A0A096NS43_PAPAN Loading...

Tyrosyl-DNA phosphodiesterase 1

DNA repair enzyme that can remove a variety of covalent adducts from DNA through hydrolysis of a 3'-phosphodiester bond, giving rise to DNA with a free 3' phosphate. Catalyzes the hydrolysis of dead-end complexes between DNA and the topoisomerase I active site tyrosine residue. Hydrolyzes 3'-phosphoglycolates on protruding 3' ends on DNA double-strand breaks due to DNA damage by radiation and free radicals. Acts on blunt-ended double-strand DNA breaks and on single-stranded DNA. Has low 3'exonuclease activity and can remove a single nucleoside from the 3'end of DNA and RNA molecules with 3'hydroxyl groups. Has no exonuclease activity towards DNA or RNA with a 3'phosphate.

AlphaFold DB (G7MYZ5), UniProt , Accession A0A096NS43, Species PAPAN (Papio anubis, Olive baboon), Gene TDP1, Length 603 aa.

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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	31.9	Very low	34.1	Very low	235 Å²	235	149.5 Å²	149.5	100%	1.158	78%	0.783	S	S	*	*				0	140.3	0	-78.2	171.6	154.3	0	0	107.2
2	S	33.8	Very low	33.8	Very low	100 Å²	100	149.7 Å²	149.7	70%	0.699	78%	0.782	S	S	*	*			trans	65.6	115.4	172	-56.4	0	0	0	0	115.2
3	Q	36.7	Very low	33.2	Very low	161 Å²	161	146.5 Å²	146.5	75%	0.752	78%	0.78	S	S	*	*				73	131.9	84.7	-75.9	173	-67.9	0	0	112.5
4	E	39.8	Very low	32.9	Very low	172 Å²	172	142.6 Å²	142.6	80%	0.804	77%	0.77	S	S	*	*			cis	-127.9	179.9	-1.1	-87.6	134.5	174.9	0	0	108.9
5	G	37.7	Very low	32.7	Very low	63 Å²	63	140.2 Å²	140.2	65%	0.649	77%	0.769	S	S	*	*			cis	98	133.1	28.1	0	0	0	0	0	110.6
6	D	37.2	Very low	32.7	Very low	146 Å²	146	140.7 Å²	140.7	78%	0.781	77%	0.77	S	S	*	*			cis	-158.1	150.8	0.2	-116.8	10.7	0	0	0	114
7	Y	34.9	Very low	32.8	Very low	201 Å²	201	142.6 Å²	142.6	79%	0.788	77%	0.773	S	S	*	*			trans	23.3	141.5	148.9	-74.7	-103.4	0	0	0	126.2
8	G	31.2	Very low	32.8	Very low	80 Å²	80	141.6 Å²	141.6	83%	0.825	78%	0.778	S	S	*	*			trans	-167.8	123.7	148.6	0	0	0	0	0	110.7
9	R	31.6	Very low	32.8	Very low	169 Å²	169	143.9 Å²	143.9	64%	0.638	78%	0.783	S	S	*	*			trans	-159.5	157.3	-163.5	-160.3	178	177	-170.5	0.9	114.4
10	W	30.7	Very low	32.7	Very low	185 Å²	185	145.4 Å²	145.4	70%	0.701	78%	0.784	S	S	*	*			trans	80.3	159.3	169.4	-46.4	116.4	0	0	0	116.6
11	T	29.9	Very low	32.7	Very low	133 Å²	133	144.3 Å²	144.3	82%	0.816	77%	0.774	S	S	*	*			cis	-146.3	-167.8	10.3	-25	0	0	0	0	112.7
12	I	30	Very low	32.8	Very low	151 Å²	151	140.4 Å²	140.4	77%	0.774	75%	0.751	S	S	*	*			trans	-126	145.7	-168.2	-64.2	160.9	0	0	0	111.1
13	S	26.1	Very low	32.9	Very low	108 Å²	108	141.6 Å²	141.6	76%	0.755	76%	0.756	S	S	*	*			trans	166.9	147.4	145.3	-99	0	0	0	0	109.8
14	S	29.1	Very low	32.9	Very low	92 Å²	92	142.7 Å²	142.7	64%	0.643	76%	0.758	S	S	*	*			cis	112.9	151.1	11.8	75.8	0	0	0	0	114.2
15	S	29.7	Very low	32.8	Very low	107 Å²	107	140.4 Å²	140.4	75%	0.748	76%	0.758	S	S	*	*			trans	70.4	152.2	176.6	69.8	0	0	0	0	118.5
16	D	32.9	Very low	32.4	Very low	148 Å²	148	143.8 Å²	143.8	79%	0.791	76%	0.761	S	S	*	*			cis	-164.9	171.2	-36.5	-107.9	-45.9	0	0	0	112.3
17	E	35.2	Very low	32.3	Very low	174 Å²	174	145.6 Å²	145.6	81%	0.813	76%	0.762	S	S	*	*			trans	11.1	140.5	163.4	-54.7	-162.4	133.1	0	0	124.2
18	S	32.3	Very low	32.2	Very low	123 Å²	123	142.1 Å²	142.1	86%	0.86	76%	0.764	S	S	*	*				177.6	159.5	115.3	35	0	0	0	0	114.9
19	E	32.6	Very low	32	Very low	187 Å²	187	143.3 Å²	143.3	87%	0.874	76%	0.76	S	S	*	*			trans	-90.9	178.5	177.3	-53.8	-175.7	120.8	0	0	111.7
20	E	31.6	Very low	32	Very low	172 Å²	172	141.8 Å²	141.8	80%	0.804	77%	0.769	S	S	*	*			cis	-136	-160.2	9.8	-51.7	176	83.9	0	0	110
21	E	31.6	Very low	31.8	Very low	123 Å²	123	139 Å²	139	58%	0.575	78%	0.778	S	S	*	*			cis	-150.7	-127.5	-8	-148.2	-53.6	94.8	0	0	108.8
22	K	35.1	Very low	31.7	Very low	154 Å²	154	138.1 Å²	138.1	67%	0.67	78%	0.778	S	S	*	*			trans	-135.7	174.9	179.6	-56	168.5	-168.6	89.1	0	110.4
23	P	34.7	Very low	31.5	Very low	125 Å²	125	139.1 Å²	139.1	81%	0.812	78%	0.783	S	S	*	*				-141.4	171.2	86.1	32.7	-14.6	0	0	0	115.2
24	K	36.6	Very low	31.6	Very low	184 Å²	184	143 Å²	143	80%	0.8	79%	0.79	S	S	*	*			trans	-106.5	143.6	161.3	-72.1	-179.2	173.8	179.1	0	108.9
25	P	37.9	Very low	31.4	Very low	124 Å²	124	142.4 Å²	142.4	81%	0.805	80%	0.798	S	S	*	*				-149.1	171.4	96.4	35.7	-18.3	0	0	0	114.2
26	D	28.9	Very low	31.3	Very low	134 Å²	134	141.9 Å²	141.9	72%	0.717	80%	0.8	S	S	*	*			cis	-157.2	-160.6	-39.6	-151.8	-91.9	0	0	0	108.5
27	K	36.4	Very low	31	Very low	184 Å²	184	139.3 Å²	139.3	80%	0.8	80%	0.799	S	S	*	*			trans	-81.1	153.7	176.2	-69.3	-177.8	176.5	-179.7	0	113.4
28	P	31.8	Very low	30.7	Very low	128 Å²	128	138.7 Å²	138.7	83%	0.831	80%	0.802	S	S	*	*				-131.3	178.4	119.2	37.8	-30.3	0	0	0	113.7
29	S	27.6	Very low	30.4	Very low	104 Å²	104	140.8 Å²	140.8	73%	0.727	80%	0.798	S	S	*	*			trans	-98.1	150.9	-166.9	-56.6	0	0	0	0	115.1
30	T	30.4	Very low	30.2	Very low	137 Å²	137	137.3 Å²	137.3	84%	0.84	79%	0.792	S	S	*	*			trans	39.5	110.4	144.8	56	0	0	0	0	119.7
31	S	26.7	Very low	29.8	Very low	127 Å²	127	140.5 Å²	140.5	89%	0.888	80%	0.796	S	S	*	*			trans	-146.6	152.1	134.6	65.1	0	0	0	0	110.2
32	S	27.7	Very low	29.8	Very low	115 Å²	115	145.2 Å²	145.2	80%	0.804	81%	0.81	S	S	*	*			trans	-109.5	131.6	-174.4	54.2	0	0	0	0	111.3
33	L	25.8	Very low	29.6	Very low	171 Å²	171	144.7 Å²	144.7	90%	0.895	82%	0.82	S	S	*	*			trans	-150.9	155	159.4	-109.5	167.3	0	0	0	110.4
34	Q	28.7	Very low	29.5	Very low	191 Å²	191	141.9 Å²	141.9	89%	0.893	80%	0.803	S	S	*	*			trans	-90.6	124.3	-162.8	-66	154.6	-48.1	0	0	112.3
35	G	25.4	Very low	30.2	Very low	78 Å²	78	135.8 Å²	135.8	80%	0.804	78%	0.783	S	S	*	*			trans	-108.2	108.3	162.4	0	0	0	0	0	109.7	A37	G35-A37 PolarHBondContact O-N 3.26Å
36	A	26.4	Very low	30	Very low	97 Å²	97	136.4 Å²	136.4	80%	0.802	78%	0.775	S	S	*	*			trans	-77.4	115.5	-178.3	0	0	0	0	0	111.1
37	A	27.8	Very low	30.3	Very low	93 Å²	93	133.3 Å²	133.3	77%	0.769	77%	0.769	S	S	*	*			trans	-72.7	125.8	165.8	0	0	0	0	0	109.4	G35 E39	G35-A37 PolarHBondContact O-N 3.26Å; A37-E39 PolarHBondContact O-N 2.96Å; A37-E39 VanDerWaalsContact O-N 3.1Å
38	N	28.5	Very low	30.4	Very low	162 Å²	162	131.8 Å²	131.8	87%	0.866	76%	0.758	S	S	*	*			trans	-77.4	94.5	176	-85	-30.8	0	0	0	110.4
39	E	26.1	Very low	30.9	Very low	167 Å²	167	131 Å²	131	78%	0.78	74%	0.741	S	S	*	*			trans	-62.5	141.5	162.5	-64.9	-176.6	142	0	0	110.6	A37 R41	A37-E39 PolarHBondContact O-N 2.96Å; A37-E39 VanDerWaalsContact O-N 3.1Å; E39-R41 PolarHBondContact O-N 2.98Å
40	P	27.8	Very low	31.4	Very low	114 Å²	114	128 Å²	128	74%	0.74	72%	0.723	S	S	*	*			trans	-62.8	104.2	169.9	-21.2	33.5	0	0	0	110.8	Y42	P40-Y42 WeakPolarHBondContact O-CD2 3.39Å; P40-Y42 PolarHBondContact O-N 2.88Å
41	R	24.9	Very low	31.8	Very low	238 Å²	238	124.5 Å²	124.5	90%	0.898	71%	0.708	S	S	*	*			trans	-69	94.8	175.7	-75.7	-175.6	172.4	179.5	-1.4	110.8	E39 T43	E39-R41 PolarHBondContact O-N 2.98Å; R41-T43 PolarHBondContact O-N 3.41Å
42	Y	29.5	Very low	32.4	Very low	222 Å²	222	124.5 Å²	124.5	87%	0.871	69%	0.693	S	S	*	*			trans	-50	119.1	170.5	-74.1	-90.4	0	0	0	111.4	P40 C44	P40-Y42 WeakPolarHBondContact O-CD2 3.39Å; P40-Y42 PolarHBondContact O-N 2.88Å; Y42-C44 PolarHBondContact O-N 3.25Å; Y42-C44 VanDerWaalsContact O-N 3.12Å
43	T	32.5	Very low	32.8	Very low	143 Å²	143	126.8 Å²	126.8	88%	0.877	69%	0.689	S	S	*	*			trans	-74.7	100.2	178.9	33.2	0	0	0	0	110.6	R41 S45	R41-T43 PolarHBondContact O-N 3.41Å; T43-S45 PolarHBondContact O-N 2.84Å
44	C	32.3	Very low	33.8	Very low	67 Å²	67	128.2 Å²	128.2	45%	0.453	68%	0.682	S	S	.	*			trans	-63.8	123.2	-177.6	-168.2	0	0	0	0	112.2	Y42 R48 K49	Y42-C44 PolarHBondContact O-N 3.25Å; Y42-C44 VanDerWaalsContact O-N 3.12Å; C44-R48 VanDerWaalsContact SG-CB 3.52Å; C44-K49 VanDerWaalsContact O-CE 3.22Å; C44-K49 WeakPolarHBondContact O-CE 3.47Å
45	S	50.1	Low	34.3	Very low	55 Å²	55	126.5 Å²	126.5	39%	0.385	67%	0.672	S	S	.	*			trans	-68.4	156.2	-172.4	64	0	0	0	0	114.2	T43 A47 R48 K49	T43-S45 PolarHBondContact O-N 2.84Å; S45-A47 PolarHBondContact O-N 3.1Å; S45-R48 PolarHBondContact O-N 3.36Å; S45-R48 VanDerWaalsContact O-N 3.11Å; S45-K49 PolarHBondContact O-N 3.26Å
46	E	35.7	Very low	34.6	Very low	138 Å²	138	129.8 Å²	129.8	65%	0.645	67%	0.668	S	S	*	*	H	α-helix	trans	-54.9	-37.7	177.8	-70.8	-69.8	101.7	0	0	112.5	R48 K49 A50	E46-R48 PolarHBondContact O-N 3.46Å; E46-K49 WeakPolarHBondContact O-CB 3.2Å; E46-K49 PolarHBondContact O-N 3.19Å; E46-K49 WeakPolarHBondContact OE1-CD 3.48Å; E46-K49 WeakPolarHBondContact OE1-CE 3.42Å; E46-K49 IonicContact OE1-NZ 2.66Å; E46-K49 PolarHBondContact OE1-NZ 2.99Å; E46-A50 WeakPolarHBondContact O-CB 3.45Å; E46-A50 PolarHBondContact O-N 2.66Å
47	A	33.9	Very low	34.9	Very low	69 Å²	69	129.2 Å²	129.2	57%	0.57	66%	0.658	S	S	*	*	H	α-helix	trans	-60.5	-43.2	177	0	0	0	0	0	112.6	S45 K49 A50 A51	S45-A47 PolarHBondContact O-N 3.1Å; A47-K49 VanDerWaalsContact C-N 3.34Å; A47-K49 PolarHBondContact O-N 3.47Å; A47-A50 PolarHBondContact O-N 2.97Å; A47-A51 PolarHBondContact O-N 2.96Å
48	R	39.3	Very low	35.2	Very low	152 Å²	152	130.5 Å²	130.5	57%	0.574	66%	0.659	S	S	*	*	H	α-helix	trans	-63.9	-38.8	175.4	-70.5	179.4	174.8	-176.3	-1.8	111.5	C44 S45 E46 H52	C44-R48 VanDerWaalsContact SG-CB 3.52Å; S45-R48 PolarHBondContact O-N 3.36Å; S45-R48 VanDerWaalsContact O-N 3.11Å; E46-R48 PolarHBondContact O-N 3.46Å; R48-H52 PolarHBondContact O-N 2.72Å; R48-H52 VanDerWaalsContact O-N 3.16Å
49	K	40.9	Very low	35.3	Very low	110 Å²	110	128.3 Å²	128.3	48%	0.478	65%	0.651	S	S	.	*	H	α-helix	trans	-65.2	-42.3	173.4	-57.4	175.5	-160.3	166.2	0	111.9	C44 S45 E46 A47 H52 K53	C44-K49 VanDerWaalsContact O-CE 3.22Å; C44-K49 WeakPolarHBondContact O-CE 3.47Å; S45-K49 PolarHBondContact O-N 3.26Å; E46-K49 WeakPolarHBondContact O-CB 3.2Å; E46-K49 PolarHBondContact O-N 3.19Å; E46-K49 WeakPolarHBondContact OE1-CD 3.48Å; E46-K49 WeakPolarHBondContact OE1-CE 3.42Å; E46-K49 IonicContact OE1-NZ 2.66Å; E46-K49 PolarHBondContact OE1-NZ 2.99Å; A47-K49 VanDerWaalsContact C-N 3.34Å; A47-K49 PolarHBondContact O-N 3.47Å; K49-H52 PolarHBondContact O-N 2.88Å; K49-K53 WeakPolarHBondContact O-CB 3.43Å; K49-K53 PolarHBondContact O-N 3.17Å
50	A	39.7	Very low	35.6	Very low	43 Å²	43	129.8 Å²	129.8	36%	0.355	66%	0.655	S	S	.	*	H	α-helix	trans	-64.3	-41.8	179.8	0	0	0	0	0	112.2	E46 A47 K53 R54	E46-A50 WeakPolarHBondContact O-CB 3.45Å; E46-A50 PolarHBondContact O-N 2.66Å; A47-A50 PolarHBondContact O-N 2.97Å; A50-K53 PolarHBondContact O-N 2.78Å; A50-R54 WeakPolarHBondContact O-CG 3.22Å; A50-R54 PolarHBondContact O-N 3.44Å; A50-R54 VanDerWaalsContact O-N 3.09Å
51	A	38.3	Very low	35.6	Very low	62 Å²	62	133.5 Å²	133.5	51%	0.512	66%	0.66	S	S	.	*	H	α-helix	trans	-60.2	-47.8	172.5	0	0	0	0	0	111.7	A47 K53 R54 K55	A47-A51 PolarHBondContact O-N 2.96Å; A51-K53 VanDerWaalsContact C-N 3.33Å; A51-K53 PolarHBondContact O-N 3.39Å; A51-R54 PolarHBondContact O-N 3.15Å; A51-K55 PolarHBondContact O-N 2.99Å
52	H	40.2	Very low	35.7	Very low	127 Å²	127	127 Å²	127	59%	0.588	65%	0.651	S	S	*	*	H	α-helix	trans	-61.8	-37	175.4	-104.8	-79.6	0	0	0	113.5	R48 K49 K55	R48-H52 PolarHBondContact O-N 2.72Å; R48-H52 VanDerWaalsContact O-N 3.16Å; K49-H52 PolarHBondContact O-N 2.88Å; H52-K55 WeakPolarHBondContact O-CB 3.45Å; H52-K55 PolarHBondContact O-N 3.31Å
53	K	36.1	Very low	35.6	Very low	163 Å²	163	124.3 Å²	124.3	71%	0.709	65%	0.651	S	S	*	*	H	α-helix	trans	-67.8	-39.8	179.4	-163.3	172.9	-175.6	179.1	0	111.9	K49 A50 A51 K55 M56	K49-K53 WeakPolarHBondContact O-CB 3.43Å; K49-K53 PolarHBondContact O-N 3.17Å; A50-K53 PolarHBondContact O-N 2.78Å; A51-K53 VanDerWaalsContact C-N 3.33Å; A51-K53 PolarHBondContact O-N 3.39Å; K53-K55 VanDerWaalsContact C-N 3.27Å; K53-K55 PolarHBondContact O-N 2.93Å; K53-M56 PolarHBondContact O-N 3.39Å
54	R	45.5	Very low	35.2	Very low	202 Å²	202	123.2 Å²	123.2	76%	0.762	65%	0.645	S	S	*	*	H	α-helix	trans	-63.2	-32	172.6	-70.7	174.2	179.2	162.2	0.4	112.3	A50 A51 M56 S57	A50-R54 WeakPolarHBondContact O-CG 3.22Å; A50-R54 PolarHBondContact O-N 3.44Å; A50-R54 VanDerWaalsContact O-N 3.09Å; A51-R54 PolarHBondContact O-N 3.15Å; R54-M56 PolarHBondContact O-N 3.05Å; R54-S57 PolarHBondContact O-N 2.98Å
55	K	40.1	Very low	34.9	Very low	155 Å²	155	127.7 Å²	127.7	67%	0.674	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.1	-18	178.8	-158.2	168.7	-174.5	168.4	0	114.4	A51 H52 K53	A51-K55 PolarHBondContact O-N 2.99Å; H52-K55 WeakPolarHBondContact O-CB 3.45Å; H52-K55 PolarHBondContact O-N 3.31Å; K53-K55 VanDerWaalsContact C-N 3.27Å; K53-K55 PolarHBondContact O-N 2.93Å
56	M	31.5	Very low	33.7	Very low	146 Å²	146	130.9 Å²	130.9	72%	0.719	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.2	-4.4	-178.2	-64.8	-167	-66.5	0	0	114.8	K53 R54	K53-M56 PolarHBondContact O-N 3.39Å; R54-M56 PolarHBondContact O-N 3.05Å
57	S	33	Very low	33.2	Very low	86 Å²	86	131 Å²	131	60%	0.601	70%	0.696	S	S	*	*			trans	-153.7	83.1	-179.4	-61.1	0	0	0	0	112	R54 V59	R54-S57 PolarHBondContact O-N 2.98Å; S57-V59 PolarHBondContact O-N 2.88Å
58	P	34	Very low	32.9	Very low	119 Å²	119	135.8 Å²	135.8	77%	0.773	71%	0.711	S	S	*	*			trans	-66.9	112.9	172.8	-16.9	31.6	0	0	0	110.3	K60	P58-K60 PolarHBondContact O-N 2.94Å
59	V	30.7	Very low	32.4	Very low	116 Å²	116	134 Å²	134	70%	0.703	72%	0.719	S	S	*	*			trans	-79.1	119.2	176.7	-174.7	0	0	0	0	108.8	S57 F61	S57-V59 PolarHBondContact O-N 2.88Å; V59-F61 HydrophobicContact CG1-CD2 3.77Å; V59-F61 HydrophobicContact CG1-CE2 3.75Å
60	K	32.3	Very low	31.7	Very low	199 Å²	199	135 Å²	135	87%	0.865	74%	0.737	S	S	*	*			trans	-78	132.7	167.2	-67.4	-175.8	177	-175.7	0	109.3	P58	P58-K60 PolarHBondContact O-N 2.94Å
61	F	27.7	Very low	31	Very low	192 Å²	192	142.8 Å²	142.8	84%	0.842	76%	0.763	S	S	*	*			trans	-123.4	155.4	160.6	-98	-83.6	0	0	0	109.5	V59	V59-F61 HydrophobicContact CG1-CD2 3.77Å; V59-F61 HydrophobicContact CG1-CE2 3.75Å
62	S	25.8	Very low	30.5	Very low	101 Å²	101	150.6 Å²	150.6	71%	0.706	78%	0.779	S	S	*	*			trans	-114.3	138.6	-174.4	50.9	0	0	0	0	110.8	T64	S62-T64 PolarHBondContact O-N 2.98Å
63	D	27.1	Very low	29.7	Very low	165 Å²	165	153.1 Å²	153.1	88%	0.882	79%	0.791	S	S	*	*			trans	-72.4	118.7	179.2	-57.8	-70.2	0	0	0	112.9
64	T	24.6	Very low	29.2	Very low	121 Å²	121	155.7 Å²	155.7	74%	0.742	80%	0.802	S	S	*	*			trans	-162.8	103.8	152	26.7	0	0	0	0	109	S62	S62-T64 PolarHBondContact O-N 2.98Å
65	D	26.2	Very low	28.2	Very low	161 Å²	161	152 Å²	152	86%	0.861	81%	0.807	S	S	*	*				169.9	136.4	117.2	-88	-10.7	0	0	0	110.9
66	S	24.8	Very low	27.5	Very low	122 Å²	122	147.8 Å²	147.8	85%	0.853	81%	0.808	S	S	*	*			trans	-125.5	121.8	-176	54	0	0	0	0	111.8
67	V	26	Very low	27.2	Very low	140 Å²	140	146.8 Å²	146.8	85%	0.848	82%	0.816	S	S	*	*			trans	-133.8	124.5	-179.7	-177.1	0	0	0	0	109.9
68	L	27.2	Very low	26.8	Very low	170 Å²	170	151.1 Å²	151.1	89%	0.89	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-93.4	131.7	-176.7	-72.4	166	0	0	0	112.4
69	P	28.2	Very low	26.6	Very low	113 Å²	113	154.1 Å²	154.1	73%	0.734	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-88.3	157.7	168.1	34.2	-32.9	0	0	0	113.1
70	P	26.2	Very low	26.6	Very low	132 Å²	132	156 Å²	156	86%	0.857	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-90	168.6	-170.5	35.5	-37.3	0	0	0	116.1
71	K	26.6	Very low	26.5	Very low	207 Å²	207	152.4 Å²	152.4	90%	0.9	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-75.7	141.7	-172.3	-57.4	170.1	-178.1	172.1	0	114.8
72	R	26.2	Very low	26.4	Very low	226 Å²	226	146.1 Å²	146.1	85%	0.853	82%	0.815	S	S	*	*			trans	-137.9	117.6	150.8	-86.3	-171.5	174.5	179.3	-2.2	108.3
73	Q	24.9	Very low	26.9	Very low	180 Å²	180	147.1 Å²	147.1	84%	0.841	80%	0.803	S	S	*	*				81.7	142.5	98.6	-86.5	-176.5	-46.1	0	0	114.5
74	K	24.5	Very low	27	Very low	217 Å²	217	143.9 Å²	143.9	94%	0.943	79%	0.792	S	S	*	*			trans	-98.9	132.4	-169	-71.4	-178.1	175.5	-177.4	0	113
75	S	25.3	Very low	27.4	Very low	124 Å²	124	141.2 Å²	141.2	87%	0.867	77%	0.773	S	S	*	*			trans	-144.6	157.4	143.3	51	0	0	0	0	105.4
76	G	24.5	Very low	27.6	Very low	67 Å²	67	136.5 Å²	136.5	69%	0.691	75%	0.753	S	S	*	*			cis	-176.9	147.4	-4.9	0	0	0	0	0	104.6	Q78	G76-Q78 PolarHBondContact O-N 3.31Å
77	S	26	Very low	27.9	Very low	125 Å²	125	133.3 Å²	133.3	87%	0.874	73%	0.73	S	S	*	*			trans	-64.5	129.2	-172.8	44.3	0	0	0	0	111.8
78	Q	24.9	Very low	28.4	Very low	176 Å²	176	129.2 Å²	129.2	82%	0.822	71%	0.708	S	S	*	*			trans	-118.1	90.3	179.2	-173.6	174.9	-1	0	0	109.3	G76	G76-Q78 PolarHBondContact O-N 3.31Å
79	E	29.1	Very low	28.7	Very low	183 Å²	183	123.5 Å²	123.5	86%	0.855	68%	0.679	S	S	*	*			trans	-111.4	178.5	163.8	-67.9	177.2	158.9	0	0	107.9
80	D	29.8	Very low	28.9	Very low	156 Å²	156	125.1 Å²	125.1	83%	0.834	68%	0.681	S	S	*	*			trans	60.9	80.8	-171.5	-77	-20.1	0	0	0	116.8
81	L	30.2	Very low	29.2	Very low	123 Å²	123	127.9 Å²	127.9	64%	0.644	68%	0.683	S	S	*	*			trans	-109.6	72.8	141.9	-74	177.4	0	0	0	108.9	W83	L81-W83 PolarHBondContact O-N 2.98Å
82	G	26.5	Very low	29.3	Very low	59 Å²	59	126.4 Å²	126.4	61%	0.608	68%	0.683	S	S	*	*			trans	-65.7	125.7	-179.1	0	0	0	0	0	112.8	C84	G82-C84 PolarHBondContact O-N 2.84Å; G82-C84 VanDerWaalsContact O-N 3.09Å
83	W	36.8	Very low	29.3	Very low	123 Å²	123	124 Å²	124	47%	0.466	68%	0.682	S	S	.	*			trans	-73.7	98.7	178.8	-68.7	90.1	0	0	0	111.3	L81 L85 I280	L81-W83 PolarHBondContact O-N 2.98Å; W83-L85 VanDerWaalsContact C-N 3.3Å; W83-L85 PolarHBondContact O-N 2.79Å; W83-I280 HydrophobicContact CH2-CD1 3.91Å
84	C	29.4	Very low	29.5	Very low	97 Å²	97	121.2 Å²	121.2	66%	0.655	68%	0.679	S	S	*	*			trans	-67.4	79.6	176.8	-67.8	0	0	0	0	112.6	G82 Y199	G82-C84 PolarHBondContact O-N 2.84Å; G82-C84 VanDerWaalsContact O-N 3.09Å; C84-Y199 PolarHBondContact O-OH 2.73Å
85	L	33.1	Very low	29.6	Very low	64 Å²	64	120 Å²	120	34%	0.335	68%	0.677	S	S	.	*			trans	-84.9	115	179.1	-73.4	169.9	0	0	0	112	W83 S87 P456 W585	W83-L85 VanDerWaalsContact C-N 3.3Å; W83-L85 PolarHBondContact O-N 2.79Å; L85-S87 PolarHBondContact O-N 3.41Å; L85-P456 HydrophobicContact CD1-CB 3.91Å; L85-P456 HydrophobicContact CD2-CB 3.75Å; L85-P456 HydrophobicContact CD2-CG 4.09Å; L85-W585 HydrophobicContact CD1-CD2 4.11Å; L85-W585 VanDerWaalsContact CD1-CE2 3.47Å; L85-W585 HydrophobicContact CD1-CH2 3.91Å; L85-W585 HydrophobicContact CD1-CZ2 3.37Å; L85-W585 HydrophobicContact CD1-CZ3 4.46Å
86	S	29	Very low	29.6	Very low	62 Å²	62	122 Å²	122	43%	0.434	68%	0.675	S	S	.	*			trans	-76.2	80.4	174.5	172.2	0	0	0	0	111.7	S88 F254	S86-S88 PolarHBondContact O-N 3.46Å; S86-F254 WeakPolarHBondContact OG-CA 3.41Å
87	S	31.4	Very low	29.7	Very low	55 Å²	55	126.3 Å²	126.3	39%	0.385	68%	0.681	S	S	.	*			trans	-63.7	121.4	168	-165.6	0	0	0	0	110.2	L85 D89 F254	L85-S87 PolarHBondContact O-N 3.41Å; S87-D89 PolarHBondContact O-N 3.48Å; S87-D89 VanDerWaalsContact O-N 3.1Å; S87-F254 VanDerWaalsContact O-CD1 3.3Å; S87-F254 WeakPolarHBondContact O-CD1 3.44Å; S87-F254 VanDerWaalsContact O-CE1 3.25Å; S87-F254 WeakPolarHBondContact O-CE1 3.47Å
88	S	36	Very low	29.7	Very low	55 Å²	55	129 Å²	129	39%	0.385	68%	0.68	S	S	.	*			trans	-86.6	52.2	-178.1	-178.4	0	0	0	0	112.4	S86 F254	S86-S88 PolarHBondContact O-N 3.46Å; S88-F254 WeakPolarHBondContact OG-CD2 3.48Å
89	D	34.3	Very low	29.8	Very low	50 Å²	50	129.4 Å²	129.4	27%	0.267	68%	0.679	S	S	.	*			trans	-102	106.3	173.1	-85.8	-25.6	0	0	0	110	S87 K464	S87-D89 PolarHBondContact O-N 3.48Å; S87-D89 VanDerWaalsContact O-N 3.1Å; D89-K464 IonicContact OD1-NZ 3.71Å; D89-K464 PolarHBondContact OD1-NZ 3.34Å; D89-K464 IonicContact OD2-NZ 3.83Å; D89-K464 PolarHBondContact OD2-NZ 3.14Å
90	D	32.5	Very low	29.6	Very low	146 Å²	146	128.9 Å²	128.9	78%	0.781	68%	0.676	S	S	*	*			trans	179.4	115.4	140.5	-95.6	-20.6	0	0	0	109.2
91	E	32	Very low	29.5	Very low	191 Å²	191	126.2 Å²	126.2	89%	0.893	68%	0.676	S	S	*	*			trans	-107.7	117.3	163.6	-74.3	-170.8	163	0	0	108.3	Q93	E91-Q93 PolarHBondContact O-N 2.93Å
92	L	28.3	Very low	29.3	Very low	175 Å²	175	129.7 Å²	129.7	92%	0.916	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-65.2	129.4	-175	-72.3	164.3	0	0	0	112.1
93	Q	26.1	Very low	29.1	Very low	177 Å²	177	136.4 Å²	136.4	83%	0.827	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-95.6	152.4	161.4	-71.8	-95.7	-22	0	0	109.7	E91	E91-Q93 PolarHBondContact O-N 2.93Å
94	P	29.7	Very low	28.5	Very low	121 Å²	121	137.6 Å²	137.6	79%	0.786	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-74.4	146.3	-171.1	-16.6	32.3	0	0	0	114.4
95	E	26.5	Very low	28.3	Very low	190 Å²	190	138.2 Å²	138.2	89%	0.888	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-68.6	138	172.4	-56.5	178.2	121.4	0	0	112.2
96	M	25.2	Very low	27.9	Very low	167 Å²	167	142.2 Å²	142.2	82%	0.823	74%	0.743	S	S	*	*			trans	-144.9	114.3	150.9	-77.6	-155.5	76.4	0	0	113.2
97	L	26.1	Very low	27.6	Very low	157 Å²	157	147.6 Å²	147.6	82%	0.822	76%	0.758	S	S	*	*			trans	70.6	128.3	152	-66.4	169.6	0	0	0	120.9
98	Q	27.2	Very low	27.3	Very low	183 Å²	183	153 Å²	153	86%	0.855	78%	0.777	S	S	*	*			trans	-70.9	158.8	170.6	-54.4	156.1	-36.6	0	0	111.9
99	K	26.2	Very low	26.8	Very low	183 Å²	183	158.3 Å²	158.3	80%	0.796	80%	0.796	S	S	*	*				-159.2	127.8	128.1	-118	176.4	-179.8	179.1	0	115.3
100	Q	26.2	Very low	26.5	Very low	172 Å²	172	164.5 Å²	164.5	80%	0.804	82%	0.821	S	S	*	*			trans	57.5	138.7	148.7	-70.8	166.9	-76.2	0	0	120
101	A	26.6	Very low	26.1	Very low	100 Å²	100	163.7 Å²	163.7	83%	0.826	82%	0.817	S	S	*	*			trans	-121	145.3	169.2	0	0	0	0	0	109
102	E	25.6	Very low	25.9	Very low	196 Å²	196	162.1 Å²	162.1	92%	0.916	81%	0.813	S	S	*	*			trans	-126.8	148.8	168.1	-70.1	-165.2	137.1	0	0	110.5
103	K	24	Very low	25.8	Very low	200 Å²	200	159 Å²	159	87%	0.87	81%	0.805	S	S	*	*			trans	-102.2	137.1	174.8	-68.5	177.6	175.9	179	0	109.3
104	V	23.3	Very low	26	Very low	148 Å²	148	155 Å²	155	90%	0.897	80%	0.803	S	S	*	*			trans	-129.3	154.3	155.8	-176.4	0	0	0	0	108.5
105	V	24	Very low	26	Very low	111 Å²	111	155.2 Å²	155.2	67%	0.673	80%	0.804	S	S	*	*			trans	-121.8	136.3	-159.9	164.6	0	0	0	0	111.2
106	I	24.8	Very low	26	Very low	148 Å²	148	151 Å²	151	76%	0.759	80%	0.795	S	S	*	*			trans	28.9	126.6	152.1	-56.5	165.5	0	0	0	118.3
107	K	23.4	Very low	26.1	Very low	175 Å²	175	150.3 Å²	150.3	76%	0.761	80%	0.795	S	S	*	*			trans	-144.2	134.5	131	-138.8	-168.9	176.4	-133.9	0	112.3	E109	K107-E109 IonicContact NZ-OE1 3.46Å; K107-E109 PolarHBondContact NZ-OE1 2.65Å
108	E	25.8	Very low	26.1	Very low	167 Å²	167	146.3 Å²	146.3	78%	0.78	79%	0.792	S	S	*	*			trans	-88.8	158.3	167.9	-55.5	172.3	121.6	0	0	110.1
109	E	25.5	Very low	26.1	Very low	168 Å²	168	144.3 Å²	144.3	79%	0.785	79%	0.792	S	S	*	*			trans	-155.2	169.6	143.2	-117	152.8	-123.8	0	0	110.3	K107	K107-E109 IonicContact NZ-OE1 3.46Å; K107-E109 PolarHBondContact NZ-OE1 2.65Å
110	K	26.9	Very low	26.1	Very low	179 Å²	179	139.8 Å²	139.8	78%	0.778	79%	0.789	S	S	*	*			trans	-113.1	160	-147.3	-85.6	-176	169	-170.1	0	116.9
111	D	25.4	Very low	26.1	Very low	130 Å²	130	141.5 Å²	141.5	70%	0.695	80%	0.797	S	S	*	*			trans	27.8	140.5	140.3	-53.6	-47.3	0	0	0	120.7
112	I	26.9	Very low	26	Very low	158 Å²	158	147.4 Å²	147.4	81%	0.81	80%	0.798	S	S	*	*				-174.2	132	109.6	-96	158.5	0	0	0	113.7
113	S	25.8	Very low	26	Very low	109 Å²	109	143.9 Å²	143.9	76%	0.762	79%	0.79	S	S	*	*			trans	42.2	132.6	157.6	71.3	0	0	0	0	123.3
114	A	29.9	Very low	26	Very low	93 Å²	93	142.8 Å²	142.8	77%	0.769	79%	0.788	S	S	*	*			trans	-100.5	172.8	144.4	0	0	0	0	0	110.6
115	P	30.8	Very low	26	Very low	126 Å²	126	142.3 Å²	142.3	82%	0.818	78%	0.781	S	S	*	*			trans	-123.9	150.8	153	37.2	-27.5	0	0	0	113.4
116	S	27.1	Very low	26.2	Very low	100 Å²	100	146.5 Å²	146.5	70%	0.699	79%	0.792	S	S	*	*			trans	-91.4	-174.7	161	65.9	0	0	0	0	109.5
117	D	27.6	Very low	26.3	Very low	153 Å²	153	142.8 Å²	142.8	82%	0.818	79%	0.79	S	S	*	*			cis	-155.3	169.1	15.5	-125.1	-53.8	0	0	0	110.3
118	G	25	Very low	26.6	Very low	74 Å²	74	140.4 Å²	140.4	76%	0.763	79%	0.793	S	S	*	*			trans	-176.4	89	179.4	0	0	0	0	0	117.8
119	T	26.5	Very low	26.7	Very low	140 Å²	140	138.5 Å²	138.5	86%	0.859	80%	0.795	S	S	*	*			trans	-81.2	162.7	169.7	43.5	0	0	0	0	112.4
120	A	26.2	Very low	26.6	Very low	88 Å²	88	136.6 Å²	136.6	73%	0.727	80%	0.795	S	S	*	*			cis	-175.3	158.4	-21.5	0	0	0	0	0	108.6
121	Q	26.7	Very low	26.5	Very low	208 Å²	208	133.9 Å²	133.9	97%	0.972	80%	0.797	S	S	*	*			trans	-166.2	-173.4	149.2	-112.8	169.9	21.2	0	0	113
122	R	25.9	Very low	26.5	Very low	224 Å²	224	135.8 Å²	135.8	85%	0.845	80%	0.802	S	S	*	*			trans	-137	155.8	-149.8	-151.1	-175.4	-164.4	-177.5	4.6	112.8
123	T	23.8	Very low	26.3	Very low	122 Å²	122	139.5 Å²	139.5	75%	0.748	81%	0.805	S	S	*	*			trans	64.9	153.6	168.6	33.1	0	0	0	0	115.9
124	E	24	Very low	26.3	Very low	177 Å²	177	141.8 Å²	141.8	83%	0.827	81%	0.808	S	S	*	*			cis	-141.7	-175.6	18.9	-153.2	157.1	-131.2	0	0	113.8
125	N	23.8	Very low	26.1	Very low	139 Å²	139	145.2 Å²	145.2	74%	0.743	81%	0.806	S	S	*	*			trans	-91.8	137.7	-167.1	-57.3	-74	0	0	0	114.9
126	H	27.7	Very low	26	Very low	198 Å²	198	148.2 Å²	148.2	92%	0.917	81%	0.809	S	S	*	*			trans	-143.7	135.9	143.2	-79.7	-64.1	0	0	0	110.3
127	G	27.4	Very low	26	Very low	70 Å²	70	149.7 Å²	149.7	72%	0.722	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-94.1	154.1	-177.7	0	0	0	0	0	113.6
128	P	30.9	Very low	26.1	Very low	125 Å²	125	151.4 Å²	151.4	81%	0.812	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-71.9	153.3	177.5	30.6	-35.2	0	0	0	112.4
129	P	27.6	Very low	26.2	Very low	128 Å²	128	156.7 Å²	156.7	83%	0.831	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-73.8	156	-171	29.6	-36.1	0	0	0	114.2	C131	P129-C131 PolarHBondContact O-N 2.96Å
130	T	22.8	Very low	26.5	Very low	127 Å²	127	159.4 Å²	159.4	78%	0.779	81%	0.809	S	S	*	*			trans	-66.7	115.2	177.9	39.6	0	0	0	0	112.8
131	C	23.9	Very low	26.7	Very low	122 Å²	122	163.8 Å²	163.8	82%	0.824	81%	0.814	S	S	*	*			trans	-71.4	128.6	161.3	-177.1	0	0	0	0	109.9	P129 R133	P129-C131 PolarHBondContact O-N 2.96Å; C131-R133 PolarHBondContact O-N 2.63Å
132	H	25.5	Very low	26.9	Very low	170 Å²	170	159 Å²	159	79%	0.787	80%	0.799	S	S	*	*			trans	-72.5	93.6	177.2	-80.2	-89.2	0	0	0	110.6	L134	H132-L134 PolarHBondContact O-N 3.2Å
133	R	24.1	Very low	27.4	Very low	236 Å²	236	151.3 Å²	151.3	89%	0.891	78%	0.78	S	S	*	*			trans	-71.8	90.9	171.7	-168.1	179.8	-162.6	171.6	6.4	110	C131 K135	C131-R133 PolarHBondContact O-N 2.63Å; R133-K135 PolarHBondContact O-N 3.46Å
134	L	25.8	Very low	27.9	Very low	157 Å²	157	149.2 Å²	149.2	82%	0.822	78%	0.783	S	S	*	*			trans	-54.1	134.4	164.7	-69.5	171.2	0	0	0	109	H132	H132-L134 PolarHBondContact O-N 3.2Å
135	K	24.3	Very low	29	Very low	165 Å²	165	144.4 Å²	144.4	72%	0.717	76%	0.76	S	S	*	*			trans	-87.6	116.7	164.1	-72.6	168.3	122.8	-157.1	0	106.4	R133 E137	R133-K135 PolarHBondContact O-N 3.46Å; K135-E137 VanDerWaalsContact C-N 3.29Å; K135-E137 HydrophobicContact CB-CG 4.34Å; K135-E137 WeakPolarHBondContact CD-OE1 3.24Å; K135-E137 VanDerWaalsContact CE-OE1 3.23Å; K135-E137 WeakPolarHBondContact CE-OE1 3.36Å; K135-E137 IonicContact NZ-OE1 2.73Å; K135-E137 PolarHBondContact NZ-OE1 3.26Å; K135-E137 PolarHBondContact O-N 3.47Å; K135-E137 VanDerWaalsContact O-N 3.14Å
136	E	28.6	Very low	29.8	Very low	190 Å²	190	139.9 Å²	139.9	89%	0.888	75%	0.746	S	S	*	*			trans	-78.5	89.7	159.7	-70	174.4	147.3	0	0	107
137	E	26.9	Very low	30.3	Very low	131 Å²	131	136 Å²	136	61%	0.612	73%	0.729	S	S	*	*			trans	-84.4	111.3	160	-75.1	169.9	-172.2	0	0	105.6	K135 E139	K135-E137 VanDerWaalsContact C-N 3.29Å; K135-E137 HydrophobicContact CB-CG 4.34Å; K135-E137 WeakPolarHBondContact CD-OE1 3.24Å; K135-E137 VanDerWaalsContact CE-OE1 3.23Å; K135-E137 WeakPolarHBondContact CE-OE1 3.36Å; K135-E137 IonicContact NZ-OE1 2.73Å; K135-E137 PolarHBondContact NZ-OE1 3.26Å; K135-E137 PolarHBondContact O-N 3.47Å; K135-E137 VanDerWaalsContact O-N 3.14Å; E137-E139 VanDerWaalsContact C-N 3.28Å; E137-E139 PolarHBondContact O-N 2.62Å
138	E	30.2	Very low	31.5	Very low	188 Å²	188	137.8 Å²	137.8	88%	0.879	72%	0.722	S	S	*	*			trans	-66.6	85	-179.6	-72.7	-169.6	146.5	0	0	110.1
139	E	28.5	Very low	32.7	Very low	185 Å²	185	132.8 Å²	132.8	86%	0.864	69%	0.688	S	S	*	*			trans	-63.4	140.1	173	-88.3	-166.3	130.4	0	0	111.5	E137 E141	E137-E139 VanDerWaalsContact C-N 3.28Å; E137-E139 PolarHBondContact O-N 2.62Å; E139-E141 PolarHBondContact O-N 3.35Å
140	Y	32.6	Very low	33.8	Very low	198 Å²	198	131.2 Å²	131.2	78%	0.776	67%	0.665	S	S	*	*			trans	-87	72.5	-163.4	-133.9	-99.2	0	0	0	111.1	T142	Y140-T142 HydrophobicContact CD1-CG2 3.8Å; Y140-T142 HydrophobicContact CE1-CG2 3.86Å; Y140-T142 PolarHBondContact O-N 3.41Å
141	E	29.8	Very low	35	Very low	179 Å²	179	129.7 Å²	129.7	84%	0.836	65%	0.652	S	S	*	*			trans	-69.8	71	166.8	-76	-152.5	142.9	0	0	111.1	E139	E139-E141 PolarHBondContact O-N 3.35Å
142	T	31.7	Very low	36.5	Very low	108 Å²	108	125.6 Å²	125.6	66%	0.663	62%	0.622	S	S	*	*			trans	-88.6	84.1	149	53	0	0	0	0	108.2	Y140	Y140-T142 HydrophobicContact CD1-CG2 3.8Å; Y140-T142 HydrophobicContact CE1-CG2 3.86Å; Y140-T142 PolarHBondContact O-N 3.41Å
143	S	34.5	Very low	38	Very low	62 Å²	62	118.9 Å²	118.9	43%	0.434	59%	0.591	S	S	.	*			trans	-49.2	159.3	156.4	24.6	0	0	0	0	110.8	E145	S143-E145 WeakPolarHBondContact CB-OE1 3.39Å; S143-E145 PolarHBondContact O-N 3.24Å; S143-E145 PolarHBondContact OG-OE1 3.2Å
144	G	34.9	Very low	39.3	Very low	79 Å²	79	113.6 Å²	113.6	81%	0.814	58%	0.581	S	S	*	*	S	Bend	trans	-69.6	28.1	-173.7	0	0	0	0	0	116.5	G146	G144-G146 PolarHBondContact O-N 3.37Å; G144-G146 VanDerWaalsContact O-N 3.14Å
145	E	47	Very low	40.6	Very low	76 Å²	76	114.5 Å²	114.5	36%	0.355	58%	0.578	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68.1	-13.4	-163.9	-67.2	171.9	-177.2	0	0	114.5	S143 Q147 D148 I149	S143-E145 WeakPolarHBondContact CB-OE1 3.39Å; S143-E145 PolarHBondContact O-N 3.24Å; S143-E145 PolarHBondContact OG-OE1 3.2Å; E145-Q147 PolarHBondContact O-N 3.09Å; E145-D148 PolarHBondContact O-N 3.4Å; E145-D148 VanDerWaalsContact O-N 3.07Å; E145-I149 PolarHBondContact O-N 3.32Å
146	G	41.3	Very low	42.5	Very low	43 Å²	43	109 Å²	109	44%	0.443	57%	0.568	S	S	.	*	T	Hydrogen-bonded Turn	trans	-61.9	-7.8	179.6	0	0	0	0	0	115.6	G144	G144-G146 PolarHBondContact O-N 3.37Å; G144-G146 VanDerWaalsContact O-N 3.14Å
147	Q	37.4	Very low	44.9	Very low	118 Å²	118	101 Å²	101	55%	0.551	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-43.9	171.1	-168.4	63.3	71.7	0	0	111.9	E145 I149 W150	E145-Q147 PolarHBondContact O-N 3.09Å; Q147-I149 VanDerWaalsContact C-N 3.32Å; Q147-I149 PolarHBondContact O-N 2.87Å; Q147-W150 PolarHBondContact O-N 3.16Å
148	D	52.5	Low	47.9	Very low	107 Å²	107	97.4 Å²	97.4	57%	0.572	52%	0.519	S	S	*	.	H	α-helix	trans	-63.4	-35.3	-179.5	-74.5	-37.5	0	0	0	112.6	E145 W150 D151 M152	E145-D148 PolarHBondContact O-N 3.4Å; E145-D148 VanDerWaalsContact O-N 3.07Å; D148-W150 PolarHBondContact O-N 3.26Å; D148-D151 PolarHBondContact O-N 3.32Å; D148-M152 WeakPolarHBondContact O-CB 3.38Å; D148-M152 WeakPolarHBondContact O-CG 3.34Å; D148-M152 PolarHBondContact O-N 3.19Å
149	I	55.9	Low	50.9	Low	20 Å²	20	88.6 Å²	88.6	10%	0.103	48%	0.478	C	S	.	.	H	α-helix	trans	-56.1	-35.8	-179.8	-70.4	171.4	0	0	0	112.1	E145 Q147 L153 L187 F188	E145-I149 PolarHBondContact O-N 3.32Å; Q147-I149 VanDerWaalsContact C-N 3.32Å; Q147-I149 PolarHBondContact O-N 2.87Å; I149-L153 HydrophobicContact CG2-CD1 4.21Å; I149-L153 WeakPolarHBondContact O-CG 3.07Å; I149-L153 PolarHBondContact O-N 3Å; I149-L187 HydrophobicContact CD1-CD1 4.39Å; I149-L187 HydrophobicContact CG2-CD1 4.41Å; I149-F188 HydrophobicContact CG2-CE2 3.76Å
150	W	51.4	Low	54.1	Low	94 Å²	94	81.3 Å²	81.3	36%	0.356	44%	0.444	S	S	.	.	H	α-helix	trans	-77	-43.9	-180	-72	102.6	0	0	0	112.7	Q147 D148 M152 L153 D154 L187	Q147-W150 PolarHBondContact O-N 3.16Å; D148-W150 PolarHBondContact O-N 3.26Å; W150-M152 PolarHBondContact O-N 3.23Å; W150-L153 PolarHBondContact O-N 3.11Å; W150-L153 VanDerWaalsContact O-N 3.13Å; W150-D154 PolarHBondContact O-N 3.48Å; W150-L187 WeakPolarHBondContact CH2-O 3.45Å; W150-L187 HydrophobicContact CZ2-CB 3.83Å; W150-L187 HydrophobicContact CZ2-CD2 4.13Å; W150-L187 WeakPolarHBondContact CZ2-O 3.38Å
151	D	48.8	Very low	57.2	Low	95 Å²	95	71.9 Å²	71.9	51%	0.508	41%	0.407	S	S	.	.	H	α-helix	trans	-65.7	-29.2	176.8	-72.6	-50.9	0	0	0	111.6	D148 K155 G156	D148-D151 PolarHBondContact O-N 3.32Å; D151-K155 PolarHBondContact O-N 3.22Å; D151-G156 PolarHBondContact O-N 3Å
152	M	54.9	Low	60.4	Low	37 Å²	37	63.6 Å²	63.6	18%	0.182	37%	0.368	C	S	.	.	I	π-helix	trans	-63.8	-44.5	168.6	-80.5	176.8	53.5	0	0	113.6	D148 W150 G156 Y162 L178	D148-M152 WeakPolarHBondContact O-CB 3.38Å; D148-M152 WeakPolarHBondContact O-CG 3.34Å; D148-M152 PolarHBondContact O-N 3.19Å; W150-M152 PolarHBondContact O-N 3.23Å; M152-G156 PolarHBondContact O-N 2.81Å; M152-Y162 HydrophobicContact CE-CD1 4.01Å; M152-Y162 HydrophobicContact CE-CE1 3.72Å; M152-L178 HydrophobicContact CE-CD2 4.1Å
153	L	56	Low	63.6	Low	28 Å²	28	58.5 Å²	58.5	15%	0.147	34%	0.337	C	S	.	.	I	π-helix	trans	-72	-49.1	-175.6	-76.3	168.2	0	0	0	111.9	I149 W150 Q160 F188 L293	I149-L153 HydrophobicContact CG2-CD1 4.21Å; I149-L153 WeakPolarHBondContact O-CG 3.07Å; I149-L153 PolarHBondContact O-N 3Å; W150-L153 PolarHBondContact O-N 3.11Å; W150-L153 VanDerWaalsContact O-N 3.13Å; L153-Q160 PolarHBondContact O-NE2 3.18Å; L153-F188 HydrophobicContact CD1-CD2 4.49Å; L153-F188 HydrophobicContact CD1-CE2 4.03Å; L153-F188 HydrophobicContact CD1-CZ 4.26Å; L153-F188 HydrophobicContact CD2-CZ 4.36Å; L153-L293 HydrophobicContact CD2-CD2 3.56Å
154	D	52.4	Low	66.7	Low	125 Å²	125	55.5 Å²	55.5	67%	0.668	32%	0.316	S	S	*	.	I	π-helix	trans	-76.5	-28.9	-173.3	-81.5	-1.8	0	0	0	113.5	W150	W150-D154 PolarHBondContact O-N 3.48Å
155	K	53.3	Low	69.7	Low	176 Å²	176	55.8 Å²	55.8	77%	0.765	29%	0.293	S	S	*	.	I	π-helix	trans	-143.1	-9.3	-167.5	-66.7	175.5	-172	151	0	116.6	D151	D151-K155 PolarHBondContact O-N 3.22Å
156	G	63.2	Low	72.2	Confident	50 Å²	50	52.2 Å²	52.2	52%	0.515	28%	0.276	S	S	.	.	I	π-helix	trans	-84.6	-33.6	-169.5	0	0	0	0	0	116.2	D151 M152	D151-G156 PolarHBondContact O-N 3Å; M152-G156 PolarHBondContact O-N 2.81Å
