0	0	108.4	D502	P500-D502 PolarHBondContact O-N 3.21Å; P500-D502 VanDerWaalsContact O-N 3.12Å
501	R	47.2	Very low	51.7	Low	239 Å²	239	126.4 Å²	126.4	90%	0.902	70%	0.698	S	S	*	*			trans	-66.6	110.9	168.3	-74.4	-176.8	167.1	-170.2	-6.1	105.5	P499 G503	P499-R501 PolarHBondContact O-N 3.12Å; R501-G503 PolarHBondContact O-N 3.13Å; R501-G503 VanDerWaalsContact O-N 3.13Å
502	D	44.8	Very low	48.9	Very low	146 Å²	146	133 Å²	133	78%	0.781	73%	0.733	S	S	*	*			trans	-52.3	121.1	166.9	-74.1	-36.8	0	0	0	107.4	P500 L504	P500-D502 PolarHBondContact O-N 3.21Å; P500-D502 VanDerWaalsContact O-N 3.12Å; D502-L504 PolarHBondContact O-N 3.02Å
503	G	50.9	Low	46.9	Very low	76 Å²	76	139.9 Å²	139.9	78%	0.784	76%	0.764	S	S	*	*			trans	-62.1	106.6	-179.8	0	0	0	0	0	109.3	R501	R501-G503 PolarHBondContact O-N 3.13Å; R501-G503 VanDerWaalsContact O-N 3.13Å
504	L	48.1	Very low	44.4	Very low	164 Å²	164	143.1 Å²	143.1	86%	0.859	79%	0.788	S	S	*	*			trans	-127.5	58.5	167.3	-121.5	100.2	0	0	0	109.8	D502	D502-L504 PolarHBondContact O-N 3.02Å
505	E	42.2	Very low	43	Very low	194 Å²	194	142.9 Å²	142.9	91%	0.907	80%	0.799	S	S	*	*			trans	-147	116.2	154.1	-66.6	-176.3	171.7	0	0	102.9
506	S	40.5	Very low	42.4	Very low	111 Å²	111	139.4 Å²	139.4	78%	0.776	80%	0.8	S	S	*	*			cis	-163.6	123.7	40.5	148.4	0	0	0	0	107.7
507	M	41.7	Very low	41.9	Very low	200 Å²	200	141.9 Å²	141.9	99%	0.985	82%	0.817	S	S	*	*			trans	-141.8	113.1	163	-95.9	-102.1	-109.1	0	0	106.8
508	G	34.1	Very low	41.9	Very low	79 Å²	79	144 Å²	144	81%	0.814	82%	0.824	S	S	*	*			trans	117.4	108.8	176.1	0	0	0	0	0	112.2
509	G	32.4	Very low	42.1	Very low	78 Å²	78	145.9 Å²	145.9	80%	0.804	84%	0.838	S	S	*	*			cis	-167.9	152.4	4.2	0	0	0	0	0	110.5
510	L	49.8	Very low	42.4	Very low	183 Å²	183	148.5 Å²	148.5	96%	0.958	85%	0.847	S	S	*	*			trans	-109.5	117.3	160.7	-89.1	158.5	0	0	0	106.2
511	A	37.9	Very low	42.3	Very low	83 Å²	83	150.9 Å²	150.9	69%	0.686	85%	0.854	S	S	*	*			trans	172	122.3	167.4	0	0	0	0	0	104
512	D	37	Very low	41.9	Very low	137 Å²	137	144.1 Å²	144.1	73%	0.733	85%	0.85	S	S	*	*			cis	-156	172	24.4	-75.7	-49.4	0	0	0	109.7
513	H	50.4	Low	41.7	Very low	166 Å²	166	143.9 Å²	143.9	77%	0.769	86%	0.856	S	S	*	*			trans	71.6	112.4	143.6	-78.1	-56.2	0	0	0	117
514	E	34.8	Very low	40.8	Very low	256 Å²	256	150.1 Å²	150.1	100%	1.196	86%	0.862	S	S	*	*			cis	-76.9	0	1.2	-80.2	-173.2	147.5	0	0	115.2

Retrieved 514 of 514 residues in 646.2 ms (Link to these results)

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