157	N	80.3	Confident	74.9	Confident	22 Å²	22	52.4 Å²	52.4	12%	0.118	27%	0.271	C	S	.	.			trans	-149.8	100	-167.1	-175	-0.5	0	0	0	112.2	F159 Q160 F161 Y162	N157-F159 PolarHBondContact O-N 3.12Å; N157-F159 PolarHBondContact OD1-N 3.36Å; N157-Q160 PolarHBondContact O-N 3.48Å; N157-Q160 PolarHBondContact O-NE2 3.29Å; N157-Q160 PolarHBondContact OD1-N 2.86Å; N157-F161 PolarHBondContact ND2-N 2.82Å; N157-F161 PolarHBondContact ND2-O 3.33Å; N157-Y162 HydrophobicContact CB-CE1 4.27Å
158	P	88.8	Confident	77.7	Confident	55 Å²	55	50.3 Å²	50.3	36%	0.357	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-15.8	-177.5	28.4	-34.8	0	0	0	113.6	M562	P158-M562 HydrophobicContact CG-CB 4.19Å; P158-M562 WeakPolarHBondContact CG-O 3.35Å
159	F	94.4	Very high	79.9	Confident	3 Å²	3	46.6 Å²	46.6	1%	0.013	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-12.5	177.4	-55.6	-70.7	0	0	0	113.2	N157 F161 F538 F543 F548 T564 F565	N157-F159 PolarHBondContact O-N 3.12Å; N157-F159 PolarHBondContact OD1-N 3.36Å; F159-F161 HydrophobicContact CB-CB 4.41Å; F159-F161 PolarHBondContact O-N 3.48Å; F159-F538 HydrophobicContact CB-CD1 4.34Å; F159-F538 HydrophobicContact CB-CE1 3.99Å; F159-F538 HydrophobicContact CD1-CD1 4.14Å; F159-F538 VanDerWaalsContact O-CE1 3.24Å; F159-F538 WeakPolarHBondContact O-CE1 3.5Å; F159-F543 HydrophobicContact CD1-CD1 4.06Å; F159-F543 AromaticContact CD1-CE1 3.51Å; F159-F543 HydrophobicContact CD1-CE1 3.51Å; F159-F543 HydrophobicContact CD1-CE2 4.29Å; F159-F543 AromaticContact CD1-CZ 3.67Å; F159-F543 HydrophobicContact CD1-CZ 3.67Å; F159-F543 AromaticContact CE1-CD1 3.75Å; F159-F543 HydrophobicContact CE1-CD1 3.75Å; F159-F543 HydrophobicContact CE1-CD2 4.41Å; F159-F543 AromaticContact CE1-CE1 3.72Å; F159-F543 HydrophobicContact CE1-CE1 3.72Å; F159-F543 HydrophobicContact CE1-CE2 4.41Å; F159-F543 HydrophobicContact CE1-CG 4.12Å; F159-F543 HydrophobicContact CE1-CZ 4.08Å; F159-F548 AromaticContact CE1-CD1 3.83Å; F159-F548 HydrophobicContact CE1-CD1 3.83Å; F159-F548 AromaticContact CE1-CE1 3.47Å; F159-F548 HydrophobicContact CE1-CE1 3.47Å; F159-F548 VanDerWaalsContact CE1-CE1 3.47Å; F159-F548 AromaticContact CE1-CZ 3.94Å; F159-F548 HydrophobicContact CE1-CZ 3.94Å; F159-F548 AromaticContact CZ-CD1 3.87Å; F159-F548 HydrophobicContact CZ-CD1 3.87Å; F159-F548 AromaticContact CZ-CE1 3.98Å; F159-F548 HydrophobicContact CZ-CE1 3.98Å; F159-T564 WeakPolarHBondContact CE2-O 3.24Å; F159-F565 HydrophobicContact CB-CD2 4.38Å; F159-F565 HydrophobicContact CB-CE2 4.02Å; F159-F565 AromaticContact CD1-CD2 3.72Å; F159-F565 HydrophobicContact CD1-CD2 3.72Å; F159-F565 AromaticContact CD1-CE2 3.93Å; F159-F565 HydrophobicContact CD1-CE2 3.93Å; F159-F565 AromaticContact CD2-CD2 3.93Å; F159-F565 HydrophobicContact CD2-CD2 3.93Å; F159-F565 HydrophobicContact CD2-CE2 4.41Å; F159-F565 AromaticContact CE1-CD2 3.97Å; F159-F565 HydrophobicContact CE1-CD2 3.97Å; F159-F565 HydrophobicContact CE2-CB 4.41Å; F159-F565 HydrophobicContact CE2-CD2 4.17Å; F159-F565 AromaticContact CG-CD2 3.71Å; F159-F565 HydrophobicContact CG-CD2 3.71Å; F159-F565 AromaticContact CG-CE2 3.83Å; F159-F565 HydrophobicContact CG-CE2 3.83Å; F159-F565 HydrophobicContact CZ-CD2 4.19Å
160	Q	95.6	Very high	81.9	Confident	32 Å²	32	52.8 Å²	52.8	15%	0.15	29%	0.288	C	S	.	.			trans	48.4	28.8	-174.2	-60	-72.4	-61.6	0	0	113.6	L153 N157 Y162 W292 L293	L153-Q160 PolarHBondContact O-NE2 3.18Å; N157-Q160 PolarHBondContact O-N 3.48Å; N157-Q160 PolarHBondContact O-NE2 3.29Å; N157-Q160 PolarHBondContact OD1-N 2.86Å; Q160-Y162 VanDerWaalsContact C-CE2 3.49Å; Q160-Y162 HydrophobicContact CB-CE2 4.1Å; Q160-Y162 PolarHBondContact NE2-OH 2.84Å; Q160-Y162 VanDerWaalsContact O-CD2 3.24Å; Q160-Y162 WeakPolarHBondContact O-CD2 3.39Å; Q160-Y162 WeakPolarHBondContact O-CE2 3.48Å; Q160-Y162 PolarHBondContact OE1-OH 3.39Å; Q160-W292 WeakPolarHBondContact O-CA 3.46Å; Q160-L293 HydrophobicContact CB-CB 4.39Å; Q160-L293 WeakPolarHBondContact CB-O 3.38Å; Q160-L293 PolarHBondContact O-N 3.29Å; Q160-L293 VanDerWaalsContact O-N 3.08Å
161	F	97.3	Very high	83.9	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	115.3	175.6	174.1	-118.5	0	0	0	109.9	N157 F159 L163 I291 I489 F505 V507 F538 F554 F565 P566 P568	N157-F161 PolarHBondContact ND2-N 2.82Å; N157-F161 PolarHBondContact ND2-O 3.33Å; F159-F161 HydrophobicContact CB-CB 4.41Å; F159-F161 PolarHBondContact O-N 3.48Å; F161-L163 HydrophobicContact CZ-CD2 4.21Å; F161-I291 CarbonylContact C-O 3.55Å; F161-I291 WeakPolarHBondContact CA-O 3.45Å; F161-I291 WeakPolarHBondContact CD2-O 3.23Å; F161-I489 HydrophobicContact CE2-CD1 4.28Å; F161-I489 HydrophobicContact CZ-CD1 3.86Å; F161-F505 HydrophobicContact CE1-CE1 4.14Å; F161-F505 HydrophobicContact CE1-CZ 4.2Å; F161-F505 HydrophobicContact CZ-CE1 4.21Å; F161-F505 HydrophobicContact CZ-CZ 4.36Å; F161-V507 HydrophobicContact CD2-CG1 4.2Å; F161-V507 HydrophobicContact CE2-CB 4.16Å; F161-V507 HydrophobicContact CE2-CG1 4.16Å; F161-V507 HydrophobicContact CE2-CG2 4.08Å; F161-F538 HydrophobicContact CB-CZ 4.04Å; F161-F554 HydrophobicContact CE1-CE2 4.17Å; F161-F565 HydrophobicContact CB-CZ 4.43Å; F161-F565 HydrophobicContact CD1-CE1 4.06Å; F161-F565 AromaticContact CD1-CZ 3.96Å; F161-F565 HydrophobicContact CD1-CZ 3.96Å; F161-F565 HydrophobicContact CE1-CE1 4.45Å; F161-F565 HydrophobicContact CG-CZ 4.35Å; F161-P566 HydrophobicContact CD1-CG 4.26Å; F161-P568 HydrophobicContact CE1-CG 4.23Å; F161-P568 HydrophobicContact CZ-CG 4.27Å
162	Y	97.9	Very high	86.1	Confident	6 Å²	6	54.1 Å²	54.1	2%	0.024	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	161.4	-174.4	-58.4	-85.4	0	0	0	110.8	M152 N157 Q160 L178 I291 L293	M152-Y162 HydrophobicContact CE-CD1 4.01Å; M152-Y162 HydrophobicContact CE-CE1 3.72Å; N157-Y162 HydrophobicContact CB-CE1 4.27Å; Q160-Y162 VanDerWaalsContact C-CE2 3.49Å; Q160-Y162 HydrophobicContact CB-CE2 4.1Å; Q160-Y162 PolarHBondContact NE2-OH 2.84Å; Q160-Y162 VanDerWaalsContact O-CD2 3.24Å; Q160-Y162 WeakPolarHBondContact O-CD2 3.39Å; Q160-Y162 WeakPolarHBondContact O-CE2 3.48Å; Q160-Y162 PolarHBondContact OE1-OH 3.39Å; Y162-L178 HydrophobicContact CD1-CD1 4.29Å; Y162-L178 HydrophobicContact CD1-CG 4.41Å; Y162-L178 HydrophobicContact CD2-CD1 3.87Å; Y162-L178 HydrophobicContact CE2-CD1 4.45Å; Y162-L178 HydrophobicContact CG-CD1 3.78Å; Y162-L178 HydrophobicContact CG-CG 4.24Å; Y162-I291 PolarHBondContact N-O 2.66Å; Y162-I291 PolarHBondContact O-N 3.5Å; Y162-L293 HydrophobicContact CD2-CB 4.35Å; Y162-L293 HydrophobicContact CE2-CB 4.15Å
163	L	98.6	Very high	88	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	157.4	170.1	-65.2	175.1	0	0	0	110.5	F161 A177 L178 T288 Q289 I489 F554 F555 P568	F161-L163 HydrophobicContact CZ-CD2 4.21Å; L163-A177 CarbonylContact O-C 3.43Å; L163-A177 VanDerWaalsContact O-CA 3.28Å; L163-A177 WeakPolarHBondContact O-CA 3.27Å; L163-A177 WeakPolarHBondContact O-CB 3.23Å; L163-L178 PolarHBondContact O-N 2.99Å; L163-T288 HydrophobicContact CD2-CG2 4.23Å; L163-Q289 WeakPolarHBondContact CA-O 3.5Å; L163-Q289 WeakPolarHBondContact CD2-O 3.34Å; L163-I489 HydrophobicContact CD2-CD1 4.27Å; L163-F554 HydrophobicContact CB-CZ 4.47Å; L163-F554 HydrophobicContact CD1-CD1 4.23Å; L163-F554 HydrophobicContact CD1-CD2 4.1Å; L163-F554 HydrophobicContact CD1-CE1 3.95Å; L163-F554 HydrophobicContact CD1-CE2 3.77Å; L163-F554 HydrophobicContact CD1-CG 4.32Å; L163-F554 HydrophobicContact CD1-CZ 3.72Å; L163-F554 HydrophobicContact CG-CE1 4.08Å; L163-F554 HydrophobicContact CG-CE2 3.93Å; L163-F554 HydrophobicContact CG-CZ 3.58Å; L163-F555 HydrophobicContact CD1-CZ 4.46Å; L163-P568 HydrophobicContact CD1-CB 3.77Å; L163-P568 HydrophobicContact CD2-CB 3.74Å; L163-P568 HydrophobicContact CD2-CG 4.48Å; L163-P568 HydrophobicContact CG-CB 4.23Å
164	T	98.6	Very high	89.9	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-65.2	147.7	170.1	40.2	0	0	0	0	112.5	L178 W284 K287 Q289 I291 R482	T164-L178 CarbonylContact C-O 3.53Å; T164-L178 VanDerWaalsContact CA-O 3.26Å; T164-L178 WeakPolarHBondContact CA-O 3.36Å; T164-W284 HydrophobicContact CG2-CD2 4.22Å; T164-W284 HydrophobicContact CG2-CE3 3.52Å; T164-W284 HydrophobicContact CG2-CZ3 3.72Å; T164-K287 PolarHBondContact OG1-O 2.69Å; T164-Q289 HydrophobicContact CG2-CB 3.61Å; T164-Q289 HydrophobicContact CG2-CG 3.92Å; T164-Q289 PolarHBondContact N-O 3.35Å; T164-Q289 VanDerWaalsContact OG1-CB 3.29Å; T164-Q289 WeakPolarHBondContact OG1-CB 3.42Å; T164-Q289 WeakPolarHBondContact OG1-CG 3.32Å; T164-Q289 PolarHBondContact OG1-N 2.96Å; T164-I291 HydrophobicContact CG2-CD1 3.99Å; T164-R482 PolarHBondContact O-NH2 2.69Å
165	R	98.6	Very high	91.7	Very high	85 Å²	85	52.8 Å²	52.8	32%	0.321	30%	0.299	S	S	.	.			trans	-56.8	143.8	163.7	-161.3	168.2	79.8	167.8	9	109.8	N174 L178 H179	R165-N174 HydrophobicContact CG-CB 4.08Å; R165-L178 PolarHBondContact N-O 3.33Å; R165-H179 HydrophobicContact CB-CB 4.17Å
166	V	98.8	Very high	93.4	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.006	27%	0.273	C	S	.	.			trans	-127.4	126.8	-179	175.1	0	0	0	0	109.7	V169 N174 H285 L446 R482 A485	V166-V169 HydrophobicContact CB-CG1 4.41Å; V166-V169 HydrophobicContact CB-CG2 3.93Å; V166-V169 HydrophobicContact CG1-CG1 3.73Å; V166-V169 HydrophobicContact CG1-CG2 4.12Å; V166-V169 WeakPolarHBondContact O-CG2 3.49Å; V166-N174 PolarHBondContact N-OD1 3.4Å; V166-N174 PolarHBondContact O-ND2 3.19Å; V166-H285 CarbonylContact C-O 3.52Å; V166-H285 WeakPolarHBondContact CA-O 3.29Å; V166-L446 HydrophobicContact CG1-CD1 3.68Å; V166-R482 HydrophobicContact CG2-CG 4.36Å; V166-A485 HydrophobicContact CG1-CB 3.95Å; V166-A485 HydrophobicContact CG2-CB 4.32Å
167	S	98.5	Very high	95	Very high	47 Å²	47	43.4 Å²	43.4	33%	0.329	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	133.6	175	-65	0	0	0	0	111.8	H285 Q286	S167-H285 VanDerWaalsContact CB-NE2 3.29Å; S167-H285 WeakPolarHBondContact CB-NE2 3.18Å; S167-H285 PolarHBondContact N-O 2.81Å; S167-H285 PolarHBondContact OG-CD2 3.32Å; S167-H285 PolarHBondContact OG-NE2 3.14Å; S167-Q286 WeakPolarHBondContact O-CG 3.32Å; S167-Q286 PolarHBondContact O-NE2 2.71Å; S167-Q286 VanDerWaalsContact O-NE2 3.14Å
168	G	97.1	Very high	95.8	Very high	74 Å²	74	42.6 Å²	42.6	76%	0.763	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	90	-2.1	176.6	0	0	0	0	0	116
169	V	97.6	Very high	96.2	Very high	28 Å²	28	41 Å²	41	17%	0.17	24%	0.235	C	C	.	.	S	Bend	trans	-90.6	157.7	167.8	-58.4	0	0	0	0	111.5	V166 L446	V166-V169 HydrophobicContact CB-CG1 4.41Å; V166-V169 HydrophobicContact CB-CG2 3.93Å; V166-V169 HydrophobicContact CG1-CG1 3.73Å; V166-V169 HydrophobicContact CG1-CG2 4.12Å; V166-V169 WeakPolarHBondContact O-CG2 3.49Å; V169-L446 HydrophobicContact CG1-CD1 4.18Å
170	K	97.1	Very high	96.4	Very high	150 Å²	150	40.8 Å²	40.8	65%	0.652	23%	0.234	S	C	*	.			trans	-60.9	136.7	178.3	-65	177.8	179.1	175.3	0	110.4	K172 Y173	K170-K172 HydrophobicContact CB-CG 4.2Å; K170-K172 PolarHBondContact O-N 3.27Å; K170-Y173 HydrophobicContact CB-CD2 4.09Å; K170-Y173 HydrophobicContact CB-CE2 4.39Å; K170-Y173 PolarHBondContact O-N 3.12Å
171	P	95.2	Very high	96.6	Very high	102 Å²	102	44.1 Å²	44.1	66%	0.662	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-50.1	-34.2	-171.2	-32.8	36.1	0	0	0	116.1	Y173 N174 S175	P171-Y173 PolarHBondContact O-N 3.45Å; P171-N174 CarbonylContact O-C 3.58Å; P171-N174 WeakPolarHBondContact O-CA 3.46Å; P171-N174 PolarHBondContact O-N 2.94Å; P171-S175 PolarHBondContact O-N 3.31Å; P171-S175 PolarHBondContact O-OG 3.22Å
172	K	93.8	Very high	96.6	Very high	115 Å²	115	45.5 Å²	45.5	50%	0.5	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-57.6	-10.4	173.5	62.5	153.9	-170.9	152.2	0	116.3	K170	K170-K172 HydrophobicContact CB-CG 4.2Å; K170-K172 PolarHBondContact O-N 3.27Å
173	Y	95.8	Very high	96.6	Very high	45 Å²	45	45.2 Å²	45.2	18%	0.176	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-101.2	-1.4	173.1	-62.5	-61.8	0	0	0	112.7	K170 P171 S480 G481 R482 F555	K170-Y173 HydrophobicContact CB-CD2 4.09Å; K170-Y173 HydrophobicContact CB-CE2 4.39Å; K170-Y173 PolarHBondContact O-N 3.12Å; P171-Y173 PolarHBondContact O-N 3.45Å; Y173-S480 VanDerWaalsContact CD1-C 3.42Å; Y173-S480 VanDerWaalsContact CD1-O 3.3Å; Y173-S480 WeakPolarHBondContact CD1-O 3.05Å; Y173-G481 VanDerWaalsContact CE1-CA 3.44Å; Y173-R482 PolarHBondContact O-NH1 2.68Å; Y173-R482 PolarHBondContact O-NH2 2.78Å; Y173-F555 HydrophobicContact CD1-CD2 4.1Å; Y173-F555 HydrophobicContact CD1-CE2 4.49Å; Y173-F555 VanDerWaalsContact O-CE2 3.3Å; Y173-F555 WeakPolarHBondContact O-CE2 3.09Å; Y173-F555 WeakPolarHBondContact O-CZ 3.44Å
174	N	96.1	Very high	96.5	Very high	33 Å²	33	45.5 Å²	45.5	18%	0.176	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	-19.8	170.4	-72.1	-31.4	0	0	0	112.2	R165 V166 P171 G176 A177	R165-N174 HydrophobicContact CG-CB 4.08Å; V166-N174 PolarHBondContact N-OD1 3.4Å; V166-N174 PolarHBondContact O-ND2 3.19Å; P171-N174 CarbonylContact O-C 3.58Å; P171-N174 WeakPolarHBondContact O-CA 3.46Å; P171-N174 PolarHBondContact O-N 2.94Å; N174-G176 PolarHBondContact O-N 3.37Å; N174-A177 WeakPolarHBondContact O-CB 3.46Å; N174-A177 PolarHBondContact O-N 2.78Å
175	S	89.4	Confident	96.5	Very high	84 Å²	84	46.5 Å²	46.5	59%	0.587	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	94.3	168.8	-52.8	0	0	0	0	110.9	P171 F555	P171-S175 PolarHBondContact O-N 3.31Å; P171-S175 PolarHBondContact O-OG 3.22Å; S175-F555 WeakPolarHBondContact O-CD1 3.46Å
176	G	89.5	Confident	96.4	Very high	20 Å²	20	45.1 Å²	45.1	21%	0.206	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	110.6	1.7	-170.2	0	0	0	0	0	115.1	N174	N174-G176 PolarHBondContact O-N 3.37Å
177	A	95.9	Very high	96.1	Very high	10 Å²	10	47.8 Å²	47.8	8%	0.083	28%	0.279	C	S	.	.			trans	-99	163.1	171.4	0	0	0	0	0	110.6	L163 N174 F555	L163-A177 CarbonylContact O-C 3.43Å; L163-A177 VanDerWaalsContact O-CA 3.28Å; L163-A177 WeakPolarHBondContact O-CA 3.27Å; L163-A177 WeakPolarHBondContact O-CB 3.23Å; N174-A177 WeakPolarHBondContact O-CB 3.46Å; N174-A177 PolarHBondContact O-N 2.78Å; A177-F555 HydrophobicContact CB-CE1 4.44Å
178	L	97.1	Very high	95.8	Very high	5 Å²	5	45.8 Å²	45.8	3%	0.026	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-123.2	139.6	-179.8	-63	175.5	0	0	0	111.7	M152 Y162 L163 T164 R165 D182 I183 I291	M152-L178 HydrophobicContact CE-CD2 4.1Å; Y162-L178 HydrophobicContact CD1-CD1 4.29Å; Y162-L178 HydrophobicContact CD1-CG 4.41Å; Y162-L178 HydrophobicContact CD2-CD1 3.87Å; Y162-L178 HydrophobicContact CE2-CD1 4.45Å; Y162-L178 HydrophobicContact CG-CD1 3.78Å; Y162-L178 HydrophobicContact CG-CG 4.24Å; L163-L178 PolarHBondContact O-N 2.99Å; T164-L178 CarbonylContact C-O 3.53Å; T164-L178 VanDerWaalsContact CA-O 3.26Å; T164-L178 WeakPolarHBondContact CA-O 3.36Å; R165-L178 PolarHBondContact N-O 3.33Å; L178-D182 HydrophobicContact CD2-CB 4.34Å; L178-I183 HydrophobicContact CB-CG1 4.42Å; L178-I183 HydrophobicContact CD1-CG1 4.38Å; L178-I291 HydrophobicContact CB-CD1 4.04Å
179	H	98.4	Very high	95.8	Very high	20 Å²	20	42.6 Å²	42.6	9%	0.093	23%	0.231	C	C	.	.			trans	-99.5	160.1	162.8	-173.6	-109.3	0	0	0	110	R165 K181 D182 I183 Q209	R165-H179 HydrophobicContact CB-CB 4.17Å; H179-K181 PolarHBondContact ND1-N 2.81Å; H179-K181 PolarHBondContact O-N 3.43Å; H179-D182 WeakPolarHBondContact CA-OD2 3.14Å; H179-D182 WeakPolarHBondContact CB-OD2 3.34Å; H179-D182 PolarHBondContact N-OD2 3.45Å; H179-D182 WeakPolarHBondContact O-CB 3.48Å; H179-D182 PolarHBondContact O-N 3.38Å; H179-I183 PolarHBondContact O-N 2.79Å; H179-Q209 PolarHBondContact CE1-OE1 2.92Å
180	I	98.5	Very high	95.8	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-60.5	-32.5	-179.2	-178.9	164.6	0	0	0	112.9	D182 I183 L184 W205 L206 Q209 M262 L279 W284	I180-D182 PolarHBondContact O-N 3.49Å; I180-I183 PolarHBondContact O-N 3.46Å; I180-L184 HydrophobicContact CD1-CD1 4.32Å; I180-L184 HydrophobicContact CG1-CD1 3.79Å; I180-L184 HydrophobicContact CG1-CG 4.26Å; I180-L184 WeakPolarHBondContact O-CB 3.21Å; I180-L184 WeakPolarHBondContact O-CG 3.42Å; I180-L184 PolarHBondContact O-N 2.87Å; I180-W205 HydrophobicContact CD1-CH2 4.03Å; I180-W205 HydrophobicContact CD1-CZ3 4.16Å; I180-W205 HydrophobicContact CG2-CH2 3.74Å; I180-W205 HydrophobicContact CG2-CZ2 3.95Å; I180-L206 HydrophobicContact CD1-CD1 4.13Å; I180-Q209 HydrophobicContact CD1-CB 4.35Å; I180-Q209 HydrophobicContact CD1-CG 4.35Å; I180-Q209 HydrophobicContact CG1-CB 4.14Å; I180-Q209 HydrophobicContact CG1-CG 4.48Å; I180-Q209 HydrophobicContact CG2-CB 3.95Å; I180-Q209 HydrophobicContact CG2-CG 3.69Å; I180-M262 HydrophobicContact CD1-CE 3.98Å; I180-M262 HydrophobicContact CG1-CE 4.22Å; I180-L279 HydrophobicContact CD1-CD2 3.67Å; I180-W284 HydrophobicContact CB-CD2 3.89Å; I180-W284 HydrophobicContact CB-CE3 3.76Å; I180-W284 HydrophobicContact CB-CH2 3.86Å; I180-W284 HydrophobicContact CB-CZ2 3.97Å; I180-W284 HydrophobicContact CB-CZ3 3.75Å; I180-W284 HydrophobicContact CD1-CZ2 4.09Å; I180-W284 HydrophobicContact CG1-CH2 4.44Å; I180-W284 HydrophobicContact CG1-CZ2 4.35Å; I180-W284 HydrophobicContact CG2-CD2 4.07Å; I180-W284 HydrophobicContact CG2-CE3 4.19Å; I180-W284 HydrophobicContact CG2-CG 4.38Å
181	K	98.3	Very high	95.9	Very high	102 Å²	102	36.4 Å²	36.4	44%	0.443	21%	0.206	S	C	.	.	H	α-helix	trans	-60.9	-28	173.3	-69.6	179.7	178.6	176.8	0	112.8	H179 S185 Q209	H179-K181 PolarHBondContact ND1-N 2.81Å; H179-K181 PolarHBondContact O-N 3.43Å; K181-S185 PolarHBondContact O-N 2.96Å; K181-S185 VanDerWaalsContact O-N 3.15Å; K181-Q209 HydrophobicContact CG-CB 4.35Å
182	D	97	Very high	96.1	Very high	28 Å²	28	34.2 Å²	34.2	15%	0.15	19%	0.191	C	C	.	.	H	α-helix	trans	-80.8	-41.6	-177.9	-44.1	-31.5	0	0	0	109.9	L178 H179 I180 L184 S185 F188	L178-D182 HydrophobicContact CD2-CB 4.34Å; H179-D182 WeakPolarHBondContact CA-OD2 3.14Å; H179-D182 WeakPolarHBondContact CB-OD2 3.34Å; H179-D182 PolarHBondContact N-OD2 3.45Å; H179-D182 WeakPolarHBondContact O-CB 3.48Å; H179-D182 PolarHBondContact O-N 3.38Å; I180-D182 PolarHBondContact O-N 3.49Å; D182-L184 VanDerWaalsContact C-N 3.3Å; D182-L184 PolarHBondContact O-N 2.89Å; D182-S185 WeakPolarHBondContact O-CB 3.15Å; D182-S185 PolarHBondContact O-N 2.97Å; D182-S185 VanDerWaalsContact O-N 3.16Å; D182-F188 VanDerWaalsContact O-CD2 3.27Å; D182-F188 WeakPolarHBondContact O-CD2 3.47Å; D182-F188 WeakPolarHBondContact O-CE2 3.47Å
183	I	97.9	Very high	96.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-62.4	-37.5	174.7	-56.9	171	0	0	0	111.4	L178 H179 I180 S185 F188 M262 L264 V273 W284 I291	L178-I183 HydrophobicContact CB-CG1 4.42Å; L178-I183 HydrophobicContact CD1-CG1 4.38Å; H179-I183 PolarHBondContact O-N 2.79Å; I180-I183 PolarHBondContact O-N 3.46Å; I183-S185 VanDerWaalsContact C-N 3.34Å; I183-F188 WeakPolarHBondContact O-CD1 3.13Å; I183-M262 HydrophobicContact CG2-SD 4.07Å; I183-L264 HydrophobicContact CG2-CD1 4.1Å; I183-V273 HydrophobicContact CG2-CG1 4.39Å; I183-V273 HydrophobicContact CG2-CG2 3.99Å; I183-W284 HydrophobicContact CD1-CH2 3.82Å; I183-W284 HydrophobicContact CD1-CZ3 3.97Å; I183-I291 HydrophobicContact CD1-CD1 4.06Å; I183-I291 HydrophobicContact CD1-CG2 4.38Å
184	L	98.3	Very high	96.5	Very high	6 Å²	6	27.8 Å²	27.8	3%	0.031	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	3.7	178.4	-61.3	176.4	0	0	0	113.4	I180 D182 Q209 Y210 P211 M262 L264	I180-L184 HydrophobicContact CD1-CD1 4.32Å; I180-L184 HydrophobicContact CG1-CD1 3.79Å; I180-L184 HydrophobicContact CG1-CG 4.26Å; I180-L184 WeakPolarHBondContact O-CB 3.21Å; I180-L184 WeakPolarHBondContact O-CG 3.42Å; I180-L184 PolarHBondContact O-N 2.87Å; D182-L184 VanDerWaalsContact C-N 3.3Å; D182-L184 PolarHBondContact O-N 2.89Å; L184-Q209 HydrophobicContact CD1-CB 4.15Å; L184-Y210 HydrophobicContact CD1-CD1 4.23Å; L184-Y210 HydrophobicContact CD1-CD2 3.72Å; L184-Y210 HydrophobicContact CD1-CE1 4.3Å; L184-Y210 HydrophobicContact CD1-CE2 3.77Å; L184-Y210 HydrophobicContact CD1-CG 3.95Å; L184-Y210 HydrophobicContact CD2-CD1 4.38Å; L184-Y210 HydrophobicContact CD2-CE1 3.97Å; L184-P211 WeakPolarHBondContact O-CD 3.44Å; L184-P211 WeakPolarHBondContact O-CG 3.37Å; L184-M262 HydrophobicContact CD2-SD 4.41Å; L184-L264 HydrophobicContact CD2-CD1 4.41Å; L184-L264 HydrophobicContact CD2-CD2 3.9Å
185	S	97.4	Very high	96.6	Very high	22 Å²	22	26.2 Å²	26.2	15%	0.154	16%	0.158	C	C	.	.	S	Bend	trans	-64.7	147.9	-176.7	-177.8	0	0	0	0	112	K181 D182 I183 L187 F188	K181-S185 PolarHBondContact O-N 2.96Å; K181-S185 VanDerWaalsContact O-N 3.15Å; D182-S185 WeakPolarHBondContact O-CB 3.15Å; D182-S185 PolarHBondContact O-N 2.97Å; D182-S185 VanDerWaalsContact O-N 3.16Å; I183-S185 VanDerWaalsContact C-N 3.34Å; S185-L187 PolarHBondContact O-N 2.89Å; S185-L187 PolarHBondContact OG-N 3.48Å; S185-F188 PolarHBondContact O-N 3.34Å
186	P	96	Very high	97	Very high	56 Å²	56	22.2 Å²	22.2	36%	0.364	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-11.2	171.8	-18.9	33.6	0	0	0	113.4	F188 P211 E213 F214	P186-F188 VanDerWaalsContact C-N 3.33Å; P186-P211 HydrophobicContact CG-CB 4.12Å; P186-P211 HydrophobicContact CG-CG 4.01Å; P186-E213 WeakPolarHBondContact CG-OE1 3.47Å; P186-F214 HydrophobicContact CB-CE2 4.1Å; P186-F214 HydrophobicContact CB-CZ 3.89Å; P186-F214 HydrophobicContact CG-CE2 3.94Å; P186-F214 HydrophobicContact CG-CZ 4.03Å
187	L	93.3	Very high	97.5	Very high	57 Å²	57	21.2 Å²	21.2	30%	0.298	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-30.3	169.7	-58	-175.8	0	0	0	112.5	I149 W150 S185 G189	I149-L187 HydrophobicContact CD1-CD1 4.39Å; I149-L187 HydrophobicContact CG2-CD1 4.41Å; W150-L187 WeakPolarHBondContact CH2-O 3.45Å; W150-L187 HydrophobicContact CZ2-CB 3.83Å; W150-L187 HydrophobicContact CZ2-CD2 4.13Å; W150-L187 WeakPolarHBondContact CZ2-O 3.38Å; S185-L187 PolarHBondContact O-N 2.89Å; S185-L187 PolarHBondContact OG-N 3.48Å; L187-G189 VanDerWaalsContact C-N 3.35Å
188	F	92.8	Very high	97.6	Very high	5 Å²	5	20.8 Å²	20.8	2%	0.022	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-15.8	-177.5	-84.7	-131.8	0	0	0	113.1	I149 L153 D182 I183 S185 P186 R271 L293	I149-F188 HydrophobicContact CG2-CE2 3.76Å; L153-F188 HydrophobicContact CD1-CD2 4.49Å; L153-F188 HydrophobicContact CD1-CE2 4.03Å; L153-F188 HydrophobicContact CD1-CZ 4.26Å; L153-F188 HydrophobicContact CD2-CZ 4.36Å; D182-F188 VanDerWaalsContact O-CD2 3.27Å; D182-F188 WeakPolarHBondContact O-CD2 3.47Å; D182-F188 WeakPolarHBondContact O-CE2 3.47Å; I183-F188 WeakPolarHBondContact O-CD1 3.13Å; S185-F188 PolarHBondContact O-N 3.34Å; P186-F188 VanDerWaalsContact C-N 3.33Å; F188-R271 PolarHBondContact O-NH2 3.4Å; F188-L293 HydrophobicContact CD1-CD1 4.27Å; F188-L293 HydrophobicContact CD1-CD2 4.33Å; F188-L293 HydrophobicContact CE1-CD1 3.73Å; F188-L293 HydrophobicContact CE1-CD2 3.55Å; F188-L293 HydrophobicContact CE1-CG 4.29Å; F188-L293 HydrophobicContact CZ-CD2 4.22Å
189	G	95.8	Very high	97.6	Very high	6 Å²	6	22.7 Å²	22.7	6%	0.062	12%	0.124	C	C	.	.			trans	151.7	164	176	0	0	0	0	0	112	L187 L191 Y266	L187-G189 VanDerWaalsContact C-N 3.35Å; G189-L191 PolarHBondContact O-N 3.27Å; G189-Y266 WeakPolarHBondContact O-CD1 3.41Å
190	T	98.4	Very high	97.6	Very high	44 Å²	44	23.3 Å²	23.3	27%	0.27	13%	0.13	S	C	.	.			trans	-84.7	95.6	178.5	-54.6	0	0	0	0	109.9	V192 Y266 E267 E268	T190-V192 PolarHBondContact O-N 3.41Å; T190-Y266 CarbonylContact O-C 3.51Å; T190-Y266 WeakPolarHBondContact O-CA 3.47Å; T190-Y266 WeakPolarHBondContact O-CB 3.27Å; T190-E267 HydrophobicContact CG2-CG 4.09Å; T190-E267 WeakPolarHBondContact CG2-OE1 3.49Å; T190-E267 PolarHBondContact O-N 2.73Å; T190-E268 WeakPolarHBondContact CB-OE1 3.44Å; T190-E268 PolarHBondContact N-OE1 3.38Å; T190-E268 PolarHBondContact N-OE2 3.12Å; T190-E268 PolarHBondContact OG1-OE1 2.99Å
191	L	98.8	Very high	97.6	Very high	4 Å²	4	23.9 Å²	23.9	2%	0.021	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	130.3	-166	-165.4	78.1	0	0	0	113.3	G189 Y210 F214 K217 L264 Y266	G189-L191 PolarHBondContact O-N 3.27Å; L191-Y210 HydrophobicContact CD2-CD1 3.9Å; L191-Y210 HydrophobicContact CD2-CE1 3.67Å; L191-F214 HydrophobicContact CB-CB 4.34Å; L191-F214 HydrophobicContact CB-CD1 3.93Å; L191-F214 HydrophobicContact CB-CD2 3.61Å; L191-F214 HydrophobicContact CB-CE1 4.12Å; L191-F214 HydrophobicContact CB-CE2 3.8Å; L191-F214 HydrophobicContact CB-CG 3.7Å; L191-F214 HydrophobicContact CB-CZ 4.07Å; L191-F214 HydrophobicContact CD2-CB 4.12Å; L191-F214 HydrophobicContact CD2-CD2 4.4Å; L191-F214 HydrophobicContact CD2-CG 4.36Å; L191-F214 VanDerWaalsContact N-CZ 3.33Å; L191-K217 HydrophobicContact CD2-CB 4.44Å; L191-K217 VanDerWaalsContact O-CD 3.24Å; L191-K217 WeakPolarHBondContact O-CD 3.2Å; L191-K217 WeakPolarHBondContact O-CE 3.02Å; L191-K217 PolarHBondContact O-NZ 2.87Å; L191-L264 HydrophobicContact CD1-CB 4.24Å; L191-L264 HydrophobicContact CD1-CD2 4.29Å; L191-Y266 HydrophobicContact CB-CD1 4.24Å; L191-Y266 HydrophobicContact CD1-CD1 3.86Å; L191-Y266 HydrophobicContact CD1-CE1 3.81Å
192	V	98.8	Very high	97.6	Very high	56 Å²	56	22 Å²	22	34%	0.339	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	-47	173.2	176.2	0	0	0	0	110.8	T190 P218 L265 E267	T190-V192 PolarHBondContact O-N 3.41Å; V192-P218 WeakPolarHBondContact O-CD 3.29Å; V192-L265 HydrophobicContact CB-CD2 4.48Å; V192-L265 HydrophobicContact CB-CG 4.27Å; V192-L265 HydrophobicContact CG1-CD2 4.3Å; V192-L265 PolarHBondContact N-O 3.3Å; V192-E267 HydrophobicContact CG2-CB 4.47Å; V192-E267 HydrophobicContact CG2-CG 3.6Å
193	S	98.9	Very high	97.7	Very high	25 Å²	25	20.6 Å²	20.6	18%	0.175	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	159.2	-176.9	-174.1	0	0	0	0	110.7	L265 W333	S193-L265 PolarHBondContact N-O 3.04Å; S193-L265 PolarHBondContact O-N 3.42Å; S193-W333 WeakPolarHBondContact OG-CZ2 3.36Å
194	S	98.9	Very high	97.7	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	150.1	173.9	57.6	0	0	0	0	114.1	Y210 P218 I219 L220 L263	S194-Y210 PolarHBondContact OG-OH 3.43Å; S194-P218 PolarHBondContact N-O 3.46Å; S194-I219 CarbonylContact O-C 3.57Å; S194-I219 VanDerWaalsContact O-CA 3.32Å; S194-I219 WeakPolarHBondContact O-CA 3.35Å; S194-L220 PolarHBondContact O-N 2.73Å; S194-L263 CarbonylContact C-O 3.39Å; S194-L263 WeakPolarHBondContact CA-O 3.11Å
195	A	98.9	Very high	97.7	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	138.3	164.9	0	0	0	0	0	110.3	F197 L220 M262 L263 W333	A195-F197 HydrophobicContact CB-CD2 4.43Å; A195-F197 HydrophobicContact CB-CE2 3.87Å; A195-L220 CarbonylContact C-O 3.59Å; A195-L220 WeakPolarHBondContact CA-O 3.44Å; A195-L220 HydrophobicContact CB-CB 4.05Å; A195-L220 HydrophobicContact CB-CD2 4.38Å; A195-M262 WeakPolarHBondContact O-CA 3.27Å; A195-L263 HydrophobicContact CB-CB 4.19Å; A195-L263 HydrophobicContact CB-CD1 4.41Å; A195-L263 HydrophobicContact CB-CG 4.49Å; A195-L263 PolarHBondContact N-O 3.29Å; A195-L263 PolarHBondContact O-N 3.15Å; A195-W333 HydrophobicContact CB-CD2 4.14Å; A195-W333 HydrophobicContact CB-CG 4.5Å; A195-W333 HydrophobicContact CB-CZ2 3.93Å
196	Q	98.9	Very high	97.8	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	97.7	-173.4	-69	-67.7	-6.8	0	0	108.6	F201 Y210 I219 L220 L221 V222 L279	Q196-F201 HydrophobicContact CB-CE1 4.28Å; Q196-F201 WeakPolarHBondContact O-CZ 3.22Å; Q196-Y210 PolarHBondContact NE2-OH 3.05Å; Q196-I219 HydrophobicContact CG-CG2 4.04Å; Q196-L220 PolarHBondContact N-O 3.01Å; Q196-L221 HydrophobicContact CB-CD2 4.04Å; Q196-V222 PolarHBondContact O-N 3.44Å; Q196-L279 HydrophobicContact CB-CD1 3.82Å; Q196-L279 HydrophobicContact CG-CD1 4.16Å
197	F	98.9	Very high	97.9	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	122	176	-62.6	-113.3	0	0	0	108.3	A195 V222 T259 K260 M261 L263 L322 Y325 L330	A195-F197 HydrophobicContact CB-CD2 4.43Å; A195-F197 HydrophobicContact CB-CE2 3.87Å; F197-V222 HydrophobicContact CB-CB 4.31Å; F197-V222 HydrophobicContact CD1-CB 3.61Å; F197-V222 HydrophobicContact CD1-CG1 3.63Å; F197-V222 HydrophobicContact CD1-CG2 3.87Å; F197-V222 HydrophobicContact CD2-CB 4.42Å; F197-V222 HydrophobicContact CD2-CG2 4.08Å; F197-V222 HydrophobicContact CE1-CB 3.97Å; F197-V222 HydrophobicContact CE1-CG1 3.8Å; F197-V222 HydrophobicContact CE1-CG2 3.81Å; F197-V222 HydrophobicContact CE2-CG2 4Å; F197-V222 HydrophobicContact CG-CB 3.85Å; F197-V222 HydrophobicContact CG-CG1 4.38Å; F197-V222 HydrophobicContact CG-CG2 4Å; F197-V222 HydrophobicContact CZ-CG2 3.87Å; F197-T259 CarbonylContact C-O 3.48Å; F197-T259 HydrophobicContact CB-CG2 4.06Å; F197-T259 HydrophobicContact CD1-CG2 4.49Å; F197-K260 WeakPolarHBondContact O-CA 3.36Å; F197-M261 HydrophobicContact CB-CB 4.1Å; F197-M261 HydrophobicContact CD1-CE 4.2Å; F197-M261 HydrophobicContact CD2-CB 4.2Å; F197-M261 HydrophobicContact CD2-CE 3.68Å; F197-M261 WeakPolarHBondContact CD2-O 3.33Å; F197-M261 HydrophobicContact CE1-CE 4.02Å; F197-M261 HydrophobicContact CE2-CE 3.51Å; F197-M261 HydrophobicContact CG-CB 4.3Å; F197-M261 HydrophobicContact CG-CE 4.05Å; F197-M261 HydrophobicContact CZ-CE 3.69Å; F197-M261 PolarHBondContact N-O 3.28Å; F197-M261 PolarHBondContact O-N 2.75Å; F197-L263 HydrophobicContact CE2-CD1 3.83Å; F197-L263 HydrophobicContact CE2-CG 3.99Å; F197-L263 HydrophobicContact CZ-CD1 4.23Å; F197-L322 HydrophobicContact CE1-CD2 3.69Å; F197-L322 HydrophobicContact CE2-CD2 4.47Å; F197-L322 HydrophobicContact CZ-CD2 3.41Å; F197-L322 VanDerWaalsContact CZ-CD2 3.41Å; F197-Y325 HydrophobicContact CD1-CE1 4.46Å; F197-Y325 HydrophobicContact CE1-CE1 4.36Å; F197-L330 HydrophobicContact CE1-CD1 4.13Å; F197-L330 HydrophobicContact CE1-CD2 4.12Å; F197-L330 HydrophobicContact CZ-CD1 4.41Å; F197-L330 HydrophobicContact CZ-CD2 3.62Å
198	N	98.8	Very high	98.2	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.127	C	C	.	.			trans	-156	174.1	174.9	-134.1	-60.6	0	0	0	114.7	F201 V222 H257 T259 K260 S277 N278 L279	N198-F201 HydrophobicContact CB-CD1 4.44Å; N198-F201 HydrophobicContact CB-CD2 4.35Å; N198-F201 HydrophobicContact CB-CE1 3.83Å; N198-F201 HydrophobicContact CB-CE2 3.71Å; N198-F201 HydrophobicContact CB-CZ 3.42Å; N198-F201 VanDerWaalsContact CB-CZ 3.42Å; N198-V222 PolarHBondContact N-O 3.14Å; N198-H257 PolarHBondContact O-CE1 2.81Å; N198-H257 PolarHBondContact O-ND1 3.34Å; N198-T259 VanDerWaalsContact CA-O 3.27Å; N198-T259 WeakPolarHBondContact CA-O 3.24Å; N198-T259 PolarHBondContact N-O 3.34Å; N198-K260 WeakPolarHBondContact OD1-CE 3.32Å; N198-K260 WeakPolarHBondContact OD1-CG 3.41Å; N198-K260 PolarHBondContact OD1-NZ 3.14Å; N198-S277 PolarHBondContact ND2-O 3.27Å; N198-N278 WeakPolarHBondContact OD1-CA 3.49Å; N198-N278 PolarHBondContact OD1-OD1 3.45Å; N198-L279 HydrophobicContact CB-CD1 4.38Å; N198-L279 HydrophobicContact CB-CG 4.37Å
199	Y	97.6	Very high	98.5	Very high	46 Å²	46	24.4 Å²	24.4	18%	0.18	13%	0.129	C	C	.	.	S	Bend	trans	-89.8	-48	170.4	170.3	-114.7	0	0	0	111.5	C84 T256 H257	C84-Y199 PolarHBondContact O-OH 2.73Å; Y199-T256 HydrophobicContact CD2-CG2 3.46Å; Y199-T256 VanDerWaalsContact CD2-CG2 3.46Å; Y199-T256 HydrophobicContact CE2-CG2 3.55Å; Y199-H257 WeakPolarHBondContact CA-O 3.17Å; Y199-H257 WeakPolarHBondContact CB-O 3.43Å
200	C	97.1	Very high	98.6	Very high	33 Å²	33	24.2 Å²	24.2	22%	0.223	13%	0.126	C	C	.	.			trans	-129	141.2	-175.6	-176.6	0	0	0	0	110.9	N278 L279	C200-N278 HydrophobicContact CB-CB 4.23Å; C200-L279 PolarHBondContact O-N 2.81Å
201	F	98.6	Very high	98.6	Very high	11 Å²	11	23 Å²	23	5%	0.048	12%	0.119	C	C	.	.	B	Isolated β-bridge	trans	-137.9	135.3	-173.8	-59.8	-102	0	0	0	110.4	Q196 N198 L206 L221 H223 L233 Q236 L279	Q196-F201 HydrophobicContact CB-CE1 4.28Å; Q196-F201 WeakPolarHBondContact O-CZ 3.22Å; N198-F201 HydrophobicContact CB-CD1 4.44Å; N198-F201 HydrophobicContact CB-CD2 4.35Å; N198-F201 HydrophobicContact CB-CE1 3.83Å; N198-F201 HydrophobicContact CB-CE2 3.71Å; N198-F201 HydrophobicContact CB-CZ 3.42Å; N198-F201 VanDerWaalsContact CB-CZ 3.42Å; F201-L206 HydrophobicContact CD1-CD2 4.32Å; F201-L221 HydrophobicContact CD1-CD1 4.34Å; F201-L221 HydrophobicContact CD1-CD2 4.02Å; F201-L221 HydrophobicContact CE1-CB 4.03Å; F201-L221 HydrophobicContact CE1-CD2 3.83Å; F201-L221 HydrophobicContact CE1-CG 4.35Å; F201-L221 HydrophobicContact CZ-CB 4.25Å; F201-H223 HydrophobicContact CD2-CB 4.48Å; F201-H223 HydrophobicContact CE2-CB 3.67Å; F201-H223 HydrophobicContact CZ-CB 4.31Å; F201-L233 HydrophobicContact CB-CD1 3.82Å; F201-L233 HydrophobicContact CD2-CD1 4.36Å; F201-L233 HydrophobicContact CD2-CD2 4.27Å; F201-L233 HydrophobicContact CG-CD1 4.28Å; F201-Q236 PolarHBondContact O-NE2 3.03Å; F201-Q236 PolarHBondContact O-OE1 2.98Å; F201-L279 HydrophobicContact CD1-CB 4.19Å; F201-L279 HydrophobicContact CD1-CD1 3.88Å; F201-L279 HydrophobicContact CE1-CD1 3.79Å
202	D	98.6	Very high	98.6	Very high	62 Å²	62	27 Å²	27	33%	0.332	15%	0.146	S	C	.	.			trans	-110.5	104.8	155.5	172.1	-14.9	0	0	0	105.5	D204 W205 L206 L279 I280	D202-D204 PolarHBondContact OD1-N 2.88Å; D202-W205 HydrophobicContact CB-CB 3.9Å; D202-W205 PolarHBondContact O-N 3.19Å; D202-W205 WeakPolarHBondContact OD1-CB 3.44Å; D202-W205 PolarHBondContact OD1-N 2.87Å; D202-W205 VanDerWaalsContact OD2-CB 3.29Å; D202-W205 WeakPolarHBondContact OD2-CB 3.47Å; D202-L206 VanDerWaalsContact O-CB 3.22Å; D202-L206 WeakPolarHBondContact O-CB 3.18Å; D202-L206 PolarHBondContact O-N 2.78Å; D202-L279 PolarHBondContact N-O 3.29Å; D202-I280 HydrophobicContact CB-CG2 3.95Å
203	V	98.8	Very high	98.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-69.4	-37.3	-172.7	-176.7	0	0	0	0	111.3	L206 V207 L221 L233 Q236 Y240 I243	V203-L206 PolarHBondContact O-N 3.35Å; V203-V207 HydrophobicContact CG1-CG2 4.3Å; V203-V207 WeakPolarHBondContact O-CG2 3.22Å; V203-V207 PolarHBondContact O-N 2.74Å; V203-L221 HydrophobicContact CG2-CD1 3.86Å; V203-L233 HydrophobicContact CG2-CD1 3.96Å; V203-Q236 HydrophobicContact CB-CB 4.05Å; V203-Q236 HydrophobicContact CG2-CB 3.77Å; V203-Y240 HydrophobicContact CG1-CD2 3.87Å; V203-Y240 HydrophobicContact CG1-CE2 4.04Å; V203-I243 HydrophobicContact CG1-CD1 3.48Å; V203-I243 VanDerWaalsContact CG1-CD1 3.48Å
204	D	98.6	Very high	98.6	Very high	71 Å²	71	29.1 Å²	29.1	38%	0.38	15%	0.149	S	C	.	.	H	α-helix	trans	-63.8	-43	177.4	-97	35.7	0	0	0	111.2	D202 K208 Y240	D202-D204 PolarHBondContact OD1-N 2.88Å; D204-K208 WeakPolarHBondContact O-CD 3.36Å; D204-K208 WeakPolarHBondContact O-CE 3.4Å; D204-K208 WeakPolarHBondContact O-CG 3.26Å; D204-K208 PolarHBondContact O-NZ 2.71Å; D204-Y240 PolarHBondContact OD1-OH 3.38Å
205	W	98.8	Very high	98.5	Very high	24 Å²	24	33 Å²	33	9%	0.091	16%	0.164	C	C	.	.	H	α-helix	trans	-66.4	-46.4	172	175.1	88.8	0	0	0	111.2	I180 D202 V207 K208 Q209 L279 H281 W284	I180-W205 HydrophobicContact CD1-CH2 4.03Å; I180-W205 HydrophobicContact CD1-CZ3 4.16Å; I180-W205 HydrophobicContact CG2-CH2 3.74Å; I180-W205 HydrophobicContact CG2-CZ2 3.95Å; D202-W205 HydrophobicContact CB-CB 3.9Å; D202-W205 PolarHBondContact O-N 3.19Å; D202-W205 WeakPolarHBondContact OD1-CB 3.44Å; D202-W205 PolarHBondContact OD1-N 2.87Å; D202-W205 VanDerWaalsContact OD2-CB 3.29Å; D202-W205 WeakPolarHBondContact OD2-CB 3.47Å; W205-V207 PolarHBondContact O-N 3.17Å; W205-K208 WeakPolarHBondContact O-CB 3.49Å; W205-K208 PolarHBondContact O-N 3.32Å; W205-K208 VanDerWaalsContact O-N 3.12Å; W205-Q209 HydrophobicContact CD2-CG 4.07Å; W205-Q209 HydrophobicContact CE3-CG 4.12Å; W205-Q209 HydrophobicContact CH2-CG 3.91Å; W205-Q209 HydrophobicContact CZ2-CG 3.86Å; W205-Q209 HydrophobicContact CZ3-CG 4.02Å; W205-Q209 WeakPolarHBondContact O-CG 3.44Å; W205-Q209 PolarHBondContact O-N 2.95Å; W205-Q209 PolarHBondContact O-NE2 2.75Å; W205-L279 HydrophobicContact CZ3-CB 4.25Å; W205-H281 HydrophobicContact CG-CB 4.48Å; W205-H281 AromaticContact NE1-CD2 3.92Å; W205-W284 AromaticContact CH2-CD1 3.39Å; W205-W284 AromaticContact CH2-CG 3.94Å; W205-W284 HydrophobicContact CH2-CG 3.94Å; W205-W284 AromaticContact CH2-NE1 3.74Å; W205-W284 HydrophobicContact CZ2-CB 4.31Å; W205-W284 AromaticContact CZ2-CD1 3.98Å; W205-W284 HydrophobicContact CZ2-CG 4.23Å
206	L	98.8	Very high	98.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-58.3	-48.9	-177.3	176.1	58.6	0	0	0	111.6	I180 F201 D202 V203 K208 Q209 Y210 L221 L279	I180-L206 HydrophobicContact CD1-CD1 4.13Å; F201-L206 HydrophobicContact CD1-CD2 4.32Å; D202-L206 VanDerWaalsContact O-CB 3.22Å; D202-L206 WeakPolarHBondContact O-CB 3.18Å; D202-L206 PolarHBondContact O-N 2.78Å; V203-L206 PolarHBondContact O-N 3.35Å; L206-K208 PolarHBondContact O-N 2.77Å; L206-Q209 WeakPolarHBondContact O-CB 3.37Å; L206-Q209 PolarHBondContact O-N 3.36Å; L206-Y210 HydrophobicContact CD1-CE2 3.98Å; L206-Y210 HydrophobicContact CG-CE2 4.19Å; L206-Y210 WeakPolarHBondContact O-CD2 3.46Å; L206-L221 HydrophobicContact CD2-CD2 3.85Å; L206-L279 HydrophobicContact CD1-CB 4.36Å; L206-L279 HydrophobicContact CD1-CD1 3.95Å; L206-L279 HydrophobicContact CD1-CD2 4.2Å; L206-L279 HydrophobicContact CD1-CG 4.37Å; L206-L279 HydrophobicContact CD2-CB 4.47Å; L206-L279 HydrophobicContact CD2-CD1 3.82Å
207	V	98.8	Very high	98.5	Very high	8 Å²	8	42.3 Å²	42.3	5%	0.048	20%	0.204	C	C	.	.	H	α-helix	trans	-62.6	-31.3	179	175.6	0	0	0	0	111.7	V203 W205 Q209 Y210 R215 Y240 I243	V203-V207 HydrophobicContact CG1-CG2 4.3Å; V203-V207 WeakPolarHBondContact O-CG2 3.22Å; V203-V207 PolarHBondContact O-N 2.74Å; W205-V207 PolarHBondContact O-N 3.17Å; V207-Q209 PolarHBondContact O-N 3.28Å; V207-Y210 PolarHBondContact O-N 2.82Å; V207-R215 HydrophobicContact CG1-CB 4.16Å; V207-R215 HydrophobicContact CG1-CG 4.08Å; V207-R215 WeakPolarHBondContact O-CD 3.42Å; V207-R215 WeakPolarHBondContact O-CG 3.4Å; V207-R215 PolarHBondContact O-NE 3.13Å; V207-Y240 HydrophobicContact CB-CE1 4.05Å; V207-Y240 HydrophobicContact CG1-CD1 4.19Å; V207-Y240 HydrophobicContact CG1-CE1 3.73Å; V207-Y240 HydrophobicContact CG2-CD1 4.05Å; V207-Y240 HydrophobicContact CG2-CD2 4.47Å; V207-Y240 HydrophobicContact CG2-CE1 3.96Å; V207-Y240 HydrophobicContact CG2-CE2 4.38Å; V207-Y240 HydrophobicContact CG2-CG 4.3Å; V207-I243 HydrophobicContact CG2-CD1 3.81Å
208	K	98.7	Very high	98.5	Very high	111 Å²	111	45.7 Å²	45.7	48%	0.483	23%	0.226	S	C	.	.	H	α-helix	trans	-67.8	-22.3	174.2	-66.3	160	-163.8	156.2	0	112.8	D204 W205 L206 R215	D204-K208 WeakPolarHBondContact O-CD 3.36Å; D204-K208 WeakPolarHBondContact O-CE 3.4Å; D204-K208 WeakPolarHBondContact O-CG 3.26Å; D204-K208 PolarHBondContact O-NZ 2.71Å; W205-K208 WeakPolarHBondContact O-CB 3.49Å; W205-K208 PolarHBondContact O-N 3.32Å; W205-K208 VanDerWaalsContact O-N 3.12Å; L206-K208 PolarHBondContact O-N 2.77Å; K208-R215 PolarHBondContact O-NH2 3.18Å
209	Q	98.8	Very high	98.5	Very high	12 Å²	12	45.9 Å²	45.9	6%	0.056	23%	0.227	C	C	.	.	H	α-helix	trans	-77.3	-27.5	177.7	-48.3	-43.5	-55.2	0	0	113.3	H179 I180 K181 L184 W205 L206 V207	H179-Q209 PolarHBondContact CE1-OE1 2.92Å; I180-Q209 HydrophobicContact CD1-CB 4.35Å; I180-Q209 HydrophobicContact CD1-CG 4.35Å; I180-Q209 HydrophobicContact CG1-CB 4.14Å; I180-Q209 HydrophobicContact CG1-CG 4.48Å; I180-Q209 HydrophobicContact CG2-CB 3.95Å; I180-Q209 HydrophobicContact CG2-CG 3.69Å; K181-Q209 HydrophobicContact CG-CB 4.35Å; L184-Q209 HydrophobicContact CD1-CB 4.15Å; W205-Q209 HydrophobicContact CD2-CG 4.07Å; W205-Q209 HydrophobicContact CE3-CG 4.12Å; W205-Q209 HydrophobicContact CH2-CG 3.91Å; W205-Q209 HydrophobicContact CZ2-CG 3.86Å; W205-Q209 HydrophobicContact CZ3-CG 4.02Å; W205-Q209 WeakPolarHBondContact O-CG 3.44Å; W205-Q209 PolarHBondContact O-N 2.95Å; W205-Q209 PolarHBondContact O-NE2 2.75Å; L206-Q209 WeakPolarHBondContact O-CB 3.37Å; L206-Q209 PolarHBondContact O-N 3.36Å; V207-Q209 PolarHBondContact O-N 3.28Å
210	Y	98.8	Very high	98.6	Very high	1 Å²	1	44.2 Å²	44.2	0%	0.004	22%	0.221	C	C	.	.	S	Bend	trans	-68.2	140.4	171.2	-73.7	-104.1	0	0	0	110	L184 L191 S194 Q196 L206 V207 F214 R215 I219	L184-Y210 HydrophobicContact CD1-CD1 4.23Å; L184-Y210 HydrophobicContact CD1-CD2 3.72Å; L184-Y210 HydrophobicContact CD1-CE1 4.3Å; L184-Y210 HydrophobicContact CD1-CE2 3.77Å; L184-Y210 HydrophobicContact CD1-CG 3.95Å; L184-Y210 HydrophobicContact CD2-CD1 4.38Å; L184-Y210 HydrophobicContact CD2-CE1 3.97Å; L191-Y210 HydrophobicContact CD2-CD1 3.9Å; L191-Y210 HydrophobicContact CD2-CE1 3.67Å; S194-Y210 PolarHBondContact OG-OH 3.43Å; Q196-Y210 PolarHBondContact NE2-OH 3.05Å; L206-Y210 HydrophobicContact CD1-CE2 3.98Å; L206-Y210 HydrophobicContact CG-CE2 4.19Å; L206-Y210 WeakPolarHBondContact O-CD2 3.46Å; V207-Y210 PolarHBondContact O-N 2.82Å; Y210-F214 HydrophobicContact CD1-CB 4.31Å; Y210-R215 PolarHBondContact O-NE 3.16Å; Y210-R215 PolarHBondContact O-NH2 2.85Å; Y210-I219 HydrophobicContact CD2-CD1 4.2Å; Y210-I219 HydrophobicContact CE1-CD1 4.21Å; Y210-I219 HydrophobicContact CE1-CG1 4.44Å; Y210-I219 HydrophobicContact CE2-CD1 3.78Å
211	P	98.4	Very high	98.7	Very high	18 Å²	18	42.6 Å²	42.6	12%	0.117	21%	0.21	C	C	.	.			trans	-53.4	143.4	167.9	-25.9	33.8	0	0	0	111.7	L184 P186 E213 F214 R215	L184-P211 WeakPolarHBondContact O-CD 3.44Å; L184-P211 WeakPolarHBondContact O-CG 3.37Å; P186-P211 HydrophobicContact CG-CB 4.12Å; P186-P211 HydrophobicContact CG-CG 4.01Å; P211-E213 HydrophobicContact CB-CG 4.13Å; P211-E213 VanDerWaalsContact CB-OE2 3.24Å; P211-E213 WeakPolarHBondContact CB-OE2 3.49Å; P211-E213 PolarHBondContact O-N 2.87Å; P211-E213 VanDerWaalsContact O-N 3.1Å; P211-F214 HydrophobicContact CB-CD2 4.09Å; P211-F214 HydrophobicContact CB-CG 4.4Å; P211-F214 HydrophobicContact CG-CD2 3.74Å; P211-F214 HydrophobicContact CG-CE2 4.17Å; P211-F214 HydrophobicContact CG-CG 4.5Å; P211-F214 WeakPolarHBondContact O-CA 3.46Å; P211-F214 PolarHBondContact O-N 3.17Å; P211-R215 WeakPolarHBondContact O-CG 3.43Å; P211-R215 PolarHBondContact O-N 2.93Å
212	P	98.4	Very high	98.7	Very high	90 Å²	90	42.1 Å²	42.1	58%	0.584	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-47	-41.1	-177.6	-29.9	35.3	0	0	0	115.1	F214 R215	P212-F214 VanDerWaalsContact C-N 3.26Å; P212-F214 PolarHBondContact O-N 3.4Å; P212-R215 PolarHBondContact O-N 3.29Å
213	E	98.1	Very high	98.7	Very high	114 Å²	114	39.1 Å²	39.1	53%	0.533	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-22.4	176.9	58.7	-93.3	-122.7	0	0	114.2	P186 P211	P186-E213 WeakPolarHBondContact CG-OE1 3.47Å; P211-E213 HydrophobicContact CB-CG 4.13Å; P211-E213 VanDerWaalsContact CB-OE2 3.24Å; P211-E213 WeakPolarHBondContact CB-OE2 3.49Å; P211-E213 PolarHBondContact O-N 2.87Å; P211-E213 VanDerWaalsContact O-N 3.1Å
214	F	98.6	Very high	98.6	Very high	10 Å²	10	39.7 Å²	39.7	4%	0.044	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103	-14.5	-178.5	-61.1	-16.7	0	0	0	113.4	P186 L191 Y210 P211 P212 K216 K217	P186-F214 HydrophobicContact CB-CE2 4.1Å; P186-F214 HydrophobicContact CB-CZ 3.89Å; P186-F214 HydrophobicContact CG-CE2 3.94Å; P186-F214 HydrophobicContact CG-CZ 4.03Å; L191-F214 HydrophobicContact CB-CB 4.34Å; L191-F214 HydrophobicContact CB-CD1 3.93Å; L191-F214 HydrophobicContact CB-CD2 3.61Å; L191-F214 HydrophobicContact CB-CE1 4.12Å; L191-F214 HydrophobicContact CB-CE2 3.8Å; L191-F214 HydrophobicContact CB-CG 3.7Å; L191-F214 HydrophobicContact CB-CZ 4.07Å; L191-F214 HydrophobicContact CD2-CB 4.12Å; L191-F214 HydrophobicContact CD2-CD2 4.4Å; L191-F214 HydrophobicContact CD2-CG 4.36Å; L191-F214 VanDerWaalsContact N-CZ 3.33Å; Y210-F214 HydrophobicContact CD1-CB 4.31Å; P211-F214 HydrophobicContact CB-CD2 4.09Å; P211-F214 HydrophobicContact CB-CG 4.4Å; P211-F214 HydrophobicContact CG-CD2 3.74Å; P211-F214 HydrophobicContact CG-CE2 4.17Å; P211-F214 HydrophobicContact CG-CG 4.5Å; P211-F214 WeakPolarHBondContact O-CA 3.46Å; P211-F214 PolarHBondContact O-N 3.17Å; P212-F214 VanDerWaalsContact C-N 3.26Å; P212-F214 PolarHBondContact O-N 3.4Å; F214-K216 PolarHBondContact O-N 2.86Å; F214-K217 HydrophobicContact CB-CG 4.38Å; F214-K217 WeakPolarHBondContact O-CB 3.32Å; F214-K217 WeakPolarHBondContact O-CG 3.46Å; F214-K217 PolarHBondContact O-N 3.36Å
215	R	98.4	Very high	98.5	Very high	83 Å²	83	38 Å²	38	31%	0.313	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-16.8	-176.1	-72	-180	-173	158.2	1.3	116	V207 K208 Y210 P211 P212 N242	V207-R215 HydrophobicContact CG1-CB 4.16Å; V207-R215 HydrophobicContact CG1-CG 4.08Å; V207-R215 WeakPolarHBondContact O-CD 3.42Å; V207-R215 WeakPolarHBondContact O-CG 3.4Å; V207-R215 PolarHBondContact O-NE 3.13Å; K208-R215 PolarHBondContact O-NH2 3.18Å; Y210-R215 PolarHBondContact O-NE 3.16Å; Y210-R215 PolarHBondContact O-NH2 2.85Å; P211-R215 WeakPolarHBondContact O-CG 3.43Å; P211-R215 PolarHBondContact O-N 2.93Å; P212-R215 PolarHBondContact O-N 3.29Å; R215-N242 PolarHBondContact O-ND2 3.42Å
216	K	98.5	Very high	98.3	Very high	138 Å²	138	41.5 Å²	41.5	60%	0.6	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.5	3.8	177.7	-70.3	-61.3	-169.4	174.8	0	114.4	F214 N242	F214-K216 PolarHBondContact O-N 2.86Å; K216-N242 WeakPolarHBondContact CD-OD1 3.05Å
217	K	98.8	Very high	98.1	Very high	57 Å²	57	51.2 Å²	51.2	25%	0.248	24%	0.241	C	C	.	.	S	Bend	trans	-69.4	155.4	168.3	-58.1	-73.4	178.9	137.2	0	109.4	L191 F214 N242	L191-K217 HydrophobicContact CD2-CB 4.44Å; L191-K217 VanDerWaalsContact O-CD 3.24Å; L191-K217 WeakPolarHBondContact O-CD 3.2Å; L191-K217 WeakPolarHBondContact O-CE 3.02Å; L191-K217 PolarHBondContact O-NZ 2.87Å; F214-K217 HydrophobicContact CB-CG 4.38Å; F214-K217 WeakPolarHBondContact O-CB 3.32Å; F214-K217 WeakPolarHBondContact O-CG 3.46Å; F214-K217 PolarHBondContact O-N 3.36Å; K217-N242 PolarHBondContact O-ND2 3.47Å
218	P	98.9	Very high	98	Very high	71 Å²	71	57.8 Å²	57.8	46%	0.461	27%	0.271	S	S	.	.			trans	-60.7	137.5	177.7	-24.2	35.4	0	0	0	112.8	V192 S194 N242	V192-P218 WeakPolarHBondContact O-CD 3.29Å; S194-P218 PolarHBondContact N-O 3.46Å; P218-N242 WeakPolarHBondContact CA-O 3.35Å
219	I	98.9	Very high	97.8	Very high	3 Å²	3	54.1 Å²	54.1	2%	0.015	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	123.8	174.6	-50.4	175	0	0	0	108.6	S194 Q196 Y210 L221 N242 I243 S244	S194-I219 CarbonylContact O-C 3.57Å; S194-I219 VanDerWaalsContact O-CA 3.32Å; S194-I219 WeakPolarHBondContact O-CA 3.35Å; Q196-I219 HydrophobicContact CG-CG2 4.04Å; Y210-I219 HydrophobicContact CD2-CD1 4.2Å; Y210-I219 HydrophobicContact CE1-CD1 4.21Å; Y210-I219 HydrophobicContact CE1-CG1 4.44Å; Y210-I219 HydrophobicContact CE2-CD1 3.78Å; I219-L221 HydrophobicContact CG2-CD2 3.87Å; I219-N242 PolarHBondContact N-O 2.97Å; I219-I243 HydrophobicContact CB-CG1 4.27Å; I219-I243 HydrophobicContact CD1-CG1 4.49Å; I219-I243 WeakPolarHBondContact O-CA 3.35Å; I219-S244 PolarHBondContact O-N 2.86Å
220	L	98.9	Very high	97.7	Very high	11 Å²	11	56.4 Å²	56.4	6%	0.058	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	112.4	173.6	-178.7	66.2	0	0	0	110.5	S194 A195 Q196 V222 S244 C246 L330	S194-L220 PolarHBondContact O-N 2.73Å; A195-L220 CarbonylContact C-O 3.59Å; A195-L220 WeakPolarHBondContact CA-O 3.44Å; A195-L220 HydrophobicContact CB-CB 4.05Å; A195-L220 HydrophobicContact CB-CD2 4.38Å; Q196-L220 PolarHBondContact N-O 3.01Å; L220-V222 HydrophobicContact CD2-CG2 4.24Å; L220-V222 HydrophobicContact CG-CG2 4.15Å; L220-S244 CarbonylContact C-O 3.54Å; L220-S244 WeakPolarHBondContact CA-O 3.41Å; L220-C246 HydrophobicContact CD1-CB 4.01Å; L220-C246 HydrophobicContact CG-CB 4.36Å; L220-L330 HydrophobicContact CD2-CD2 3.82Å
221	L	98.9	Very high	97.7	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	116.7	173.5	-51.1	-175.9	0	0	0	109.8	Q196 F201 V203 L206 I219 I243 S244 L245 C246	Q196-L221 HydrophobicContact CB-CD2 4.04Å; F201-L221 HydrophobicContact CD1-CD1 4.34Å; F201-L221 HydrophobicContact CD1-CD2 4.02Å; F201-L221 HydrophobicContact CE1-CB 4.03Å; F201-L221 HydrophobicContact CE1-CD2 3.83Å; F201-L221 HydrophobicContact CE1-CG 4.35Å; F201-L221 HydrophobicContact CZ-CB 4.25Å; V203-L221 HydrophobicContact CG2-CD1 3.86Å; L206-L221 HydrophobicContact CD2-CD2 3.85Å; I219-L221 HydrophobicContact CG2-CD2 3.87Å; L221-I243 HydrophobicContact CD1-CG2 3.73Å; L221-I243 HydrophobicContact CD2-CG2 4.47Å; L221-I243 HydrophobicContact CG-CG2 3.72Å; L221-S244 PolarHBondContact N-O 3.48Å; L221-L245 CarbonylContact O-C 3.46Å; L221-L245 WeakPolarHBondContact O-CA 3.36Å; L221-C246 PolarHBondContact O-N 2.7Å
222	V	98.9	Very high	97.6	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	116.7	177.7	-167.1	0	0	0	0	109	Q196 F197 N198 L220 C246 H257 Y325 L330	Q196-V222 PolarHBondContact O-N 3.44Å; F197-V222 HydrophobicContact CB-CB 4.31Å; F197-V222 HydrophobicContact CD1-CB 3.61Å; F197-V222 HydrophobicContact CD1-CG1 3.63Å; F197-V222 HydrophobicContact CD1-CG2 3.87Å; F197-V222 HydrophobicContact CD2-CB 4.42Å; F197-V222 HydrophobicContact CD2-CG2 4.08Å; F197-V222 HydrophobicContact CE1-CB 3.97Å; F197-V222 HydrophobicContact CE1-CG1 3.8Å; F197-V222 HydrophobicContact CE1-CG2 3.81Å; F197-V222 HydrophobicContact CE2-CG2 4Å; F197-V222 HydrophobicContact CG-CB 3.85Å; F197-V222 HydrophobicContact CG-CG1 4.38Å; F197-V222 HydrophobicContact CG-CG2 4Å; F197-V222 HydrophobicContact CZ-CG2 3.87Å; N198-V222 PolarHBondContact N-O 3.14Å; L220-V222 HydrophobicContact CD2-CG2 4.24Å; L220-V222 HydrophobicContact CG-CG2 4.15Å; V222-C246 WeakPolarHBondContact CA-O 3.38Å; V222-C246 HydrophobicContact CB-CB 4.43Å; V222-C246 HydrophobicContact CG1-CB 4.21Å; V222-C246 HydrophobicContact CG2-CB 4.13Å; V222-H257 PolarHBondContact O-CE1 3.41Å; V222-Y325 HydrophobicContact CG1-CD1 4.24Å; V222-Y325 HydrophobicContact CG1-CE1 3.86Å; V222-L330 HydrophobicContact CG1-CD1 4.39Å; V222-L330 HydrophobicContact CG2-CD2 4.03Å
223	H	98.8	Very high	97.6	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	161	-162.8	79.5	112	0	0	0	112.5	F201 D225 L233 C246 Q247 A248	F201-H223 HydrophobicContact CD2-CB 4.48Å; F201-H223 HydrophobicContact CE2-CB 3.67Å; F201-H223 HydrophobicContact CZ-CB 4.31Å; H223-D225 IonicContact CE1-OD2 3.17Å; H223-D225 IonicContact CG-OD2 2.79Å; H223-D225 PolarHBondContact ND1-N 3.15Å; H223-D225 IonicContact ND1-OD2 2.73Å; H223-D225 PolarHBondContact ND1-OD2 3.37Å; H223-L233 HydrophobicContact CB-CD2 3.86Å; H223-L233 WeakPolarHBondContact ND1-CD2 3.48Å; H223-C246 PolarHBondContact CD2-O 2.78Å; H223-C246 PolarHBondContact N-O 2.81Å; H223-Q247 WeakPolarHBondContact O-CA 3.23Å; H223-A248 PolarHBondContact O-N 3.36Å
224	G	98.1	Very high	97.6	Very high	11 Å²	11	57.5 Å²	57.5	11%	0.113	28%	0.277	C	S	.	.			trans	-100.3	-6.3	-177.1	0	0	0	0	0	115.8	L250	G224-L250 WeakPolarHBondContact O-CD1 3.5Å
225	D	96.2	Very high	97.6	Very high	37 Å²	37	60 Å²	60	20%	0.198	30%	0.3	C	S	.	.			trans	-64.1	153.4	-164.3	-52.1	-69.5	0	0	0	113.8	H223 A229 K230 Q247	H223-D225 IonicContact CE1-OD2 3.17Å; H223-D225 IonicContact CG-OD2 2.79Å; H223-D225 PolarHBondContact ND1-N 3.15Å; H223-D225 IonicContact ND1-OD2 2.73Å; H223-D225 PolarHBondContact ND1-OD2 3.37Å; D225-A229 HydrophobicContact CB-CB 4.04Å; D225-K230 HydrophobicContact CB-CB 4.11Å; D225-Q247 PolarHBondContact O-NE2 2.99Å
226	K	94	Very high	97.6	Very high	96 Å²	96	58.2 Å²	58.2	42%	0.417	30%	0.295	S	S	.	.			trans	-130.6	163.3	176.7	-61.3	178	-177.3	174.8	0	109.3	E228 A229 K230 L250	K226-E228 PolarHBondContact O-N 3.06Å; K226-A229 PolarHBondContact O-N 3.37Å; K226-K230 PolarHBondContact O-N 2.9Å; K226-K230 VanDerWaalsContact O-N 3.15Å; K226-L250 PolarHBondContact NZ-O 2.84Å
227	R	95.3	Very high	97.6	Very high	205 Å²	205	51.8 Å²	51.8	77%	0.774	27%	0.268	S	S	*	.	H	α-helix	trans	48.8	-122.3	170	-49	-178.8	-170.9	-150	2.7	112.8	K230 A231	R227-K230 WeakPolarHBondContact O-CB 3.5Å; R227-K230 PolarHBondContact O-N 3.16Å; R227-A231 PolarHBondContact O-N 2.85Å
228	E	94.8	Very high	97.6	Very high	146 Å²	146	57.6 Å²	57.6	68%	0.682	29%	0.293	S	S	*	.	H	α-helix	trans	-65.1	-43.2	-174.5	-59.2	67.9	-139.6	0	0	111.9	K226 K230 A231 H232	K226-E228 PolarHBondContact O-N 3.06Å; E228-K230 VanDerWaalsContact C-N 3.32Å; E228-K230 PolarHBondContact O-N 3.43Å; E228-A231 WeakPolarHBondContact O-CB 3.42Å; E228-A231 PolarHBondContact O-N 2.94Å; E228-A231 VanDerWaalsContact O-N 3.12Å; E228-H232 PolarHBondContact O-N 2.98Å
229	A	95.5	Very high	97.6	Very high	34 Å²	34	58.4 Å²	58.4	28%	0.281	30%	0.299	S	S	.	.	H	α-helix	trans	-62.1	-39.3	176	0	0	0	0	0	111.8	D225 K226 H232 L233	D225-A229 HydrophobicContact CB-CB 4.04Å; K226-A229 PolarHBondContact O-N 3.37Å; A229-H232 PolarHBondContact O-N 3.1Å; A229-L233 PolarHBondContact O-N 2.91Å
230	K	96.9	Very high	97.6	Very high	60 Å²	60	60.4 Å²	60.4	26%	0.261	31%	0.306	S	S	.	.	H	α-helix	trans	-62.7	-45.8	171.8	175.3	173	-176.9	-177	0	111.3	D225 K226 R227 E228 H232 L233 H234	D225-K230 HydrophobicContact CB-CB 4.11Å; K226-K230 PolarHBondContact O-N 2.9Å; K226-K230 VanDerWaalsContact O-N 3.15Å; R227-K230 WeakPolarHBondContact O-CB 3.5Å; R227-K230 PolarHBondContact O-N 3.16Å; E228-K230 VanDerWaalsContact C-N 3.32Å; E228-K230 PolarHBondContact O-N 3.43Å; K230-H232 VanDerWaalsContact C-N 3.28Å; K230-H232 PolarHBondContact O-N 2.85Å; K230-L233 PolarHBondContact O-N 2.88Å; K230-H234 WeakPolarHBondContact CE-NE2 3.45Å; K230-H234 PolarHBondContact O-CD2 2.86Å; K230-H234 VanDerWaalsContact O-CD2 3.31Å; K230-H234 PolarHBondContact O-N 2.83Å
231	A	97.6	Very high	97.5	Very high	61 Å²	61	68.7 Å²	68.7	50%	0.504	35%	0.345	S	S	.	.	H	α-helix	trans	-60.7	-38.5	178.6	0	0	0	0	0	111.9	R227 E228 A235	R227-A231 PolarHBondContact O-N 2.85Å; E228-A231 WeakPolarHBondContact O-CB 3.42Å; E228-A231 PolarHBondContact O-N 2.94Å; E228-A231 VanDerWaalsContact O-N 3.12Å; A231-A235 WeakPolarHBondContact O-CB 3.33Å; A231-A235 PolarHBondContact O-N 3.33Å
232	H	98	Very high	97.5	Very high	93 Å²	93	69.8 Å²	69.8	43%	0.431	35%	0.351	S	S	.	.	H	α-helix	trans	-63.5	-47.8	174.2	-177.9	86.9	0	0	0	112.5	E228 A229 K230 H234 A235 Q236	E228-H232 PolarHBondContact O-N 2.98Å; A229-H232 PolarHBondContact O-N 3.1Å; K230-H232 VanDerWaalsContact C-N 3.28Å; K230-H232 PolarHBondContact O-N 2.85Å; H232-H234 PolarHBondContact O-N 2.85Å; H232-A235 WeakPolarHBondContact O-CA 3.5Å; H232-A235 WeakPolarHBondContact O-CB 3.46Å; H232-A235 PolarHBondContact O-N 2.84Å; H232-Q236 PolarHBondContact CD2-NE2 2.92Å; H232-Q236 PolarHBondContact NE2-NE2 2.9Å; H232-Q236 PolarHBondContact O-N 2.8Å
233	L	98.2	Very high	97.5	Very high	7 Å²	7	70.5 Å²	70.5	4%	0.037	35%	0.354	C	S	.	.	H	α-helix	trans	-63.9	-39.6	177.4	-174.6	64.5	0	0	0	112.4	F201 V203 H223 A229 K230 A235 Q236 A237 L245	F201-L233 HydrophobicContact CB-CD1 3.82Å; F201-L233 HydrophobicContact CD2-CD1 4.36Å; F201-L233 HydrophobicContact CD2-CD2 4.27Å; F201-L233 HydrophobicContact CG-CD1 4.28Å; V203-L233 HydrophobicContact CG2-CD1 3.96Å; H223-L233 HydrophobicContact CB-CD2 3.86Å; H223-L233 WeakPolarHBondContact ND1-CD2 3.48Å; A229-L233 PolarHBondContact O-N 2.91Å; K230-L233 PolarHBondContact O-N 2.88Å; L233-A235 VanDerWaalsContact C-N 3.26Å; L233-A235 PolarHBondContact O-N 3.45Å; L233-Q236 PolarHBondContact O-N 3.14Å; L233-A237 WeakPolarHBondContact O-CB 3.31Å; L233-A237 PolarHBondContact O-N 3.48Å; L233-L245 HydrophobicContact CD2-CD2 4.04Å; L233-L245 HydrophobicContact CG-CD2 3.93Å
234	H	98.4	Very high	97.5	Very high	84 Å²	84	74.1 Å²	74.1	39%	0.389	38%	0.379	S	S	.	.	H	α-helix	trans	-61.6	-34	171.6	-87.8	-87.4	0	0	0	112.3	K230 H232 K238	K230-H234 WeakPolarHBondContact CE-NE2 3.45Å; K230-H234 PolarHBondContact O-CD2 2.86Å; K230-H234 VanDerWaalsContact O-CD2 3.31Å; K230-H234 PolarHBondContact O-N 2.83Å; H232-H234 PolarHBondContact O-N 2.85Å; H234-K238 WeakPolarHBondContact O-CB 3.49Å; H234-K238 PolarHBondContact O-N 2.74Å; H234-K238 VanDerWaalsContact O-N 3.15Å
235	A	98.5	Very high	97.5	Very high	63 Å²	63	75.7 Å²	75.7	52%	0.521	39%	0.385	S	S	.	.	H	α-helix	trans	-70.6	-41.2	175.3	0	0	0	0	0	112.3	A231 H232 L233 A237 K238	A231-A235 WeakPolarHBondContact O-CB 3.33Å; A231-A235 PolarHBondContact O-N 3.33Å; H232-A235 WeakPolarHBondContact O-CA 3.5Å; H232-A235 WeakPolarHBondContact O-CB 3.46Å; H232-A235 PolarHBondContact O-N 2.84Å; L233-A235 VanDerWaalsContact C-N 3.26Å; L233-A235 PolarHBondContact O-N 3.45Å; A235-A237 VanDerWaalsContact C-N 3.35Å; A235-K238 PolarHBondContact O-N 3.36Å
236	Q	98.4	Very high	97.7	Very high	45 Å²	45	74.2 Å²	74.2	21%	0.21	38%	0.378	C	S	.	.	H	α-helix	trans	-61.4	-40.1	172.8	-70.3	-168	29.1	0	0	112.5	F201 V203 H232 L233 P239	F201-Q236 PolarHBondContact O-NE2 3.03Å; F201-Q236 PolarHBondContact O-OE1 2.98Å; V203-Q236 HydrophobicContact CB-CB 4.05Å; V203-Q236 HydrophobicContact CG2-CB 3.77Å; H232-Q236 PolarHBondContact CD2-NE2 2.92Å; H232-Q236 PolarHBondContact NE2-NE2 2.9Å; H232-Q236 PolarHBondContact O-N 2.8Å; L233-Q236 PolarHBondContact O-N 3.14Å; Q236-P239 WeakPolarHBondContact O-CD 3.49Å
237	A	98.3	Very high	97.9	Very high	4 Å²	4	73.2 Å²	73.2	3%	0.033	37%	0.374	C	S	.	.	H	α-helix	trans	-75.9	-24.9	-178.7	0	0	0	0	0	113.8	L233 A235 P239 Y240 I243 L245	L233-A237 WeakPolarHBondContact O-CB 3.31Å; L233-A237 PolarHBondContact O-N 3.48Å; A235-A237 VanDerWaalsContact C-N 3.35Å; A237-P239 VanDerWaalsContact O-N 3.17Å; A237-Y240 PolarHBondContact O-N 3.34Å; A237-I243 HydrophobicContact CB-CG2 4.02Å; A237-L245 HydrophobicContact CB-CD1 3.85Å; A237-L245 HydrophobicContact CB-CD2 4.49Å
238	K	98.3	Very high	98	Very high	178 Å²	178	63.6 Å²	63.6	77%	0.774	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-34.3	-173.7	-172.3	176.4	177.6	-176.8	0	116.4	H234 A235 Y240	H234-K238 WeakPolarHBondContact O-CB 3.49Å; H234-K238 PolarHBondContact O-N 2.74Å; H234-K238 VanDerWaalsContact O-N 3.15Å; A235-K238 PolarHBondContact O-N 3.36Å; K238-Y240 PolarHBondContact O-N 3.18Å
239	P	98.6	Very high	98.1	Very high	89 Å²	89	61 Å²	61	58%	0.578	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-9.9	176	-20.1	34.6	0	0	0	114.6	Q236 A237	Q236-P239 WeakPolarHBondContact O-CD 3.49Å; A237-P239 VanDerWaalsContact O-N 3.17Å
240	Y	98.6	Very high	98.1	Very high	44 Å²	44	59.7 Å²	59.7	17%	0.173	31%	0.314	C	S	.	.			trans	-118.7	89.2	-171.5	-57.9	-79.5	0	0	0	111	V203 D204 V207 A237 K238 N242 I243	V203-Y240 HydrophobicContact CG1-CD2 3.87Å; V203-Y240 HydrophobicContact CG1-CE2 4.04Å; D204-Y240 PolarHBondContact OD1-OH 3.38Å; V207-Y240 HydrophobicContact CB-CE1 4.05Å; V207-Y240 HydrophobicContact CG1-CD1 4.19Å; V207-Y240 HydrophobicContact CG1-CE1 3.73Å; V207-Y240 HydrophobicContact CG2-CD1 4.05Å; V207-Y240 HydrophobicContact CG2-CD2 4.47Å; V207-Y240 HydrophobicContact CG2-CE1 3.96Å; V207-Y240 HydrophobicContact CG2-CE2 4.38Å; V207-Y240 HydrophobicContact CG2-CG 4.3Å; A237-Y240 PolarHBondContact O-N 3.34Å; K238-Y240 PolarHBondContact O-N 3.18Å; Y240-N242 PolarHBondContact O-N 2.99Å; Y240-I243 VanDerWaalsContact CB-CD1 3.48Å; Y240-I243 HydrophobicContact CD2-CD1 4.07Å; Y240-I243 HydrophobicContact CG-CD1 3.85Å; Y240-I243 HydrophobicContact CG-CG1 4.46Å; Y240-I243 WeakPolarHBondContact O-CB 3.4Å; Y240-I243 PolarHBondContact O-N 3.3Å
241	E	98.1	Very high	98	Very high	186 Å²	186	63.4 Å²	63.4	87%	0.869	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-21.8	-179.8	-60.6	172.3	154.1	0	0	114.5	I243	E241-I243 VanDerWaalsContact C-N 3.35Å
242	N	98.6	Very high	97.8	Very high	22 Å²	22	61.8 Å²	61.8	12%	0.118	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	6.4	176.3	60.8	-72.3	0	0	0	114.4	R215 K216 K217 P218 I219 Y240	R215-N242 PolarHBondContact O-ND2 3.42Å; K216-N242 WeakPolarHBondContact CD-OD1 3.05Å; K217-N242 PolarHBondContact O-ND2 3.47Å; P218-N242 WeakPolarHBondContact CA-O 3.35Å; I219-N242 PolarHBondContact N-O 2.97Å; Y240-N242 PolarHBondContact O-N 2.99Å
243	I	98.8	Very high	97.6	Very high	16 Å²	16	60.2 Å²	60.2	8%	0.082	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	119	179	-58.8	-171.9	0	0	0	111.3	V203 V207 I219 L221 A237 Y240 E241	V203-I243 HydrophobicContact CG1-CD1 3.48Å; V203-I243 VanDerWaalsContact CG1-CD1 3.48Å; V207-I243 HydrophobicContact CG2-CD1 3.81Å; I219-I243 HydrophobicContact CB-CG1 4.27Å; I219-I243 HydrophobicContact CD1-CG1 4.49Å; I219-I243 WeakPolarHBondContact O-CA 3.35Å; L221-I243 HydrophobicContact CD1-CG2 3.73Å; L221-I243 HydrophobicContact CD2-CG2 4.47Å; L221-I243 HydrophobicContact CG-CG2 3.72Å; A237-I243 HydrophobicContact CB-CG2 4.02Å; Y240-I243 VanDerWaalsContact CB-CD1 3.48Å; Y240-I243 HydrophobicContact CD2-CD1 4.07Å; Y240-I243 HydrophobicContact CG-CD1 3.85Å; Y240-I243 HydrophobicContact CG-CG1 4.46Å; Y240-I243 WeakPolarHBondContact O-CB 3.4Å; Y240-I243 PolarHBondContact O-N 3.3Å; E241-I243 VanDerWaalsContact C-N 3.35Å
244	S	98.8	Very high	97.4	Very high	75 Å²	75	63.3 Å²	63.3	52%	0.524	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	154.7	171.9	-73.4	0	0	0	0	110.8	I219 L220 L221	I219-S244 PolarHBondContact O-N 2.86Å; L220-S244 CarbonylContact C-O 3.54Å; L220-S244 WeakPolarHBondContact CA-O 3.41Å; L221-S244 PolarHBondContact N-O 3.48Å
245	L	98.8	Very high	97.2	Very high	44 Å²	44	59.9 Å²	59.9	23%	0.23	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	136.8	178.9	-63	87.4	0	0	0	111.4	L221 L233 A237	L221-L245 CarbonylContact O-C 3.46Å; L221-L245 WeakPolarHBondContact O-CA 3.36Å; L233-L245 HydrophobicContact CD2-CD2 4.04Å; L233-L245 HydrophobicContact CG-CD2 3.93Å; A237-L245 HydrophobicContact CB-CD1 3.85Å; A237-L245 HydrophobicContact CB-CD2 4.49Å
246	C	98.7	Very high	97.2	Very high	6 Å²	6	58 Å²	58	4%	0.041	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	105.9	173.4	178.4	0	0	0	0	110	L220 L221 V222 H223 A248	L220-C246 HydrophobicContact CD1-CB 4.01Å; L220-C246 HydrophobicContact CG-CB 4.36Å; L221-C246 PolarHBondContact O-N 2.7Å; V222-C246 WeakPolarHBondContact CA-O 3.38Å; V222-C246 HydrophobicContact CB-CB 4.43Å; V222-C246 HydrophobicContact CG1-CB 4.21Å; V222-C246 HydrophobicContact CG2-CB 4.13Å; H223-C246 PolarHBondContact CD2-O 2.78Å; H223-C246 PolarHBondContact N-O 2.81Å; C246-A248 PolarHBondContact O-N 3.42Å
247	Q	98.6	Very high	97.2	Very high	75 Å²	75	55.9 Å²	55.9	35%	0.35	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	115.5	175.7	-170.3	-172.3	6.2	0	0	110.3	H223 D225	H223-Q247 WeakPolarHBondContact O-CA 3.23Å; D225-Q247 PolarHBondContact O-NE2 2.99Å
248	A	98.1	Very high	97.2	Very high	4 Å²	4	58 Å²	58	3%	0.033	30%	0.304	C	S	.	.			trans	-70.8	143.3	175.5	0	0	0	0	0	111.6	H223 C246 L250 H257 Y325 Y532	H223-A248 PolarHBondContact O-N 3.36Å; C246-A248 PolarHBondContact O-N 3.42Å; A248-L250 PolarHBondContact O-N 3.15Å; A248-H257 HydrophobicContact CB-CB 4.42Å; A248-Y325 HydrophobicContact CB-CD1 3.88Å; A248-Y325 HydrophobicContact CB-CE1 3.81Å; A248-Y532 HydrophobicContact CB-CD2 4.07Å; A248-Y532 HydrophobicContact CB-CE2 3.72Å
249	K	96.8	Very high	97.2	Very high	90 Å²	90	49.5 Å²	49.5	39%	0.391	27%	0.267	S	S	.	.			trans	-84.3	107.6	-174.8	-70.7	168.4	-178.3	158.4	0	111	N326 Y532	K249-N326 PolarHBondContact NZ-O 2.95Å; K249-Y532 WeakPolarHBondContact O-CE2 3.36Å; K249-Y532 PolarHBondContact O-OH 3.16Å
250	L	96.1	Very high	97.2	Very high	7 Å²	7	45.6 Å²	45.6	4%	0.037	24%	0.241	C	C	.	.			trans	-108.2	64.4	180	-67.2	169.6	0	0	0	109.6	G224 K226 A248 I252 H257 P354 Y532	G224-L250 WeakPolarHBondContact O-CD1 3.5Å; K226-L250 PolarHBondContact NZ-O 2.84Å; A248-L250 PolarHBondContact O-N 3.15Å; L250-I252 VanDerWaalsContact C-N 3.3Å; L250-I252 PolarHBondContact O-N 3.27Å; L250-H257 HydrophobicContact CD1-CB 4.47Å; L250-P354 HydrophobicContact CD2-CG 3.89Å; L250-Y532 HydrophobicContact CD2-CD2 3.75Å; L250-Y532 HydrophobicContact CD2-CE2 3.97Å
251	D	93.9	Very high	97.3	Very high	139 Å²	139	43.5 Å²	43.5	74%	0.743	23%	0.233	S	C	*	.			trans	-79	-14.7	-170	-58.5	-28.8	0	0	0	113
252	I	94.4	Very high	97.3	Very high	26 Å²	26	34.7 Å²	34.7	13%	0.133	19%	0.191	C	C	.	.	S	Bend	trans	-89.7	130.4	169.1	-60.7	173	0	0	0	108.8	L250 G255 M528 I529 R530	L250-I252 VanDerWaalsContact C-N 3.3Å; L250-I252 PolarHBondContact O-N 3.27Å; I252-G255 PolarHBondContact O-N 3.43Å; I252-M528 HydrophobicContact CG2-SD 4.47Å; I252-I529 WeakPolarHBondContact CD1-O 3.12Å; I252-R530 HydrophobicContact CG2-CB 4.38Å; I252-R530 HydrophobicContact CG2-CG 3.89Å
253	A	93.4	Very high	97.3	Very high	60 Å²	60	33.6 Å²	33.6	50%	0.496	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	145.6	179.1	0	0	0	0	0	112.2	G255 R530	A253-G255 PolarHBondContact O-N 3.24Å; A253-R530 WeakPolarHBondContact O-CD 3.34Å; A253-R530 PolarHBondContact O-NH1 3.12Å
254	F	93.1	Very high	97.3	Very high	72 Å²	72	32.9 Å²	32.9	32%	0.316	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	24.1	-177.1	-40.6	-71.7	0	0	0	115.5	S86 S87 S88	S86-F254 WeakPolarHBondContact OG-CA 3.41Å; S87-F254 VanDerWaalsContact O-CD1 3.3Å; S87-F254 WeakPolarHBondContact O-CD1 3.44Å; S87-F254 VanDerWaalsContact O-CE1 3.25Å; S87-F254 WeakPolarHBondContact O-CE1 3.47Å; S88-F254 WeakPolarHBondContact OG-CD2 3.48Å
255	G	95.6	Very high	97.3	Very high	12 Å²	12	30.8 Å²	30.8	12%	0.124	17%	0.165	C	C	.	.			trans	-85.2	147.7	166.7	0	0	0	0	0	112.6	I252 A253 R530	I252-G255 PolarHBondContact O-N 3.43Å; A253-G255 PolarHBondContact O-N 3.24Å; G255-R530 WeakPolarHBondContact CA-O 3.39Å
256	T	97.3	Very high	97.3	Very high	23 Å²	23	29.1 Å²	29.1	14%	0.141	16%	0.156	C	C	.	.			trans	-129	152.8	178.6	-46.1	0	0	0	0	111.4	Y199 H258 S531 Y532	Y199-T256 HydrophobicContact CD2-CG2 3.46Å; Y199-T256 VanDerWaalsContact CD2-CG2 3.46Å; Y199-T256 HydrophobicContact CE2-CG2 3.55Å; T256-H258 WeakPolarHBondContact CB-NE2 3.44Å; T256-H258 WeakPolarHBondContact CG2-CE1 3.49Å; T256-S531 PolarHBondContact N-OG 2.87Å; T256-S531 VanDerWaalsContact N-OG 3.11Å; T256-S531 CarbonylContact O-C 3.56Å; T256-S531 WeakPolarHBondContact O-CA 3.45Å; T256-S531 WeakPolarHBondContact O-CB 3.28Å; T256-S531 PolarHBondContact O-OG 3.44Å; T256-Y532 PolarHBondContact O-N 3.29Å
257	H	98.6	Very high	97.3	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-90.5	95.6	164.6	-177.3	-95.7	0	0	0	108.8	N198 Y199 V222 A248 L250 Y325 Y532	N198-H257 PolarHBondContact O-CE1 2.81Å; N198-H257 PolarHBondContact O-ND1 3.34Å; Y199-H257 WeakPolarHBondContact CA-O 3.17Å; Y199-H257 WeakPolarHBondContact CB-O 3.43Å; V222-H257 PolarHBondContact O-CE1 3.41Å; A248-H257 HydrophobicContact CB-CB 4.42Å; L250-H257 HydrophobicContact CD1-CB 4.47Å; H257-Y325 AromaticContact CD2-CE1 3.79Å; H257-Y325 AromaticContact NE2-CE1 3.58Å; H257-Y325 AromaticContact NE2-CZ 3.85Å; H257-Y325 PolarHBondContact NE2-OH 2.77Å; H257-Y532 HydrophobicContact CB-CD2 4.5Å; H257-Y532 AromaticContact CD2-CD2 3.92Å; H257-Y532 AromaticContact CD2-CG 3.92Å
258	H	98.4	Very high	97.3	Very high	48 Å²	48	35.9 Å²	35.9	22%	0.222	19%	0.187	C	C	.	.			trans	-99.6	-20.7	-176.4	-80.3	-42.7	0	0	0	113.9	T256 K260 S509 Y532 E533	T256-H258 WeakPolarHBondContact CB-NE2 3.44Å; T256-H258 WeakPolarHBondContact CG2-CE1 3.49Å; H258-K260 WeakPolarHBondContact O-CG 3.43Å; H258-K260 PolarHBondContact O-NZ 3.07Å; H258-S509 WeakPolarHBondContact O-CB 3.47Å; H258-Y532 PolarHBondContact N-O 3.46Å; H258-E533 VanDerWaalsContact CB-OE2 3.25Å; H258-E533 WeakPolarHBondContact CB-OE2 3.32Å; H258-E533 IonicContact CD2-OE1 3.93Å; H258-E533 PolarHBondContact CD2-OE1 2.86Å; H258-E533 IonicContact CG-OE1 3.94Å
259	T	98.8	Very high	97.3	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.186	C	C	.	.			trans	-42	137.7	173.6	-66	0	0	0	0	113.7	F197 N198 M261 Y321 Y532 E533 L534	F197-T259 CarbonylContact C-O 3.48Å; F197-T259 HydrophobicContact CB-CG2 4.06Å; F197-T259 HydrophobicContact CD1-CG2 4.49Å; N198-T259 VanDerWaalsContact CA-O 3.27Å; N198-T259 WeakPolarHBondContact CA-O 3.24Å; N198-T259 PolarHBondContact N-O 3.34Å; T259-M261 HydrophobicContact CG2-CB 4.32Å; T259-Y321 HydrophobicContact CG2-CE1 4.25Å; T259-Y321 PolarHBondContact OG1-OH 2.99Å; T259-Y532 PolarHBondContact N-O 3.31Å; T259-Y532 VanDerWaalsContact N-O 3.14Å; T259-Y532 PolarHBondContact OG1-O 3.37Å; T259-E533 VanDerWaalsContact OG1-CA 3.28Å; T259-E533 WeakPolarHBondContact OG1-CA 3.37Å; T259-E533 PolarHBondContact OG1-N 2.96Å; T259-L534 HydrophobicContact CG2-CB 3.78Å; T259-L534 HydrophobicContact CG2-CD2 4.16Å; T259-L534 PolarHBondContact OG1-N 2.99Å
260	K	98.9	Very high	97.3	Very high	8 Å²	8	31.5 Å²	31.5	4%	0.035	17%	0.168	C	C	.	.			trans	-136.2	96.1	-174	-82.1	160.2	169.1	50.4	0	109.3	F197 N198 H258 H275 T276 S277 N278	F197-K260 WeakPolarHBondContact O-CA 3.36Å; N198-K260 WeakPolarHBondContact OD1-CE 3.32Å; N198-K260 WeakPolarHBondContact OD1-CG 3.41Å; N198-K260 PolarHBondContact OD1-NZ 3.14Å; H258-K260 WeakPolarHBondContact O-CG 3.43Å; H258-K260 PolarHBondContact O-NZ 3.07Å; K260-H275 WeakPolarHBondContact CB-O 3.35Å; K260-H275 PolarHBondContact O-CD2 3.3Å; K260-H275 PolarHBondContact O-N 2.78Å; K260-T276 VanDerWaalsContact CD-C 3.44Å; K260-T276 WeakPolarHBondContact CD-O 3.38Å; K260-T276 WeakPolarHBondContact CE-O 3.37Å; K260-S277 WeakPolarHBondContact CD-O 3.27Å; K260-S277 VanDerWaalsContact CE-C 3.48Å; K260-S277 WeakPolarHBondContact CE-O 3.48Å; K260-S277 WeakPolarHBondContact CG-O 3.36Å; K260-N278 VanDerWaalsContact CE-OD1 3.27Å; K260-N278 WeakPolarHBondContact CE-OD1 3.41Å; K260-N278 PolarHBondContact NZ-OD1 3.09Å
261	M	98.9	Very high	97.5	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	137.9	-171.9	-177.8	174	67.3	0	0	110.8	F197 T259 L263 V272 V273 I274 L318 L322 L534	F197-M261 HydrophobicContact CB-CB 4.1Å; F197-M261 HydrophobicContact CD1-CE 4.2Å; F197-M261 HydrophobicContact CD2-CB 4.2Å; F197-M261 HydrophobicContact CD2-CE 3.68Å; F197-M261 WeakPolarHBondContact CD2-O 3.33Å; F197-M261 HydrophobicContact CE1-CE 4.02Å; F197-M261 HydrophobicContact CE2-CE 3.51Å; F197-M261 HydrophobicContact CG-CB 4.3Å; F197-M261 HydrophobicContact CG-CE 4.05Å; F197-M261 HydrophobicContact CZ-CE 3.69Å; F197-M261 PolarHBondContact N-O 3.28Å; F197-M261 PolarHBondContact O-N 2.75Å; T259-M261 HydrophobicContact CG2-CB 4.32Å; M261-L263 HydrophobicContact CE-CD1 4.39Å; M261-L263 HydrophobicContact CE-CD2 3.98Å; M261-L263 HydrophobicContact CE-CG 4.16Å; M261-L263 HydrophobicContact CG-CD2 4.3Å; M261-L263 HydrophobicContact SD-CD2 3.98Å; M261-V272 HydrophobicContact CG-CG1 4.2Å; M261-V272 HydrophobicContact SD-CG1 3.99Å; M261-V273 CarbonylContact C-O 3.48Å; M261-V273 WeakPolarHBondContact CA-O 3.42Å; M261-V273 WeakPolarHBondContact CG-O 3.27Å; M261-I274 HydrophobicContact CB-CG1 4.45Å; M261-I274 HydrophobicContact CG-CG1 4.03Å; M261-I274 HydrophobicContact SD-CG1 4.22Å; M261-L318 HydrophobicContact CE-CD1 4.2Å; M261-L318 HydrophobicContact SD-CD1 3.9Å; M261-L322 HydrophobicContact CE-CD2 4.12Å; M261-L534 HydrophobicContact CB-CD2 4.34Å; M261-L534 HydrophobicContact CE-CD2 4.24Å; M261-L534 HydrophobicContact CG-CD2 4.44Å; M261-L534 HydrophobicContact SD-CD2 3.49Å; M261-L534 WeakPolarHBondContact SD-CD2 3.35Å
262	M	98.9	Very high	97.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	130.2	165.7	-41.4	-169.5	178.5	0	0	108.8	I180 I183 L184 A195 L264 V272 V273 L279 W284	I180-M262 HydrophobicContact CD1-CE 3.98Å; I180-M262 HydrophobicContact CG1-CE 4.22Å; I183-M262 HydrophobicContact CG2-SD 4.07Å; L184-M262 HydrophobicContact CD2-SD 4.41Å; A195-M262 WeakPolarHBondContact O-CA 3.27Å; M262-L264 HydrophobicContact CB-CD1 4.28Å; M262-L264 HydrophobicContact CB-CD2 4.08Å; M262-L264 HydrophobicContact CB-CG 3.98Å; M262-V272 WeakPolarHBondContact O-CA 3.21Å; M262-V273 HydrophobicContact CB-CB 3.96Å; M262-V273 HydrophobicContact CB-CG2 4.13Å; M262-V273 HydrophobicContact CG-CB 4.13Å; M262-V273 PolarHBondContact N-O 3.36Å; M262-V273 PolarHBondContact O-N 2.96Å; M262-L279 HydrophobicContact CE-CD2 4.22Å; M262-W284 HydrophobicContact CE-CH2 4.24Å; M262-W284 HydrophobicContact CE-CZ2 4.12Å
263	L	98.9	Very high	97.9	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	121.7	160	-54.9	178.1	0	0	0	106.5	S194 A195 F197 M261 V272 L322 W333 I337	S194-L263 CarbonylContact C-O 3.39Å; S194-L263 WeakPolarHBondContact CA-O 3.11Å; A195-L263 HydrophobicContact CB-CB 4.19Å; A195-L263 HydrophobicContact CB-CD1 4.41Å; A195-L263 HydrophobicContact CB-CG 4.49Å; A195-L263 PolarHBondContact N-O 3.29Å; A195-L263 PolarHBondContact O-N 3.15Å; F197-L263 HydrophobicContact CE2-CD1 3.83Å; F197-L263 HydrophobicContact CE2-CG 3.99Å; F197-L263 HydrophobicContact CZ-CD1 4.23Å; M261-L263 HydrophobicContact CE-CD1 4.39Å; M261-L263 HydrophobicContact CE-CD2 3.98Å; M261-L263 HydrophobicContact CE-CG 4.16Å; M261-L263 HydrophobicContact CG-CD2 4.3Å; M261-L263 HydrophobicContact SD-CD2 3.98Å; L263-V272 HydrophobicContact CD2-CB 4.46Å; L263-V272 HydrophobicContact CD2-CG1 4.13Å; L263-V272 HydrophobicContact CD2-CG2 3.88Å; L263-L322 HydrophobicContact CD1-CD1 4.27Å; L263-W333 HydrophobicContact CB-CD2 4.23Å; L263-W333 HydrophobicContact CB-CE3 3.56Å; L263-W333 HydrophobicContact CB-CH2 4.26Å; L263-W333 HydrophobicContact CB-CZ3 3.57Å; L263-W333 HydrophobicContact CD1-CB 3.93Å; L263-W333 HydrophobicContact CD1-CD2 3.92Å; L263-W333 HydrophobicContact CD1-CE3 3.76Å; L263-W333 HydrophobicContact CD1-CG 3.99Å; L263-W333 HydrophobicContact CG-CE3 4.31Å; L263-I337 HydrophobicContact CD1-CD1 4.47Å
264	L	98.9	Very high	98.2	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	104.4	-173.1	-58.2	175.5	0	0	0	108.3	I183 L184 L191 M262 Y266 R271 V273	I183-L264 HydrophobicContact CG2-CD1 4.1Å; L184-L264 HydrophobicContact CD2-CD1 4.41Å; L184-L264 HydrophobicContact CD2-CD2 3.9Å; L191-L264 HydrophobicContact CD1-CB 4.24Å; L191-L264 HydrophobicContact CD1-CD2 4.29Å; M262-L264 HydrophobicContact CB-CD1 4.28Å; M262-L264 HydrophobicContact CB-CD2 4.08Å; M262-L264 HydrophobicContact CB-CG 3.98Å; L264-Y266 HydrophobicContact CB-CE1 4.27Å; L264-Y266 HydrophobicContact CB-CE2 3.93Å; L264-Y266 WeakPolarHBondContact CB-OH 3.34Å; L264-Y266 VanDerWaalsContact CD1-OH 3.31Å; L264-Y266 WeakPolarHBondContact CD1-OH 3.4Å; L264-Y266 WeakPolarHBondContact O-CE2 3.39Å; L264-R271 HydrophobicContact CB-CB 4.49Å; L264-R271 PolarHBondContact N-O 3.12Å; L264-R271 PolarHBondContact O-N 3.33Å; L264-V273 HydrophobicContact CD1-CG2 3.89Å
265	L	98.9	Very high	98.5	Very high	32 Å²	32	18.2 Å²	18.2	17%	0.168	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	124.8	176.2	179.3	64.6	0	0	0	108.9	V192 S193 L270 W333 T336	V192-L265 HydrophobicContact CB-CD2 4.48Å; V192-L265 HydrophobicContact CB-CG 4.27Å; V192-L265 HydrophobicContact CG1-CD2 4.3Å; V192-L265 PolarHBondContact N-O 3.3Å; S193-L265 PolarHBondContact N-O 3.04Å; S193-L265 PolarHBondContact O-N 3.42Å; L265-L270 HydrophobicContact CB-CD1 4.47Å; L265-W333 HydrophobicContact CB-CH2 3.99Å; L265-W333 HydrophobicContact CB-CZ3 3.98Å; L265-T336 HydrophobicContact CD1-CG2 3.82Å; L265-T336 HydrophobicContact CD2-CG2 4.04Å; L265-T336 HydrophobicContact CG-CG2 4.4Å
266	Y	98.7	Very high	98.6	Very high	8 Å²	8	17.7 Å²	17.7	3%	0.031	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	171.6	178	-44.8	-83.9	0	0	0	111	G189 T190 L191 L264 E268 G269 R271 L296	G189-Y266 WeakPolarHBondContact O-CD1 3.41Å; T190-Y266 CarbonylContact O-C 3.51Å; T190-Y266 WeakPolarHBondContact O-CA 3.47Å; T190-Y266 WeakPolarHBondContact O-CB 3.27Å; L191-Y266 HydrophobicContact CB-CD1 4.24Å; L191-Y266 HydrophobicContact CD1-CD1 3.86Å; L191-Y266 HydrophobicContact CD1-CE1 3.81Å; L264-Y266 HydrophobicContact CB-CE1 4.27Å; L264-Y266 HydrophobicContact CB-CE2 3.93Å; L264-Y266 WeakPolarHBondContact CB-OH 3.34Å; L264-Y266 VanDerWaalsContact CD1-OH 3.31Å; L264-Y266 WeakPolarHBondContact CD1-OH 3.4Å; L264-Y266 WeakPolarHBondContact O-CE2 3.39Å; Y266-E268 VanDerWaalsContact CB-OE2 3.32Å; Y266-E268 WeakPolarHBondContact CB-OE2 3.43Å; Y266-E268 PolarHBondContact O-N 3.46Å; Y266-G269 WeakPolarHBondContact CA-O 3.48Å; Y266-G269 WeakPolarHBondContact CD2-O 3.04Å; Y266-G269 PolarHBondContact N-O 2.95Å; Y266-G269 PolarHBondContact O-N 3.41Å; Y266-R271 HydrophobicContact CE2-CB 3.64Å; Y266-L296 HydrophobicContact CD2-CD1 3.89Å; Y266-L296 HydrophobicContact CE2-CD1 4.24Å
267	E	98.3	Very high	98.7	Very high	136 Å²	136	16.6 Å²	16.6	64%	0.636	8%	0.078	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-26.5	171.5	-63.6	177.9	-163.7	0	0	111.7	T190 V192	T190-E267 HydrophobicContact CG2-CG 4.09Å; T190-E267 WeakPolarHBondContact CG2-OE1 3.49Å; T190-E267 PolarHBondContact O-N 2.73Å; V192-E267 HydrophobicContact CG2-CB 4.47Å; V192-E267 HydrophobicContact CG2-CG 3.6Å
268	E	97.5	Very high	98.7	Very high	88 Å²	88	16.8 Å²	16.8	41%	0.411	8%	0.079	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-10	-179.8	-52.7	86.5	167.9	0	0	114.4	T190 Y266 L296	T190-E268 WeakPolarHBondContact CB-OE1 3.44Å; T190-E268 PolarHBondContact N-OE1 3.38Å; T190-E268 PolarHBondContact N-OE2 3.12Å; T190-E268 PolarHBondContact OG1-OE1 2.99Å; Y266-E268 VanDerWaalsContact CB-OE2 3.32Å; Y266-E268 WeakPolarHBondContact CB-OE2 3.43Å; Y266-E268 PolarHBondContact O-N 3.46Å; E268-L296 HydrophobicContact CB-CD2 4.04Å
269	G	98.1	Very high	98.7	Very high	2 Å²	2	14.5 Å²	14.5	2%	0.021	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	146.4	-160.5	-177.6	0	0	0	0	0	114.3	Y266 Y297	Y266-G269 WeakPolarHBondContact CA-O 3.48Å; Y266-G269 WeakPolarHBondContact CD2-O 3.04Å; Y266-G269 PolarHBondContact N-O 2.95Å; Y266-G269 PolarHBondContact O-N 3.41Å; G269-Y297 CarbonylContact C-O 3.5Å; G269-Y297 VanDerWaalsContact CA-O 3.26Å; G269-Y297 WeakPolarHBondContact CA-O 3.42Å
270	L	98.8	Very high	98.7	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	146.2	-177.2	177.9	67.5	0	0	0	111.1	L265 Y297 W333 T336 I337 H340	L265-L270 HydrophobicContact CB-CD1 4.47Å; L270-Y297 PolarHBondContact N-O 2.76Å; L270-Y297 WeakPolarHBondContact O-CB 3.33Å; L270-Y297 WeakPolarHBondContact O-CD2 3.18Å; L270-Y297 PolarHBondContact O-N 3.29Å; L270-W333 HydrophobicContact CD1-CZ3 4.22Å; L270-T336 HydrophobicContact CD1-CG2 4.43Å; L270-I337 HydrophobicContact CD2-CB 4.46Å; L270-I337 HydrophobicContact CD2-CG1 3.75Å; L270-H340 HydrophobicContact CB-CB 4.21Å; L270-H340 HydrophobicContact CD2-CB 4.19Å
271	R	98.8	Very high	98.7	Very high	18 Å²	18	19.9 Å²	19.9	7%	0.068	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	144.4	167.4	-167.9	-172.9	-55.4	-79.8	3.8	110.9	F188 L264 Y266 S294	F188-R271 PolarHBondContact O-NH2 3.4Å; L264-R271 HydrophobicContact CB-CB 4.49Å; L264-R271 PolarHBondContact N-O 3.12Å; L264-R271 PolarHBondContact O-N 3.33Å; Y266-R271 HydrophobicContact CE2-CB 3.64Å; R271-S294 WeakPolarHBondContact CA-OG 3.46Å; R271-S294 WeakPolarHBondContact CG-OG 3.47Å; R271-S294 PolarHBondContact NH1-O 3.39Å
272	V	98.9	Very high	98.7	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	134.8	173.2	-177.2	0	0	0	0	108.1	M261 M262 L263 I274 W292 S294 Y297 F314 L318	M261-V272 HydrophobicContact CG-CG1 4.2Å; M261-V272 HydrophobicContact SD-CG1 3.99Å; M262-V272 WeakPolarHBondContact O-CA 3.21Å; L263-V272 HydrophobicContact CD2-CB 4.46Å; L263-V272 HydrophobicContact CD2-CG1 4.13Å; L263-V272 HydrophobicContact CD2-CG2 3.88Å; V272-I274 HydrophobicContact CG1-CD1 4.29Å; V272-I274 HydrophobicContact CG1-CG1 4.14Å; V272-W292 HydrophobicContact CB-CZ3 4.27Å; V272-W292 HydrophobicContact CG1-CZ3 4.1Å; V272-S294 PolarHBondContact N-OG 2.9Å; V272-S294 WeakPolarHBondContact O-CB 3.22Å; V272-S294 PolarHBondContact O-N 2.97Å; V272-S294 PolarHBondContact O-OG 3.12Å; V272-Y297 HydrophobicContact CB-CE2 4.39Å; V272-Y297 HydrophobicContact CG2-CE2 3.99Å; V272-F314 HydrophobicContact CG1-CZ 4.33Å; V272-L318 HydrophobicContact CG1-CD2 4.49Å; V272-L318 HydrophobicContact CG2-CD2 3.92Å
273	V	98.9	Very high	98.6	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	122.3	176.6	-167.8	0	0	0	0	107.5	I183 M261 M262 L264 I291 W292 L293	I183-V273 HydrophobicContact CG2-CG1 4.39Å; I183-V273 HydrophobicContact CG2-CG2 3.99Å; M261-V273 CarbonylContact C-O 3.48Å; M261-V273 WeakPolarHBondContact CA-O 3.42Å; M261-V273 WeakPolarHBondContact CG-O 3.27Å; M262-V273 HydrophobicContact CB-CB 3.96Å; M262-V273 HydrophobicContact CB-CG2 4.13Å; M262-V273 HydrophobicContact CG-CB 4.13Å; M262-V273 PolarHBondContact N-O 3.36Å; M262-V273 PolarHBondContact O-N 2.96Å; L264-V273 HydrophobicContact CD1-CG2 3.89Å; V273-I291 HydrophobicContact CG1-CG2 3.78Å; V273-W292 WeakPolarHBondContact CA-O 3.22Å; V273-L293 HydrophobicContact CG1-CD1 4.19Å; V273-L293 HydrophobicContact CG2-CD1 3.87Å
274	I	98.9	Very high	98.6	Very high	4 Å²	4	22 Å²	22	2%	0.021	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	121.3	178.1	-63.8	169.5	0	0	0	107.5	M261 V272 W292 F314 L349 L534 V536	M261-I274 HydrophobicContact CB-CG1 4.45Å; M261-I274 HydrophobicContact CG-CG1 4.03Å; M261-I274 HydrophobicContact SD-CG1 4.22Å; V272-I274 HydrophobicContact CG1-CD1 4.29Å; V272-I274 HydrophobicContact CG1-CG1 4.14Å; I274-W292 HydrophobicContact CB-CE3 4.11Å; I274-W292 HydrophobicContact CD1-CE3 4.11Å; I274-W292 HydrophobicContact CD1-CZ3 4.04Å; I274-W292 HydrophobicContact CG1-CE3 4.16Å; I274-W292 HydrophobicContact CG1-CZ3 4.34Å; I274-W292 PolarHBondContact N-O 3.25Å; I274-W292 PolarHBondContact O-N 3.38Å; I274-F314 HydrophobicContact CD1-CE2 4.47Å; I274-F314 HydrophobicContact CD1-CZ 4.3Å; I274-L349 HydrophobicContact CD1-CD1 3.69Å; I274-L534 HydrophobicContact CD1-CD2 3.9Å; I274-L534 HydrophobicContact CD1-CG 4.22Å; I274-L534 HydrophobicContact CG1-CD2 4.19Å; I274-V536 HydrophobicContact CD1-CG1 3.71Å
275	H	98.9	Very high	98.6	Very high	3 Å²	3	24.7 Å²	24.7	1%	0.014	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	178.9	-166.7	62.2	100.8	0	0	0	112.2	K260 S277 G290 I291	K260-H275 WeakPolarHBondContact CB-O 3.35Å; K260-H275 PolarHBondContact O-CD2 3.3Å; K260-H275 PolarHBondContact O-N 2.78Å; H275-S277 PolarHBondContact CE1-O 2.84Å; H275-S277 PolarHBondContact ND1-O 3.01Å; H275-G290 CarbonylContact C-O 3.6Å; H275-G290 WeakPolarHBondContact CA-O 3.49Å; H275-G290 WeakPolarHBondContact CB-O 3.44Å; H275-I291 HydrophobicContact CB-CB 4.41Å; H275-I291 HydrophobicContact CB-CG1 3.97Å
276	T	98.9	Very high	98.6	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.123	C	C	.	.	S	Bend	trans	-113.8	-7.7	-179.1	68.1	0	0	0	0	115	K260 Q289 G290 H488 I489 V507 T508	K260-T276 VanDerWaalsContact CD-C 3.44Å; K260-T276 WeakPolarHBondContact CD-O 3.38Å; K260-T276 WeakPolarHBondContact CE-O 3.37Å; T276-Q289 PolarHBondContact O-OE1 2.93Å; T276-Q289 VanDerWaalsContact O-OE1 3.09Å; T276-Q289 VanDerWaalsContact OG1-CA 3.26Å; T276-Q289 WeakPolarHBondContact OG1-CA 3.28Å; T276-Q289 WeakPolarHBondContact OG1-CB 3.35Å; T276-Q289 PolarHBondContact OG1-OE1 3.49Å; T276-G290 PolarHBondContact N-O 3.32Å; T276-G290 PolarHBondContact OG1-N 2.89Å; T276-H488 PolarHBondContact O-CE1 2.76Å; T276-H488 PolarHBondContact O-ND1 3.18Å; T276-I489 HydrophobicContact CG2-CB 4.42Å; T276-I489 HydrophobicContact CG2-CG1 3.95Å; T276-I489 WeakPolarHBondContact OG1-CA 3.23Å; T276-V507 HydrophobicContact CG2-CG2 3.92Å; T276-T508 WeakPolarHBondContact CG2-O 3.35Å
277	S	98.7	Very high	98.6	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.122	C	C	.	.			trans	-76.2	139.9	178.2	-23.3	0	0	0	0	114.4	N198 K260 H275 W284 Q289	N198-S277 PolarHBondContact ND2-O 3.27Å; K260-S277 WeakPolarHBondContact CD-O 3.27Å; K260-S277 VanDerWaalsContact CE-C 3.48Å; K260-S277 WeakPolarHBondContact CE-O 3.48Å; K260-S277 WeakPolarHBondContact CG-O 3.36Å; H275-S277 PolarHBondContact CE1-O 2.84Å; H275-S277 PolarHBondContact ND1-O 3.01Å; S277-W284 VanDerWaalsContact CB-NE1 3.31Å; S277-Q289 WeakPolarHBondContact OG-CB 3.49Å; S277-Q289 WeakPolarHBondContact OG-CG 3.19Å
278	N	98.8	Very high	98.6	Very high	6 Å²	6	18.1 Å²	18.1	3%	0.032	9%	0.091	C	C	.	.			trans	-70.8	165.9	159.9	-60	-76.9	0	0	0	110.7	N198 C200 K260 I280 D283 W284 H488	N198-N278 WeakPolarHBondContact OD1-CA 3.49Å; N198-N278 PolarHBondContact OD1-OD1 3.45Å; C200-N278 HydrophobicContact CB-CB 4.23Å; K260-N278 VanDerWaalsContact CE-OD1 3.27Å; K260-N278 WeakPolarHBondContact CE-OD1 3.41Å; K260-N278 PolarHBondContact NZ-OD1 3.09Å; N278-I280 VanDerWaalsContact C-N 3.31Å; N278-I280 HydrophobicContact CB-CD1 4.35Å; N278-I280 HydrophobicContact CB-CG1 4.09Å; N278-I280 PolarHBondContact O-N 2.81Å; N278-D283 HydrophobicContact CB-CB 4.17Å; N278-D283 WeakPolarHBondContact CB-OD2 3.38Å; N278-D283 PolarHBondContact N-OD2 2.84Å; N278-D283 PolarHBondContact ND2-OD2 3.02Å; N278-W284 PolarHBondContact O-NE1 2.93Å; N278-H488 PolarHBondContact ND2-CE1 3.27Å
279	L	98.8	Very high	98.7	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.072	C	C	.	.	B	Isolated β-bridge	trans	-95.9	60	178.8	-63	178.7	0	0	0	111	I180 Q196 N198 C200 F201 D202 W205 L206 M262	I180-L279 HydrophobicContact CD1-CD2 3.67Å; Q196-L279 HydrophobicContact CB-CD1 3.82Å; Q196-L279 HydrophobicContact CG-CD1 4.16Å; N198-L279 HydrophobicContact CB-CD1 4.38Å; N198-L279 HydrophobicContact CB-CG 4.37Å; C200-L279 PolarHBondContact O-N 2.81Å; F201-L279 HydrophobicContact CD1-CB 4.19Å; F201-L279 HydrophobicContact CD1-CD1 3.88Å; F201-L279 HydrophobicContact CE1-CD1 3.79Å; D202-L279 PolarHBondContact N-O 3.29Å; W205-L279 HydrophobicContact CZ3-CB 4.25Å; L206-L279 HydrophobicContact CD1-CB 4.36Å; L206-L279 HydrophobicContact CD1-CD1 3.95Å; L206-L279 HydrophobicContact CD1-CD2 4.2Å; L206-L279 HydrophobicContact CD1-CG 4.37Å; L206-L279 HydrophobicContact CD2-CB 4.47Å; L206-L279 HydrophobicContact CD2-CD1 3.82Å; M262-L279 HydrophobicContact CE-CD2 4.22Å
280	I	98.7	Very high	98.7	Very high	23 Å²	23	13.8 Å²	13.8	12%	0.118	7%	0.071	C	C	.	.	S	Bend	trans	-138.5	153.5	177.2	63	179.5	0	0	0	109.2	W83 D202 N278 A282 D283	W83-I280 HydrophobicContact CH2-CD1 3.91Å; D202-I280 HydrophobicContact CB-CG2 3.95Å; N278-I280 VanDerWaalsContact C-N 3.31Å; N278-I280 HydrophobicContact CB-CD1 4.35Å; N278-I280 HydrophobicContact CB-CG1 4.09Å; N278-I280 PolarHBondContact O-N 2.81Å; I280-A282 PolarHBondContact O-N 3.48Å; I280-D283 HydrophobicContact CG1-CB 3.98Å; I280-D283 PolarHBondContact O-N 3.24Å
281	H	98.6	Very high	98.7	Very high	97 Å²	97	13.8 Å²	13.8	45%	0.449	7%	0.071	S	C	.	.	H	α-helix	trans	-52	-51.5	-177.2	176.9	-122.9	0	0	0	114	W205 D283 W284 H285	W205-H281 HydrophobicContact CG-CB 4.48Å; W205-H281 AromaticContact NE1-CD2 3.92Å; H281-D283 PolarHBondContact O-N 3.18Å; H281-D283 VanDerWaalsContact O-N 3.12Å; H281-W284 PolarHBondContact O-N 3.22Å; H281-H285 AromaticContact CE1-CD2 3.54Å; H281-H285 AromaticContact CE1-CG 3.65Å; H281-H285 AromaticContact NE2-CD2 3.42Å; H281-H285 PolarHBondContact NE2-CD2 3.19Å; H281-H285 AromaticContact NE2-CG 3.76Å; H281-H285 PolarHBondContact O-N 3.04Å; H281-H285 VanDerWaalsContact O-N 3.12Å
282	A	98.1	Very high	98.7	Very high	40 Å²	40	13 Å²	13	33%	0.331	7%	0.068	S	C	.	.	H	α-helix	trans	-56.7	-33.8	-173.4	0	0	0	0	0	113.4	I280 W284 H285 K287	I280-A282 PolarHBondContact O-N 3.48Å; A282-W284 VanDerWaalsContact C-N 3.25Å; A282-W284 PolarHBondContact O-N 2.95Å; A282-H285 PolarHBondContact O-N 2.87Å; A282-K287 WeakPolarHBondContact O-CE 3.44Å
283	D	98.3	Very high	98.7	Very high	1 Å²	1	13 Å²	13	1%	0.005	7%	0.068	C	C	.	.	H	α-helix	trans	-73	-15.5	-179.4	-104.7	53	0	0	0	113.9	N278 I280 H281 Q289 H488	N278-D283 HydrophobicContact CB-CB 4.17Å; N278-D283 WeakPolarHBondContact CB-OD2 3.38Å; N278-D283 PolarHBondContact N-OD2 2.84Å; N278-D283 PolarHBondContact ND2-OD2 3.02Å; I280-D283 HydrophobicContact CG1-CB 3.98Å; I280-D283 PolarHBondContact O-N 3.24Å; H281-D283 PolarHBondContact O-N 3.18Å; H281-D283 VanDerWaalsContact O-N 3.12Å; D283-Q289 VanDerWaalsContact O-CG 3.23Å; D283-Q289 WeakPolarHBondContact O-CG 3.2Å; D283-Q289 PolarHBondContact O-NE2 2.86Å; D283-Q289 PolarHBondContact OD2-NE2 2.6Å; D283-H488 IonicContact OD2-CE1 2.68Å; D283-H488 PolarHBondContact OD2-CE1 3.2Å; D283-H488 IonicContact OD2-CG 2.72Å; D283-H488 IonicContact OD2-ND1 2.67Å; D283-H488 PolarHBondContact OD2-ND1 3.03Å
284	W	98.6	Very high	98.7	Very high	5 Å²	5	13 Å²	13	2%	0.019	7%	0.068	C	C	.	.	H	α-helix	trans	-113	2.4	175.3	-62.9	78.6	0	0	0	112.9	T164 I180 I183 W205 M262 S277 N278 H281 A282 I291	T164-W284 HydrophobicContact CG2-CD2 4.22Å; T164-W284 HydrophobicContact CG2-CE3 3.52Å; T164-W284 HydrophobicContact CG2-CZ3 3.72Å; I180-W284 HydrophobicContact CB-CD2 3.89Å; I180-W284 HydrophobicContact CB-CE3 3.76Å; I180-W284 HydrophobicContact CB-CH2 3.86Å; I180-W284 HydrophobicContact CB-CZ2 3.97Å; I180-W284 HydrophobicContact CB-CZ3 3.75Å; I180-W284 HydrophobicContact CD1-CZ2 4.09Å; I180-W284 HydrophobicContact CG1-CH2 4.44Å; I180-W284 HydrophobicContact CG1-CZ2 4.35Å; I180-W284 HydrophobicContact CG2-CD2 4.07Å; I180-W284 HydrophobicContact CG2-CE3 4.19Å; I180-W284 HydrophobicContact CG2-CG 4.38Å; I183-W284 HydrophobicContact CD1-CH2 3.82Å; I183-W284 HydrophobicContact CD1-CZ3 3.97Å; W205-W284 AromaticContact CH2-CD1 3.39Å; W205-W284 AromaticContact CH2-CG 3.94Å; W205-W284 HydrophobicContact CH2-CG 3.94Å; W205-W284 AromaticContact CH2-NE1 3.74Å; W205-W284 HydrophobicContact CZ2-CB 4.31Å; W205-W284 AromaticContact CZ2-CD1 3.98Å; W205-W284 HydrophobicContact CZ2-CG 4.23Å; M262-W284 HydrophobicContact CE-CH2 4.24Å; M262-W284 HydrophobicContact CE-CZ2 4.12Å; S277-W284 VanDerWaalsContact CB-NE1 3.31Å; N278-W284 PolarHBondContact O-NE1 2.93Å; H281-W284 PolarHBondContact O-N 3.22Å; A282-W284 VanDerWaalsContact C-N 3.25Å; A282-W284 PolarHBondContact O-N 2.95Å; W284-I291 HydrophobicContact CH2-CD1 4.44Å; W284-I291 HydrophobicContact CZ3-CD1 4.09Å
285	H	98.6	Very high	98.5	Very high	56 Å²	56	14.8 Å²	14.8	26%	0.259	8%	0.08	S	C	.	.	H	α-helix	trans	-90.4	-64.4	-175.3	-173.2	-115.8	0	0	0	112.8	V166 S167 H281 A282	V166-H285 CarbonylContact C-O 3.52Å; V166-H285 WeakPolarHBondContact CA-O 3.29Å; S167-H285 VanDerWaalsContact CB-NE2 3.29Å; S167-H285 WeakPolarHBondContact CB-NE2 3.18Å; S167-H285 PolarHBondContact N-O 2.81Å; S167-H285 PolarHBondContact OG-CD2 3.32Å; S167-H285 PolarHBondContact OG-NE2 3.14Å; H281-H285 AromaticContact CE1-CD2 3.54Å; H281-H285 AromaticContact CE1-CG 3.65Å; H281-H285 AromaticContact NE2-CD2 3.42Å; H281-H285 PolarHBondContact NE2-CD2 3.19Å; H281-H285 AromaticContact NE2-CG 3.76Å; H281-H285 PolarHBondContact O-N 3.04Å; H281-H285 VanDerWaalsContact O-N 3.12Å; A282-H285 PolarHBondContact O-N 2.87Å
286	Q	98.7	Very high	98.5	Very high	34 Å²	34	18 Å²	18	16%	0.159	10%	0.097	C	C	.	.	S	Bend	trans	-134.1	11.6	-168.6	-86.3	173.5	-32.4	0	0	115	S167 L446 E447 A485	S167-Q286 WeakPolarHBondContact O-CG 3.32Å; S167-Q286 PolarHBondContact O-NE2 2.71Å; S167-Q286 VanDerWaalsContact O-NE2 3.14Å; Q286-L446 HydrophobicContact CB-CB 4.17Å; Q286-L446 HydrophobicContact CB-CD1 4.44Å; Q286-L446 HydrophobicContact CG-CB 4.07Å; Q286-L446 HydrophobicContact CG-CD1 4.14Å; Q286-E447 HydrophobicContact CB-CG 3.68Å; Q286-A485 VanDerWaalsContact O-CA 3.25Å; Q286-A485 WeakPolarHBondContact O-CA 3.18Å; Q286-A485 VanDerWaalsContact O-CB 3.29Å; Q286-A485 WeakPolarHBondContact O-CB 3.47Å
287	K	98.8	Very high	98.4	Very high	3 Å²	3	18.1 Å²	18.1	1%	0.013	10%	0.097	C	C	.	.	S	Bend	trans	-99.1	149.5	179.7	-59.2	-176.5	-155.1	-67.5	0	111.8	T164 A282 Q289 E447 S454 M486 H488	T164-K287 PolarHBondContact OG1-O 2.69Å; A282-K287 WeakPolarHBondContact O-CE 3.44Å; K287-Q289 HydrophobicContact CB-CG 4.43Å; K287-Q289 PolarHBondContact O-N 3.16Å; K287-E447 WeakPolarHBondContact CG-OE2 3.29Å; K287-E447 IonicContact NZ-OE1 2.74Å; K287-E447 PolarHBondContact NZ-OE1 3.11Å; K287-E447 IonicContact NZ-OE2 2.66Å; K287-E447 PolarHBondContact NZ-OE2 2.79Å; K287-S454 WeakPolarHBondContact CE-OG 3.24Å; K287-S454 PolarHBondContact NZ-OG 2.89Å; K287-M486 CarbonylContact C-O 3.59Å; K287-M486 WeakPolarHBondContact CA-O 3.46Å; K287-M486 WeakPolarHBondContact CB-O 3.46Å; K287-H488 HydrophobicContact CB-CB 4.44Å; K287-H488 HydrophobicContact CD-CB 4.09Å
288	T	98.9	Very high	98.4	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.119	C	C	.	.	B	Isolated β-bridge	trans	-81.4	110	166.5	-58.7	0	0	0	0	109.2	L163 W475 R482 A485 M486 H488 I489	L163-T288 HydrophobicContact CD2-CG2 4.23Å; T288-W475 HydrophobicContact CG2-CH2 3.87Å; T288-W475 HydrophobicContact CG2-CZ2 3.86Å; T288-R482 WeakPolarHBondContact OG1-CB 3.12Å; T288-R482 WeakPolarHBondContact OG1-CD 3.36Å; T288-A485 PolarHBondContact OG1-O 2.57Å; T288-M486 PolarHBondContact N-O 2.84Å; T288-H488 PolarHBondContact O-N 3.16Å; T288-I489 HydrophobicContact CG2-CG2 4.02Å; T288-I489 PolarHBondContact O-N 3.21Å
289	Q	98.9	Very high	98.3	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.139	C	C	.	.			trans	-118.5	153.8	174.2	-49.3	-82.8	11.8	0	0	110	L163 T164 T276 S277 D283 K287 H488	L163-Q289 WeakPolarHBondContact CA-O 3.5Å; L163-Q289 WeakPolarHBondContact CD2-O 3.34Å; T164-Q289 HydrophobicContact CG2-CB 3.61Å; T164-Q289 HydrophobicContact CG2-CG 3.92Å; T164-Q289 PolarHBondContact N-O 3.35Å; T164-Q289 VanDerWaalsContact OG1-CB 3.29Å; T164-Q289 WeakPolarHBondContact OG1-CB 3.42Å; T164-Q289 WeakPolarHBondContact OG1-CG 3.32Å; T164-Q289 PolarHBondContact OG1-N 2.96Å; T276-Q289 PolarHBondContact O-OE1 2.93Å; T276-Q289 VanDerWaalsContact O-OE1 3.09Å; T276-Q289 VanDerWaalsContact OG1-CA 3.26Å; T276-Q289 WeakPolarHBondContact OG1-CA 3.28Å; T276-Q289 WeakPolarHBondContact OG1-CB 3.35Å; T276-Q289 PolarHBondContact OG1-OE1 3.49Å; S277-Q289 WeakPolarHBondContact OG-CB 3.49Å; S277-Q289 WeakPolarHBondContact OG-CG 3.19Å; D283-Q289 VanDerWaalsContact O-CG 3.23Å; D283-Q289 WeakPolarHBondContact O-CG 3.2Å; D283-Q289 PolarHBondContact O-NE2 2.86Å; D283-Q289 PolarHBondContact OD2-NE2 2.6Å; K287-Q289 HydrophobicContact CB-CG 4.43Å; K287-Q289 PolarHBondContact O-N 3.16Å; Q289-H488 PolarHBondContact NE2-ND1 3.1Å; Q289-H488 PolarHBondContact OE1-ND1 3.31Å; Q289-H488 PolarHBondContact OE1-O 2.89Å
290	G	98.8	Very high	98	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	148.4	172.2	0	0	0	0	0	112	H275 T276	H275-G290 CarbonylContact C-O 3.6Å; H275-G290 WeakPolarHBondContact CA-O 3.49Å; H275-G290 WeakPolarHBondContact CB-O 3.44Å; T276-G290 PolarHBondContact N-O 3.32Å; T276-G290 PolarHBondContact OG1-N 2.89Å
291	I	98.9	Very high	97.5	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	126.5	175.6	-61.4	154.8	0	0	0	107.6	F161 Y162 T164 L178 I183 V273 H275 W284	F161-I291 CarbonylContact C-O 3.55Å; F161-I291 WeakPolarHBondContact CA-O 3.45Å; F161-I291 WeakPolarHBondContact CD2-O 3.23Å; Y162-I291 PolarHBondContact N-O 2.66Å; Y162-I291 PolarHBondContact O-N 3.5Å; T164-I291 HydrophobicContact CG2-CD1 3.99Å; L178-I291 HydrophobicContact CB-CD1 4.04Å; I183-I291 HydrophobicContact CD1-CD1 4.06Å; I183-I291 HydrophobicContact CD1-CG2 4.38Å; V273-I291 HydrophobicContact CG1-CG2 3.78Å; H275-I291 HydrophobicContact CB-CB 4.41Å; H275-I291 HydrophobicContact CB-CG1 3.97Å; W284-I291 HydrophobicContact CH2-CD1 4.44Å; W284-I291 HydrophobicContact CZ3-CD1 4.09Å
292	W	98.8	Very high	96.3	Very high	1 Å²	1	33.9 Å²	33.9	0%	0.004	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	132.9	156.9	170.5	76	0	0	0	109.3	Q160 V272 V273 I274 F314 T345 V347 V536 F538	Q160-W292 WeakPolarHBondContact O-CA 3.46Å; V272-W292 HydrophobicContact CB-CZ3 4.27Å; V272-W292 HydrophobicContact CG1-CZ3 4.1Å; V273-W292 WeakPolarHBondContact CA-O 3.22Å; I274-W292 HydrophobicContact CB-CE3 4.11Å; I274-W292 HydrophobicContact CD1-CE3 4.11Å; I274-W292 HydrophobicContact CD1-CZ3 4.04Å; I274-W292 HydrophobicContact CG1-CE3 4.16Å; I274-W292 HydrophobicContact CG1-CZ3 4.34Å; I274-W292 PolarHBondContact N-O 3.25Å; I274-W292 PolarHBondContact O-N 3.38Å; W292-F314 HydrophobicContact CH2-CE1 4.17Å; W292-F314 AromaticContact CH2-CE2 3.81Å; W292-F314 HydrophobicContact CH2-CE2 3.81Å; W292-F314 AromaticContact CH2-CZ 3.5Å; W292-F314 HydrophobicContact CH2-CZ 3.5Å; W292-F314 HydrophobicContact CZ3-CE2 4.02Å; W292-F314 AromaticContact CZ3-CZ 3.62Å; W292-F314 HydrophobicContact CZ3-CZ 3.62Å; W292-T345 HydrophobicContact CH2-CG2 4.27Å; W292-T345 HydrophobicContact CZ2-CG2 4.11Å; W292-V347 HydrophobicContact CD2-CG2 4.27Å; W292-V347 HydrophobicContact CH2-CG2 4.09Å; W292-V347 HydrophobicContact CZ2-CG2 3.46Å; W292-V347 VanDerWaalsContact CZ2-CG2 3.46Å; W292-V536 HydrophobicContact CB-CG2 3.62Å; W292-V536 HydrophobicContact CD2-CG1 4.1Å; W292-V536 HydrophobicContact CD2-CG2 4.17Å; W292-V536 HydrophobicContact CE3-CG1 3.91Å; W292-V536 HydrophobicContact CG-CG2 3.73Å; W292-V536 HydrophobicContact CZ3-CG1 4.33Å; W292-F538 AromaticContact CD1-CZ 3.84Å
293	L	98.3	Very high	94.9	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	127.5	177.8	-164.1	80.9	0	0	0	109.6	L153 Q160 Y162 F188 V273	L153-L293 HydrophobicContact CD2-CD2 3.56Å; Q160-L293 HydrophobicContact CB-CB 4.39Å; Q160-L293 WeakPolarHBondContact CB-O 3.38Å; Q160-L293 PolarHBondContact O-N 3.29Å; Q160-L293 VanDerWaalsContact O-N 3.08Å; Y162-L293 HydrophobicContact CD2-CB 4.35Å; Y162-L293 HydrophobicContact CE2-CB 4.15Å; F188-L293 HydrophobicContact CD1-CD1 4.27Å; F188-L293 HydrophobicContact CD1-CD2 4.33Å; F188-L293 HydrophobicContact CE1-CD1 3.73Å; F188-L293 HydrophobicContact CE1-CD2 3.55Å; F188-L293 HydrophobicContact CE1-CG 4.29Å; F188-L293 HydrophobicContact CZ-CD2 4.22Å; V273-L293 HydrophobicContact CG1-CD1 4.19Å; V273-L293 HydrophobicContact CG2-CD1 3.87Å
294	S	98.3	Very high	93.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.223	C	C	.	.			trans	-73.1	159.1	171.8	81.3	0	0	0	0	112.2	R271 V272 Y297	R271-S294 WeakPolarHBondContact CA-OG 3.46Å; R271-S294 WeakPolarHBondContact CG-OG 3.47Å; R271-S294 PolarHBondContact NH1-O 3.39Å; V272-S294 PolarHBondContact N-OG 2.9Å; V272-S294 WeakPolarHBondContact O-CB 3.22Å; V272-S294 PolarHBondContact O-N 2.97Å; V272-S294 PolarHBondContact O-OG 3.12Å; S294-Y297 VanDerWaalsContact CB-CE2 3.47Å; S294-Y297 WeakPolarHBondContact CB-OH 3.11Å; S294-Y297 VanDerWaalsContact OG-CE2 3.22Å; S294-Y297 WeakPolarHBondContact OG-CE2 3.38Å
295	P	96.3	Very high	92.5	Very high	42 Å²	42	48 Å²	48	27%	0.273	27%	0.267	S	S	.	.			trans	-49.8	162	155.9	-24.3	34.8	0	0	0	112	Y297 E344	P295-Y297 HydrophobicContact CB-CD1 4.44Å; P295-Y297 HydrophobicContact CB-CE1 4.3Å; P295-Y297 HydrophobicContact CG-CE1 4.39Å; P295-Y297 PolarHBondContact O-N 3.33Å; P295-E344 HydrophobicContact CG-CB 4.28Å
296	L	97.6	Very high	91.8	Very high	70 Å²	70	52 Å²	52	37%	0.366	28%	0.283	S	S	.	.			trans	-77.2	110.4	165	179.4	63.8	0	0	0	107.8	Y266 E268 P298	Y266-L296 HydrophobicContact CD2-CD1 3.89Å; Y266-L296 HydrophobicContact CE2-CD1 4.24Å; E268-L296 HydrophobicContact CB-CD2 4.04Å; L296-P298 WeakPolarHBondContact O-CD 3.46Å
297	Y	98.2	Very high	91.4	Very high	2 Å²	2	54.5 Å²	54.5	1%	0.008	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-81.4	117.6	179.8	-57.4	-55.7	0	0	0	109.4	G269 L270 V272 S294 P295 H340 D341 L342 T345	G269-Y297 CarbonylContact C-O 3.5Å; G269-Y297 VanDerWaalsContact CA-O 3.26Å; G269-Y297 WeakPolarHBondContact CA-O 3.42Å; L270-Y297 PolarHBondContact N-O 2.76Å; L270-Y297 WeakPolarHBondContact O-CB 3.33Å; L270-Y297 WeakPolarHBondContact O-CD2 3.18Å; L270-Y297 PolarHBondContact O-N 3.29Å; V272-Y297 HydrophobicContact CB-CE2 4.39Å; V272-Y297 HydrophobicContact CG2-CE2 3.99Å; S294-Y297 VanDerWaalsContact CB-CE2 3.47Å; S294-Y297 WeakPolarHBondContact CB-OH 3.11Å; S294-Y297 VanDerWaalsContact OG-CE2 3.22Å; S294-Y297 WeakPolarHBondContact OG-CE2 3.38Å; P295-Y297 HydrophobicContact CB-CD1 4.44Å; P295-Y297 HydrophobicContact CB-CE1 4.3Å; P295-Y297 HydrophobicContact CG-CE1 4.39Å; P295-Y297 PolarHBondContact O-N 3.33Å; Y297-H340 PolarHBondContact O-CD2 3.1Å; Y297-D341 WeakPolarHBondContact CB-O 3.41Å; Y297-D341 WeakPolarHBondContact CD1-O 3.48Å; Y297-L342 HydrophobicContact CD1-CB 4.13Å; Y297-L342 HydrophobicContact CD1-CD1 4.45Å; Y297-L342 HydrophobicContact CD1-CG 3.86Å; Y297-L342 HydrophobicContact CD2-CD1 4.16Å; Y297-L342 HydrophobicContact CD2-CD2 4.4Å; Y297-L342 HydrophobicContact CD2-CG 3.77Å; Y297-L342 HydrophobicContact CE1-CB 3.99Å; Y297-L342 HydrophobicContact CE1-CG 3.88Å; Y297-L342 HydrophobicContact CE2-CD2 4.12Å; Y297-L342 HydrophobicContact CE2-CG 3.81Å; Y297-L342 HydrophobicContact CG-CD1 4Å; Y297-L342 HydrophobicContact CG-CG 3.75Å; Y297-T345 VanDerWaalsContact CE1-OG1 3.27Å; Y297-T345 WeakPolarHBondContact CE1-OG1 3.24Å; Y297-T345 PolarHBondContact OH-OG1 3.21Å
298	P	97.1	Very high	91.2	Very high	72 Å²	72	54.5 Å²	54.5	47%	0.468	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-73.8	154.8	178.9	31.1	-34.9	0	0	0	111.2	L296 H340 D341	L296-P298 WeakPolarHBondContact O-CD 3.46Å; P298-H340 CarbonylContact O-C 3.6Å; P298-H340 WeakPolarHBondContact O-CA 3.45Å; P298-D341 HydrophobicContact CG-CB 4.19Å; P298-D341 PolarHBondContact O-N 3.47Å
299	R	96.4	Very high	91.2	Very high	120 Å²	120	56.7 Å²	56.7	45%	0.453	32%	0.315	S	S	.	.	B	Isolated β-bridge	trans	-69.3	136.2	170.7	-162.7	174.7	-177.8	-106	2.5	109.7	D302 E339 H340	R299-D302 IonicContact NH1-OD2 3.49Å; R299-D302 PolarHBondContact NH1-OD2 3.21Å; R299-E339 HydrophobicContact CG-CB 4.38Å; R299-E339 WeakPolarHBondContact CG-O 3.46Å; R299-E339 IonicContact CZ-OE2 3.57Å; R299-E339 IonicContact NE-OE2 2.77Å; R299-E339 PolarHBondContact NE-OE2 2.94Å; R299-E339 VanDerWaalsContact NH2-CD 3.28Å; R299-E339 IonicContact NH2-OE1 3.55Å; R299-E339 PolarHBondContact NH2-OE1 3.26Å; R299-E339 IonicContact NH2-OE2 3.17Å; R299-E339 PolarHBondContact NH2-OE2 3.17Å; R299-H340 PolarHBondContact N-CD2 3.06Å
300	I	94.2	Very high	91.2	Very high	29 Å²	29	57 Å²	57	15%	0.149	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-66.7	137.5	174.5	-62.4	173	0	0	0	108.2	D302 T304 E339 D341	I300-D302 PolarHBondContact O-N 3.28Å; I300-T304 WeakPolarHBondContact CG2-OG1 3.29Å; I300-E339 WeakPolarHBondContact CB-O 3.35Å; I300-E339 PolarHBondContact N-O 2.94Å; I300-D341 HydrophobicContact CG1-CB 4.02Å
301	V	86.7	Confident	91.1	Very high	105 Å²	105	62.3 Å²	62.3	64%	0.636	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-74.6	127.8	-180	-179.7	0	0	0	0	109.5	G303 T304	V301-G303 PolarHBondContact O-N 3Å; V301-T304 HydrophobicContact CB-CG2 4.14Å; V301-T304 WeakPolarHBondContact O-CB 3.45Å; V301-T304 PolarHBondContact O-N 3.26Å; V301-T304 PolarHBondContact O-OG1 3.11Å
302	D	73.9	Confident	91.1	Very high	132 Å²	132	62.3 Å²	62.3	71%	0.706	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.8	129.9	179.3	-67.5	-59.2	0	0	0	111.4	R299 I300	R299-D302 IonicContact NH1-OD2 3.49Å; R299-D302 PolarHBondContact NH1-OD2 3.21Å; I300-D302 PolarHBondContact O-N 3.28Å
303	G	69.1	Low	91.1	Very high	75 Å²	75	67.7 Å²	67.7	77%	0.773	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.7	-6.1	-174.5	0	0	0	0	0	115.9	V301	V301-G303 PolarHBondContact O-N 3Å
304	T	75	Confident	91.1	Very high	64 Å²	64	67.7 Å²	67.7	39%	0.393	38%	0.375	S	S	.	.			trans	-88.8	113.7	172.3	64.4	0	0	0	0	111.8	I300 V301 K306	I300-T304 WeakPolarHBondContact CG2-OG1 3.29Å; V301-T304 HydrophobicContact CB-CG2 4.14Å; V301-T304 WeakPolarHBondContact O-CB 3.45Å; V301-T304 PolarHBondContact O-N 3.26Å; V301-T304 PolarHBondContact O-OG1 3.11Å; T304-K306 PolarHBondContact O-N 3.31Å
305	H	71.9	Confident	91.1	Very high	204 Å²	204	68.1 Å²	68.1	94%	0.944	38%	0.377	S	S	*	.			trans	-76.8	64.7	176.9	-69	-62.8	0	0	0	112.4
306	K	83.3	Confident	91.2	Very high	140 Å²	140	68.3 Å²	68.3	61%	0.609	38%	0.382	S	S	*	.			trans	-100.1	145.3	167.2	-68.3	-173	174.9	-172	0	110.3	T304 G308	T304-K306 PolarHBondContact O-N 3.31Å; K306-G308 VanDerWaalsContact C-N 3.33Å
307	S	90.3	Very high	91.3	Very high	86 Å²	86	66.5 Å²	66.5	60%	0.601	37%	0.373	S	S	*	.			trans	-69.6	-33.3	169.1	53.1	0	0	0	0	112.4	E309 K315	S307-E309 PolarHBondContact O-N 3.35Å; S307-E309 PolarHBondContact OG-N 2.88Å; S307-K315 PolarHBondContact O-NZ 3.36Å
308	G	95.6	Very high	91.3	Very high	2 Å²	2	66.4 Å²	66.4	2%	0.021	37%	0.373	C	S	.	.			trans	63.2	28.7	-166.1	0	0	0	0	0	112.6	K306 K315 D341 L342	K306-G308 VanDerWaalsContact C-N 3.33Å; G308-K315 WeakPolarHBondContact O-CD 3.39Å; G308-D341 VanDerWaalsContact CA-OD1 3.29Å; G308-D341 WeakPolarHBondContact CA-OD1 3.41Å; G308-L342 WeakPolarHBondContact O-CA 3.48Å; G308-L342 PolarHBondContact O-N 3.04Å
309	E	97.9	Very high	91.4	Very high	46 Å²	46	64.1 Å²	64.1	22%	0.215	36%	0.356	C	S	.	.			trans	-100.1	145.2	-177	-178.8	59.7	-84.1	0	0	111.8	S307 H313 F314 K315 A316 S343	S307-E309 PolarHBondContact O-N 3.35Å; S307-E309 PolarHBondContact OG-N 2.88Å; E309-H313 VanDerWaalsContact OE1-C 3.25Å; E309-H313 WeakPolarHBondContact OE1-CA 3.47Å; E309-F314 PolarHBondContact OE1-N 3.44Å; E309-K315 WeakPolarHBondContact OE1-CB 3.11Å; E309-K315 PolarHBondContact OE1-N 3.19Å; E309-K315 WeakPolarHBondContact OE2-CB 3.49Å; E309-K315 PolarHBondContact OE2-N 2.84Å; E309-A316 VanDerWaalsContact OE2-CB 3.23Å; E309-A316 WeakPolarHBondContact OE2-CB 3.32Å; E309-A316 PolarHBondContact OE2-N 3.21Å; E309-S343 WeakPolarHBondContact O-CB 3.23Å
310	S	98	Very high	91.5	Very high	6 Å²	6	60.6 Å²	60.6	4%	0.042	35%	0.35	C	S	.	.			trans	-84	159	178.3	61.1	0	0	0	0	113.6	T312 H313 F314 S343	S310-T312 PolarHBondContact O-N 2.87Å; S310-T312 VanDerWaalsContact O-N 3.15Å; S310-T312 PolarHBondContact OG-OG1 3.29Å; S310-T312 VanDerWaalsContact OG-OG1 3.04Å; S310-H313 PolarHBondContact O-N 2.97Å; S310-H313 VanDerWaalsContact O-N 3.15Å; S310-H313 PolarHBondContact OG-N 2.61Å; S310-F314 PolarHBondContact OG-N 3.39Å; S310-S343 WeakPolarHBondContact CA-O 3.48Å; S310-S343 WeakPolarHBondContact CB-O 3.4Å
311	T	97.4	Very high	91.7	Very high	112 Å²	112	59.2 Å²	59.2	69%	0.687	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-24.3	168.8	53.3	0	0	0	0	112.6
312	T	98.3	Very high	92.3	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.006	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-0.9	-179.1	59.8	0	0	0	0	114.6	S310 F314 T345 V347 Y348 A542	S310-T312 PolarHBondContact O-N 2.87Å; S310-T312 VanDerWaalsContact O-N 3.15Å; S310-T312 PolarHBondContact OG-OG1 3.29Å; S310-T312 VanDerWaalsContact OG-OG1 3.04Å; T312-F314 PolarHBondContact O-N 3.17Å; T312-T345 WeakPolarHBondContact CG2-O 3.43Å; T312-T345 PolarHBondContact OG1-O 3.27Å; T312-V347 WeakPolarHBondContact CB-O 3.39Å; T312-V347 PolarHBondContact OG1-O 3.24Å; T312-V347 VanDerWaalsContact OG1-O 3.14Å; T312-Y348 HydrophobicContact CG2-CD1 4.29Å; T312-Y348 HydrophobicContact CG2-CD2 3.96Å; T312-Y348 HydrophobicContact CG2-CE1 4.15Å; T312-Y348 HydrophobicContact CG2-CE2 3.77Å; T312-Y348 HydrophobicContact CG2-CG 4.22Å; T312-Y348 WeakPolarHBondContact O-CD1 3.38Å; T312-A542 HydrophobicContact CG2-CB 4.2Å
313	H	98.5	Very high	93.5	Very high	113 Å²	113	53.2 Å²	53.2	52%	0.523	31%	0.305	S	S	.	.			trans	59.9	19.4	-175.7	-71.1	52.8	0	0	0	115	E309 S310 K315 A316 D317	E309-H313 VanDerWaalsContact OE1-C 3.25Å; E309-H313 WeakPolarHBondContact OE1-CA 3.47Å; S310-H313 PolarHBondContact O-N 2.97Å; S310-H313 VanDerWaalsContact O-N 3.15Å; S310-H313 PolarHBondContact OG-N 2.61Å; H313-K315 VanDerWaalsContact C-N 3.29Å; H313-K315 PolarHBondContact O-N 2.95Å; H313-A316 PolarHBondContact O-N 3.26Å; H313-D317 WeakPolarHBondContact O-CB 3.26Å; H313-D317 PolarHBondContact O-N 3.36Å
314	F	98.8	Very high	94.9	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-57.6	-34.7	-174.8	-174.5	-85.3	0	0	0	113.8	V272 I274 W292 E309 S310 T312 L318 L342 T345 V347 L349 V536	V272-F314 HydrophobicContact CG1-CZ 4.33Å; I274-F314 HydrophobicContact CD1-CE2 4.47Å; I274-F314 HydrophobicContact CD1-CZ 4.3Å; W292-F314 HydrophobicContact CH2-CE1 4.17Å; W292-F314 AromaticContact CH2-CE2 3.81Å; W292-F314 HydrophobicContact CH2-CE2 3.81Å; W292-F314 AromaticContact CH2-CZ 3.5Å; W292-F314 HydrophobicContact CH2-CZ 3.5Å; W292-F314 HydrophobicContact CZ3-CE2 4.02Å; W292-F314 AromaticContact CZ3-CZ 3.62Å; W292-F314 HydrophobicContact CZ3-CZ 3.62Å; E309-F314 PolarHBondContact OE1-N 3.44Å; S310-F314 PolarHBondContact OG-N 3.39Å; T312-F314 PolarHBondContact O-N 3.17Å; F314-L318 HydrophobicContact CE1-CB 4.46Å; F314-L318 HydrophobicContact CE1-CD2 3.95Å; F314-L318 WeakPolarHBondContact O-CB 3.46Å; F314-L318 PolarHBondContact O-N 3.29Å; F314-L342 HydrophobicContact CD1-CD2 4.17Å; F314-L342 HydrophobicContact CE1-CD2 4.4Å; F314-T345 HydrophobicContact CB-CG2 3.69Å; F314-T345 HydrophobicContact CD1-CG2 3.85Å; F314-T345 HydrophobicContact CD2-CG2 3.67Å; F314-T345 HydrophobicContact CE1-CG2 4.38Å; F314-T345 HydrophobicContact CE2-CG2 4.22Å; F314-T345 HydrophobicContact CG-CG2 3.47Å; F314-T345 VanDerWaalsContact CG-CG2 3.47Å; F314-V347 HydrophobicContact CD2-CG2 4.26Å; F314-V347 WeakPolarHBondContact CD2-O 3.41Å; F314-V347 HydrophobicContact CE2-CG2 4.2Å; F314-L349 HydrophobicContact CD2-CB 4Å; F314-L349 HydrophobicContact CD2-CD1 4.35Å; F314-L349 HydrophobicContact CE2-CB 4.24Å; F314-L349 HydrophobicContact CE2-CD1 3.72Å; F314-L349 HydrophobicContact CZ-CD1 4.23Å; F314-V536 HydrophobicContact CE2-CG1 4.19Å
315	K	98.8	Very high	96	Very high	9 Å²	9	48.7 Å²	48.7	4%	0.039	27%	0.266	C	S	.	.	H	α-helix	trans	-69.1	-50	-179.3	-178.6	173.6	174.3	172.3	0	110.9	S307 G308 E309 H313 L318 I319 I337 H338 H340 L342	S307-K315 PolarHBondContact O-NZ 3.36Å; G308-K315 WeakPolarHBondContact O-CD 3.39Å; E309-K315 WeakPolarHBondContact OE1-CB 3.11Å; E309-K315 PolarHBondContact OE1-N 3.19Å; E309-K315 WeakPolarHBondContact OE2-CB 3.49Å; E309-K315 PolarHBondContact OE2-N 2.84Å; H313-K315 VanDerWaalsContact C-N 3.29Å; H313-K315 PolarHBondContact O-N 2.95Å; K315-L318 PolarHBondContact O-N 3.06Å; K315-I319 HydrophobicContact CG-CD1 3.93Å; K315-I319 WeakPolarHBondContact O-CB 3.23Å; K315-I319 WeakPolarHBondContact O-CD1 3.17Å; K315-I319 VanDerWaalsContact O-CG1 3.28Å; K315-I319 WeakPolarHBondContact O-CG1 3.41Å; K315-I319 PolarHBondContact O-N 3.34Å; K315-I337 WeakPolarHBondContact CE-O 3.2Å; K315-I337 HydrophobicContact CG-CG2 4.01Å; K315-I337 PolarHBondContact NZ-O 2.93Å; K315-H338 PolarHBondContact NZ-O 2.84Å; K315-H340 PolarHBondContact NZ-O 3.15Å; K315-L342 HydrophobicContact CB-CB 4.03Å; K315-L342 HydrophobicContact CB-CD2 4.03Å; K315-L342 HydrophobicContact CD-CB 4.3Å; K315-L342 HydrophobicContact CD-CD1 4.32Å; K315-L342 HydrophobicContact CG-CB 4.46Å; K315-L342 HydrophobicContact CG-CD2 4.17Å
316	A	98.7	Very high	97.2	Very high	47 Å²	47	44.9 Å²	44.9	39%	0.388	25%	0.253	S	S	.	.	H	α-helix	trans	-63.2	-41.1	176.3	0	0	0	0	0	112.1	E309 H313 I319 S320	E309-A316 VanDerWaalsContact OE2-CB 3.23Å; E309-A316 WeakPolarHBondContact OE2-CB 3.32Å; E309-A316 PolarHBondContact OE2-N 3.21Å; H313-A316 PolarHBondContact O-N 3.26Å; A316-I319 PolarHBondContact O-N 3.35Å; A316-S320 VanDerWaalsContact O-CB 3.24Å; A316-S320 WeakPolarHBondContact O-CB 3.4Å; A316-S320 PolarHBondContact O-N 2.93Å
317	D	98.8	Very high	97.8	Very high	32 Å²	32	39.2 Å²	39.2	17%	0.171	23%	0.232	C	C	.	.	H	α-helix	trans	-67.2	-38.5	177	-75	-50.7	0	0	0	112.3	H313 S320 Y321 L349 R369	H313-D317 WeakPolarHBondContact O-CB 3.26Å; H313-D317 PolarHBondContact O-N 3.36Å; D317-S320 WeakPolarHBondContact O-CB 3.24Å; D317-S320 PolarHBondContact O-N 3.32Å; D317-Y321 WeakPolarHBondContact O-CB 3.18Å; D317-Y321 PolarHBondContact O-N 3.28Å; D317-L349 HydrophobicContact CB-CB 4.02Å; D317-L349 HydrophobicContact CB-CD2 4.07Å; D317-R369 VanDerWaalsContact CG-NH1 3.28Å; D317-R369 IonicContact OD1-CZ 3.41Å; D317-R369 IonicContact OD1-NH1 3.79Å; D317-R369 PolarHBondContact OD1-NH1 2.98Å; D317-R369 IonicContact OD1-NH2 2.63Å; D317-R369 IonicContact OD2-CZ 3.46Å; D317-R369 IonicContact OD2-NH1 2.62Å; D317-R369 PolarHBondContact OD2-NH1 3.05Å; D317-R369 IonicContact OD2-NH2 2.65Å; D317-R369 PolarHBondContact OD2-NH2 2.74Å
318	L	98.9	Very high	98.1	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-68.2	-41.4	175.3	-179.1	60.9	0	0	0	111.8	M261 V272 F314 K315 Y321 L322 I337 L349	M261-L318 HydrophobicContact CE-CD1 4.2Å; M261-L318 HydrophobicContact SD-CD1 3.9Å; V272-L318 HydrophobicContact CG1-CD2 4.49Å; V272-L318 HydrophobicContact CG2-CD2 3.92Å; F314-L318 HydrophobicContact CE1-CB 4.46Å; F314-L318 HydrophobicContact CE1-CD2 3.95Å; F314-L318 WeakPolarHBondContact O-CB 3.46Å; F314-L318 PolarHBondContact O-N 3.29Å; K315-L318 PolarHBondContact O-N 3.06Å; L318-Y321 WeakPolarHBondContact O-CB 3.34Å; L318-Y321 PolarHBondContact O-N 3.13Å; L318-L322 HydrophobicContact CG-CD1 4.45Å; L318-L322 WeakPolarHBondContact O-CG 3.34Å; L318-L322 PolarHBondContact O-N 2.66Å; L318-I337 HydrophobicContact CD2-CD1 3.86Å; L318-I337 HydrophobicContact CG-CD1 4.11Å; L318-L349 HydrophobicContact CB-CD2 4.04Å; L318-L349 HydrophobicContact CD1-CD2 4.31Å
319	I	98.9	Very high	98.1	Very high	23 Å²	23	41.7 Å²	41.7	12%	0.118	25%	0.246	C	C	.	.	H	α-helix	trans	-62.5	-45	173.7	-70.2	162.6	0	0	0	110.4	K315 A316 Y321 L322 M323 I334 I337	K315-I319 HydrophobicContact CG-CD1 3.93Å; K315-I319 WeakPolarHBondContact O-CB 3.23Å; K315-I319 WeakPolarHBondContact O-CD1 3.17Å; K315-I319 VanDerWaalsContact O-CG1 3.28Å; K315-I319 WeakPolarHBondContact O-CG1 3.41Å; K315-I319 PolarHBondContact O-N 3.34Å; A316-I319 PolarHBondContact O-N 3.35Å; I319-Y321 VanDerWaalsContact C-N 3.31Å; I319-Y321 PolarHBondContact O-N 2.97Å; I319-L322 PolarHBondContact O-N 2.92Å; I319-M323 HydrophobicContact CG2-CG 4.25Å; I319-M323 WeakPolarHBondContact O-CB 3.33Å; I319-M323 VanDerWaalsContact O-CG 3.24Å; I319-M323 WeakPolarHBondContact O-CG 3.29Å; I319-M323 PolarHBondContact O-N 2.84Å; I319-I334 HydrophobicContact CG1-CG2 4.44Å; I319-I334 HydrophobicContact CG2-CG2 3.85Å; I319-I337 HydrophobicContact CD1-CG2 4.01Å; I319-I337 HydrophobicContact CG1-CB 4.43Å; I319-I337 HydrophobicContact CG1-CG2 3.85Å
320	S	98.8	Very high	98.1	Very high	47 Å²	47	39.6 Å²	39.6	33%	0.329	24%	0.236	S	C	.	.	H	α-helix	trans	-57.7	-43.3	174.7	-177	0	0	0	0	111.7	A316 D317 M323 A324	A316-S320 VanDerWaalsContact O-CB 3.24Å; A316-S320 WeakPolarHBondContact O-CB 3.4Å; A316-S320 PolarHBondContact O-N 2.93Å; D317-S320 WeakPolarHBondContact O-CB 3.24Å; D317-S320 PolarHBondContact O-N 3.32Å; S320-M323 PolarHBondContact O-N 2.83Å; S320-A324 PolarHBondContact O-N 3.33Å
321	Y	98.9	Very high	98	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-61.3	-46.8	176.4	-176.6	-101.7	0	0	0	112.8	T259 D317 L318 I319 A324 Y325 S352 T353 W365 E533 L534	T259-Y321 HydrophobicContact CG2-CE1 4.25Å; T259-Y321 PolarHBondContact OG1-OH 2.99Å; D317-Y321 WeakPolarHBondContact O-CB 3.18Å; D317-Y321 PolarHBondContact O-N 3.28Å; L318-Y321 WeakPolarHBondContact O-CB 3.34Å; L318-Y321 PolarHBondContact O-N 3.13Å; I319-Y321 VanDerWaalsContact C-N 3.31Å; I319-Y321 PolarHBondContact O-N 2.97Å; Y321-A324 WeakPolarHBondContact O-CB 3.07Å; Y321-A324 PolarHBondContact O-N 3.38Å; Y321-Y325 HydrophobicContact CD1-CE2 4.12Å; Y321-Y325 AromaticContact CE1-CE2 3.62Å; Y321-Y325 HydrophobicContact CE1-CE2 3.62Å; Y321-Y325 AromaticContact CE1-CZ 4Å; Y321-Y325 WeakPolarHBondContact CE1-OH 3.38Å; Y321-Y325 AromaticContact CZ-CE2 3.88Å; Y321-Y325 VanDerWaalsContact O-CD2 3.32Å; Y321-Y325 WeakPolarHBondContact O-CD2 3.49Å; Y321-Y325 WeakPolarHBondContact O-CE2 3.42Å; Y321-Y325 PolarHBondContact OH-OH 3.09Å; Y321-S352 WeakPolarHBondContact CE2-O 3.2Å; Y321-T353 HydrophobicContact CD2-CG2 3.83Å; Y321-T353 HydrophobicContact CE2-CG2 3.72Å; Y321-W365 HydrophobicContact CD2-CH2 4.39Å; Y321-W365 AromaticContact CD2-CZ3 3.84Å; Y321-W365 HydrophobicContact CD2-CZ3 3.84Å; Y321-E533 WeakPolarHBondContact CE2-O 3.15Å; Y321-E533 PolarHBondContact OH-O 3.48Å; Y321-L534 HydrophobicContact CD1-CD1 4.02Å; Y321-L534 HydrophobicContact CD1-CD2 4.21Å; Y321-L534 HydrophobicContact CD2-CD1 3.84Å; Y321-L534 HydrophobicContact CE1-CD1 4.03Å; Y321-L534 HydrophobicContact CE1-CD2 3.98Å; Y321-L534 HydrophobicContact CE1-CG 4.47Å; Y321-L534 HydrophobicContact CE2-CD1 3.84Å; Y321-L534 HydrophobicContact CG-CD1 3.94Å
322	L	98.9	Very high	98	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	25%	0.25	C	C	.	.	H	α-helix	trans	-69.1	-37.5	178.1	-67	175.2	0	0	0	112.3	F197 M261 L263 L318 I319 A324 Y325 L330 I334 I337	F197-L322 HydrophobicContact CE1-CD2 3.69Å; F197-L322 HydrophobicContact CE2-CD2 4.47Å; F197-L322 HydrophobicContact CZ-CD2 3.41Å; F197-L322 VanDerWaalsContact CZ-CD2 3.41Å; M261-L322 HydrophobicContact CE-CD2 4.12Å; L263-L322 HydrophobicContact CD1-CD1 4.27Å; L318-L322 HydrophobicContact CG-CD1 4.45Å; L318-L322 WeakPolarHBondContact O-CG 3.34Å; L318-L322 PolarHBondContact O-N 2.66Å; I319-L322 PolarHBondContact O-N 2.92Å; L322-A324 PolarHBondContact O-N 3.18Å; L322-Y325 WeakPolarHBondContact O-CB 3.31Å; L322-Y325 PolarHBondContact O-N 2.81Å; L322-Y325 VanDerWaalsContact O-N 3.15Å; L322-L330 HydrophobicContact CD2-CD1 4.49Å; L322-I334 HydrophobicContact CB-CD1 3.7Å; L322-I334 HydrophobicContact CB-CG1 3.61Å; L322-I334 HydrophobicContact CD1-CG1 4Å; L322-I334 HydrophobicContact CG-CG1 4.47Å; L322-I337 HydrophobicContact CD1-CD1 3.42Å; L322-I337 VanDerWaalsContact CD1-CD1 3.42Å
323	M	98.6	Very high	98	Very high	110 Å²	110	45 Å²	45	54%	0.542	25%	0.251	S	S	.	.	H	α-helix	trans	-60	-32.9	176.7	-78.6	-70.5	-73.8	0	0	112.3	I319 S320 Y325 N326 I334	I319-M323 HydrophobicContact CG2-CG 4.25Å; I319-M323 WeakPolarHBondContact O-CB 3.33Å; I319-M323 VanDerWaalsContact O-CG 3.24Å; I319-M323 WeakPolarHBondContact O-CG 3.29Å; I319-M323 PolarHBondContact O-N 2.84Å; S320-M323 PolarHBondContact O-N 2.83Å; M323-Y325 PolarHBondContact O-N 2.77Å; M323-Y325 VanDerWaalsContact O-N 3.16Å; M323-N326 PolarHBondContact O-N 3.48Å; M323-I334 HydrophobicContact CG-CD1 3.73Å; M323-I334 HydrophobicContact SD-CD1 3.72Å
324	A	98.4	Very high	98	Very high	40 Å²	40	39.9 Å²	39.9	33%	0.331	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-12.3	178.4	0	0	0	0	0	114.7	S320 Y321 L322 T353 W365	S320-A324 PolarHBondContact O-N 3.33Å; Y321-A324 WeakPolarHBondContact O-CB 3.07Å; Y321-A324 PolarHBondContact O-N 3.38Å; L322-A324 PolarHBondContact O-N 3.18Å; A324-T353 HydrophobicContact CB-CG2 3.69Å; A324-W365 HydrophobicContact CB-CZ2 4.3Å
325	Y	98.4	Very high	97.9	Very high	4 Å²	4	42.9 Å²	42.9	2%	0.016	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-26.7	171.3	-71.3	-111.5	0	0	0	112.1	F197 V222 A248 H257 Y321 L322 M323 A327 L330 Y532	F197-Y325 HydrophobicContact CD1-CE1 4.46Å; F197-Y325 HydrophobicContact CE1-CE1 4.36Å; V222-Y325 HydrophobicContact CG1-CD1 4.24Å; V222-Y325 HydrophobicContact CG1-CE1 3.86Å; A248-Y325 HydrophobicContact CB-CD1 3.88Å; A248-Y325 HydrophobicContact CB-CE1 3.81Å; H257-Y325 AromaticContact CD2-CE1 3.79Å; H257-Y325 AromaticContact NE2-CE1 3.58Å; H257-Y325 AromaticContact NE2-CZ 3.85Å; H257-Y325 PolarHBondContact NE2-OH 2.77Å; Y321-Y325 HydrophobicContact CD1-CE2 4.12Å; Y321-Y325 AromaticContact CE1-CE2 3.62Å; Y321-Y325 HydrophobicContact CE1-CE2 3.62Å; Y321-Y325 AromaticContact CE1-CZ 4Å; Y321-Y325 WeakPolarHBondContact CE1-OH 3.38Å; Y321-Y325 AromaticContact CZ-CE2 3.88Å; Y321-Y325 VanDerWaalsContact O-CD2 3.32Å; Y321-Y325 WeakPolarHBondContact O-CD2 3.49Å; Y321-Y325 WeakPolarHBondContact O-CE2 3.42Å; Y321-Y325 PolarHBondContact OH-OH 3.09Å; L322-Y325 WeakPolarHBondContact O-CB 3.31Å; L322-Y325 PolarHBondContact O-N 2.81Å; L322-Y325 VanDerWaalsContact O-N 3.15Å; M323-Y325 PolarHBondContact O-N 2.77Å; M323-Y325 VanDerWaalsContact O-N 3.16Å; Y325-A327 PolarHBondContact O-N 2.79Å; Y325-L330 HydrophobicContact CD1-CD1 3.67Å; Y325-L330 HydrophobicContact CD2-CD1 4.09Å; Y325-L330 HydrophobicContact CE1-CD1 4.35Å; Y325-L330 HydrophobicContact CG-CD1 3.53Å; Y325-Y532 HydrophobicContact CD1-CE1 4.07Å; Y325-Y532 HydrophobicContact CD2-CD1 4.38Å; Y325-Y532 AromaticContact CD2-CE1 3.86Å; Y325-Y532 HydrophobicContact CD2-CE1 3.86Å; Y325-Y532 AromaticContact CE1-CD1 3.99Å; Y325-Y532 HydrophobicContact CE1-CD1 3.99Å; Y325-Y532 AromaticContact CE1-CE1 3.92Å; Y325-Y532 HydrophobicContact CE1-CE1 3.92Å; Y325-Y532 HydrophobicContact CE1-CG 4.36Å; Y325-Y532 AromaticContact CE2-CD1 3.73Å; Y325-Y532 HydrophobicContact CE2-CD1 3.73Å; Y325-Y532 AromaticContact CE2-CE1 3.67Å; Y325-Y532 HydrophobicContact CE2-CE1 3.67Å; Y325-Y532 HydrophobicContact CG-CE1 4.03Å; Y325-Y532 AromaticContact CZ-CD1 3.5Å; Y325-Y532 VanDerWaalsContact CZ-CD1 3.5Å; Y325-Y532 AromaticContact CZ-CE1 3.7Å
326	N	97.3	Very high	97.9	Very high	124 Å²	124	43.8 Å²	43.8	66%	0.663	25%	0.25	S	C	*	.			trans	47.1	59.1	-173.8	-175.1	9.3	0	0	0	111.3	K249 M323	K249-N326 PolarHBondContact NZ-O 2.95Å; M323-N326 PolarHBondContact O-N 3.48Å
327	A	96.6	Very high	97.9	Very high	21 Å²	21	41.5 Å²	41.5	17%	0.174	23%	0.231	C	C	.	.			trans	-132.3	126.5	-173.8	0	0	0	0	0	110.6	Y325 S329 L330 K331	Y325-A327 PolarHBondContact O-N 2.79Å; A327-S329 PolarHBondContact O-N 2.91Å; A327-L330 HydrophobicContact CB-CB 4.49Å; A327-L330 HydrophobicContact CB-CD1 4.36Å; A327-L330 HydrophobicContact CB-CG 4.37Å; A327-L330 PolarHBondContact O-N 3.06Å; A327-K331 PolarHBondContact O-N 3.2Å
328	P	95.3	Very high	97.8	Very high	110 Å²	110	44.7 Å²	44.7	71%	0.714	25%	0.245	S	C	*	.	H	α-helix	trans	-58.5	-42	-174.6	-27.8	35.7	0	0	0	114.6	L330 K331	P328-L330 PolarHBondContact O-N 2.94Å; P328-L330 VanDerWaalsContact O-N 3.14Å; P328-K331 VanDerWaalsContact O-CB 3.27Å; P328-K331 WeakPolarHBondContact O-CB 3.49Å; P328-K331 PolarHBondContact O-N 3.08Å
329	S	95.2	Very high	97.7	Very high	30 Å²	30	49 Å²	49	21%	0.21	27%	0.265	C	S	.	.	H	α-helix	trans	-64.2	-17.5	178.1	49.4	0	0	0	0	113.9	A327 W333	A327-S329 PolarHBondContact O-N 2.91Å; S329-W333 VanDerWaalsContact O-CD1 3.31Å
330	L	98.2	Very high	97.7	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-91.3	-16.9	172	-64.2	-177.2	0	0	0	113	F197 L220 V222 L322 Y325 A327 P328 E332 W333 I334	F197-L330 HydrophobicContact CE1-CD1 4.13Å; F197-L330 HydrophobicContact CE1-CD2 4.12Å; F197-L330 HydrophobicContact CZ-CD1 4.41Å; F197-L330 HydrophobicContact CZ-CD2 3.62Å; L220-L330 HydrophobicContact CD2-CD2 3.82Å; V222-L330 HydrophobicContact CG1-CD1 4.39Å; V222-L330 HydrophobicContact CG2-CD2 4.03Å; L322-L330 HydrophobicContact CD2-CD1 4.49Å; Y325-L330 HydrophobicContact CD1-CD1 3.67Å; Y325-L330 HydrophobicContact CD2-CD1 4.09Å; Y325-L330 HydrophobicContact CE1-CD1 4.35Å; Y325-L330 HydrophobicContact CG-CD1 3.53Å; A327-L330 HydrophobicContact CB-CB 4.49Å; A327-L330 HydrophobicContact CB-CD1 4.36Å; A327-L330 HydrophobicContact CB-CG 4.37Å; A327-L330 PolarHBondContact O-N 3.06Å; P328-L330 PolarHBondContact O-N 2.94Å; P328-L330 VanDerWaalsContact O-N 3.14Å; L330-E332 VanDerWaalsContact C-N 3.32Å; L330-W333 PolarHBondContact O-N 2.94Å; L330-I334 WeakPolarHBondContact O-CD1 3.4Å; L330-I334 WeakPolarHBondContact O-CG1 3.25Å; L330-I334 PolarHBondContact O-N 3.28Å
331	K	97.3	Very high	97.6	Very high	95 Å²	95	47 Å²	47	41%	0.413	25%	0.251	S	S	.	.	H	α-helix	trans	-65.3	-38.4	170.3	-177.5	56.9	169.4	70	0	111.1	A327 P328 W333 I334 D335	A327-K331 PolarHBondContact O-N 3.2Å; P328-K331 VanDerWaalsContact O-CB 3.27Å; P328-K331 WeakPolarHBondContact O-CB 3.49Å; P328-K331 PolarHBondContact O-N 3.08Å; K331-W333 VanDerWaalsContact C-N 3.3Å; K331-W333 PolarHBondContact O-N 2.8Å; K331-I334 HydrophobicContact CD-CB 4.48Å; K331-I334 HydrophobicContact CD-CG2 4.41Å; K331-I334 WeakPolarHBondContact O-CB 3.2Å; K331-I334 PolarHBondContact O-N 2.59Å; K331-D335 IonicContact NZ-OD1 3.52Å; K331-D335 PolarHBondContact NZ-OD1 2.91Å; K331-D335 IonicContact NZ-OD2 2.72Å; K331-D335 PolarHBondContact NZ-OD2 2.92Å; K331-D335 VanDerWaalsContact O-CG 3.31Å; K331-D335 PolarHBondContact O-N 3.26Å
332	E	95.9	Very high	97.6	Very high	128 Å²	128	47 Å²	47	60%	0.598	25%	0.251	S	S	*	.	H	α-helix	trans	-57.5	-41.6	172.4	-64.1	167.5	-165.5	0	0	112	L330 T336	L330-E332 VanDerWaalsContact C-N 3.32Å; E332-T336 WeakPolarHBondContact O-CB 3.4Å; E332-T336 PolarHBondContact O-N 3.06Å; E332-T336 PolarHBondContact O-OG1 3Å
333	W	98.7	Very high	97.6	Very high	11 Å²	11	49.2 Å²	49.2	4%	0.042	27%	0.266	C	S	.	.	H	α-helix	trans	-72.8	-34.7	175.2	-75.1	97.1	0	0	0	113.2	S193 A195 L263 L265 L270 S329 L330 K331 T336 I337	S193-W333 WeakPolarHBondContact OG-CZ2 3.36Å; A195-W333 HydrophobicContact CB-CD2 4.14Å; A195-W333 HydrophobicContact CB-CG 4.5Å; A195-W333 HydrophobicContact CB-CZ2 3.93Å; L263-W333 HydrophobicContact CB-CD2 4.23Å; L263-W333 HydrophobicContact CB-CE3 3.56Å; L263-W333 HydrophobicContact CB-CH2 4.26Å; L263-W333 HydrophobicContact CB-CZ3 3.57Å; L263-W333 HydrophobicContact CD1-CB 3.93Å; L263-W333 HydrophobicContact CD1-CD2 3.92Å; L263-W333 HydrophobicContact CD1-CE3 3.76Å; L263-W333 HydrophobicContact CD1-CG 3.99Å; L263-W333 HydrophobicContact CG-CE3 4.31Å; L265-W333 HydrophobicContact CB-CH2 3.99Å; L265-W333 HydrophobicContact CB-CZ3 3.98Å; L270-W333 HydrophobicContact CD1-CZ3 4.22Å; S329-W333 VanDerWaalsContact O-CD1 3.31Å; L330-W333 PolarHBondContact O-N 2.94Å; K331-W333 VanDerWaalsContact C-N 3.3Å; K331-W333 PolarHBondContact O-N 2.8Å; W333-T336 WeakPolarHBondContact O-CB 3.43Å; W333-T336 PolarHBondContact O-N 3.14Å; W333-I337 WeakPolarHBondContact O-CD1 3.3Å; W333-I337 VanDerWaalsContact O-CG1 3.23Å; W333-I337 WeakPolarHBondContact O-CG1 3.25Å; W333-I337 PolarHBondContact O-N 3.32Å
334	I	98.7	Very high	97.5	Very high	5 Å²	5	51 Å²	51	3%	0.026	27%	0.273	C	S	.	.	H	α-helix	trans	-62.2	-44.3	171.8	-73.9	156.1	0	0	0	110.7	I319 L322 M323 L330 K331 I337 H338	I319-I334 HydrophobicContact CG1-CG2 4.44Å; I319-I334 HydrophobicContact CG2-CG2 3.85Å; L322-I334 HydrophobicContact CB-CD1 3.7Å; L322-I334 HydrophobicContact CB-CG1 3.61Å; L322-I334 HydrophobicContact CD1-CG1 4Å; L322-I334 HydrophobicContact CG-CG1 4.47Å; M323-I334 HydrophobicContact CG-CD1 3.73Å; M323-I334 HydrophobicContact SD-CD1 3.72Å; L330-I334 WeakPolarHBondContact O-CD1 3.4Å; L330-I334 WeakPolarHBondContact O-CG1 3.25Å; L330-I334 PolarHBondContact O-N 3.28Å; K331-I334 HydrophobicContact CD-CB 4.48Å; K331-I334 HydrophobicContact CD-CG2 4.41Å; K331-I334 WeakPolarHBondContact O-CB 3.2Å; K331-I334 PolarHBondContact O-N 2.59Å; I334-I337 PolarHBondContact O-N 3.33Å; I334-H338 PolarHBondContact O-CD2 3.42Å; I334-H338 PolarHBondContact O-N 3.05Å
335	D	97.8	Very high	97.5	Very high	62 Å²	62	49.1 Å²	49.1	33%	0.332	26%	0.258	S	S	.	.	H	α-helix	trans	-66.1	-41.5	177.2	-66.9	-30.7	0	0	0	111.1	K331 I337 H338 E339	K331-D335 IonicContact NZ-OD1 3.52Å; K331-D335 PolarHBondContact NZ-OD1 2.91Å; K331-D335 IonicContact NZ-OD2 2.72Å; K331-D335 PolarHBondContact NZ-OD2 2.92Å; K331-D335 VanDerWaalsContact O-CG 3.31Å; K331-D335 PolarHBondContact O-N 3.26Å; D335-I337 VanDerWaalsContact C-N 3.32Å; D335-I337 PolarHBondContact O-N 3.02Å; D335-H338 WeakPolarHBondContact O-CB 3.42Å; D335-H338 PolarHBondContact O-N 2.93Å; D335-H338 VanDerWaalsContact O-N 3.16Å; D335-E339 PolarHBondContact O-N 2.89Å; D335-E339 VanDerWaalsContact O-N 3.13Å
336	T	98.1	Very high	97.4	Very high	28 Å²	28	51.1 Å²	51.1	17%	0.172	27%	0.269	C	S	.	.	H	α-helix	trans	-56	-44.5	169.8	-56.5	0	0	0	0	111.5	L265 L270 E332 W333 E339 H340	L265-T336 HydrophobicContact CD1-CG2 3.82Å; L265-T336 HydrophobicContact CD2-CG2 4.04Å; L265-T336 HydrophobicContact CG-CG2 4.4Å; L270-T336 HydrophobicContact CD1-CG2 4.43Å; E332-T336 WeakPolarHBondContact O-CB 3.4Å; E332-T336 PolarHBondContact O-N 3.06Å; E332-T336 PolarHBondContact O-OG1 3Å; W333-T336 WeakPolarHBondContact O-CB 3.43Å; W333-T336 PolarHBondContact O-N 3.14Å; T336-E339 PolarHBondContact O-N 2.76Å; T336-H340 PolarHBondContact O-ND1 3Å
337	I	98.4	Very high	97.5	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-67.7	-37.7	177.6	-69.2	157.4	0	0	0	111.4	L263 L270 K315 L318 I319 L322 W333 I334 D335 E339 H340 L342	L263-I337 HydrophobicContact CD1-CD1 4.47Å; L270-I337 HydrophobicContact CD2-CB 4.46Å; L270-I337 HydrophobicContact CD2-CG1 3.75Å; K315-I337 WeakPolarHBondContact CE-O 3.2Å; K315-I337 HydrophobicContact CG-CG2 4.01Å; K315-I337 PolarHBondContact NZ-O 2.93Å; L318-I337 HydrophobicContact CD2-CD1 3.86Å; L318-I337 HydrophobicContact CG-CD1 4.11Å; I319-I337 HydrophobicContact CD1-CG2 4.01Å; I319-I337 HydrophobicContact CG1-CB 4.43Å; I319-I337 HydrophobicContact CG1-CG2 3.85Å; L322-I337 HydrophobicContact CD1-CD1 3.42Å; L322-I337 VanDerWaalsContact CD1-CD1 3.42Å; W333-I337 WeakPolarHBondContact O-CD1 3.3Å; W333-I337 VanDerWaalsContact O-CG1 3.23Å; W333-I337 WeakPolarHBondContact O-CG1 3.25Å; W333-I337 PolarHBondContact O-N 3.32Å; I334-I337 PolarHBondContact O-N 3.33Å; D335-I337 VanDerWaalsContact C-N 3.32Å; D335-I337 PolarHBondContact O-N 3.02Å; I337-E339 VanDerWaalsContact C-N 3.26Å; I337-E339 PolarHBondContact O-N 3.06Å; I337-H340 PolarHBondContact O-N 3.15Å; I337-L342 HydrophobicContact CG2-CD2 4.14Å
338	H	97.3	Very high	97.6	Very high	99 Å²	99	44.9 Å²	44.9	46%	0.458	23%	0.231	S	C	.	.	H	α-helix	trans	-56.6	-40.9	174.6	-84	-69.7	0	0	0	111.8	K315 I334 D335 H340	K315-H338 PolarHBondContact NZ-O 2.84Å; I334-H338 PolarHBondContact O-CD2 3.42Å; I334-H338 PolarHBondContact O-N 3.05Å; D335-H338 WeakPolarHBondContact O-CB 3.42Å; D335-H338 PolarHBondContact O-N 2.93Å; D335-H338 VanDerWaalsContact O-N 3.16Å; H338-H340 VanDerWaalsContact C-N 3.28Å; H338-H340 PolarHBondContact O-N 3.04Å
339	E	96.7	Very high	97.8	Very high	89 Å²	89	39.8 Å²	39.8	42%	0.416	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-9.3	178.9	-68.2	-173.4	-175.8	0	0	115.6	R299 I300 D335 T336 I337	R299-E339 HydrophobicContact CG-CB 4.38Å; R299-E339 WeakPolarHBondContact CG-O 3.46Å; R299-E339 IonicContact CZ-OE2 3.57Å; R299-E339 IonicContact NE-OE2 2.77Å; R299-E339 PolarHBondContact NE-OE2 2.94Å; R299-E339 VanDerWaalsContact NH2-CD 3.28Å; R299-E339 IonicContact NH2-OE1 3.55Å; R299-E339 PolarHBondContact NH2-OE1 3.26Å; R299-E339 IonicContact NH2-OE2 3.17Å; R299-E339 PolarHBondContact NH2-OE2 3.17Å; I300-E339 WeakPolarHBondContact CB-O 3.35Å; I300-E339 PolarHBondContact N-O 2.94Å; D335-E339 PolarHBondContact O-N 2.89Å; D335-E339 VanDerWaalsContact O-N 3.13Å; T336-E339 PolarHBondContact O-N 2.76Å; I337-E339 VanDerWaalsContact C-N 3.26Å; I337-E339 PolarHBondContact O-N 3.06Å
340	H	98	Very high	98	Very high	5 Å²	5	38.5 Å²	38.5	2%	0.023	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-111.2	149.5	-174.9	-71.1	80.6	0	0	0	113.6	L270 Y297 P298 R299 K315 T336 I337 H338 L342	L270-H340 HydrophobicContact CB-CB 4.21Å; L270-H340 HydrophobicContact CD2-CB 4.19Å; Y297-H340 PolarHBondContact O-CD2 3.1Å; P298-H340 CarbonylContact O-C 3.6Å; P298-H340 WeakPolarHBondContact O-CA 3.45Å; R299-H340 PolarHBondContact N-CD2 3.06Å; K315-H340 PolarHBondContact NZ-O 3.15Å; T336-H340 PolarHBondContact O-ND1 3Å; I337-H340 PolarHBondContact O-N 3.15Å; H338-H340 VanDerWaalsContact C-N 3.28Å; H338-H340 PolarHBondContact O-N 3.04Å; H340-L342 HydrophobicContact CB-CD1 3.76Å; H340-L342 WeakPolarHBondContact O-CD1 3.43Å
341	D	98	Very high	98	Very high	25 Å²	25	38.7 Å²	38.7	13%	0.134	19%	0.191	C	C	.	.			trans	-90	108.1	177.8	-160.2	-31.7	0	0	0	110.3	Y297 P298 I300 G308 S343	Y297-D341 WeakPolarHBondContact CB-O 3.41Å; Y297-D341 WeakPolarHBondContact CD1-O 3.48Å; P298-D341 HydrophobicContact CG-CB 4.19Å; P298-D341 PolarHBondContact O-N 3.47Å; I300-D341 HydrophobicContact CG1-CB 4.02Å; G308-D341 VanDerWaalsContact CA-OD1 3.29Å; G308-D341 WeakPolarHBondContact CA-OD1 3.41Å; D341-S343 WeakPolarHBondContact OD1-CB 3.35Å; D341-S343 PolarHBondContact OD1-N 3.17Å; D341-S343 VanDerWaalsContact OD1-N 3.1Å; D341-S343 PolarHBondContact OD1-OG 2.77Å
342	L	98.4	Very high	98.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.172	C	C	.	.			trans	-101.8	12.2	-177.7	-79.7	69.9	0	0	0	112.1	Y297 G308 F314 K315 I337 H340 E344 T345	Y297-L342 HydrophobicContact CD1-CB 4.13Å; Y297-L342 HydrophobicContact CD1-CD1 4.45Å; Y297-L342 HydrophobicContact CD1-CG 3.86Å; Y297-L342 HydrophobicContact CD2-CD1 4.16Å; Y297-L342 HydrophobicContact CD2-CD2 4.4Å; Y297-L342 HydrophobicContact CD2-CG 3.77Å; Y297-L342 HydrophobicContact CE1-CB 3.99Å; Y297-L342 HydrophobicContact CE1-CG 3.88Å; Y297-L342 HydrophobicContact CE2-CD2 4.12Å; Y297-L342 HydrophobicContact CE2-CG 3.81Å; Y297-L342 HydrophobicContact CG-CD1 4Å; Y297-L342 HydrophobicContact CG-CG 3.75Å; G308-L342 WeakPolarHBondContact O-CA 3.48Å; G308-L342 PolarHBondContact O-N 3.04Å; F314-L342 HydrophobicContact CD1-CD2 4.17Å; F314-L342 HydrophobicContact CE1-CD2 4.4Å; K315-L342 HydrophobicContact CB-CB 4.03Å; K315-L342 HydrophobicContact CB-CD2 4.03Å; K315-L342 HydrophobicContact CD-CB 4.3Å; K315-L342 HydrophobicContact CD-CD1 4.32Å; K315-L342 HydrophobicContact CG-CB 4.46Å; K315-L342 HydrophobicContact CG-CD2 4.17Å; I337-L342 HydrophobicContact CG2-CD2 4.14Å; H340-L342 HydrophobicContact CB-CD1 3.76Å; H340-L342 WeakPolarHBondContact O-CD1 3.43Å; L342-E344 VanDerWaalsContact C-N 3.3Å; L342-E344 PolarHBondContact O-N 2.66Å; L342-T345 WeakPolarHBondContact O-CB 3.18Å; L342-T345 PolarHBondContact O-N 2.93Å; L342-T345 VanDerWaalsContact O-N 3.16Å; L342-T345 PolarHBondContact O-OG1 2.66Å
343	S	97.6	Very high	98.2	Very high	46 Å²	46	28.4 Å²	28.4	32%	0.322	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-32.3	-170.3	51.6	0	0	0	0	115.2	E309 S310 D341 T345	E309-S343 WeakPolarHBondContact O-CB 3.23Å; S310-S343 WeakPolarHBondContact CA-O 3.48Å; S310-S343 WeakPolarHBondContact CB-O 3.4Å; D341-S343 WeakPolarHBondContact OD1-CB 3.35Å; D341-S343 PolarHBondContact OD1-N 3.17Å; D341-S343 VanDerWaalsContact OD1-N 3.1Å; D341-S343 PolarHBondContact OD1-OG 2.77Å; S343-T345 PolarHBondContact O-N 3Å
344	E	97	Very high	98.2	Very high	147 Å²	147	29.2 Å²	29.2	69%	0.687	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.4	7.1	177	-62.2	-61	139.5	0	0	114.7	P295 L342 N346	P295-E344 HydrophobicContact CG-CB 4.28Å; L342-E344 VanDerWaalsContact C-N 3.3Å; L342-E344 PolarHBondContact O-N 2.66Å; E344-N346 PolarHBondContact O-N 2.75Å
345	T	98.4	Very high	98.2	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.012	16%	0.157	C	C	.	.			trans	-81.3	107.7	-175.9	-48	0	0	0	0	112.8	W292 Y297 T312 F314 L342 S343 V347	W292-T345 HydrophobicContact CH2-CG2 4.27Å; W292-T345 HydrophobicContact CZ2-CG2 4.11Å; Y297-T345 VanDerWaalsContact CE1-OG1 3.27Å; Y297-T345 WeakPolarHBondContact CE1-OG1 3.24Å; Y297-T345 PolarHBondContact OH-OG1 3.21Å; T312-T345 WeakPolarHBondContact CG2-O 3.43Å; T312-T345 PolarHBondContact OG1-O 3.27Å; F314-T345 HydrophobicContact CB-CG2 3.69Å; F314-T345 HydrophobicContact CD1-CG2 3.85Å; F314-T345 HydrophobicContact CD2-CG2 3.67Å; F314-T345 HydrophobicContact CE1-CG2 4.38Å; F314-T345 HydrophobicContact CE2-CG2 4.22Å; F314-T345 HydrophobicContact CG-CG2 3.47Å; F314-T345 VanDerWaalsContact CG-CG2 3.47Å; L342-T345 WeakPolarHBondContact O-CB 3.18Å; L342-T345 PolarHBondContact O-N 2.93Å; L342-T345 VanDerWaalsContact O-N 3.16Å; L342-T345 PolarHBondContact O-OG1 2.66Å; S343-T345 PolarHBondContact O-N 3Å; T345-V347 HydrophobicContact CG2-CG2 3.94Å
346	N	97.6	Very high	98.2	Very high	46 Å²	46	32.3 Å²	32.3	25%	0.246	16%	0.163	C	C	.	.			trans	-92.2	11.6	-177.4	60.9	14.3	0	0	0	115.2	E344 A542 F543	E344-N346 PolarHBondContact O-N 2.75Å; N346-A542 WeakPolarHBondContact O-CB 3.46Å; N346-F543 HydrophobicContact CB-CE1 4.2Å; N346-F543 HydrophobicContact CB-CE2 4.25Å; N346-F543 HydrophobicContact CB-CZ 3.89Å; N346-F543 VanDerWaalsContact ND2-CE1 3.25Å; N346-F543 WeakPolarHBondContact ND2-CE1 3.44Å; N346-F543 VanDerWaalsContact O-CE2 3.29Å; N346-F543 WeakPolarHBondContact O-CE2 3.44Å
347	V	98.8	Very high	98.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.16	C	C	.	.	S	Bend	trans	-122.3	144.9	176.8	-61.5	0	0	0	0	112	W292 T312 F314 T345 V536 F538	W292-V347 HydrophobicContact CD2-CG2 4.27Å; W292-V347 HydrophobicContact CH2-CG2 4.09Å; W292-V347 HydrophobicContact CZ2-CG2 3.46Å; W292-V347 VanDerWaalsContact CZ2-CG2 3.46Å; T312-V347 WeakPolarHBondContact CB-O 3.39Å; T312-V347 PolarHBondContact OG1-O 3.24Å; T312-V347 VanDerWaalsContact OG1-O 3.14Å; F314-V347 HydrophobicContact CD2-CG2 4.26Å; F314-V347 WeakPolarHBondContact CD2-O 3.41Å; F314-V347 HydrophobicContact CE2-CG2 4.2Å; T345-V347 HydrophobicContact CG2-CG2 3.94Å; V347-V536 HydrophobicContact CB-CB 4.06Å; V347-V536 HydrophobicContact CG2-CB 3.89Å; V347-V536 HydrophobicContact CG2-CG1 3.87Å; V347-F538 HydrophobicContact CG1-CD1 3.48Å; V347-F538 VanDerWaalsContact CG1-CD1 3.48Å; V347-F538 HydrophobicContact CG1-CE1 3.33Å; V347-F538 HydrophobicContact CG1-CG 4.22Å; V347-F538 HydrophobicContact CG1-CZ 3.97Å
348	Y	98.9	Very high	98.2	Very high	13 Å²	13	37 Å²	37	5%	0.051	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	134.7	175.4	-65.5	-95.1	0	0	0	111	T312 L373 H377 V536 L537 L539 A542	T312-Y348 HydrophobicContact CG2-CD1 4.29Å; T312-Y348 HydrophobicContact CG2-CD2 3.96Å; T312-Y348 HydrophobicContact CG2-CE1 4.15Å; T312-Y348 HydrophobicContact CG2-CE2 3.77Å; T312-Y348 HydrophobicContact CG2-CG 4.22Å; T312-Y348 WeakPolarHBondContact O-CD1 3.38Å; Y348-L373 HydrophobicContact CD1-CD2 3.47Å; Y348-L373 VanDerWaalsContact CD1-CD2 3.47Å; Y348-L373 HydrophobicContact CE1-CD2 4.05Å; Y348-L373 HydrophobicContact CG-CD1 4.33Å; Y348-L373 HydrophobicContact CG-CD2 3.99Å; Y348-H377 AromaticContact CE1-CD2 3.6Å; Y348-H377 AromaticContact CE1-NE2 3.75Å; Y348-H377 HydrophobicContact CE2-CB 4.49Å; Y348-H377 AromaticContact CZ-CD2 3.82Å; Y348-H377 AromaticContact CZ-CG 3.75Å; Y348-H377 VanDerWaalsContact OH-CG 3.31Å; Y348-H377 PolarHBondContact OH-ND1 3.36Å; Y348-V536 WeakPolarHBondContact O-CA 3.17Å; Y348-L537 PolarHBondContact N-O 2.88Å; Y348-L537 PolarHBondContact O-N 3.3Å; Y348-L539 HydrophobicContact CD2-CB 4.36Å; Y348-L539 HydrophobicContact CD2-CD1 3.89Å; Y348-L539 HydrophobicContact CD2-CG 4.18Å; Y348-L539 HydrophobicContact CE2-CB 4.12Å; Y348-L539 HydrophobicContact CE2-CD1 3.71Å; Y348-L539 HydrophobicContact CE2-CG 4.23Å; Y348-A542 HydrophobicContact CE2-CB 4.16Å
349	L	98.9	Very high	98.2	Very high	3 Å²	3	34.9 Å²	34.9	2%	0.016	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	137.9	174.9	-162.6	69.1	0	0	0	111	I274 F314 D317 L318 R369 L534 V536	I274-L349 HydrophobicContact CD1-CD1 3.69Å; F314-L349 HydrophobicContact CD2-CB 4Å; F314-L349 HydrophobicContact CD2-CD1 4.35Å; F314-L349 HydrophobicContact CE2-CB 4.24Å; F314-L349 HydrophobicContact CE2-CD1 3.72Å; F314-L349 HydrophobicContact CZ-CD1 4.23Å; D317-L349 HydrophobicContact CB-CB 4.02Å; D317-L349 HydrophobicContact CB-CD2 4.07Å; L318-L349 HydrophobicContact CB-CD2 4.04Å; L318-L349 HydrophobicContact CD1-CD2 4.31Å; L349-R369 PolarHBondContact O-NE 3.49Å; L349-R369 PolarHBondContact O-NH2 2.72Å; L349-L534 HydrophobicContact CD1-CD1 3.72Å; L349-L534 HydrophobicContact CD1-CD2 4.32Å; L349-L534 HydrophobicContact CD1-CG 3.98Å; L349-L534 HydrophobicContact CD2-CD1 4.08Å; L349-L534 HydrophobicContact CG-CD1 3.88Å; L349-V536 HydrophobicContact CD1-CG1 4.46Å
350	I	98.9	Very high	98.2	Very high	4 Å²	4	35.2 Å²	35.2	2%	0.021	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	107.4	167.5	-58.2	-173.4	0	0	0	107.9	R369 L370 L373 L506 L534 G535 L537	I350-R369 HydrophobicContact CB-CG 4.48Å; I350-R369 HydrophobicContact CG1-CG 4.3Å; I350-R369 HydrophobicContact CG2-CG 4.18Å; I350-L370 HydrophobicContact CD1-CB 3.98Å; I350-L370 HydrophobicContact CD1-CD1 3.58Å; I350-L370 HydrophobicContact CD1-CG 4.34Å; I350-L373 HydrophobicContact CD1-CD1 4.02Å; I350-L373 HydrophobicContact CG1-CD1 3.74Å; I350-L506 HydrophobicContact CD1-CD1 4.21Å; I350-L506 HydrophobicContact CD1-CD2 4.29Å; I350-L534 CarbonylContact O-C 3.54Å; I350-G535 PolarHBondContact N-O 2.89Å; I350-G535 PolarHBondContact O-N 2.82Å; I350-L537 HydrophobicContact CD1-CB 3.8Å; I350-L537 HydrophobicContact CD1-CD1 4.46Å; I350-L537 HydrophobicContact CD1-CD2 4.21Å; I350-L537 HydrophobicContact CD1-CG 4.38Å; I350-L537 HydrophobicContact CG1-CB 4.23Å
351	G	98.8	Very high	98.2	Very high	4 Å²	4	40.1 Å²	40.1	4%	0.041	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	160.1	173.5	0	0	0	0	0	112.6	W365 G366 E533	G351-W365 WeakPolarHBondContact O-CA 3.39Å; G351-G366 PolarHBondContact O-N 2.73Å; G351-E533 WeakPolarHBondContact CA-O 3.17Å
352	S	98.9	Very high	98.2	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.021	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	142.3	158.1	-68.2	0	0	0	0	108.8	Y321 G366 A516 S531 Y532 E533	Y321-S352 WeakPolarHBondContact CE2-O 3.2Å; S352-G366 WeakPolarHBondContact OG-CA 3.37Å; S352-A516 VanDerWaalsContact CB-O 3.23Å; S352-A516 WeakPolarHBondContact CB-O 3.46Å; S352-A516 PolarHBondContact OG-O 3.46Å; S352-S531 CarbonylContact C-O 3.49Å; S352-Y532 VanDerWaalsContact O-CA 3.32Å; S352-Y532 WeakPolarHBondContact O-CA 3.28Å; S352-E533 PolarHBondContact N-O 2.8Å; S352-E533 PolarHBondContact O-N 3.49Å
353	T	98.8	Very high	98.2	Very high	5 Å²	5	43.2 Å²	43.2	3%	0.031	24%	0.238	C	C	.	.			trans	-134.5	144.3	175.1	61.2	0	0	0	0	108.9	Y321 A324 G355 F357 W365 I529 Y532	Y321-T353 HydrophobicContact CD2-CG2 3.83Å; Y321-T353 HydrophobicContact CE2-CG2 3.72Å; A324-T353 HydrophobicContact CB-CG2 3.69Å; T353-G355 PolarHBondContact O-N 2.92Å; T353-F357 WeakPolarHBondContact O-CE2 3.37Å; T353-W365 HydrophobicContact CG2-CD2 4.25Å; T353-W365 HydrophobicContact CG2-CE3 4.13Å; T353-W365 HydrophobicContact CG2-CH2 4.02Å; T353-W365 HydrophobicContact CG2-CZ2 4.09Å; T353-W365 HydrophobicContact CG2-CZ3 4.04Å; T353-W365 VanDerWaalsContact OG1-CE2 3.27Å; T353-W365 PolarHBondContact OG1-NE1 2.84Å; T353-I529 WeakPolarHBondContact O-CB 3.06Å; T353-I529 WeakPolarHBondContact O-CG2 3.5Å; T353-Y532 HydrophobicContact CG2-CD1 4.09Å; T353-Y532 HydrophobicContact CG2-CE1 4.17Å
354	P	98.6	Very high	98.2	Very high	27 Å²	27	44.3 Å²	44.3	18%	0.175	24%	0.24	C	C	.	.	S	Bend	trans	-60.9	126.3	-179.8	-19.9	30.7	0	0	0	111	L250 I529 R530 Y532	L250-P354 HydrophobicContact CD2-CG 3.89Å; P354-I529 WeakPolarHBondContact CA-O 3.44Å; P354-R530 WeakPolarHBondContact CB-O 3.44Å; P354-R530 WeakPolarHBondContact CG-O 3.17Å; P354-Y532 VanDerWaalsContact CD-CE2 3.48Å; P354-Y532 VanDerWaalsContact CD-CZ 3.44Å; P354-Y532 HydrophobicContact CG-CD2 3.67Å; P354-Y532 HydrophobicContact CG-CE1 4.46Å; P354-Y532 HydrophobicContact CG-CE2 3.49Å; P354-Y532 VanDerWaalsContact CG-CE2 3.49Å; P354-Y532 HydrophobicContact CG-CG 4.24Å
355	G	98.4	Very high	98.3	Very high	14 Å²	14	38.3 Å²	38.3	14%	0.144	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.4	-174.8	-177.4	0	0	0	0	0	115.2	T353 M528 I529	T353-G355 PolarHBondContact O-N 2.92Å; G355-M528 WeakPolarHBondContact O-CA 3.3Å; G355-I529 PolarHBondContact N-O 2.86Å; G355-I529 PolarHBondContact O-N 3.19Å
356	R	98.5	Very high	98.3	Very high	118 Å²	118	38.2 Å²	38.2	45%	0.445	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	72.3	-173.2	-90	-169.3	168.5	101.7	5.4	110.9	E521 Q526 L527 M528	R356-E521 IonicContact CZ-OE1 2.7Å; R356-E521 IonicContact CZ-OE2 3.44Å; R356-E521 IonicContact NE-OE1 3.75Å; R356-E521 PolarHBondContact NE-OE1 3.1Å; R356-E521 IonicContact NE-OE2 3.27Å; R356-E521 PolarHBondContact NE-OE2 3.4Å; R356-E521 IonicContact NH2-OE1 2.77Å; R356-E521 PolarHBondContact NH2-OE1 3.19Å; R356-E521 IonicContact NH2-OE2 3.63Å; R356-E521 PolarHBondContact NH2-OE2 2.95Å; R356-Q526 HydrophobicContact CB-CG 4.24Å; R356-Q526 HydrophobicContact CG-CG 4.47Å; R356-Q526 PolarHBondContact O-NE2 3.11Å; R356-L527 CarbonylContact C-O 3.53Å; R356-L527 WeakPolarHBondContact CA-O 3.41Å; R356-M528 HydrophobicContact CG-CB 4.02Å; R356-M528 HydrophobicContact CG-CG 3.77Å
357	F	98.4	Very high	98.3	Very high	25 Å²	25	36 Å²	36	11%	0.11	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	144.2	-167.1	-49.4	-73.6	0	0	0	112.3	T353 Q361 K362 W365 Q526 L527 I529	T353-F357 WeakPolarHBondContact O-CE2 3.37Å; F357-Q361 HydrophobicContact CB-CB 4.07Å; F357-Q361 HydrophobicContact CD1-CB 4.44Å; F357-K362 HydrophobicContact CB-CG 4.41Å; F357-K362 WeakPolarHBondContact O-CG 3.39Å; F357-W365 AromaticContact CD1-CD1 3.67Å; F357-W365 AromaticContact CD1-NE1 3.83Å; F357-W365 AromaticContact CD2-CD1 3.71Å; F357-W365 AromaticContact CE1-CD1 3.41Å; F357-W365 VanDerWaalsContact CE1-CD1 3.41Å; F357-W365 AromaticContact CE1-NE1 3.32Å; F357-W365 VanDerWaalsContact CE1-NE1 3.32Å; F357-W365 AromaticContact CE2-CD1 3.44Å; F357-W365 VanDerWaalsContact CE2-CD1 3.44Å; F357-W365 HydrophobicContact CE2-CG 4.23Å; F357-W365 AromaticContact CG-CD1 3.81Å; F357-W365 AromaticContact CZ-CD1 3.28Å; F357-W365 HydrophobicContact CZ-CG 4.26Å; F357-W365 AromaticContact CZ-NE1 3.5Å; F357-Q526 CarbonylContact O-C 3.6Å; F357-Q526 VanDerWaalsContact O-CA 3.3Å; F357-Q526 WeakPolarHBondContact O-CA 3.41Å; F357-L527 PolarHBondContact N-O 2.97Å; F357-L527 PolarHBondContact O-N 3.45Å; F357-I529 HydrophobicContact CD2-CD1 4.33Å; F357-I529 HydrophobicContact CE2-CB 4.27Å; F357-I529 HydrophobicContact CE2-CD1 4.05Å; F357-I529 HydrophobicContact CE2-CG1 4.41Å
358	Q	98	Very high	98.3	Very high	101 Å²	101	36.9 Å²	36.9	47%	0.472	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	158.9	-176.1	-70	177.3	93.7	0	0	110.9	S360 Q361 Q526	Q358-S360 PolarHBondContact O-N 3.38Å; Q358-Q361 WeakPolarHBondContact O-CB 3.36Å; Q358-Q361 PolarHBondContact O-N 3.14Å; Q358-Q361 VanDerWaalsContact O-N 3.14Å; Q358-Q526 VanDerWaalsContact CD-NE2 3.35Å; Q358-Q526 HydrophobicContact CG-CB 4.03Å; Q358-Q526 HydrophobicContact CG-CG 4.13Å
359	G	97	Very high	98.3	Very high	56 Å²	56	37.1 Å²	37.1	58%	0.577	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	56.9	-134.5	-176.9	0	0	0	0	0	111.6	Q361 K362	G359-Q361 VanDerWaalsContact C-N 3.28Å; G359-Q361 PolarHBondContact O-N 3.18Å; G359-K362 PolarHBondContact O-N 2.94Å
360	S	96.2	Very high	98.3	Very high	95 Å²	95	37 Å²	37	66%	0.664	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	-64.6	-25.3	176.8	49.8	0	0	0	0	114.1	Q358 K362 D363	Q358-S360 PolarHBondContact O-N 3.38Å; S360-K362 PolarHBondContact O-N 2.8Å; S360-K362 VanDerWaalsContact O-N 3.11Å; S360-D363 PolarHBondContact O-N 2.84Å
361	Q	97.6	Very high	98.3	Very high	108 Å²	108	39.8 Å²	39.8	51%	0.505	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-64.4	-18.5	-179.2	-61.2	-178.7	-10.1	0	0	113.2	F357 Q358 G359 D363 N364	F357-Q361 HydrophobicContact CB-CB 4.07Å; F357-Q361 HydrophobicContact CD1-CB 4.44Å; Q358-Q361 WeakPolarHBondContact O-CB 3.36Å; Q358-Q361 PolarHBondContact O-N 3.14Å; Q358-Q361 VanDerWaalsContact O-N 3.14Å; G359-Q361 VanDerWaalsContact C-N 3.28Å; G359-Q361 PolarHBondContact O-N 3.18Å; Q361-D363 PolarHBondContact O-N 2.98Å; Q361-N364 WeakPolarHBondContact O-CB 3.46Å; Q361-N364 PolarHBondContact O-N 3.45Å
362	K	97.8	Very high	98.3	Very high	33 Å²	33	43.5 Å²	43.5	14%	0.143	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-58.3	-37.1	172.8	-67.7	-165.9	-68.7	169.8	0	111.3	F357 G359 S360 N364 F368 L520 G524 L527	F357-K362 HydrophobicContact CB-CG 4.41Å; F357-K362 WeakPolarHBondContact O-CG 3.39Å; G359-K362 PolarHBondContact O-N 2.94Å; S360-K362 PolarHBondContact O-N 2.8Å; S360-K362 VanDerWaalsContact O-N 3.11Å; K362-N364 PolarHBondContact O-N 3.14Å; K362-F368 HydrophobicContact CB-CD1 4.04Å; K362-F368 HydrophobicContact CB-CE1 4.46Å; K362-F368 HydrophobicContact CB-CG 4.22Å; K362-F368 HydrophobicContact CD-CE1 4.43Å; K362-F368 HydrophobicContact CD-CZ 4.45Å; K362-F368 WeakPolarHBondContact O-CB 3.16Å; K362-L520 HydrophobicContact CD-CD2 4.34Å; K362-G524 PolarHBondContact NZ-O 3.41Å; K362-L527 HydrophobicContact CB-CB 4.29Å; K362-L527 HydrophobicContact CD-CB 3.98Å; K362-L527 HydrophobicContact CG-CB 3.85Å
363	D	98.3	Very high	98.2	Very high	58 Å²	58	43.6 Å²	43.6	31%	0.31	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-78.1	-1.5	-175.6	-58.4	-14.6	0	0	0	113.4	S360 Q361 F368 R369 K372	S360-D363 PolarHBondContact O-N 2.84Å; Q361-D363 PolarHBondContact O-N 2.98Å; D363-F368 WeakPolarHBondContact OD1-CD1 3.34Å; D363-R369 VanDerWaalsContact O-CA 3.31Å; D363-R369 WeakPolarHBondContact O-CA 3.3Å; D363-R369 WeakPolarHBondContact O-CD 3.31Å; D363-K372 HydrophobicContact CB-CB 4.09Å; D363-K372 HydrophobicContact CB-CD 3.65Å; D363-K372 HydrophobicContact CB-CG 4.44Å
364	N	98.5	Very high	98.2	Very high	69 Å²	69	43.4 Å²	43.4	37%	0.369	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-78.1	-30.7	176.6	-66.1	7	0	0	0	112.3	Q361 K362	Q361-N364 WeakPolarHBondContact O-CB 3.46Å; Q361-N364 PolarHBondContact O-N 3.45Å; K362-N364 PolarHBondContact O-N 3.14Å
365	W	98.8	Very high	98.1	Very high	21 Å²	21	46.9 Å²	46.9	8%	0.08	24%	0.239	C	C	.	.	S	Bend	trans	-132.7	159	-166.8	-50.1	120	0	0	0	114.7	Y321 A324 G351 T353 F357 R369 I529	Y321-W365 HydrophobicContact CD2-CH2 4.39Å; Y321-W365 AromaticContact CD2-CZ3 3.84Å; Y321-W365 HydrophobicContact CD2-CZ3 3.84Å; A324-W365 HydrophobicContact CB-CZ2 4.3Å; G351-W365 WeakPolarHBondContact O-CA 3.39Å; T353-W365 HydrophobicContact CG2-CD2 4.25Å; T353-W365 HydrophobicContact CG2-CE3 4.13Å; T353-W365 HydrophobicContact CG2-CH2 4.02Å; T353-W365 HydrophobicContact CG2-CZ2 4.09Å; T353-W365 HydrophobicContact CG2-CZ3 4.04Å; T353-W365 VanDerWaalsContact OG1-CE2 3.27Å; T353-W365 PolarHBondContact OG1-NE1 2.84Å; F357-W365 AromaticContact CD1-CD1 3.67Å; F357-W365 AromaticContact CD1-NE1 3.83Å; F357-W365 AromaticContact CD2-CD1 3.71Å; F357-W365 AromaticContact CE1-CD1 3.41Å; F357-W365 VanDerWaalsContact CE1-CD1 3.41Å; F357-W365 AromaticContact CE1-NE1 3.32Å; F357-W365 VanDerWaalsContact CE1-NE1 3.32Å; F357-W365 AromaticContact CE2-CD1 3.44Å; F357-W365 VanDerWaalsContact CE2-CD1 3.44Å; F357-W365 HydrophobicContact CE2-CG 4.23Å; F357-W365 AromaticContact CG-CD1 3.81Å; F357-W365 AromaticContact CZ-CD1 3.28Å; F357-W365 HydrophobicContact CZ-CG 4.26Å; F357-W365 AromaticContact CZ-NE1 3.5Å; W365-R369 VanDerWaalsContact C-CB 3.47Å; W365-R369 PolarHBondContact O-N 3.32Å; W365-I529 HydrophobicContact CB-CD1 3.49Å; W365-I529 VanDerWaalsContact CB-CD1 3.49Å
366	G	98.8	Very high	98	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	56.4	-140.7	167.7	0	0	0	0	0	114.8	G351 S352 F368 R369 L370 W517	G351-G366 PolarHBondContact O-N 2.73Å; S352-G366 WeakPolarHBondContact OG-CA 3.37Å; G366-F368 VanDerWaalsContact C-N 3.28Å; G366-F368 PolarHBondContact O-N 2.91Å; G366-R369 WeakPolarHBondContact O-CB 3.34Å; G366-R369 PolarHBondContact O-N 2.85Å; G366-L370 PolarHBondContact O-N 2.84Å; G366-W517 WeakPolarHBondContact CA-O 3.44Å
367	H	98.8	Very high	97.9	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-71.5	-24	-173.3	77.2	95.7	0	0	0	112.8	R371 E410 S414 W517 G518	H367-R371 PolarHBondContact CE1-NH2 3Å; H367-R371 WeakPolarHBondContact O-CB 3.28Å; H367-R371 PolarHBondContact O-N 2.92Å; H367-R371 VanDerWaalsContact O-N 3.12Å; H367-E410 PolarHBondContact ND1-O 2.77Å; H367-E410 IonicContact NE2-OE2 2.68Å; H367-S414 PolarHBondContact ND1-OG 2.8Å; H367-S414 WeakPolarHBondContact O-CB 3.5Å; H367-W517 HydrophobicContact CB-CE3 3.81Å; H367-W517 HydrophobicContact CB-CZ3 4.43Å; H367-W517 PolarHBondContact CD2-O 3.44Å; H367-W517 VanDerWaalsContact CD2-O 3.28Å; H367-W517 PolarHBondContact N-O 2.83Å; H367-G518 PolarHBondContact CD2-O 3.11Å
368	F	98.6	Very high	97.7	Very high	18 Å²	18	45.9 Å²	45.9	8%	0.079	24%	0.24	C	C	.	.	H	α-helix	trans	-70.8	-40.8	171.6	-88.7	-98.5	0	0	0	112.1	K362 D363 G366 L370 R371 K372 L520 L527	K362-F368 HydrophobicContact CB-CD1 4.04Å; K362-F368 HydrophobicContact CB-CE1 4.46Å; K362-F368 HydrophobicContact CB-CG 4.22Å; K362-F368 HydrophobicContact CD-CE1 4.43Å; K362-F368 HydrophobicContact CD-CZ 4.45Å; K362-F368 WeakPolarHBondContact O-CB 3.16Å; D363-F368 WeakPolarHBondContact OD1-CD1 3.34Å; G366-F368 VanDerWaalsContact C-N 3.28Å; G366-F368 PolarHBondContact O-N 2.91Å; F368-L370 PolarHBondContact O-N 3.45Å; F368-R371 VanDerWaalsContact CD2-NH2 3.28Å; F368-R371 VanDerWaalsContact CE1-NH2 3.29Å; F368-R371 PolarHBondContact O-N 3.21Å; F368-K372 PolarHBondContact O-N 2.8Å; F368-L520 HydrophobicContact CE2-CD1 4.11Å; F368-L520 HydrophobicContact CE2-CD2 3.62Å; F368-L520 HydrophobicContact CE2-CG 3.93Å; F368-L520 HydrophobicContact CZ-CD1 4.01Å; F368-L520 HydrophobicContact CZ-CD2 3.71Å; F368-L520 HydrophobicContact CZ-CG 4.2Å; F368-L527 HydrophobicContact CB-CD2 4Å; F368-L527 HydrophobicContact CD2-CD1 3.79Å; F368-L527 HydrophobicContact CD2-CD2 3.68Å; F368-L527 HydrophobicContact CD2-CG 4.22Å; F368-L527 HydrophobicContact CE2-CD1 3.99Å; F368-L527 HydrophobicContact CG-CD2 4.13Å
369	R	98.8	Very high	96.9	Very high	18 Å²	18	43.3 Å²	43.3	7%	0.068	23%	0.233	C	C	.	.	H	α-helix	trans	-57.5	-47	172.3	174	61.5	-174	-158.6	2.1	112.4	D317 L349 I350 D363 W365 G366 R371 K372 L373	D317-R369 VanDerWaalsContact CG-NH1 3.28Å; D317-R369 IonicContact OD1-CZ 3.41Å; D317-R369 IonicContact OD1-NH1 3.79Å; D317-R369 PolarHBondContact OD1-NH1 2.98Å; D317-R369 IonicContact OD1-NH2 2.63Å; D317-R369 IonicContact OD2-CZ 3.46Å; D317-R369 IonicContact OD2-NH1 2.62Å; D317-R369 PolarHBondContact OD2-NH1 3.05Å; D317-R369 IonicContact OD2-NH2 2.65Å; D317-R369 PolarHBondContact OD2-NH2 2.74Å; L349-R369 PolarHBondContact O-NE 3.49Å; L349-R369 PolarHBondContact O-NH2 2.72Å; I350-R369 HydrophobicContact CB-CG 4.48Å; I350-R369 HydrophobicContact CG1-CG 4.3Å; I350-R369 HydrophobicContact CG2-CG 4.18Å; D363-R369 VanDerWaalsContact O-CA 3.31Å; D363-R369 WeakPolarHBondContact O-CA 3.3Å; D363-R369 WeakPolarHBondContact O-CD 3.31Å; W365-R369 VanDerWaalsContact C-CB 3.47Å; W365-R369 PolarHBondContact O-N 3.32Å; G366-R369 WeakPolarHBondContact O-CB 3.34Å; G366-R369 PolarHBondContact O-N 2.85Å; R369-R371 PolarHBondContact O-N 3.36Å; R369-K372 PolarHBondContact O-N 2.82Å; R369-L373 HydrophobicContact CG-CD1 4.44Å; R369-L373 WeakPolarHBondContact O-CG 3.1Å; R369-L373 PolarHBondContact O-N 3.22Å
370	L	98.8	Very high	96.1	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-56.7	-52	174.3	177.4	60.8	0	0	0	110.9	I350 G366 F368 K372 L373 L374 M415 W504 W517 L537	I350-L370 HydrophobicContact CD1-CB 3.98Å; I350-L370 HydrophobicContact CD1-CD1 3.58Å; I350-L370 HydrophobicContact CD1-CG 4.34Å; G366-L370 PolarHBondContact O-N 2.84Å; F368-L370 PolarHBondContact O-N 3.45Å; L370-K372 VanDerWaalsContact C-N 3.33Å; L370-K372 PolarHBondContact O-N 3.41Å; L370-L373 PolarHBondContact O-N 3.16Å; L370-L373 VanDerWaalsContact O-N 3.15Å; L370-L374 HydrophobicContact CD1-CD1 3.9Å; L370-L374 HydrophobicContact CD1-CD2 4.31Å; L370-L374 HydrophobicContact CD1-CG 3.89Å; L370-L374 HydrophobicContact CD2-CD1 4.45Å; L370-L374 HydrophobicContact CG-CD1 3.85Å; L370-L374 HydrophobicContact CG-CG 4.21Å; L370-L374 WeakPolarHBondContact O-CG 3.45Å; L370-L374 PolarHBondContact O-N 2.76Å; L370-M415 HydrophobicContact CD2-CE 3.49Å; L370-M415 VanDerWaalsContact CD2-CE 3.49Å; L370-M415 HydrophobicContact CD2-CG 4.39Å; L370-M415 HydrophobicContact CD2-SD 3.34Å; L370-M415 WeakPolarHBondContact CD2-SD 3.46Å; L370-W504 HydrophobicContact CD2-CH2 4.42Å; L370-W517 HydrophobicContact CB-CZ3 4.39Å; L370-W517 HydrophobicContact CD2-CH2 4.26Å; L370-W517 HydrophobicContact CD2-CZ3 4.33Å; L370-L537 HydrophobicContact CD1-CD1 3.79Å; L370-L537 HydrophobicContact CD1-CD2 4.02Å
371	R	98.1	Very high	95.5	Very high	63 Å²	63	40.5 Å²	40.5	24%	0.238	20%	0.202	C	C	.	.	H	α-helix	trans	-58	-39.7	178.7	167.5	164.3	44.5	-177.9	-9.4	113.2	H367 F368 R369 K375 S414 T417	H367-R371 PolarHBondContact CE1-NH2 3Å; H367-R371 WeakPolarHBondContact O-CB 3.28Å; H367-R371 PolarHBondContact O-N 2.92Å; H367-R371 VanDerWaalsContact O-N 3.12Å; F368-R371 VanDerWaalsContact CD2-NH2 3.28Å; F368-R371 VanDerWaalsContact CE1-NH2 3.29Å; F368-R371 PolarHBondContact O-N 3.21Å; R369-R371 PolarHBondContact O-N 3.36Å; R371-K375 VanDerWaalsContact O-CB 3.23Å; R371-K375 WeakPolarHBondContact O-CB 3.34Å; R371-K375 PolarHBondContact O-N 3.19Å; R371-S414 PolarHBondContact NE-OG 3.42Å; R371-S414 PolarHBondContact NH2-OG 3.15Å; R371-S414 VanDerWaalsContact NH2-OG 3.13Å; R371-T417 HydrophobicContact CG-CG2 4.26Å
372	K	98.1	Very high	94.8	Very high	81 Å²	81	40.7 Å²	40.7	35%	0.352	21%	0.213	S	C	.	.	H	α-helix	trans	-61.4	-49.3	174.2	173.9	172.3	165	57.7	0	111.1	D363 F368 R369 L370 L374 K375 D376	D363-K372 HydrophobicContact CB-CB 4.09Å; D363-K372 HydrophobicContact CB-CD 3.65Å; D363-K372 HydrophobicContact CB-CG 4.44Å; F368-K372 PolarHBondContact O-N 2.8Å; R369-K372 PolarHBondContact O-N 2.82Å; L370-K372 VanDerWaalsContact C-N 3.33Å; L370-K372 PolarHBondContact O-N 3.41Å; K372-L374 PolarHBondContact O-N 3.14Å; K372-K375 PolarHBondContact O-N 3.33Å; K372-D376 WeakPolarHBondContact CG-OD2 3.29Å; K372-D376 IonicContact NZ-OD2 2.75Å; K372-D376 PolarHBondContact NZ-OD2 3.2Å; K372-D376 WeakPolarHBondContact O-CB 3.35Å; K372-D376 PolarHBondContact O-N 2.87Å
373	L	98.5	Very high	94.2	Very high	6 Å²	6	45 Å²	45	3%	0.031	24%	0.238	C	C	.	.	H	α-helix	trans	-61	-44.6	178.7	-68.5	174.7	0	0	0	112.1	Y348 I350 R369 L370 K375 D376 H377 L537	Y348-L373 HydrophobicContact CD1-CD2 3.47Å; Y348-L373 VanDerWaalsContact CD1-CD2 3.47Å; Y348-L373 HydrophobicContact CE1-CD2 4.05Å; Y348-L373 HydrophobicContact CG-CD1 4.33Å; Y348-L373 HydrophobicContact CG-CD2 3.99Å; I350-L373 HydrophobicContact CD1-CD1 4.02Å; I350-L373 HydrophobicContact CG1-CD1 3.74Å; R369-L373 HydrophobicContact CG-CD1 4.44Å; R369-L373 WeakPolarHBondContact O-CG 3.1Å; R369-L373 PolarHBondContact O-N 3.22Å; L370-L373 PolarHBondContact O-N 3.16Å; L370-L373 VanDerWaalsContact O-N 3.15Å; L373-K375 VanDerWaalsContact C-N 3.32Å; L373-K375 PolarHBondContact O-N 3.17Å; L373-D376 PolarHBondContact O-N 3.07Å; L373-H377 WeakPolarHBondContact O-CB 3.29Å; L373-H377 PolarHBondContact O-N 3.3Å; L373-L537 HydrophobicContact CB-CD2 3.93Å; L373-L537 HydrophobicContact CD1-CD2 3.94Å
374	L	97.7	Very high	93.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-64.5	-35.5	176.5	-65.7	-178.9	0	0	0	112.6	L370 K372 A378 T417 G419 W504 L537 L539	L370-L374 HydrophobicContact CD1-CD1 3.9Å; L370-L374 HydrophobicContact CD1-CD2 4.31Å; L370-L374 HydrophobicContact CD1-CG 3.89Å; L370-L374 HydrophobicContact CD2-CD1 4.45Å; L370-L374 HydrophobicContact CG-CD1 3.85Å; L370-L374 HydrophobicContact CG-CG 4.21Å; L370-L374 WeakPolarHBondContact O-CG 3.45Å; L370-L374 PolarHBondContact O-N 2.76Å; K372-L374 PolarHBondContact O-N 3.14Å; L374-A378 HydrophobicContact CD2-CB 4.19Å; L374-A378 VanDerWaalsContact O-CB 3.28Å; L374-A378 WeakPolarHBondContact O-CB 3.34Å; L374-A378 PolarHBondContact O-N 3.04Å; L374-T417 HydrophobicContact CB-CG2 4.06Å; L374-T417 WeakPolarHBondContact CB-O 3.5Å; L374-T417 WeakPolarHBondContact CD1-O 3.35Å; L374-G419 PolarHBondContact O-N 3.41Å; L374-W504 HydrophobicContact CD1-CZ2 4.21Å; L374-W504 HydrophobicContact CD2-CB 4.32Å; L374-W504 HydrophobicContact CD2-CD2 4.06Å; L374-W504 HydrophobicContact CD2-CG 3.7Å; L374-L537 HydrophobicContact CD2-CD2 4.45Å; L374-L539 HydrophobicContact CD2-CD2 3.97Å
375	K	96.1	Very high	93.2	Very high	100 Å²	100	43.6 Å²	43.6	44%	0.435	23%	0.228	S	C	.	.	H	α-helix	trans	-68.6	-43.7	175.4	178.8	-179.8	177.1	-178.5	0	112.4	R371 K372 L373 T417 G419 K420	R371-K375 VanDerWaalsContact O-CB 3.23Å; R371-K375 WeakPolarHBondContact O-CB 3.34Å; R371-K375 PolarHBondContact O-N 3.19Å; K372-K375 PolarHBondContact O-N 3.33Å; L373-K375 VanDerWaalsContact C-N 3.32Å; L373-K375 PolarHBondContact O-N 3.17Å; K375-T417 HydrophobicContact CB-CG2 3.91Å; K375-G419 WeakPolarHBondContact CA-O 3.25Å; K375-G419 CarbonylContact O-C 3.59Å; K375-G419 WeakPolarHBondContact O-CA 3.48Å; K375-K420 HydrophobicContact CG-CG 4.2Å; K375-K420 WeakPolarHBondContact O-CG 3.48Å
376	D	96.4	Very high	92.9	Very high	52 Å²	52	45 Å²	45	28%	0.278	24%	0.242	S	C	.	.	H	α-helix	trans	-88.9	-26.4	-170.2	-72.9	-32	0	0	0	113.8	K372 L373 K420	K372-D376 WeakPolarHBondContact CG-OD2 3.29Å; K372-D376 IonicContact NZ-OD2 2.75Å; K372-D376 PolarHBondContact NZ-OD2 3.2Å; K372-D376 WeakPolarHBondContact O-CB 3.35Å; K372-D376 PolarHBondContact O-N 2.87Å; L373-D376 PolarHBondContact O-N 3.07Å; D376-K420 WeakPolarHBondContact OD1-CE 3.43Å; D376-K420 IonicContact OD1-NZ 3.6Å
377	H	96.5	Very high	92.8	Very high	74 Å²	74	46.2 Å²	46.2	34%	0.343	25%	0.246	S	C	.	.	H	α-helix	trans	-130.2	-11.9	-169.2	-56.3	-67.2	0	0	0	116	Y348 L373 L539 S541	Y348-H377 AromaticContact CE1-CD2 3.6Å; Y348-H377 AromaticContact CE1-NE2 3.75Å; Y348-H377 HydrophobicContact CE2-CB 4.49Å; Y348-H377 AromaticContact CZ-CD2 3.82Å; Y348-H377 AromaticContact CZ-CG 3.75Å; Y348-H377 VanDerWaalsContact OH-CG 3.31Å; Y348-H377 PolarHBondContact OH-ND1 3.36Å; L373-H377 WeakPolarHBondContact O-CB 3.29Å; L373-H377 PolarHBondContact O-N 3.3Å; H377-L539 HydrophobicContact CB-CD1 3.51Å; H377-S541 WeakPolarHBondContact O-CB 3.43Å; H377-S541 PolarHBondContact O-OG 3.25Å
378	A	93.4	Very high	92.7	Very high	11 Å²	11	46.3 Å²	46.3	9%	0.091	25%	0.247	C	C	.	.	S	Bend	trans	-90.2	139.5	174.1	0	0	0	0	0	111.5	L374 L418 G419 L539	L374-A378 HydrophobicContact CD2-CB 4.19Å; L374-A378 VanDerWaalsContact O-CB 3.28Å; L374-A378 WeakPolarHBondContact O-CB 3.34Å; L374-A378 PolarHBondContact O-N 3.04Å; A378-L418 HydrophobicContact CB-CD2 3.89Å; A378-G419 WeakPolarHBondContact O-CA 3.45Å; A378-G419 PolarHBondContact O-N 3.33Å; A378-L539 HydrophobicContact CB-CD2 4.14Å
379	S	82.4	Confident	92.7	Very high	46 Å²	46	45.5 Å²	45.5	32%	0.322	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-64.4	145.9	175.9	-58	0	0	0	0	111.7
380	S	80.6	Confident	92.7	Very high	71 Å²	71	44.6 Å²	44.6	50%	0.497	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-69.5	142	165.3	-171.3	0	0	0	0	109.4
381	I	82.8	Confident	92.7	Very high	22 Å²	22	44.7 Å²	44.7	11%	0.113	24%	0.24	C	C	.	.			trans	-124.8	127.6	-173.2	-62.9	-178	0	0	0	109.7	N383 A384 W387 L418 A503	I381-N383 PolarHBondContact O-N 3.32Å; I381-A384 HydrophobicContact CB-CB 4.46Å; I381-A384 WeakPolarHBondContact O-CB 3.46Å; I381-A384 PolarHBondContact O-N 2.94Å; I381-A384 VanDerWaalsContact O-N 3.16Å; I381-W387 HydrophobicContact CD1-CD2 4.5Å; I381-W387 HydrophobicContact CD1-CE3 4.19Å; I381-W387 HydrophobicContact CD1-CH2 4.17Å; I381-W387 HydrophobicContact CD1-CZ2 4.46Å; I381-W387 HydrophobicContact CD1-CZ3 4.03Å; I381-W387 HydrophobicContact CG2-CD2 4.05Å; I381-W387 VanDerWaalsContact CG2-CE2 3.44Å; I381-W387 HydrophobicContact CG2-CH2 4.31Å; I381-W387 HydrophobicContact CG2-CZ2 3.61Å; I381-L418 HydrophobicContact CB-CD1 4.24Å; I381-L418 HydrophobicContact CD1-CD1 3.99Å; I381-L418 HydrophobicContact CG1-CD1 4.18Å; I381-A503 HydrophobicContact CD1-CB 3.42Å; I381-A503 VanDerWaalsContact CD1-CB 3.42Å
382	P	82.9	Confident	92.8	Very high	111 Å²	111	41.7 Å²	41.7	72%	0.721	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.5	133.9	173.6	-25.9	35.1	0	0	0	111.9	A384	P382-A384 VanDerWaalsContact C-N 3.28Å; P382-A384 PolarHBondContact O-N 2.85Å
383	N	84.9	Confident	92.8	Very high	124 Å²	124	37.8 Å²	37.8	66%	0.663	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.5	36.2	-176.2	-54.2	-23.7	0	0	0	113.8	I381 E385 S386	I381-N383 PolarHBondContact O-N 3.32Å; N383-E385 PolarHBondContact O-N 2.96Å; N383-S386 PolarHBondContact O-N 2.87Å; N383-S386 PolarHBondContact O-OG 2.88Å
384	A	87.4	Confident	92.8	Very high	8 Å²	8	37.6 Å²	37.6	7%	0.066	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-19	177	0	0	0	0	0	114.8	I381 P382 S386 W387 L418 R494	I381-A384 HydrophobicContact CB-CB 4.46Å; I381-A384 WeakPolarHBondContact O-CB 3.46Å; I381-A384 PolarHBondContact O-N 2.94Å; I381-A384 VanDerWaalsContact O-N 3.16Å; P382-A384 VanDerWaalsContact C-N 3.28Å; P382-A384 PolarHBondContact O-N 2.85Å; A384-S386 VanDerWaalsContact C-N 3.27Å; A384-S386 PolarHBondContact O-N 2.81Å; A384-W387 PolarHBondContact O-N 2.97Å; A384-L418 HydrophobicContact CB-CD1 4.05Å; A384-R494 PolarHBondContact O-NH2 3.01Å
385	E	88.9	Confident	92.9	Very high	89 Å²	89	38.7 Å²	38.7	42%	0.416	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-34.8	168.9	-73.7	71.9	-168.6	0	0	113.3	N383 K423 V430	N383-E385 PolarHBondContact O-N 2.96Å; E385-K423 IonicContact OE1-NZ 3.48Å; E385-K423 PolarHBondContact OE1-NZ 3.05Å; E385-K423 IonicContact OE2-NZ 3.33Å; E385-K423 PolarHBondContact OE2-NZ 3.28Å; E385-V430 WeakPolarHBondContact O-CA 3.44Å; E385-V430 WeakPolarHBondContact O-CG2 3.5Å
386	S	92.3	Very high	93	Very high	52 Å²	52	34.1 Å²	34.1	36%	0.364	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-11.2	179.9	64.3	0	0	0	0	113.7	N383 A384 P388 P497	N383-S386 PolarHBondContact O-N 2.87Å; N383-S386 PolarHBondContact O-OG 2.88Å; A384-S386 VanDerWaalsContact C-N 3.27Å; A384-S386 PolarHBondContact O-N 2.81Å; S386-P388 WeakPolarHBondContact O-CD 3.44Å; S386-P497 VanDerWaalsContact OG-CG 3.26Å; S386-P497 WeakPolarHBondContact OG-CG 3.4Å
387	W	96.3	Very high	93.1	Very high	25 Å²	25	32.6 Å²	32.6	10%	0.095	20%	0.195	C	C	.	.	S	Bend	trans	-77.9	109.5	177	-74.9	58.8	0	0	0	109.5	I381 A384 V430 R494 P495 K501 A503	I381-W387 HydrophobicContact CD1-CD2 4.5Å; I381-W387 HydrophobicContact CD1-CE3 4.19Å; I381-W387 HydrophobicContact CD1-CH2 4.17Å; I381-W387 HydrophobicContact CD1-CZ2 4.46Å; I381-W387 HydrophobicContact CD1-CZ3 4.03Å; I381-W387 HydrophobicContact CG2-CD2 4.05Å; I381-W387 VanDerWaalsContact CG2-CE2 3.44Å; I381-W387 HydrophobicContact CG2-CH2 4.31Å; I381-W387 HydrophobicContact CG2-CZ2 3.61Å; A384-W387 PolarHBondContact O-N 2.97Å; W387-V430 WeakPolarHBondContact O-CG1 3.07Å; W387-R494 HydrophobicContact CB-CG 4.5Å; W387-R494 VanDerWaalsContact O-CZ 3.25Å; W387-R494 PolarHBondContact O-NE 2.98Å; W387-R494 PolarHBondContact O-NH2 3.48Å; W387-P495 WeakPolarHBondContact CA-O 3.36Å; W387-P495 WeakPolarHBondContact CB-O 3.43Å; W387-P495 VanDerWaalsContact CE3-C 3.41Å; W387-K501 HydrophobicContact CH2-CB 4.23Å; W387-A503 HydrophobicContact CE3-CB 4.08Å; W387-A503 HydrophobicContact CZ3-CB 3.93Å
388	P	97.9	Very high	93.2	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.013	19%	0.194	C	C	.	.			trans	-64.6	164	-178	27.1	-37.6	0	0	0	113.4	S386 P431 Y433 R494 P495 F499	S386-P388 WeakPolarHBondContact O-CD 3.44Å; P388-P431 WeakPolarHBondContact CA-O 3.5Å; P388-P431 HydrophobicContact CB-CB 4.1Å; P388-P431 HydrophobicContact CB-CG 4.49Å; P388-Y433 HydrophobicContact CB-CD2 3.69Å; P388-Y433 HydrophobicContact CB-CE2 3.32Å; P388-Y433 HydrophobicContact CG-CD2 4.31Å; P388-Y433 HydrophobicContact CG-CE2 3.83Å; P388-R494 WeakPolarHBondContact O-CA 3.2Å; P388-R494 WeakPolarHBondContact O-CD 3.26Å; P388-R494 PolarHBondContact O-NE 3.39Å; P388-P495 VanDerWaalsContact CD-O 3.28Å; P388-P495 WeakPolarHBondContact CD-O 3.36Å; P388-P495 HydrophobicContact CG-CB 4.1Å; P388-P495 HydrophobicContact CG-CG 4.3Å; P388-P495 WeakPolarHBondContact O-CD 3.35Å; P388-F499 HydrophobicContact CG-CE1 4.11Å; P388-F499 HydrophobicContact CG-CZ 4.15Å
389	V	98.6	Very high	93.4	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	130	160	175.2	0	0	0	0	108	M415 V430 P431 L432 Y433	V389-M415 HydrophobicContact CG1-CB 3.85Å; V389-M415 HydrophobicContact CG1-CG 4.3Å; V389-M415 HydrophobicContact CG2-CB 4.01Å; V389-V430 HydrophobicContact CG2-CG1 4.19Å; V389-P431 PolarHBondContact N-O 3.06Å; V389-L432 HydrophobicContact CB-CD1 3.83Å; V389-L432 HydrophobicContact CG1-CD1 3.72Å; V389-L432 WeakPolarHBondContact O-CA 3.42Å; V389-Y433 PolarHBondContact O-N 3.06Å
390	V	98.9	Very high	94.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	128.5	168.6	179.7	0	0	0	0	108.6	Y433 I435 Y492 M493 P495 F499 Y569 P573	V390-Y433 WeakPolarHBondContact CA-O 3.5Å; V390-Y433 HydrophobicContact CG2-CD2 4.09Å; V390-I435 HydrophobicContact CG1-CD1 3.77Å; V390-I435 HydrophobicContact CG1-CG1 4.27Å; V390-Y492 WeakPolarHBondContact O-CA 3.17Å; V390-M493 HydrophobicContact CB-CE 4Å; V390-M493 HydrophobicContact CB-CG 3.98Å; V390-M493 HydrophobicContact CG1-CE 3.99Å; V390-M493 HydrophobicContact CG2-CE 4.18Å; V390-M493 PolarHBondContact N-O 2.99Å; V390-M493 PolarHBondContact O-N 3.12Å; V390-P495 HydrophobicContact CB-CG 4.48Å; V390-P495 HydrophobicContact CG2-CG 3.65Å; V390-F499 HydrophobicContact CG2-CE1 4.41Å; V390-Y569 HydrophobicContact CG1-CE2 4.4Å; V390-P573 HydrophobicContact CG2-CG 4.37Å
391	G	98.9	Very high	94.9	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.01	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	131.4	169.2	0	0	0	0	0	110.6	Y433 L434 I435 Y492	G391-Y433 PolarHBondContact N-O 3.17Å; G391-L434 CarbonylContact O-C 3.52Å; G391-L434 VanDerWaalsContact O-CA 3.32Å; G391-L434 WeakPolarHBondContact O-CA 3.35Å; G391-I435 PolarHBondContact O-N 2.98Å; G391-Y492 VanDerWaalsContact CA-CD1 3.45Å
392	Q	98.9	Very high	95.6	Very high	0 Å²	0	31 Å²	31	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	135	178.9	177.8	-77.6	-51	0	0	108.5	I435 W475 I489 K490 T491 Y569	Q392-I435 WeakPolarHBondContact CA-O 3.45Å; Q392-I435 HydrophobicContact CB-CB 3.86Å; Q392-I435 HydrophobicContact CB-CD1 4.43Å; Q392-I435 HydrophobicContact CB-CG2 4.41Å; Q392-I435 HydrophobicContact CG-CB 3.87Å; Q392-I435 HydrophobicContact CG-CG2 3.86Å; Q392-W475 HydrophobicContact CG-CZ3 4.21Å; Q392-I489 PolarHBondContact NE2-O 2.69Å; Q392-I489 PolarHBondContact OE1-O 3.06Å; Q392-K490 CarbonylContact O-C 3.59Å; Q392-K490 VanDerWaalsContact O-CA 3.29Å; Q392-K490 WeakPolarHBondContact O-CA 3.34Å; Q392-T491 PolarHBondContact N-O 2.82Å; Q392-T491 PolarHBondContact O-N 2.85Å; Q392-T491 PolarHBondContact OE1-OG1 3.07Å; Q392-Y569 HydrophobicContact CB-CE1 4.23Å; Q392-Y569 HydrophobicContact CG-CE1 4.22Å
393	F	98.9	Very high	96.3	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	18%	0.175	C	C	.	.			trans	-153.9	170.8	-174.9	41.7	-92.6	0	0	0	112.1	S395 I396 L434 I435 Y436 K490 L512	F393-S395 WeakPolarHBondContact CD2-O 3.22Å; F393-I396 HydrophobicContact CD2-CG1 3.82Å; F393-I396 HydrophobicContact CE2-CD1 3.9Å; F393-I396 HydrophobicContact CE2-CG1 3.35Å; F393-I396 HydrophobicContact CZ-CG1 4.32Å; F393-L434 HydrophobicContact CE1-CB 4.15Å; F393-L434 HydrophobicContact CE1-CD2 4.11Å; F393-L434 HydrophobicContact CZ-CB 3.98Å; F393-I435 PolarHBondContact N-O 3.42Å; F393-Y436 AromaticContact CD2-CD2 3.99Å; F393-Y436 HydrophobicContact CD2-CD2 3.99Å; F393-Y436 AromaticContact CE2-CD2 3.93Å; F393-Y436 HydrophobicContact CE2-CD2 3.93Å; F393-Y436 HydrophobicContact CE2-CG 4.19Å; F393-K490 HydrophobicContact CB-CG 4.14Å; F393-L512 HydrophobicContact CD1-CB 3.7Å; F393-L512 HydrophobicContact CD1-CD2 4.48Å; F393-L512 HydrophobicContact CD2-CB 4.03Å; F393-L512 HydrophobicContact CE1-CB 3.81Å; F393-L512 HydrophobicContact CE1-CD2 3.73Å; F393-L512 HydrophobicContact CE1-CG 4.28Å; F393-L512 HydrophobicContact CE2-CB 4.14Å; F393-L512 HydrophobicContact CE2-CD2 4.23Å; F393-L512 HydrophobicContact CG-CB 3.82Å; F393-L512 HydrophobicContact CZ-CB 4.02Å; F393-L512 HydrophobicContact CZ-CD2 3.57Å; F393-L512 HydrophobicContact CZ-CG 4.42Å
394	S	98.6	Very high	96.8	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.014	17%	0.165	C	C	.	.	S	Bend	trans	-108.7	-8.3	-179.7	90.3	0	0	0	0	113.3	L455 P487 H488 K490 N511	S394-L455 CarbonylContact O-C 3.5Å; S394-L455 WeakPolarHBondContact O-CA 3.47Å; S394-P487 WeakPolarHBondContact CB-O 3.4Å; S394-H488 PolarHBondContact OG-CD2 2.86Å; S394-K490 WeakPolarHBondContact OG-CE 3.44Å; S394-K490 PolarHBondContact OG-NZ 3.31Å; S394-N511 PolarHBondContact N-OD1 2.55Å
395	S	98.6	Very high	97.3	Very high	23 Å²	23	30.3 Å²	30.3	16%	0.161	18%	0.184	C	C	.	.			trans	-151.9	158.3	178.5	173.5	0	0	0	0	110.7	F393 P456 N511 L512	F393-S395 WeakPolarHBondContact CD2-O 3.22Å; S395-P456 WeakPolarHBondContact CB-O 3.44Å; S395-P456 PolarHBondContact OG-O 2.86Å; S395-N511 PolarHBondContact N-OD1 3.23Å; S395-N511 WeakPolarHBondContact O-CB 3.41Å; S395-L512 PolarHBondContact O-N 3.19Å
396	I	98.8	Very high	97.7	Very high	4 Å²	4	26.1 Å²	26.1	2%	0.021	17%	0.165	C	C	.	.	B	Isolated β-bridge	trans	-134	127.1	-175.4	-61.7	146.1	0	0	0	108	F393 Y436 Y457 L468 F472 L512	F393-I396 HydrophobicContact CD2-CG1 3.82Å; F393-I396 HydrophobicContact CE2-CD1 3.9Å; F393-I396 HydrophobicContact CE2-CG1 3.35Å; F393-I396 HydrophobicContact CZ-CG1 4.32Å; I396-Y436 HydrophobicContact CD1-CD1 3.97Å; I396-Y436 HydrophobicContact CD1-CD2 3.92Å; I396-Y436 HydrophobicContact CD1-CE1 4.02Å; I396-Y436 HydrophobicContact CD1-CE2 3.98Å; I396-Y436 HydrophobicContact CD1-CG 3.92Å; I396-Y436 HydrophobicContact CG1-CD2 4.47Å; I396-Y457 HydrophobicContact CB-CD2 3.61Å; I396-Y457 HydrophobicContact CB-CE2 3.7Å; I396-Y457 HydrophobicContact CB-CG 4.03Å; I396-Y457 HydrophobicContact CD1-CD1 3.52Å; I396-Y457 HydrophobicContact CD1-CD2 4.16Å; I396-Y457 HydrophobicContact CD1-CE1 3.62Å; I396-Y457 HydrophobicContact CD1-CE2 4.25Å; I396-Y457 HydrophobicContact CD1-CG 3.77Å; I396-Y457 HydrophobicContact CG1-CG 4.49Å; I396-Y457 HydrophobicContact CG2-CD2 4Å; I396-Y457 HydrophobicContact CG2-CE2 3.53Å; I396-L468 HydrophobicContact CG2-CD2 3.71Å; I396-F472 HydrophobicContact CD1-CE1 4.43Å; I396-F472 HydrophobicContact CD1-CE2 3.97Å; I396-F472 HydrophobicContact CD1-CZ 3.53Å; I396-F472 HydrophobicContact CG1-CZ 4.4Å; I396-L512 WeakPolarHBondContact CA-O 3.3Å
397	G	98.3	Very high	98	Very high	19 Å²	19	23.7 Å²	23.7	20%	0.196	15%	0.148	C	C	.	.			trans	-89.2	176.2	172.6	0	0	0	0	0	113.1	L399 T461 Q465 L512	G397-L399 WeakPolarHBondContact O-CD2 3.37Å; G397-L399 WeakPolarHBondContact O-CG 3.41Å; G397-L399 PolarHBondContact O-N 3.28Å; G397-T461 VanDerWaalsContact C-CG2 3.44Å; G397-Q465 PolarHBondContact O-NE2 3.15Å; G397-Q465 PolarHBondContact O-OE1 2.89Å; G397-L512 PolarHBondContact N-O 2.79Å
398	S	98.3	Very high	98	Very high	46 Å²	46	23.5 Å²	23.5	32%	0.322	15%	0.15	S	C	.	.			trans	-66.1	118.6	167.1	175	0	0	0	0	109.3	T461 K514	S398-T461 VanDerWaalsContact N-CG2 3.35Å; S398-K514 WeakPolarHBondContact O-CE 3.45Å
399	L	98.3	Very high	97.8	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	17%	0.166	C	C	.	.			trans	-99.5	-41.2	-177.6	-52	-167.9	0	0	0	110.9	G397 W406 L407 W467 L468 L512 K514	G397-L399 WeakPolarHBondContact O-CD2 3.37Å; G397-L399 WeakPolarHBondContact O-CG 3.41Å; G397-L399 PolarHBondContact O-N 3.28Å; L399-W406 HydrophobicContact CB-CE3 4.48Å; L399-W406 HydrophobicContact CD2-CE3 3.89Å; L399-W406 HydrophobicContact CD2-CZ3 3.78Å; L399-L407 HydrophobicContact CD1-CD1 4.18Å; L399-W467 HydrophobicContact CB-CH2 4.45Å; L399-W467 HydrophobicContact CB-CZ2 4.25Å; L399-W467 HydrophobicContact CD1-CH2 4.47Å; L399-L468 HydrophobicContact CD1-CD1 3.89Å; L399-L468 HydrophobicContact CD1-CD2 3.7Å; L399-L468 HydrophobicContact CD1-CG 4.44Å; L399-L468 HydrophobicContact CG-CD2 4.38Å; L399-L512 HydrophobicContact CD1-CD2 3.95Å; L399-L512 HydrophobicContact CD1-CG 4.14Å; L399-L512 HydrophobicContact CD2-CG 4.46Å; L399-K514 WeakPolarHBondContact O-CE 3.39Å; L399-K514 PolarHBondContact O-NZ 3.07Å
400	G	97.7	Very high	97.6	Very high	16 Å²	16	27.2 Å²	27.2	17%	0.165	17%	0.172	C	C	.	.			trans	147	178.7	176.7	0	0	0	0	0	112.5	D402 W467	G400-D402 PolarHBondContact O-N 2.92Å; G400-W467 PolarHBondContact O-NE1 3.2Å
401	A	97.2	Very high	97.6	Very high	77 Å²	77	27.2 Å²	27.2	64%	0.636	17%	0.173	S	C	*	.	S	Bend	trans	-67.3	-19.6	-177.1	0	0	0	0	0	114.7	W467	A401-W467 VanDerWaalsContact C-NE1 3.3Å; A401-W467 PolarHBondContact O-NE1 2.89Å
402	D	97.9	Very high	97.5	Very high	51 Å²	51	28 Å²	28	27%	0.273	18%	0.176	S	C	.	.	S	Bend	trans	-157.3	169.8	179.4	67	80	0	0	0	112	G400 S404 K405	G400-D402 PolarHBondContact O-N 2.92Å; D402-S404 PolarHBondContact O-N 3.06Å; D402-S404 VanDerWaalsContact O-N 3.13Å; D402-S404 WeakPolarHBondContact OD1-CA 3.2Å; D402-S404 VanDerWaalsContact OD1-CB 3.25Å; D402-S404 WeakPolarHBondContact OD1-CB 3.29Å; D402-S404 PolarHBondContact OD1-N 3.39Å; D402-S404 PolarHBondContact OD1-OG 3.41Å; D402-K405 WeakPolarHBondContact O-CB 3.24Å; D402-K405 PolarHBondContact O-N 3.18Å; D402-K405 IonicContact OD1-NZ 2.96Å; D402-K405 WeakPolarHBondContact OD2-CE 3.32Å; D402-K405 WeakPolarHBondContact OD2-CG 3.25Å; D402-K405 IonicContact OD2-NZ 3.35Å; D402-K405 PolarHBondContact OD2-NZ 2.74Å
403	E	96.4	Very high	97.4	Very high	54 Å²	54	30.7 Å²	30.7	25%	0.252	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-52.9	-31.9	-178.4	58.5	167.4	-139.1	0	0	114.7	K405 C408 K427 W467 Y471	E403-K405 VanDerWaalsContact C-N 3.32Å; E403-K405 PolarHBondContact O-N 3.44Å; E403-C408 HydrophobicContact CB-CB 4.23Å; E403-C408 WeakPolarHBondContact O-CB 3.41Å; E403-C408 PolarHBondContact O-N 2.86Å; E403-K427 WeakPolarHBondContact OE1-CE 3.31Å; E403-K427 IonicContact OE1-NZ 2.66Å; E403-K427 PolarHBondContact OE1-NZ 3.36Å; E403-W467 HydrophobicContact CB-CE3 4.24Å; E403-W467 HydrophobicContact CB-CZ3 3.99Å; E403-Y471 PolarHBondContact OE2-OH 3.21Å
404	S	96.1	Very high	97.3	Very high	64 Å²	64	30.7 Å²	30.7	45%	0.448	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-81.6	-9.8	-173.6	77	0	0	0	0	113.5	D402 S409	D402-S404 PolarHBondContact O-N 3.06Å; D402-S404 VanDerWaalsContact O-N 3.13Å; D402-S404 WeakPolarHBondContact OD1-CA 3.2Å; D402-S404 VanDerWaalsContact OD1-CB 3.25Å; D402-S404 WeakPolarHBondContact OD1-CB 3.29Å; D402-S404 PolarHBondContact OD1-N 3.39Å; D402-S404 PolarHBondContact OD1-OG 3.41Å; S404-S409 VanDerWaalsContact O-CB 3.24Å; S404-S409 WeakPolarHBondContact O-CB 3.43Å; S404-S409 PolarHBondContact O-OG 2.95Å
405	K	96.8	Very high	97.2	Very high	111 Å²	111	30.6 Å²	30.6	48%	0.483	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-75.4	-22.1	-176	-64.3	-63.5	-175.4	-81.4	0	114.6	D402 E403	D402-K405 WeakPolarHBondContact O-CB 3.24Å; D402-K405 PolarHBondContact O-N 3.18Å; D402-K405 IonicContact OD1-NZ 2.96Å; D402-K405 WeakPolarHBondContact OD2-CE 3.32Å; D402-K405 WeakPolarHBondContact OD2-CG 3.25Å; D402-K405 IonicContact OD2-NZ 3.35Å; D402-K405 PolarHBondContact OD2-NZ 2.74Å; E403-K405 VanDerWaalsContact C-N 3.32Å; E403-K405 PolarHBondContact O-N 3.44Å
406	W	98.1	Very high	97	Very high	1 Å²	1	31.1 Å²	31.1	0%	0.004	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-167.9	-47	175.1	-179.8	75.9	0	0	0	112.5	L399 C408 S409 E410 F411 L512 K514 W517 G518	L399-W406 HydrophobicContact CB-CE3 4.48Å; L399-W406 HydrophobicContact CD2-CE3 3.89Å; L399-W406 HydrophobicContact CD2-CZ3 3.78Å; W406-C408 PolarHBondContact O-N 2.65Å; W406-S409 WeakPolarHBondContact CA-OG 3.32Å; W406-S409 PolarHBondContact N-OG 2.94Å; W406-S409 PolarHBondContact O-N 3.22Å; W406-E410 PolarHBondContact O-N 2.84Å; W406-F411 HydrophobicContact CD2-CB 4.14Å; W406-F411 HydrophobicContact CE3-CB 4.13Å; W406-F411 HydrophobicContact CH2-CB 3.95Å; W406-F411 AromaticContact CH2-CD2 3.41Å; W406-F411 HydrophobicContact CH2-CD2 3.41Å; W406-F411 VanDerWaalsContact CH2-CD2 3.41Å; W406-F411 HydrophobicContact CH2-CE2 4.01Å; W406-F411 AromaticContact CH2-CG 3.75Å; W406-F411 HydrophobicContact CH2-CG 3.75Å; W406-F411 HydrophobicContact CZ2-CB 3.94Å; W406-F411 AromaticContact CZ2-CD2 3.74Å; W406-F411 HydrophobicContact CZ2-CD2 3.74Å; W406-F411 HydrophobicContact CZ2-CG 4.13Å; W406-F411 HydrophobicContact CZ3-CB 4.04Å; W406-F411 HydrophobicContact CZ3-CD1 4.5Å; W406-F411 HydrophobicContact CZ3-CD2 4.09Å; W406-F411 AromaticContact CZ3-CG 3.96Å; W406-F411 HydrophobicContact CZ3-CG 3.96Å; W406-F411 PolarHBondContact O-N 2.88Å; W406-F411 VanDerWaalsContact O-N 3.1Å; W406-L512 HydrophobicContact CH2-CD1 4.36Å; W406-L512 HydrophobicContact CZ3-CD1 3.96Å; W406-K514 HydrophobicContact CB-CD 4.13Å; W406-K514 HydrophobicContact CB-CG 4.44Å; W406-K514 HydrophobicContact CD2-CD 4.29Å; W406-K514 HydrophobicContact CD2-CG 3.63Å; W406-K514 HydrophobicContact CE3-CG 4.22Å; W406-K514 HydrophobicContact CG-CD 3.86Å; W406-K514 HydrophobicContact CG-CG 3.72Å; W406-K514 HydrophobicContact CZ2-CG 4.25Å; W406-W517 HydrophobicContact CH2-CB 4.04Å; W406-W517 HydrophobicContact CZ2-CB 3.74Å; W406-G518 PolarHBondContact NE1-O 2.99Å
407	L	98.2	Very high	96.8	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	20%	0.195	C	C	.	.	I	π-helix	trans	-59.6	-54.4	-169	-177.5	74.4	0	0	0	112.1	L399 F411 K412 L432 L434 W467 L468 Y471 L512	L399-L407 HydrophobicContact CD1-CD1 4.18Å; L407-F411 HydrophobicContact CD1-CD1 3.87Å; L407-F411 HydrophobicContact CD1-CE1 4.3Å; L407-K412 WeakPolarHBondContact O-CB 3.3Å; L407-K412 PolarHBondContact O-N 3.28Å; L407-L432 HydrophobicContact CD1-CD2 4.26Å; L407-L432 HydrophobicContact CD2-CD2 3.98Å; L407-L432 HydrophobicContact CG-CD2 4.03Å; L407-L434 HydrophobicContact CD2-CD1 4.37Å; L407-W467 HydrophobicContact CB-CH2 4.07Å; L407-W467 HydrophobicContact CD2-CH2 3.91Å; L407-W467 HydrophobicContact CD2-CZ3 3.69Å; L407-L468 HydrophobicContact CD2-CD1 3.74Å; L407-Y471 HydrophobicContact CD2-CE2 4.45Å; L407-L512 HydrophobicContact CD1-CD1 3.98Å; L407-L512 HydrophobicContact CD1-CD2 4.36Å
408	C	96.4	Very high	96.5	Very high	21 Å²	21	32.2 Å²	32.2	14%	0.142	19%	0.191	C	C	.	.	I	π-helix	trans	-93.1	-3.1	-176.3	-71.9	0	0	0	0	114	E403 W406 K412	E403-C408 HydrophobicContact CB-CB 4.23Å; E403-C408 WeakPolarHBondContact O-CB 3.41Å; E403-C408 PolarHBondContact O-N 2.86Å; W406-C408 PolarHBondContact O-N 2.65Å; C408-K412 HydrophobicContact CB-CD 4.37Å
409	S	93.7	Very high	96	Very high	50 Å²	50	30.6 Å²	30.6	35%	0.35	18%	0.181	S	C	.	.	I	π-helix	trans	-112.2	-30.2	-174.4	49.4	0	0	0	0	114.4	S404 W406 E413	S404-S409 VanDerWaalsContact O-CB 3.24Å; S404-S409 WeakPolarHBondContact O-CB 3.43Å; S404-S409 PolarHBondContact O-OG 2.95Å; W406-S409 WeakPolarHBondContact CA-OG 3.32Å; W406-S409 PolarHBondContact N-OG 2.94Å; W406-S409 PolarHBondContact O-N 3.22Å; S409-E413 WeakPolarHBondContact O-CG 3.08Å
410	E	95.4	Very high	95.1	Very high	29 Å²	29	37.1 Å²	37.1	14%	0.136	21%	0.21	C	C	.	.	I	π-helix	trans	-120.4	-51.1	-179.3	-64.9	-178.3	-112.7	0	0	111.5	H367 W406 S414 L520	H367-E410 PolarHBondContact ND1-O 2.77Å; H367-E410 IonicContact NE2-OE2 2.68Å; W406-E410 PolarHBondContact O-N 2.84Å; E410-S414 WeakPolarHBondContact O-CB 3.27Å; E410-S414 PolarHBondContact O-N 3.13Å; E410-S414 PolarHBondContact O-OG 2.82Å; E410-L520 HydrophobicContact CG-CD1 4.26Å; E410-L520 VanDerWaalsContact OE2-CB 3.23Å; E410-L520 WeakPolarHBondContact OE2-CB 3.3Å; E410-L520 WeakPolarHBondContact OE2-CG 3.44Å; E410-L520 PolarHBondContact OE2-N 3.34Å
411	F	98.4	Very high	94	Very high	1 Å²	1	43.3 Å²	43.3	0%	0.004	23%	0.234	C	C	.	.	I	π-helix	trans	-73.5	-56.3	-172.9	177	-97.9	0	0	0	111.5	W406 L407 E413 S414 M415 Y492 L512 W517	W406-F411 HydrophobicContact CD2-CB 4.14Å; W406-F411 HydrophobicContact CE3-CB 4.13Å; W406-F411 HydrophobicContact CH2-CB 3.95Å; W406-F411 AromaticContact CH2-CD2 3.41Å; W406-F411 HydrophobicContact CH2-CD2 3.41Å; W406-F411 VanDerWaalsContact CH2-CD2 3.41Å; W406-F411 HydrophobicContact CH2-CE2 4.01Å; W406-F411 AromaticContact CH2-CG 3.75Å; W406-F411 HydrophobicContact CH2-CG 3.75Å; W406-F411 HydrophobicContact CZ2-CB 3.94Å; W406-F411 AromaticContact CZ2-CD2 3.74Å; W406-F411 HydrophobicContact CZ2-CD2 3.74Å; W406-F411 HydrophobicContact CZ2-CG 4.13Å; W406-F411 HydrophobicContact CZ3-CB 4.04Å; W406-F411 HydrophobicContact CZ3-CD1 4.5Å; W406-F411 HydrophobicContact CZ3-CD2 4.09Å; W406-F411 AromaticContact CZ3-CG 3.96Å; W406-F411 HydrophobicContact CZ3-CG 3.96Å; W406-F411 PolarHBondContact O-N 2.88Å; W406-F411 VanDerWaalsContact O-N 3.1Å; L407-F411 HydrophobicContact CD1-CD1 3.87Å; L407-F411 HydrophobicContact CD1-CE1 4.3Å; F411-E413 VanDerWaalsContact C-N 3.33Å; F411-E413 PolarHBondContact O-N 3.09Å; F411-S414 WeakPolarHBondContact O-CB 3.47Å; F411-S414 PolarHBondContact O-N 2.98Å; F411-S414 VanDerWaalsContact O-N 3.1Å; F411-M415 HydrophobicContact CD1-CG 4.49Å; F411-M415 HydrophobicContact CD2-CE 4.36Å; F411-M415 HydrophobicContact CE1-CE 4.37Å; F411-M415 HydrophobicContact CE1-CG 4.25Å; F411-M415 HydrophobicContact CE2-CE 3.53Å; F411-M415 HydrophobicContact CZ-CE 3.54Å; F411-M415 HydrophobicContact CZ-CG 4.33Å; F411-M415 WeakPolarHBondContact O-CG 3.35Å; F411-M415 PolarHBondContact O-N 3.46Å; F411-Y492 HydrophobicContact CZ-CD1 4.18Å; F411-Y492 AromaticContact CZ-CE1 3.68Å; F411-Y492 HydrophobicContact CZ-CE1 3.68Å; F411-L512 HydrophobicContact CD1-CD1 4.2Å; F411-L512 HydrophobicContact CE1-CD1 3.62Å; F411-L512 HydrophobicContact CE2-CD1 4.25Å; F411-L512 HydrophobicContact CZ-CD1 3.64Å; F411-W517 HydrophobicContact CD2-CB 4.35Å; F411-W517 HydrophobicContact CD2-CD2 4.44Å; F411-W517 HydrophobicContact CD2-CG 4.15Å; F411-W517 HydrophobicContact CE2-CB 4.41Å; F411-W517 AromaticContact CE2-CD1 3.73Å; F411-W517 AromaticContact CE2-CD2 3.84Å; F411-W517 HydrophobicContact CE2-CD2 3.84Å; F411-W517 AromaticContact CE2-CE2 3.89Å; F411-W517 AromaticContact CE2-CG 3.73Å; F411-W517 HydrophobicContact CE2-CG 3.73Å; F411-W517 AromaticContact CE2-NE1 3.81Å
412	K	97.4	Very high	92	Very high	18 Å²	18	45.4 Å²	45.4	8%	0.078	24%	0.244	C	C	.	.	H	α-helix	trans	-57.6	-43.9	175.4	-173.6	-168	179.8	-178.4	0	111.9	L407 C408 S414 M415 L416 S428 V430	L407-K412 WeakPolarHBondContact O-CB 3.3Å; L407-K412 PolarHBondContact O-N 3.28Å; C408-K412 HydrophobicContact CB-CD 4.37Å; K412-S414 PolarHBondContact O-N 3.32Å; K412-M415 CarbonylContact O-C 3.51Å; K412-M415 PolarHBondContact O-N 3.3Å; K412-M415 VanDerWaalsContact O-N 3.11Å; K412-L416 HydrophobicContact CG-CD2 4.45Å; K412-L416 WeakPolarHBondContact O-CG 3.41Å; K412-L416 PolarHBondContact O-N 2.72Å; K412-S428 PolarHBondContact NZ-O 3.24Å; K412-V430 WeakPolarHBondContact CE-O 3.18Å; K412-V430 PolarHBondContact NZ-O 3.32Å
413	E	95.3	Very high	90.2	Very high	56 Å²	56	48.5 Å²	48.5	26%	0.262	26%	0.255	S	S	.	.	H	α-helix	trans	-62.4	-28.5	178.8	-64.6	-53.5	121.8	0	0	112.5	S409 F411 L416 T417 S428	S409-E413 WeakPolarHBondContact O-CG 3.08Å; F411-E413 VanDerWaalsContact C-N 3.33Å; F411-E413 PolarHBondContact O-N 3.09Å; E413-L416 WeakPolarHBondContact OE1-CD2 3.33Å; E413-T417 PolarHBondContact O-OG1 3.23Å; E413-T417 VanDerWaalsContact O-OG1 3.12Å; E413-S428 WeakPolarHBondContact OE1-CB 3.46Å
414	S	97.2	Very high	87.9	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-77.3	-43.2	172	-56.5	0	0	0	0	112.3	H367 R371 E410 F411 K412 L416 T417	H367-S414 PolarHBondContact ND1-OG 2.8Å; H367-S414 WeakPolarHBondContact O-CB 3.5Å; R371-S414 PolarHBondContact NE-OG 3.42Å; R371-S414 PolarHBondContact NH2-OG 3.15Å; R371-S414 VanDerWaalsContact NH2-OG 3.13Å; E410-S414 WeakPolarHBondContact O-CB 3.27Å; E410-S414 PolarHBondContact O-N 3.13Å; E410-S414 PolarHBondContact O-OG 2.82Å; F411-S414 WeakPolarHBondContact O-CB 3.47Å; F411-S414 PolarHBondContact O-N 2.98Å; F411-S414 VanDerWaalsContact O-N 3.1Å; K412-S414 PolarHBondContact O-N 3.32Å; S414-L416 VanDerWaalsContact C-N 3.32Å; S414-L416 PolarHBondContact O-N 2.68Å; S414-T417 PolarHBondContact O-N 2.86Å; S414-T417 PolarHBondContact O-OG1 3.02Å
415	M	97.4	Very high	85.6	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-66.1	-29	177.9	-66.9	-78.3	170.7	0	0	113.2	L370 V389 F411 K412 Y492 W504 W517	L370-M415 HydrophobicContact CD2-CE 3.49Å; L370-M415 VanDerWaalsContact CD2-CE 3.49Å; L370-M415 HydrophobicContact CD2-CG 4.39Å; L370-M415 HydrophobicContact CD2-SD 3.34Å; L370-M415 WeakPolarHBondContact CD2-SD 3.46Å; V389-M415 HydrophobicContact CG1-CB 3.85Å; V389-M415 HydrophobicContact CG1-CG 4.3Å; V389-M415 HydrophobicContact CG2-CB 4.01Å; F411-M415 HydrophobicContact CD1-CG 4.49Å; F411-M415 HydrophobicContact CD2-CE 4.36Å; F411-M415 HydrophobicContact CE1-CE 4.37Å; F411-M415 HydrophobicContact CE1-CG 4.25Å; F411-M415 HydrophobicContact CE2-CE 3.53Å; F411-M415 HydrophobicContact CZ-CE 3.54Å; F411-M415 HydrophobicContact CZ-CG 4.33Å; F411-M415 WeakPolarHBondContact O-CG 3.35Å; F411-M415 PolarHBondContact O-N 3.46Å; K412-M415 CarbonylContact O-C 3.51Å; K412-M415 PolarHBondContact O-N 3.3Å; K412-M415 VanDerWaalsContact O-N 3.11Å; M415-Y492 HydrophobicContact CE-CD1 3.84Å; M415-Y492 HydrophobicContact CE-CE1 4.39Å; M415-Y492 HydrophobicContact CE-CG 3.93Å; M415-Y492 HydrophobicContact SD-CD1 4.33Å; M415-Y492 HydrophobicContact SD-CG 4.43Å; M415-W504 WeakPolarHBondContact O-CZ2 3.49Å; M415-W504 HydrophobicContact SD-CH2 3.55Å; M415-W504 VanDerWaalsContact SD-CH2 3.55Å; M415-W504 HydrophobicContact SD-CZ2 4.19Å; M415-W504 HydrophobicContact SD-CZ3 4.48Å; M415-W517 HydrophobicContact CE-CH2 3.65Å; M415-W517 HydrophobicContact CE-CZ2 3.72Å; M415-W517 HydrophobicContact CE-CZ3 4.12Å
416	L	94.6	Very high	83.6	Confident	34 Å²	34	53.2 Å²	53.2	18%	0.178	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-8.4	-178.3	71.3	72.9	0	0	0	114.9	K412 E413 S414 S428 V430 R494	K412-L416 HydrophobicContact CG-CD2 4.45Å; K412-L416 WeakPolarHBondContact O-CG 3.41Å; K412-L416 PolarHBondContact O-N 2.72Å; E413-L416 WeakPolarHBondContact OE1-CD2 3.33Å; S414-L416 VanDerWaalsContact C-N 3.32Å; S414-L416 PolarHBondContact O-N 2.68Å; L416-S428 WeakPolarHBondContact CD2-OG 3.19Å; L416-V430 HydrophobicContact CD2-CG2 4.41Å; L416-R494 VanDerWaalsContact CA-NH1 3.34Å; L416-R494 PolarHBondContact O-NH1 2.77Å
417	T	93.8	Very high	81.7	Confident	26 Å²	26	61.6 Å²	61.6	16%	0.16	34%	0.344	C	S	.	.			trans	-59.5	136.6	179.5	-64.2	0	0	0	0	110.1	R371 L374 K375 E413 S414	R371-T417 HydrophobicContact CG-CG2 4.26Å; L374-T417 HydrophobicContact CB-CG2 4.06Å; L374-T417 WeakPolarHBondContact CB-O 3.5Å; L374-T417 WeakPolarHBondContact CD1-O 3.35Å; K375-T417 HydrophobicContact CB-CG2 3.91Å; E413-T417 PolarHBondContact O-OG1 3.23Å; E413-T417 VanDerWaalsContact O-OG1 3.12Å; S414-T417 PolarHBondContact O-N 2.86Å; S414-T417 PolarHBondContact O-OG1 3.02Å
418	L	90.8	Very high	80.5	Confident	19 Å²	19	63 Å²	63	10%	0.099	36%	0.355	C	S	.	.			trans	-150	113.5	173.3	-71.7	176.4	0	0	0	108.5	A378 I381 A384 A503	A378-L418 HydrophobicContact CB-CD2 3.89Å; I381-L418 HydrophobicContact CB-CD1 4.24Å; I381-L418 HydrophobicContact CD1-CD1 3.99Å; I381-L418 HydrophobicContact CG1-CD1 4.18Å; A384-L418 HydrophobicContact CB-CD1 4.05Å; L418-A503 HydrophobicContact CD2-CB 4.36Å
419	G	88.8	Confident	80	Confident	12 Å²	12	66.7 Å²	66.7	12%	0.124	38%	0.38	C	S	.	.	S	Bend	trans	69.1	-170.6	179.9	0	0	0	0	0	114.7	L374 K375 A378	L374-G419 PolarHBondContact O-N 3.41Å; K375-G419 WeakPolarHBondContact CA-O 3.25Å; K375-G419 CarbonylContact O-C 3.59Å; K375-G419 WeakPolarHBondContact O-CA 3.48Å; A378-G419 WeakPolarHBondContact O-CA 3.45Å; A378-G419 PolarHBondContact O-N 3.33Å
420	K	80.1	Confident	80	Confident	139 Å²	139	64.7 Å²	64.7	60%	0.604	37%	0.366	S	S	*	.	S	Bend	trans	-93.6	-6.1	-167	-62.3	-178.2	179.7	172.3	0	115.1	K375 D376	K375-K420 HydrophobicContact CG-CG 4.2Å; K375-K420 WeakPolarHBondContact O-CG 3.48Å; D376-K420 WeakPolarHBondContact OD1-CE 3.43Å; D376-K420 IonicContact OD1-NZ 3.6Å
421	E	73.8	Confident	80.1	Confident	146 Å²	146	65.3 Å²	65.3	68%	0.682	37%	0.373	S	S	*	.			trans	-74.1	129.5	-177.3	-65.9	-173	149	0	0	111.9	K423	E421-K423 PolarHBondContact O-N 3.01Å
422	S	55.8	Low	80.1	Confident	120 Å²	120	65.8 Å²	65.8	84%	0.839	38%	0.375	S	S	*	.			trans	-86.6	96.5	-179	-61.2	0	0	0	0	110.5
423	K	59	Low	80.1	Confident	117 Å²	117	68 Å²	68	51%	0.509	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-66.4	145.4	166.5	-62.7	-165.9	177.1	-168.9	0	109.9	E385 E421	E385-K423 IonicContact OE1-NZ 3.48Å; E385-K423 PolarHBondContact OE1-NZ 3.05Å; E385-K423 IonicContact OE2-NZ 3.33Å; E385-K423 PolarHBondContact OE2-NZ 3.28Å; E421-K423 PolarHBondContact O-N 3.01Å
424	T	49	Very low	80.3	Confident	132 Å²	132	65.3 Å²	65.3	81%	0.81	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-65.3	137.7	-178	31.4	0	0	0	0	111.3	G426	T424-G426 PolarHBondContact O-N 2.96Å
425	P	47.8	Very low	80.4	Confident	140 Å²	140	65.5 Å²	65.5	91%	0.909	37%	0.372	S	S	*	.	S	Bend	trans	-59.2	120.7	174	-24.3	34.5	0	0	0	111.4
426	G	54.8	Low	80.4	Confident	56 Å²	56	65.5 Å²	65.5	58%	0.577	37%	0.372	S	S	*	.	S	Bend	trans	-169	169.7	-177.2	0	0	0	0	0	110.8	T424 S428	T424-G426 PolarHBondContact O-N 2.96Å; G426-S428 PolarHBondContact O-N 3.24Å
427	K	58	Low	80.7	Confident	176 Å²	176	63.9 Å²	63.9	77%	0.765	36%	0.364	S	S	*	.			trans	-71.8	96.8	-177.4	-168.8	171.1	-173.3	173.8	0	110.6	E403 S429	E403-K427 WeakPolarHBondContact OE1-CE 3.31Å; E403-K427 IonicContact OE1-NZ 2.66Å; E403-K427 PolarHBondContact OE1-NZ 3.36Å; K427-S429 PolarHBondContact O-N 3.5Å
428	S	73.8	Confident	80.9	Confident	31 Å²	31	62.7 Å²	62.7	22%	0.217	36%	0.356	C	S	.	.			trans	-57.6	117.2	-176.7	175.6	0	0	0	0	112.6	K412 E413 L416 G426 V430	K412-S428 PolarHBondContact NZ-O 3.24Å; E413-S428 WeakPolarHBondContact OE1-CB 3.46Å; L416-S428 WeakPolarHBondContact CD2-OG 3.19Å; G426-S428 PolarHBondContact O-N 3.24Å; S428-V430 PolarHBondContact O-N 3.48Å; S428-V430 WeakPolarHBondContact OG-CG2 3.46Å
429	S	84.8	Confident	81.3	Confident	98 Å²	98	63 Å²	63	69%	0.685	36%	0.359	S	S	*	.			trans	-75.5	-5.5	178.6	51.9	0	0	0	0	114.4	K427	K427-S429 PolarHBondContact O-N 3.5Å
430	V	93.7	Very high	81.8	Confident	9 Å²	9	66.6 Å²	66.6	6%	0.055	37%	0.372	C	S	.	.			trans	-51	125	177.1	170.8	0	0	0	0	110.5	E385 W387 V389 K412 L416 S428	E385-V430 WeakPolarHBondContact O-CA 3.44Å; E385-V430 WeakPolarHBondContact O-CG2 3.5Å; W387-V430 WeakPolarHBondContact O-CG1 3.07Å; V389-V430 HydrophobicContact CG2-CG1 4.19Å; K412-V430 WeakPolarHBondContact CE-O 3.18Å; K412-V430 PolarHBondContact NZ-O 3.32Å; L416-V430 HydrophobicContact CD2-CG2 4.41Å; S428-V430 PolarHBondContact O-N 3.48Å; S428-V430 WeakPolarHBondContact OG-CG2 3.46Å
431	P	96.9	Very high	82.7	Confident	42 Å²	42	61 Å²	61	27%	0.273	35%	0.349	S	S	.	.			trans	-64.9	144.2	175.3	-18.2	30	0	0	0	111.4	P388 V389 Y433	P388-P431 WeakPolarHBondContact CA-O 3.5Å; P388-P431 HydrophobicContact CB-CB 4.1Å; P388-P431 HydrophobicContact CB-CG 4.49Å; V389-P431 PolarHBondContact N-O 3.06Å; P431-Y433 HydrophobicContact CB-CE1 4.06Å; P431-Y433 HydrophobicContact CB-CE2 4.04Å; P431-Y433 WeakPolarHBondContact CB-OH 3.3Å
432	L	98.4	Very high	83.8	Confident	11 Å²	11	54 Å²	54	6%	0.058	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	120.2	175.7	177.5	63.7	0	0	0	108.2	V389 L407 L434 Y471	V389-L432 HydrophobicContact CB-CD1 3.83Å; V389-L432 HydrophobicContact CG1-CD1 3.72Å; V389-L432 WeakPolarHBondContact O-CA 3.42Å; L407-L432 HydrophobicContact CD1-CD2 4.26Å; L407-L432 HydrophobicContact CD2-CD2 3.98Å; L407-L432 HydrophobicContact CG-CD2 4.03Å; L432-L434 HydrophobicContact CD1-CD2 3.87Å; L432-L434 HydrophobicContact CD2-CD2 4.26Å; L432-L434 HydrophobicContact CG-CD2 3.94Å; L432-L434 HydrophobicContact CG-CG 4.25Å; L432-Y471 HydrophobicContact CB-CD1 4.25Å; L432-Y471 HydrophobicContact CB-CE1 4.3Å; L432-Y471 HydrophobicContact CD2-CD1 4.33Å; L432-Y471 HydrophobicContact CD2-CE1 4.35Å; L432-Y471 HydrophobicContact CG-CD1 4.37Å
433	Y	98.8	Very high	85.9	Confident	64 Å²	64	50.9 Å²	50.9	25%	0.251	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	121.9	178.6	-52.2	-55	0	0	0	109.2	P388 V389 V390 G391 P431 H473 F499	P388-Y433 HydrophobicContact CB-CD2 3.69Å; P388-Y433 HydrophobicContact CB-CE2 3.32Å; P388-Y433 HydrophobicContact CG-CD2 4.31Å; P388-Y433 HydrophobicContact CG-CE2 3.83Å; V389-Y433 PolarHBondContact O-N 3.06Å; V390-Y433 WeakPolarHBondContact CA-O 3.5Å; V390-Y433 HydrophobicContact CG2-CD2 4.09Å; G391-Y433 PolarHBondContact N-O 3.17Å; P431-Y433 HydrophobicContact CB-CE1 4.06Å; P431-Y433 HydrophobicContact CB-CE2 4.04Å; P431-Y433 WeakPolarHBondContact CB-OH 3.3Å; Y433-H473 AromaticContact CD1-CE1 3.54Å; Y433-H473 AromaticContact CD1-NE2 3.43Å; Y433-H473 WeakPolarHBondContact CD1-NE2 3.38Å; Y433-F499 HydrophobicContact CD2-CE1 4.23Å; Y433-F499 HydrophobicContact CD2-CZ 4.09Å; Y433-F499 HydrophobicContact CE2-CE1 4.13Å; Y433-F499 AromaticContact CE2-CZ 3.58Å; Y433-F499 HydrophobicContact CE2-CZ 3.58Å
434	L	98.9	Very high	87.8	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	112.3	-178.3	-58.6	-176.3	0	0	0	109.5	G391 F393 L407 L432 L468 Y471 F472 H473 L512	G391-L434 CarbonylContact O-C 3.52Å; G391-L434 VanDerWaalsContact O-CA 3.32Å; G391-L434 WeakPolarHBondContact O-CA 3.35Å; F393-L434 HydrophobicContact CE1-CB 4.15Å; F393-L434 HydrophobicContact CE1-CD2 4.11Å; F393-L434 HydrophobicContact CZ-CB 3.98Å; L407-L434 HydrophobicContact CD2-CD1 4.37Å; L432-L434 HydrophobicContact CD1-CD2 3.87Å; L432-L434 HydrophobicContact CD2-CD2 4.26Å; L432-L434 HydrophobicContact CG-CD2 3.94Å; L432-L434 HydrophobicContact CG-CG 4.25Å; L434-L468 HydrophobicContact CD1-CD1 3.74Å; L434-Y471 WeakPolarHBondContact CB-O 3.34Å; L434-Y471 HydrophobicContact CD1-CG 4.36Å; L434-Y471 PolarHBondContact N-O 2.94Å; L434-Y471 VanDerWaalsContact N-O 3.09Å; L434-F472 HydrophobicContact CB-CD1 4Å; L434-F472 HydrophobicContact CB-CE1 4.32Å; L434-F472 HydrophobicContact CD1-CD1 4.48Å; L434-F472 HydrophobicContact CD1-CE1 4.22Å; L434-F472 CarbonylContact O-C 3.6Å; L434-F472 WeakPolarHBondContact O-CA 3.33Å; L434-H473 PolarHBondContact O-N 3.36Å; L434-L512 HydrophobicContact CD1-CD2 3.9Å
435	I	98.9	Very high	90.2	Very high	4 Å²	4	41.3 Å²	41.3	2%	0.021	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	118.8	-179.2	-59.1	173.5	0	0	0	109.3	V390 G391 Q392 F393 H473 W475 Y569 P573	V390-I435 HydrophobicContact CG1-CD1 3.77Å; V390-I435 HydrophobicContact CG1-CG1 4.27Å; G391-I435 PolarHBondContact O-N 2.98Å; Q392-I435 WeakPolarHBondContact CA-O 3.45Å; Q392-I435 HydrophobicContact CB-CB 3.86Å; Q392-I435 HydrophobicContact CB-CD1 4.43Å; Q392-I435 HydrophobicContact CB-CG2 4.41Å; Q392-I435 HydrophobicContact CG-CB 3.87Å; Q392-I435 HydrophobicContact CG-CG2 3.86Å; F393-I435 PolarHBondContact N-O 3.42Å; I435-H473 WeakPolarHBondContact CA-O 3.48Å; I435-H473 HydrophobicContact CG1-CB 4.24Å; I435-W475 HydrophobicContact CG2-CE3 4.14Å; I435-Y569 HydrophobicContact CD1-CD2 3.74Å; I435-Y569 HydrophobicContact CD1-CE2 3.6Å; I435-P573 HydrophobicContact CD1-CB 4.11Å; I435-P573 HydrophobicContact CD1-CG 4.02Å; I435-P573 HydrophobicContact CG1-CB 4.08Å; I435-P573 HydrophobicContact CG1-CG 4.35Å
436	Y	98.9	Very high	92.6	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.204	C	C	.	.			trans	-148.7	137.9	177.4	-178.4	-103.9	0	0	0	109.7	F393 I396 S438 L455 Y457 F472 H473 Y576 P582 W583	F393-Y436 AromaticContact CD2-CD2 3.99Å; F393-Y436 HydrophobicContact CD2-CD2 3.99Å; F393-Y436 AromaticContact CE2-CD2 3.93Å; F393-Y436 HydrophobicContact CE2-CD2 3.93Å; F393-Y436 HydrophobicContact CE2-CG 4.19Å; I396-Y436 HydrophobicContact CD1-CD1 3.97Å; I396-Y436 HydrophobicContact CD1-CD2 3.92Å; I396-Y436 HydrophobicContact CD1-CE1 4.02Å; I396-Y436 HydrophobicContact CD1-CE2 3.98Å; I396-Y436 HydrophobicContact CD1-CG 3.92Å; I396-Y436 HydrophobicContact CG1-CD2 4.47Å; Y436-S438 PolarHBondContact O-N 3.05Å; Y436-L455 PolarHBondContact OH-O 3.43Å; Y436-Y457 HydrophobicContact CE1-CD1 4.26Å; Y436-Y457 VanDerWaalsContact OH-CB 3.32Å; Y436-Y457 WeakPolarHBondContact OH-CB 3.45Å; Y436-F472 HydrophobicContact CD1-CE2 4.35Å; Y436-H473 PolarHBondContact N-O 2.87Å; Y436-Y576 WeakPolarHBondContact O-CE1 3.34Å; Y436-Y576 PolarHBondContact O-OH 3.29Å; Y436-P582 HydrophobicContact CD1-CB 3.91Å; Y436-P582 HydrophobicContact CE1-CB 3.8Å; Y436-W583 HydrophobicContact CE1-CB 4.1Å; Y436-W583 VanDerWaalsContact CE1-O 3.32Å; Y436-W583 WeakPolarHBondContact CE1-O 3.35Å; Y436-W583 PolarHBondContact OH-O 3.45Å
437	P	98.9	Very high	94.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.182	C	C	.	.			trans	-58.6	130.3	-177.1	-27.6	37.5	0	0	0	113.5	N441 V442 L455 W475 M486 P487 Y576 W583	P437-N441 HydrophobicContact CB-CB 4.01Å; P437-V442 HydrophobicContact CB-CG2 3.87Å; P437-L455 HydrophobicContact CB-CD1 3.96Å; P437-L455 HydrophobicContact CG-CD1 3.84Å; P437-L455 HydrophobicContact CG-CD2 4.07Å; P437-W475 HydrophobicContact CG-CB 4.39Å; P437-M486 HydrophobicContact CB-SD 3.91Å; P437-M486 HydrophobicContact CG-SD 4.08Å; P437-P487 HydrophobicContact CG-CG 3.58Å; P437-Y576 PolarHBondContact O-OH 2.87Å; P437-W583 PolarHBondContact O-N 3.45Å
438	S	98.9	Very high	96.6	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.007	15%	0.145	C	C	.	.	B	Isolated β-bridge	trans	-74.4	164.7	167.6	91.2	0	0	0	0	110.7	Y436 E440 N441 V442 Y576 D580 R581	Y436-S438 PolarHBondContact O-N 3.05Å; S438-E440 PolarHBondContact O-N 3.46Å; S438-E440 VanDerWaalsContact O-N 3.15Å; S438-E440 PolarHBondContact OG-N 2.81Å; S438-N441 PolarHBondContact N-OD1 3.09Å; S438-N441 WeakPolarHBondContact O-CB 3.3Å; S438-N441 PolarHBondContact O-N 3.43Å; S438-N441 VanDerWaalsContact O-N 3.08Å; S438-N441 PolarHBondContact OG-N 3.32Å; S438-V442 PolarHBondContact O-N 3.28Å; S438-V442 VanDerWaalsContact O-N 3.13Å; S438-Y576 PolarHBondContact N-OH 2.68Å; S438-D580 VanDerWaalsContact CB-OD1 3.29Å; S438-D580 WeakPolarHBondContact CB-OD1 3.38Å; S438-D580 PolarHBondContact OG-OD1 2.97Å; S438-R581 CarbonylContact C-O 3.18Å; S438-R581 WeakPolarHBondContact CA-O 3.25Å; S438-R581 WeakPolarHBondContact CB-O 3.43Å
439	V	98.9	Very high	97.8	Very high	24 Å²	24	25.4 Å²	25.4	15%	0.145	14%	0.136	C	C	.	.	H	α-helix	trans	-52.7	-35.2	173.3	178.6	0	0	0	0	111.6	V442 R443 R581 P582 Y589	V439-V442 PolarHBondContact O-N 3.38Å; V439-R443 VanDerWaalsContact O-CB 3.28Å; V439-R443 WeakPolarHBondContact O-CB 3.29Å; V439-R443 PolarHBondContact O-N 2.88Å; V439-R581 HydrophobicContact CG2-CB 4.18Å; V439-R581 PolarHBondContact N-O 2.67Å; V439-P582 WeakPolarHBondContact CG2-O 3.25Å; V439-Y589 HydrophobicContact CB-CE1 4.28Å; V439-Y589 HydrophobicContact CG1-CD1 3.65Å; V439-Y589 HydrophobicContact CG1-CE1 3.68Å; V439-Y589 HydrophobicContact CG1-CG 4.14Å; V439-Y589 HydrophobicContact CG2-CD1 4.33Å; V439-Y589 HydrophobicContact CG2-CE1 3.49Å; V439-Y589 VanDerWaalsContact CG2-CE1 3.49Å; V439-Y589 WeakPolarHBondContact CG2-OH 3.43Å
440	E	98.8	Very high	98.5	Very high	88 Å²	88	24.1 Å²	24.1	41%	0.411	13%	0.126	S	C	.	.	H	α-helix	trans	-74.9	-36.9	179.5	-172.1	65.7	178.1	0	0	112.2	S438 V442 R443 T444	S438-E440 PolarHBondContact O-N 3.46Å; S438-E440 VanDerWaalsContact O-N 3.15Å; S438-E440 PolarHBondContact OG-N 2.81Å; E440-V442 VanDerWaalsContact C-N 3.3Å; E440-V442 PolarHBondContact O-N 2.9Å; E440-R443 VanDerWaalsContact CD-NH2 3.34Å; E440-R443 IonicContact OE1-CZ 2.66Å; E440-R443 IonicContact OE1-NE 3.33Å; E440-R443 IonicContact OE1-NH2 3.38Å; E440-R443 PolarHBondContact OE1-NH2 3.01Å; E440-R443 IonicContact OE2-CZ 2.77Å; E440-R443 IonicContact OE2-NE 3.18Å; E440-R443 PolarHBondContact OE2-NE 3.14Å; E440-R443 IonicContact OE2-NH2 3.91Å; E440-R443 PolarHBondContact OE2-NH2 2.87Å; E440-T444 WeakPolarHBondContact O-CB 3.32Å; E440-T444 PolarHBondContact O-N 3.05Å; E440-T444 PolarHBondContact O-OG1 3.13Å
441	N	98.9	Very high	98.7	Very high	22 Å²	22	23.8 Å²	23.8	12%	0.118	12%	0.124	C	C	.	.	H	α-helix	trans	-56.7	-45.1	170.5	-74.6	135.9	0	0	0	111.1	P437 S438 S445 W475 M486	P437-N441 HydrophobicContact CB-CB 4.01Å; S438-N441 PolarHBondContact N-OD1 3.09Å; S438-N441 WeakPolarHBondContact O-CB 3.3Å; S438-N441 PolarHBondContact O-N 3.43Å; S438-N441 VanDerWaalsContact O-N 3.08Å; S438-N441 PolarHBondContact OG-N 3.32Å; N441-S445 PolarHBondContact O-N 2.69Å; N441-W475 PolarHBondContact ND2-O 2.68Å; N441-W475 PolarHBondContact OD1-N 3.19Å; N441-M486 HydrophobicContact CB-CE 4.09Å; N441-M486 HydrophobicContact CB-SD 4.06Å; N441-M486 WeakPolarHBondContact O-CE 3.02Å
442	V	98.9	Very high	98.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-70.5	-48.8	-179.2	178.9	0	0	0	0	111.2	P437 S438 V439 E440 T444 S445 G448 Y449 A451 L455 M486 W583	P437-V442 HydrophobicContact CB-CG2 3.87Å; S438-V442 PolarHBondContact O-N 3.28Å; S438-V442 VanDerWaalsContact O-N 3.13Å; V439-V442 PolarHBondContact O-N 3.38Å; E440-V442 VanDerWaalsContact C-N 3.3Å; E440-V442 PolarHBondContact O-N 2.9Å; V442-T444 PolarHBondContact O-N 2.88Å; V442-S445 WeakPolarHBondContact O-CB 3.36Å; V442-S445 PolarHBondContact O-N 3.31Å; V442-S445 PolarHBondContact O-OG 2.96Å; V442-G448 CarbonylContact O-C 2.95Å; V442-G448 VanDerWaalsContact O-O 3.1Å; V442-Y449 HydrophobicContact CG1-CD1 4.38Å; V442-A451 HydrophobicContact CG1-CB 4.3Å; V442-L455 HydrophobicContact CG2-CD1 3.49Å; V442-L455 VanDerWaalsContact CG2-CD1 3.49Å; V442-M486 HydrophobicContact CG2-SD 4.12Å; V442-W583 HydrophobicContact CB-CD2 4.25Å; V442-W583 HydrophobicContact CB-CE3 3.77Å; V442-W583 HydrophobicContact CB-CZ3 4.23Å; V442-W583 HydrophobicContact CG1-CD2 4.07Å; V442-W583 HydrophobicContact CG1-CE3 3.69Å; V442-W583 HydrophobicContact CG1-CH2 4.23Å; V442-W583 HydrophobicContact CG1-CZ3 3.78Å; V442-W583 HydrophobicContact CG2-CB 3.89Å; V442-W583 HydrophobicContact CG2-CD2 3.97Å; V442-W583 HydrophobicContact CG2-CE3 3.96Å; V442-W583 HydrophobicContact CG2-CG 3.93Å
443	R	98.9	Very high	98.7	Very high	53 Å²	53	22.2 Å²	22.2	20%	0.2	12%	0.118	C	C	.	.	H	α-helix	trans	-56.2	-36.9	179.5	-172	-172.9	74.7	73.5	4.1	112.8	V439 E440 Y449 P593 D594 T595	V439-R443 VanDerWaalsContact O-CB 3.28Å; V439-R443 WeakPolarHBondContact O-CB 3.29Å; V439-R443 PolarHBondContact O-N 2.88Å; E440-R443 VanDerWaalsContact CD-NH2 3.34Å; E440-R443 IonicContact OE1-CZ 2.66Å; E440-R443 IonicContact OE1-NE 3.33Å; E440-R443 IonicContact OE1-NH2 3.38Å; E440-R443 PolarHBondContact OE1-NH2 3.01Å; E440-R443 IonicContact OE2-CZ 2.77Å; E440-R443 IonicContact OE2-NE 3.18Å; E440-R443 PolarHBondContact OE2-NE 3.14Å; E440-R443 IonicContact OE2-NH2 3.91Å; E440-R443 PolarHBondContact OE2-NH2 2.87Å; R443-Y449 HydrophobicContact CB-CD1 4.41Å; R443-Y449 HydrophobicContact CB-CE1 3.72Å; R443-Y449 WeakPolarHBondContact CD-OH 3.2Å; R443-Y449 HydrophobicContact CG-CE1 3.96Å; R443-Y449 HydrophobicContact CG-CE2 4.16Å; R443-Y449 WeakPolarHBondContact CG-OH 3.21Å; R443-P593 WeakPolarHBondContact CD-O 3.19Å; R443-P593 WeakPolarHBondContact CG-O 3.5Å; R443-P593 PolarHBondContact NH1-O 2.73Å; R443-D594 HydrophobicContact CG-CB 4.23Å; R443-D594 VanDerWaalsContact O-CA 3.29Å; R443-D594 WeakPolarHBondContact O-CA 3.09Å; R443-D594 WeakPolarHBondContact O-CB 3.41Å; R443-T595 PolarHBondContact O-N 3.42Å; R443-T595 VanDerWaalsContact O-N 3.13Å; R443-T595 PolarHBondContact O-OG1 2.89Å
444	T	98.8	Very high	98.7	Very high	48 Å²	48	19.9 Å²	19.9	29%	0.294	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	14.2	-179.5	63.3	0	0	0	0	113.6	E440 V442 N484	E440-T444 WeakPolarHBondContact O-CB 3.32Å; E440-T444 PolarHBondContact O-N 3.05Å; E440-T444 PolarHBondContact O-OG1 3.13Å; V442-T444 PolarHBondContact O-N 2.88Å; T444-N484 PolarHBondContact O-ND2 3.46Å
445	S	98.9	Very high	98.7	Very high	1 Å²	1	20 Å²	20	1%	0.007	11%	0.111	C	C	.	.	S	Bend	trans	-75.3	166.4	177	77.9	0	0	0	0	112.8	N441 V442 E447 G448 N484 T595	N441-S445 PolarHBondContact O-N 2.69Å; V442-S445 WeakPolarHBondContact O-CB 3.36Å; V442-S445 PolarHBondContact O-N 3.31Å; V442-S445 PolarHBondContact O-OG 2.96Å; S445-E447 PolarHBondContact O-N 3.18Å; S445-E447 PolarHBondContact OG-N 2.8Å; S445-G448 PolarHBondContact O-N 3.35Å; S445-G448 PolarHBondContact OG-N 2.87Å; S445-G448 PolarHBondContact OG-O 3.04Å; S445-N484 CarbonylContact C-O 3.5Å; S445-N484 VanDerWaalsContact CA-O 3.25Å; S445-N484 WeakPolarHBondContact CA-O 3.46Å; S445-N484 VanDerWaalsContact CB-O 3.29Å; S445-N484 WeakPolarHBondContact CB-O 3.39Å; S445-T595 WeakPolarHBondContact O-CB 3.45Å; S445-T595 PolarHBondContact O-OG1 2.92Å
446	L	98.8	Very high	98.6	Very high	37 Å²	37	21.2 Å²	21.2	19%	0.194	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-33.3	174.7	-67.5	172	0	0	0	112.7	V166 V169 Q286 N484 A485 H596	V166-L446 HydrophobicContact CG1-CD1 3.68Å; V169-L446 HydrophobicContact CG1-CD1 4.18Å; Q286-L446 HydrophobicContact CB-CB 4.17Å; Q286-L446 HydrophobicContact CB-CD1 4.44Å; Q286-L446 HydrophobicContact CG-CB 4.07Å; Q286-L446 HydrophobicContact CG-CD1 4.14Å; L446-N484 HydrophobicContact CD2-CB 4.38Å; L446-N484 HydrophobicContact CG-CB 3.98Å; L446-N484 PolarHBondContact N-O 2.79Å; L446-A485 HydrophobicContact CD1-CB 4.05Å; L446-H596 PolarHBondContact O-NE2 3.41Å
447	E	98.7	Very high	98.6	Very high	24 Å²	24	21.2 Å²	21.2	11%	0.112	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-9.4	179	-52.4	175.1	85.3	0	0	112.5	Q286 K287 S445 P450 A451 H596	Q286-E447 HydrophobicContact CB-CG 3.68Å; K287-E447 WeakPolarHBondContact CG-OE2 3.29Å; K287-E447 IonicContact NZ-OE1 2.74Å; K287-E447 PolarHBondContact NZ-OE1 3.11Å; K287-E447 IonicContact NZ-OE2 2.66Å; K287-E447 PolarHBondContact NZ-OE2 2.79Å; S445-E447 PolarHBondContact O-N 3.18Å; S445-E447 PolarHBondContact OG-N 2.8Å; E447-P450 VanDerWaalsContact O-CD 3.31Å; E447-P450 WeakPolarHBondContact O-CD 3.42Å; E447-A451 HydrophobicContact CB-CB 3.91Å; E447-A451 HydrophobicContact CG-CB 4.43Å; E447-A451 WeakPolarHBondContact OE2-CB 3.25Å; E447-H596 PolarHBondContact O-CD2 3.16Å
448	G	98.8	Very high	98.6	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.124	C	C	.	.			trans	66.9	-149.5	-169.3	0	0	0	0	0	113	V442 S445 P450 A451	V442-G448 CarbonylContact O-C 2.95Å; V442-G448 VanDerWaalsContact O-O 3.1Å; S445-G448 PolarHBondContact O-N 3.35Å; S445-G448 PolarHBondContact OG-N 2.87Å; S445-G448 PolarHBondContact OG-O 3.04Å; G448-P450 VanDerWaalsContact C-CD 3.47Å; G448-P450 VanDerWaalsContact C-N 3.34Å; G448-A451 WeakPolarHBondContact O-CB 3.46Å; G448-A451 PolarHBondContact O-N 3.24Å
449	Y	98.8	Very high	98.5	Very high	7 Å²	7	23.3 Å²	23.3	3%	0.027	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-57.9	-34.6	176.4	-75.6	-50.3	0	0	0	114.9	V442 R443 A451 G452 W583 Y589 A592 D594 W600	V442-Y449 HydrophobicContact CG1-CD1 4.38Å; R443-Y449 HydrophobicContact CB-CD1 4.41Å; R443-Y449 HydrophobicContact CB-CE1 3.72Å; R443-Y449 WeakPolarHBondContact CD-OH 3.2Å; R443-Y449 HydrophobicContact CG-CE1 3.96Å; R443-Y449 HydrophobicContact CG-CE2 4.16Å; R443-Y449 WeakPolarHBondContact CG-OH 3.21Å; Y449-A451 PolarHBondContact O-N 2.92Å; Y449-A451 VanDerWaalsContact O-N 3.07Å; Y449-G452 WeakPolarHBondContact O-CA 3.42Å; Y449-G452 PolarHBondContact O-N 2.83Å; Y449-W583 AromaticContact CD1-CH2 3.86Å; Y449-W583 HydrophobicContact CD1-CH2 3.86Å; Y449-W583 AromaticContact CD1-CZ3 3.52Å; Y449-W583 HydrophobicContact CD1-CZ3 3.52Å; Y449-W583 AromaticContact CE1-CZ3 3.88Å; Y449-W583 HydrophobicContact CE1-CZ3 3.88Å; Y449-Y589 HydrophobicContact CE1-CD2 4.28Å; Y449-Y589 HydrophobicContact CE1-CG 4.23Å; Y449-Y589 WeakPolarHBondContact OH-CB 3.45Å; Y449-A592 PolarHBondContact OH-O 3.2Å; Y449-D594 HydrophobicContact CD2-CB 3.6Å; Y449-D594 HydrophobicContact CE2-CB 4.04Å; Y449-D594 HydrophobicContact CG-CB 3.99Å; Y449-D594 PolarHBondContact N-OD2 3.31Å; Y449-W600 HydrophobicContact CD1-CB 4.06Å; Y449-W600 HydrophobicContact CD2-CB 3.88Å; Y449-W600 HydrophobicContact CE2-CB 4.39Å; Y449-W600 HydrophobicContact CG-CB 3.69Å
450	P	98.6	Very high	98.5	Very high	72 Å²	72	26.2 Å²	26.2	47%	0.468	14%	0.144	S	C	.	.	G	3₁₀ helix	trans	-49.5	-27.7	171.4	-34	37	0	0	0	116.6	E447 G448 G452 G453	E447-P450 VanDerWaalsContact O-CD 3.31Å; E447-P450 WeakPolarHBondContact O-CD 3.42Å; G448-P450 VanDerWaalsContact C-CD 3.47Å; G448-P450 VanDerWaalsContact C-N 3.34Å; P450-G452 PolarHBondContact O-N 2.82Å; P450-G452 VanDerWaalsContact O-N 3.14Å; P450-G453 PolarHBondContact O-N 3.14Å
451	A	98.6	Very high	98.5	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.008	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-55.6	-32.9	172.9	0	0	0	0	0	112.1	V442 E447 G448 Y449 G453 S454 M486	V442-A451 HydrophobicContact CG1-CB 4.3Å; E447-A451 HydrophobicContact CB-CB 3.91Å; E447-A451 HydrophobicContact CG-CB 4.43Å; E447-A451 WeakPolarHBondContact OE2-CB 3.25Å; G448-A451 WeakPolarHBondContact O-CB 3.46Å; G448-A451 PolarHBondContact O-N 3.24Å; Y449-A451 PolarHBondContact O-N 2.92Å; Y449-A451 VanDerWaalsContact O-N 3.07Å; A451-G453 VanDerWaalsContact C-N 3.25Å; A451-G453 PolarHBondContact O-N 2.95Å; A451-S454 WeakPolarHBondContact O-CB 3.27Å; A451-S454 PolarHBondContact O-N 3.22Å; A451-M486 HydrophobicContact CB-CB 3.97Å; A451-M486 HydrophobicContact CB-CG 3.65Å
452	G	98.3	Very high	98.5	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-64.4	-20.4	-178.4	0	0	0	0	0	115.4	Y449 P450 S454 L455 W583	Y449-G452 WeakPolarHBondContact O-CA 3.42Å; Y449-G452 PolarHBondContact O-N 2.83Å; P450-G452 PolarHBondContact O-N 2.82Å; P450-G452 VanDerWaalsContact O-N 3.14Å; G452-S454 PolarHBondContact O-N 3.39Å; G452-L455 PolarHBondContact O-N 2.72Å; G452-W583 VanDerWaalsContact CA-CZ2 3.47Å; G452-W583 VanDerWaalsContact CA-NE1 3.27Å; G452-W583 PolarHBondContact O-NE1 2.87Å
453	G	97.4	Very high	98.4	Very high	20 Å²	20	27.5 Å²	27.5	21%	0.206	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-63.8	-28.7	169.8	0	0	0	0	0	112.6	P450 A451 L455	P450-G453 PolarHBondContact O-N 3.14Å; A451-G453 VanDerWaalsContact C-N 3.25Å; A451-G453 PolarHBondContact O-N 2.95Å; G453-L455 VanDerWaalsContact C-N 3.28Å
454	S	97.6	Very high	98.4	Very high	15 Å²	15	30 Å²	30	11%	0.105	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-86	3.2	173.8	-48.3	0	0	0	0	113.6	K287 A451 G452 P456	K287-S454 WeakPolarHBondContact CE-OG 3.24Å; K287-S454 PolarHBondContact NZ-OG 2.89Å; A451-S454 WeakPolarHBondContact O-CB 3.27Å; A451-S454 PolarHBondContact O-N 3.22Å; G452-S454 PolarHBondContact O-N 3.39Å; S454-P456 VanDerWaalsContact O-CD 3.3Å; S454-P456 WeakPolarHBondContact O-CD 3.32Å
455	L	98.5	Very high	98.4	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.01	15%	0.148	C	C	.	.	S	Bend	trans	-118.2	59.7	-178.4	-62.3	173.2	0	0	0	112.2	S394 Y436 P437 V442 G452 G453 Y457 W583	S394-L455 CarbonylContact O-C 3.5Å; S394-L455 WeakPolarHBondContact O-CA 3.47Å; Y436-L455 PolarHBondContact OH-O 3.43Å; P437-L455 HydrophobicContact CB-CD1 3.96Å; P437-L455 HydrophobicContact CG-CD1 3.84Å; P437-L455 HydrophobicContact CG-CD2 4.07Å; V442-L455 HydrophobicContact CG2-CD1 3.49Å; V442-L455 VanDerWaalsContact CG2-CD1 3.49Å; G452-L455 PolarHBondContact O-N 2.72Å; G453-L455 VanDerWaalsContact C-N 3.28Å; L455-Y457 PolarHBondContact O-N 2.7Å; L455-W583 VanDerWaalsContact CB-CD1 3.43Å; L455-W583 HydrophobicContact CB-CG 4.31Å; L455-W583 HydrophobicContact CD1-CG 4.39Å
456	P	97.8	Very high	98.3	Very high	30 Å²	30	32.1 Å²	32.1	20%	0.195	17%	0.171	C	C	.	.			trans	-75.8	89.3	-169.2	30.3	-35.5	0	0	0	112.8	L85 S395 S454	L85-P456 HydrophobicContact CD1-CB 3.91Å; L85-P456 HydrophobicContact CD2-CB 3.75Å; L85-P456 HydrophobicContact CD2-CG 4.09Å; S395-P456 WeakPolarHBondContact CB-O 3.44Å; S395-P456 PolarHBondContact OG-O 2.86Å; S454-P456 VanDerWaalsContact O-CD 3.3Å; S454-P456 WeakPolarHBondContact O-CD 3.32Å
457	Y	98.6	Very high	98.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.173	C	C	.	.			trans	-113.9	115.7	159.5	-176	-151.8	0	0	0	108.7	I396 Y436 L455 T461 A462 Q465 H469 F472 P582 I584 W585	I396-Y457 HydrophobicContact CB-CD2 3.61Å; I396-Y457 HydrophobicContact CB-CE2 3.7Å; I396-Y457 HydrophobicContact CB-CG 4.03Å; I396-Y457 HydrophobicContact CD1-CD1 3.52Å; I396-Y457 HydrophobicContact CD1-CD2 4.16Å; I396-Y457 HydrophobicContact CD1-CE1 3.62Å; I396-Y457 HydrophobicContact CD1-CE2 4.25Å; I396-Y457 HydrophobicContact CD1-CG 3.77Å; I396-Y457 HydrophobicContact CG1-CG 4.49Å; I396-Y457 HydrophobicContact CG2-CD2 4Å; I396-Y457 HydrophobicContact CG2-CE2 3.53Å; Y436-Y457 HydrophobicContact CE1-CD1 4.26Å; Y436-Y457 VanDerWaalsContact OH-CB 3.32Å; Y436-Y457 WeakPolarHBondContact OH-CB 3.45Å; L455-Y457 PolarHBondContact O-N 2.7Å; Y457-T461 HydrophobicContact CD2-CG2 4.27Å; Y457-T461 HydrophobicContact CE2-CG2 3.85Å; Y457-A462 HydrophobicContact CD1-CB 4.32Å; Y457-A462 HydrophobicContact CD2-CB 4.47Å; Y457-A462 HydrophobicContact CE1-CB 3.75Å; Y457-A462 HydrophobicContact CE2-CB 3.91Å; Y457-Q465 PolarHBondContact OH-NE2 2.93Å; Y457-H469 AromaticContact CE1-NE2 3.65Å; Y457-H469 AromaticContact CZ-NE2 3.39Å; Y457-H469 PolarHBondContact OH-NE2 3.01Å; Y457-F472 HydrophobicContact CE1-CE2 4.21Å; Y457-P582 HydrophobicContact CD1-CB 4.33Å; Y457-P582 HydrophobicContact CE1-CB 4.29Å; Y457-P582 HydrophobicContact CE1-CG 4.3Å; Y457-I584 HydrophobicContact CD1-CG1 4.25Å; Y457-I584 WeakPolarHBondContact O-CA 3.48Å; Y457-W585 VanDerWaalsContact O-CD1 3.29Å; Y457-W585 PolarHBondContact O-N 3.24Å; Y457-W585 VanDerWaalsContact O-N 3.09Å
458	S	98.4	Very high	98.3	Very high	14 Å²	14	32 Å²	32	10%	0.098	17%	0.167	C	C	.	.			trans	-88.2	150.3	-174.6	65.3	0	0	0	0	112.6	Q460 T461 A462 N586	S458-Q460 VanDerWaalsContact C-N 3.27Å; S458-Q460 PolarHBondContact O-N 3.09Å; S458-T461 WeakPolarHBondContact O-CB 3.48Å; S458-T461 PolarHBondContact O-N 3.31Å; S458-T461 PolarHBondContact OG-N 3.04Å; S458-T461 PolarHBondContact OG-OG1 2.8Å; S458-A462 PolarHBondContact O-N 2.81Å; S458-N586 VanDerWaalsContact CA-OD1 3.3Å; S458-N586 WeakPolarHBondContact CA-OD1 3.22Å
459	I	98.4	Very high	98.2	Very high	31 Å²	31	34 Å²	34	16%	0.159	18%	0.176	C	C	.	.	H	α-helix	trans	-59.1	-40.1	178.2	-171.4	62.9	0	0	0	111.6	T461 A462 E463 I584 N586 I587	I459-T461 PolarHBondContact O-N 3.4Å; I459-A462 PolarHBondContact O-N 3.28Å; I459-E463 HydrophobicContact CD1-CG 3.74Å; I459-E463 HydrophobicContact CG1-CG 3.97Å; I459-E463 WeakPolarHBondContact O-CG 3.43Å; I459-E463 PolarHBondContact O-N 2.96Å; I459-I584 HydrophobicContact CB-CG2 3.79Å; I459-I584 HydrophobicContact CD1-CD1 3.93Å; I459-I584 HydrophobicContact CD1-CG2 4.3Å; I459-N586 PolarHBondContact N-OD1 2.61Å; I459-I587 HydrophobicContact CB-CG2 3.73Å; I459-I587 HydrophobicContact CD1-CG2 4.2Å; I459-I587 HydrophobicContact CG1-CG2 3.88Å; I459-I587 HydrophobicContact CG2-CG2 3.99Å
460	Q	98.1	Very high	98.2	Very high	86 Å²	86	37.8 Å²	37.8	40%	0.402	20%	0.204	S	C	.	.	H	α-helix	trans	-60.1	-29.9	176	-60.8	79.4	8.6	0	0	112.4	S458 K464 N586	S458-Q460 VanDerWaalsContact C-N 3.27Å; S458-Q460 PolarHBondContact O-N 3.09Å; Q460-K464 WeakPolarHBondContact O-CD 3.29Å; Q460-K464 WeakPolarHBondContact O-CE 3.42Å; Q460-K464 WeakPolarHBondContact O-CG 3.41Å; Q460-K464 PolarHBondContact O-NZ 2.98Å; Q460-N586 PolarHBondContact OE1-ND2 2.91Å
461	T	98.4	Very high	98.2	Very high	11 Å²	11	36.3 Å²	36.3	7%	0.067	19%	0.189	C	C	.	.	H	α-helix	trans	-81.4	-45.2	172.5	-52.1	0	0	0	0	110.7	G397 S398 Y457 S458 I459 K464 Q465	G397-T461 VanDerWaalsContact C-CG2 3.44Å; S398-T461 VanDerWaalsContact N-CG2 3.35Å; Y457-T461 HydrophobicContact CD2-CG2 4.27Å; Y457-T461 HydrophobicContact CE2-CG2 3.85Å; S458-T461 WeakPolarHBondContact O-CB 3.48Å; S458-T461 PolarHBondContact O-N 3.31Å; S458-T461 PolarHBondContact OG-N 3.04Å; S458-T461 PolarHBondContact OG-OG1 2.8Å; I459-T461 PolarHBondContact O-N 3.4Å; T461-K464 PolarHBondContact O-N 3.43Å; T461-Q465 WeakPolarHBondContact O-CG 3.22Å
462	A	98.4	Very high	98.2	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-64.9	-43.2	-172.1	0	0	0	0	0	113.4	Y457 S458 I459 K464 Q465 N466 H469 I584	Y457-A462 HydrophobicContact CD1-CB 4.32Å; Y457-A462 HydrophobicContact CD2-CB 4.47Å; Y457-A462 HydrophobicContact CE1-CB 3.75Å; Y457-A462 HydrophobicContact CE2-CB 3.91Å; S458-A462 PolarHBondContact O-N 2.81Å; I459-A462 PolarHBondContact O-N 3.28Å; A462-K464 VanDerWaalsContact C-N 3.26Å; A462-K464 PolarHBondContact O-N 2.9Å; A462-Q465 CarbonylContact O-C 3.59Å; A462-Q465 PolarHBondContact O-N 3.4Å; A462-Q465 VanDerWaalsContact O-N 3.07Å; A462-N466 PolarHBondContact O-N 2.81Å; A462-H469 WeakPolarHBondContact CA-NE2 3.32Å; A462-H469 WeakPolarHBondContact CB-NE2 3.32Å; A462-H469 PolarHBondContact O-NE2 3.34Å; A462-I584 HydrophobicContact CB-CD1 3.77Å; A462-I584 HydrophobicContact CB-CG1 4.36Å
463	E	97.9	Very high	98.2	Very high	125 Å²	125	36.9 Å²	36.9	58%	0.584	19%	0.192	S	C	*	.	G	3₁₀ helix	trans	-63	-33.3	-178.4	-70.5	178	152.5	0	0	112.5	I459 Q465 N466	I459-E463 HydrophobicContact CD1-CG 3.74Å; I459-E463 HydrophobicContact CG1-CG 3.97Å; I459-E463 WeakPolarHBondContact O-CG 3.43Å; I459-E463 PolarHBondContact O-N 2.96Å; E463-Q465 PolarHBondContact O-N 2.91Å; E463-N466 PolarHBondContact O-ND2 2.98Å; E463-N466 VanDerWaalsContact O-ND2 3.09Å
464	K	98	Very high	98.3	Very high	105 Å²	105	37.9 Å²	37.9	46%	0.457	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-68.6	-13.5	176.9	-62.7	173	-173.8	167	0	113.4	D89 Q460 T461 A462	D89-K464 IonicContact OD1-NZ 3.71Å; D89-K464 PolarHBondContact OD1-NZ 3.34Å; D89-K464 IonicContact OD2-NZ 3.83Å; D89-K464 PolarHBondContact OD2-NZ 3.14Å; Q460-K464 WeakPolarHBondContact O-CD 3.29Å; Q460-K464 WeakPolarHBondContact O-CE 3.42Å; Q460-K464 WeakPolarHBondContact O-CG 3.41Å; Q460-K464 PolarHBondContact O-NZ 2.98Å; T461-K464 PolarHBondContact O-N 3.43Å; A462-K464 VanDerWaalsContact C-N 3.26Å; A462-K464 PolarHBondContact O-N 2.9Å
465	Q	98.4	Very high	98.4	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-145.7	37.4	-171.9	69.3	-168	14.7	0	0	114.3	G397 Y457 T461 A462 E463 W467 L468	G397-Q465 PolarHBondContact O-NE2 3.15Å; G397-Q465 PolarHBondContact O-OE1 2.89Å; Y457-Q465 PolarHBondContact OH-NE2 2.93Å; T461-Q465 WeakPolarHBondContact O-CG 3.22Å; A462-Q465 CarbonylContact O-C 3.59Å; A462-Q465 PolarHBondContact O-N 3.4Å; A462-Q465 VanDerWaalsContact O-N 3.07Å; E463-Q465 PolarHBondContact O-N 2.91Å; Q465-W467 HydrophobicContact CB-CZ2 4.37Å; Q465-W467 PolarHBondContact O-N 2.8Å; Q465-L468 HydrophobicContact CG-CB 4.41Å; Q465-L468 HydrophobicContact CG-CD2 4.31Å; Q465-L468 WeakPolarHBondContact O-CB 3.42Å; Q465-L468 PolarHBondContact O-N 2.8Å
466	N	97.9	Very high	98.4	Very high	94 Å²	94	39.2 Å²	39.2	50%	0.503	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-51.6	-25.3	177.5	-75.2	-55.5	0	0	0	114.5	A462 E463 L468 H469	A462-N466 PolarHBondContact O-N 2.81Å; E463-N466 PolarHBondContact O-ND2 2.98Å; E463-N466 VanDerWaalsContact O-ND2 3.09Å; N466-L468 PolarHBondContact O-N 3.31Å; N466-H469 PolarHBondContact O-N 3.31Å; N466-H469 PolarHBondContact OD1-CE1 3.21Å
467	W	98.3	Very high	98.4	Very high	59 Å²	59	37.8 Å²	37.8	22%	0.223	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-53.9	-34.4	171.8	62.6	-98.5	0	0	0	112.8	L399 G400 A401 E403 L407 Q465 H469 S470 Y471	L399-W467 HydrophobicContact CB-CH2 4.45Å; L399-W467 HydrophobicContact CB-CZ2 4.25Å; L399-W467 HydrophobicContact CD1-CH2 4.47Å; G400-W467 PolarHBondContact O-NE1 3.2Å; A401-W467 VanDerWaalsContact C-NE1 3.3Å; A401-W467 PolarHBondContact O-NE1 2.89Å; E403-W467 HydrophobicContact CB-CE3 4.24Å; E403-W467 HydrophobicContact CB-CZ3 3.99Å; L407-W467 HydrophobicContact CB-CH2 4.07Å; L407-W467 HydrophobicContact CD2-CH2 3.91Å; L407-W467 HydrophobicContact CD2-CZ3 3.69Å; Q465-W467 HydrophobicContact CB-CZ2 4.37Å; Q465-W467 PolarHBondContact O-N 2.8Å; W467-H469 VanDerWaalsContact C-N 3.27Å; W467-H469 PolarHBondContact O-N 3.17Å; W467-S470 PolarHBondContact O-N 2.95Å; W467-S470 PolarHBondContact O-OG 3.1Å; W467-Y471 HydrophobicContact CE3-CE2 4.15Å; W467-Y471 HydrophobicContact CZ3-CE2 4.12Å
468	L	98.6	Very high	98.4	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-64.6	-30	-177.1	-178	64.3	0	0	0	112.4	I396 L399 L407 L434 Q465 N466 S470 Y471 F472	I396-L468 HydrophobicContact CG2-CD2 3.71Å; L399-L468 HydrophobicContact CD1-CD1 3.89Å; L399-L468 HydrophobicContact CD1-CD2 3.7Å; L399-L468 HydrophobicContact CD1-CG 4.44Å; L399-L468 HydrophobicContact CG-CD2 4.38Å; L407-L468 HydrophobicContact CD2-CD1 3.74Å; L434-L468 HydrophobicContact CD1-CD1 3.74Å; Q465-L468 HydrophobicContact CG-CB 4.41Å; Q465-L468 HydrophobicContact CG-CD2 4.31Å; Q465-L468 WeakPolarHBondContact O-CB 3.42Å; Q465-L468 PolarHBondContact O-N 2.8Å; N466-L468 PolarHBondContact O-N 3.31Å; L468-S470 PolarHBondContact O-N 3.07Å; L468-S470 VanDerWaalsContact O-N 3.16Å; L468-Y471 HydrophobicContact CD1-CD2 4.47Å; L468-Y471 WeakPolarHBondContact O-CB 3.32Å; L468-Y471 PolarHBondContact O-N 2.89Å; L468-F472 HydrophobicContact CD1-CE1 4.28Å; L468-F472 HydrophobicContact CD2-CE1 4.1Å; L468-F472 HydrophobicContact CD2-CZ 3.86Å; L468-F472 HydrophobicContact CG-CE1 3.68Å; L468-F472 HydrophobicContact CG-CZ 3.78Å
469	H	97.9	Very high	98.3	Very high	40 Å²	40	43.3 Å²	43.3	19%	0.185	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-68.9	-17	-174.2	-50.9	169.4	0	0	0	111.9	Y457 A462 N466 W467 Y471 F472	Y457-H469 AromaticContact CE1-NE2 3.65Å; Y457-H469 AromaticContact CZ-NE2 3.39Å; Y457-H469 PolarHBondContact OH-NE2 3.01Å; A462-H469 WeakPolarHBondContact CA-NE2 3.32Å; A462-H469 WeakPolarHBondContact CB-NE2 3.32Å; A462-H469 PolarHBondContact O-NE2 3.34Å; N466-H469 PolarHBondContact O-N 3.31Å; N466-H469 PolarHBondContact OD1-CE1 3.21Å; W467-H469 VanDerWaalsContact C-N 3.27Å; W467-H469 PolarHBondContact O-N 3.17Å; H469-Y471 PolarHBondContact O-N 3.3Å; H469-F472 HydrophobicContact CB-CD2 4.17Å; H469-F472 HydrophobicContact CB-CE2 4.44Å; H469-F472 AromaticContact CD2-CE2 3.71Å; H469-F472 WeakPolarHBondContact O-CB 3.16Å; H469-F472 PolarHBondContact O-N 2.92Å
470	S	98	Very high	98.3	Very high	87 Å²	87	41.9 Å²	41.9	61%	0.608	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	-65.2	-19.6	171.8	66.1	0	0	0	0	114	W467 L468	W467-S470 PolarHBondContact O-N 2.95Å; W467-S470 PolarHBondContact O-OG 3.1Å; L468-S470 PolarHBondContact O-N 3.07Å; L468-S470 VanDerWaalsContact O-N 3.16Å
471	Y	98.6	Very high	98.3	Very high	41 Å²	41	38.4 Å²	38.4	16%	0.161	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-90.4	-1.8	175.5	-66	-89.9	0	0	0	113.3	E403 L407 L432 L434 W467 L468 H469 H473	E403-Y471 PolarHBondContact OE2-OH 3.21Å; L407-Y471 HydrophobicContact CD2-CE2 4.45Å; L432-Y471 HydrophobicContact CB-CD1 4.25Å; L432-Y471 HydrophobicContact CB-CE1 4.3Å; L432-Y471 HydrophobicContact CD2-CD1 4.33Å; L432-Y471 HydrophobicContact CD2-CE1 4.35Å; L432-Y471 HydrophobicContact CG-CD1 4.37Å; L434-Y471 WeakPolarHBondContact CB-O 3.34Å; L434-Y471 HydrophobicContact CD1-CG 4.36Å; L434-Y471 PolarHBondContact N-O 2.94Å; L434-Y471 VanDerWaalsContact N-O 3.09Å; W467-Y471 HydrophobicContact CE3-CE2 4.15Å; W467-Y471 HydrophobicContact CZ3-CE2 4.12Å; L468-Y471 HydrophobicContact CD1-CD2 4.47Å; L468-Y471 WeakPolarHBondContact O-CB 3.32Å; L468-Y471 PolarHBondContact O-N 2.89Å; H469-Y471 PolarHBondContact O-N 3.3Å; Y471-H473 PolarHBondContact O-CE1 3.43Å; Y471-H473 VanDerWaalsContact O-CE1 3.25Å; Y471-H473 PolarHBondContact O-ND1 3.47Å
472	F	98.8	Very high	98.3	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	130.8	-167.7	-71.2	-3.8	0	0	0	113.6	I396 L434 Y436 Y457 L468 H469 Y576 P582	I396-F472 HydrophobicContact CD1-CE1 4.43Å; I396-F472 HydrophobicContact CD1-CE2 3.97Å; I396-F472 HydrophobicContact CD1-CZ 3.53Å; I396-F472 HydrophobicContact CG1-CZ 4.4Å; L434-F472 HydrophobicContact CB-CD1 4Å; L434-F472 HydrophobicContact CB-CE1 4.32Å; L434-F472 HydrophobicContact CD1-CD1 4.48Å; L434-F472 HydrophobicContact CD1-CE1 4.22Å; L434-F472 CarbonylContact O-C 3.6Å; L434-F472 WeakPolarHBondContact O-CA 3.33Å; Y436-F472 HydrophobicContact CD1-CE2 4.35Å; Y457-F472 HydrophobicContact CE1-CE2 4.21Å; L468-F472 HydrophobicContact CD1-CE1 4.28Å; L468-F472 HydrophobicContact CD2-CE1 4.1Å; L468-F472 HydrophobicContact CD2-CZ 3.86Å; L468-F472 HydrophobicContact CG-CE1 3.68Å; L468-F472 HydrophobicContact CG-CZ 3.78Å; H469-F472 HydrophobicContact CB-CD2 4.17Å; H469-F472 HydrophobicContact CB-CE2 4.44Å; H469-F472 AromaticContact CD2-CE2 3.71Å; H469-F472 WeakPolarHBondContact O-CB 3.16Å; H469-F472 PolarHBondContact O-N 2.92Å; F472-Y576 HydrophobicContact CB-CD1 4.14Å; F472-Y576 HydrophobicContact CB-CD2 3.83Å; F472-Y576 HydrophobicContact CB-CE1 3.93Å; F472-Y576 HydrophobicContact CB-CE2 3.59Å; F472-Y576 HydrophobicContact CB-CG 4.09Å; F472-Y576 AromaticContact CD2-CE2 3.94Å; F472-Y576 HydrophobicContact CD2-CE2 3.94Å; F472-Y576 HydrophobicContact CG-CE2 4.3Å; F472-Y576 WeakPolarHBondContact O-CB 3.35Å; F472-Y576 VanDerWaalsContact O-CD1 3.3Å; F472-Y576 WeakPolarHBondContact O-CD1 3.41Å; F472-Y576 PolarHBondContact O-N 3.13Å; F472-P582 HydrophobicContact CD2-CB 3.87Å; F472-P582 HydrophobicContact CD2-CG 4.28Å; F472-P582 HydrophobicContact CE2-CB 3.78Å; F472-P582 HydrophobicContact CE2-CG 4.16Å
473	H	98.9	Very high	98.4	Very high	13 Å²	13	38.7 Å²	38.7	6%	0.06	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	144	-179.4	-62.2	66.3	0	0	0	108.7	Y433 L434 I435 Y436 Y471 P573 E574 L575	Y433-H473 AromaticContact CD1-CE1 3.54Å; Y433-H473 AromaticContact CD1-NE2 3.43Å; Y433-H473 WeakPolarHBondContact CD1-NE2 3.38Å; L434-H473 PolarHBondContact O-N 3.36Å; I435-H473 WeakPolarHBondContact CA-O 3.48Å; I435-H473 HydrophobicContact CG1-CB 4.24Å; Y436-H473 PolarHBondContact N-O 2.87Å; Y471-H473 PolarHBondContact O-CE1 3.43Å; Y471-H473 VanDerWaalsContact O-CE1 3.25Å; Y471-H473 PolarHBondContact O-ND1 3.47Å; H473-P573 HydrophobicContact CB-CB 3.77Å; H473-P573 PolarHBondContact CD2-O 2.67Å; H473-E574 CarbonylContact C-O 3.48Å; H473-E574 WeakPolarHBondContact CA-O 3.28Å; H473-E574 VanDerWaalsContact CB-O 3.27Å; H473-E574 WeakPolarHBondContact CB-O 3.48Å; H473-L575 PolarHBondContact CD2-N 2.84Å; H473-L575 VanDerWaalsContact CE1-CD1 3.46Å; H473-L575 WeakPolarHBondContact CE1-CD1 3.21Å
474	K	98.8	Very high	98.4	Very high	41 Å²	41	36.5 Å²	36.5	18%	0.178	19%	0.191	C	C	.	.			trans	-66.2	155.9	-175	-60.9	177.3	-172.2	168.5	0	111.4	E574 Y576 D580	K474-E574 WeakPolarHBondContact CD-OE2 3.42Å; K474-E574 PolarHBondContact N-O 2.66Å; K474-E574 VanDerWaalsContact NZ-CD 3.28Å; K474-E574 IonicContact NZ-OE1 2.63Å; K474-E574 PolarHBondContact NZ-OE1 2.54Å; K474-E574 IonicContact NZ-OE2 3.83Å; K474-E574 PolarHBondContact NZ-OE2 3.29Å; K474-Y576 HydrophobicContact CG-CD1 3.86Å; K474-Y576 HydrophobicContact CG-CE1 4.26Å; K474-D580 WeakPolarHBondContact CE-OD2 3.47Å; K474-D580 IonicContact NZ-OD2 2.66Å
475	W	98.9	Very high	98.4	Very high	4 Å²	4	31.5 Å²	31.5	2%	0.015	17%	0.169	C	C	.	.			trans	-75.2	125.1	162.3	178.4	-108.9	0	0	0	109.7	T288 Q392 I435 P437 N441 A477 R482 A485 P487 Y569	T288-W475 HydrophobicContact CG2-CH2 3.87Å; T288-W475 HydrophobicContact CG2-CZ2 3.86Å; Q392-W475 HydrophobicContact CG-CZ3 4.21Å; I435-W475 HydrophobicContact CG2-CE3 4.14Å; P437-W475 HydrophobicContact CG-CB 4.39Å; N441-W475 PolarHBondContact ND2-O 2.68Å; N441-W475 PolarHBondContact OD1-N 3.19Å; W475-A477 HydrophobicContact CH2-CB 4.18Å; W475-A477 HydrophobicContact CZ2-CB 3.65Å; W475-R482 PolarHBondContact NE1-O 3.3Å; W475-A485 PolarHBondContact NE1-O 3.18Å; W475-P487 HydrophobicContact CB-CG 4.47Å; W475-P487 HydrophobicContact CD2-CB 3.98Å; W475-P487 HydrophobicContact CD2-CG 3.64Å; W475-P487 HydrophobicContact CE3-CB 3.75Å; W475-P487 HydrophobicContact CE3-CG 3.65Å; W475-P487 HydrophobicContact CG-CG 4.01Å; W475-P487 HydrophobicContact CH2-CB 3.91Å; W475-P487 HydrophobicContact CZ2-CB 4.12Å; W475-P487 HydrophobicContact CZ3-CB 3.71Å; W475-P487 HydrophobicContact CZ3-CG 4.16Å; W475-Y569 HydrophobicContact CH2-CD1 4.07Å; W475-Y569 HydrophobicContact CH2-CG 4.43Å; W475-Y569 AromaticContact CZ3-CD1 3.69Å; W475-Y569 HydrophobicContact CZ3-CD1 3.69Å; W475-Y569 AromaticContact CZ3-CG 3.97Å; W475-Y569 HydrophobicContact CZ3-CG 3.97Å
476	S	98.8	Very high	98.5	Very high	42 Å²	42	31.6 Å²	31.6	29%	0.294	17%	0.169	S	C	.	.			trans	-146.7	133.4	170.5	-171.6	0	0	0	0	108.2	Y569 D570	S476-Y569 VanDerWaalsContact O-CB 3.26Å; S476-Y569 WeakPolarHBondContact O-CB 3.47Å; S476-D570 WeakPolarHBondContact CB-OD2 3.44Å; S476-D570 PolarHBondContact O-N 3.48Å; S476-D570 PolarHBondContact OG-OD2 3.45Å
477	A	98.6	Very high	98.5	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.146	C	C	.	.			trans	-149.2	47.9	-176.4	0	0	0	0	0	112.3	W475 T479 S480 G481 R482 S483 D570	W475-A477 HydrophobicContact CH2-CB 4.18Å; W475-A477 HydrophobicContact CZ2-CB 3.65Å; A477-T479 PolarHBondContact O-N 3.38Å; A477-S480 CarbonylContact O-C 3.52Å; A477-S480 PolarHBondContact O-N 2.9Å; A477-S480 VanDerWaalsContact O-N 3.13Å; A477-S480 PolarHBondContact O-OG 3.22Å; A477-G481 PolarHBondContact O-N 2.82Å; A477-R482 HydrophobicContact CB-CB 3.93Å; A477-R482 PolarHBondContact O-N 3.13Å; A477-S483 PolarHBondContact N-OG 3.45Å; A477-D570 WeakPolarHBondContact CA-OD2 3.43Å; A477-D570 PolarHBondContact N-OD2 3.12Å
478	E	98.3	Very high	98.5	Very high	111 Å²	111	25.1 Å²	25.1	52%	0.519	14%	0.139	S	C	.	.	G	3₁₀ helix	trans	-60.6	-32.9	174.9	-67.6	-53.8	125.8	0	0	112.3	S480 G481 S483 D570	E478-S480 PolarHBondContact O-N 2.88Å; E478-S480 VanDerWaalsContact O-N 3.16Å; E478-G481 PolarHBondContact O-N 3.48Å; E478-S483 PolarHBondContact N-OG 2.86Å; E478-S483 VanDerWaalsContact OE1-CB 3.26Å; E478-S483 WeakPolarHBondContact OE1-CB 3.45Å; E478-S483 PolarHBondContact OE1-OG 3.15Å; E478-D570 VanDerWaalsContact N-CG 3.31Å; E478-D570 PolarHBondContact N-OD1 3.24Å; E478-D570 PolarHBondContact N-OD2 3.34Å
479	T	97.3	Very high	98.6	Very high	19 Å²	19	25.1 Å²	25.1	12%	0.117	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-51.7	-34.3	172	-176.3	0	0	0	0	113.2	A477 K553 F554 D570	A477-T479 PolarHBondContact O-N 3.38Å; T479-K553 WeakPolarHBondContact OG1-CA 3.41Å; T479-F554 PolarHBondContact O-N 3.47Å; T479-F554 PolarHBondContact OG1-N 3.45Å; T479-F554 VanDerWaalsContact OG1-N 3.12Å; T479-D570 WeakPolarHBondContact CB-OD1 3.49Å; T479-D570 WeakPolarHBondContact CG2-OD1 3.34Å; T479-D570 PolarHBondContact N-OD1 2.91Å
480	S	97.7	Very high	98.6	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-117.1	5.1	179.6	71.8	0	0	0	0	113.5	Y173 A477 E478 R482 P568	Y173-S480 VanDerWaalsContact CD1-C 3.42Å; Y173-S480 VanDerWaalsContact CD1-O 3.3Å; Y173-S480 WeakPolarHBondContact CD1-O 3.05Å; A477-S480 CarbonylContact O-C 3.52Å; A477-S480 PolarHBondContact O-N 2.9Å; A477-S480 VanDerWaalsContact O-N 3.13Å; A477-S480 PolarHBondContact O-OG 3.22Å; E478-S480 PolarHBondContact O-N 2.88Å; E478-S480 VanDerWaalsContact O-N 3.16Å; S480-R482 VanDerWaalsContact C-N 3.35Å; S480-R482 PolarHBondContact O-NH1 2.9Å; S480-P568 WeakPolarHBondContact CB-O 3.41Å; S480-P568 PolarHBondContact OG-O 2.94Å
481	G	98.4	Very high	98.6	Very high	14 Å²	14	19.3 Å²	19.3	14%	0.144	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.9	31.5	-179.2	0	0	0	0	0	114.6	Y173 A477 E478	Y173-G481 VanDerWaalsContact CE1-CA 3.44Å; A477-G481 PolarHBondContact O-N 2.82Å; E478-G481 PolarHBondContact O-N 3.48Å
482	R	98.8	Very high	98.7	Very high	1 Å²	1	17.4 Å²	17.4	0%	0.004	9%	0.094	C	C	.	.			trans	-121.7	14.7	-167.9	-80.6	174.1	175.2	69.1	-1.9	115	T164 V166 Y173 T288 W475 A477 S480 N484 A485	T164-R482 PolarHBondContact O-NH2 2.69Å; V166-R482 HydrophobicContact CG2-CG 4.36Å; Y173-R482 PolarHBondContact O-NH1 2.68Å; Y173-R482 PolarHBondContact O-NH2 2.78Å; T288-R482 WeakPolarHBondContact OG1-CB 3.12Å; T288-R482 WeakPolarHBondContact OG1-CD 3.36Å; W475-R482 PolarHBondContact NE1-O 3.3Å; A477-R482 HydrophobicContact CB-CB 3.93Å; A477-R482 PolarHBondContact O-N 3.13Å; S480-R482 VanDerWaalsContact C-N 3.35Å; S480-R482 PolarHBondContact O-NH1 2.9Å; R482-N484 PolarHBondContact O-N 2.81Å; R482-N484 VanDerWaalsContact O-N 3.14Å; R482-A485 HydrophobicContact CB-CB 4.06Å; R482-A485 HydrophobicContact CG-CB 4.06Å; R482-A485 PolarHBondContact O-N 2.83Å
483	S	98.8	Very high	98.7	Very high	16 Å²	16	17.4 Å²	17.4	11%	0.112	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-32.4	178.6	-52.7	0	0	0	0	113.5	A477 E478 M486	A477-S483 PolarHBondContact N-OG 3.45Å; E478-S483 PolarHBondContact N-OG 2.86Å; E478-S483 VanDerWaalsContact OE1-CB 3.26Å; E478-S483 WeakPolarHBondContact OE1-CB 3.45Å; E478-S483 PolarHBondContact OE1-OG 3.15Å; S483-M486 VanDerWaalsContact O-CE 3.32Å; S483-M486 WeakPolarHBondContact O-CE 3.36Å
484	N	98.8	Very high	98.6	Very high	78 Å²	78	16.9 Å²	16.9	42%	0.417	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-4.7	174.8	-52	90	0	0	0	113.6	T444 S445 L446 R482	T444-N484 PolarHBondContact O-ND2 3.46Å; S445-N484 CarbonylContact C-O 3.5Å; S445-N484 VanDerWaalsContact CA-O 3.25Å; S445-N484 WeakPolarHBondContact CA-O 3.46Å; S445-N484 VanDerWaalsContact CB-O 3.29Å; S445-N484 WeakPolarHBondContact CB-O 3.39Å; L446-N484 HydrophobicContact CD2-CB 4.38Å; L446-N484 HydrophobicContact CG-CB 3.98Å; L446-N484 PolarHBondContact N-O 2.79Å; R482-N484 PolarHBondContact O-N 2.81Å; R482-N484 VanDerWaalsContact O-N 3.14Å
485	A	98.9	Very high	98.6	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.083	C	C	.	.	S	Bend	trans	-97	96.9	178.5	0	0	0	0	0	109.5	V166 Q286 T288 L446 W475 R482	V166-A485 HydrophobicContact CG1-CB 3.95Å; V166-A485 HydrophobicContact CG2-CB 4.32Å; Q286-A485 VanDerWaalsContact O-CA 3.25Å; Q286-A485 WeakPolarHBondContact O-CA 3.18Å; Q286-A485 VanDerWaalsContact O-CB 3.29Å; Q286-A485 WeakPolarHBondContact O-CB 3.47Å; T288-A485 PolarHBondContact OG1-O 2.57Å; L446-A485 HydrophobicContact CD1-CB 4.05Å; W475-A485 PolarHBondContact NE1-O 3.18Å; R482-A485 HydrophobicContact CB-CB 4.06Å; R482-A485 HydrophobicContact CG-CB 4.06Å; R482-A485 PolarHBondContact O-N 2.83Å
486	M	98.9	Very high	98.5	Very high	3 Å²	3	14.8 Å²	14.8	2%	0.015	8%	0.083	C	C	.	.			trans	-59.6	142.1	-165.7	-74.1	-59.7	101.3	0	0	113.4	K287 T288 P437 N441 V442 A451 S483 H488	K287-M486 CarbonylContact C-O 3.59Å; K287-M486 WeakPolarHBondContact CA-O 3.46Å; K287-M486 WeakPolarHBondContact CB-O 3.46Å; T288-M486 PolarHBondContact N-O 2.84Å; P437-M486 HydrophobicContact CB-SD 3.91Å; P437-M486 HydrophobicContact CG-SD 4.08Å; N441-M486 HydrophobicContact CB-CE 4.09Å; N441-M486 HydrophobicContact CB-SD 4.06Å; N441-M486 WeakPolarHBondContact O-CE 3.02Å; V442-M486 HydrophobicContact CG2-SD 4.12Å; A451-M486 HydrophobicContact CB-CB 3.97Å; A451-M486 HydrophobicContact CB-CG 3.65Å; S483-M486 VanDerWaalsContact O-CE 3.32Å; S483-M486 WeakPolarHBondContact O-CE 3.36Å; M486-H488 PolarHBondContact O-N 2.92Å
487	P	98.8	Very high	98.4	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.006	9%	0.091	C	C	.	.	B	Isolated β-bridge	trans	-78	116.4	-173.8	31.4	-35.4	0	0	0	111.7	S394 P437 W475 I489	S394-P487 WeakPolarHBondContact CB-O 3.4Å; P437-P487 HydrophobicContact CG-CG 3.58Å; W475-P487 HydrophobicContact CB-CG 4.47Å; W475-P487 HydrophobicContact CD2-CB 3.98Å; W475-P487 HydrophobicContact CD2-CG 3.64Å; W475-P487 HydrophobicContact CE3-CB 3.75Å; W475-P487 HydrophobicContact CE3-CG 3.65Å; W475-P487 HydrophobicContact CG-CG 4.01Å; W475-P487 HydrophobicContact CH2-CB 3.91Å; W475-P487 HydrophobicContact CZ2-CB 4.12Å; W475-P487 HydrophobicContact CZ3-CB 3.71Å; W475-P487 HydrophobicContact CZ3-CG 4.16Å; P487-I489 HydrophobicContact CB-CG2 4.18Å
488	H	98.8	Very high	98.4	Very high	17 Å²	17	21.1 Å²	21.1	8%	0.079	12%	0.118	C	C	.	.			trans	-109	-3.5	160.9	-173.7	-94.9	0	0	0	111.9	T276 N278 D283 K287 T288 Q289 S394 M486 K490	T276-H488 PolarHBondContact O-CE1 2.76Å; T276-H488 PolarHBondContact O-ND1 3.18Å; N278-H488 PolarHBondContact ND2-CE1 3.27Å; D283-H488 IonicContact OD2-CE1 2.68Å; D283-H488 PolarHBondContact OD2-CE1 3.2Å; D283-H488 IonicContact OD2-CG 2.72Å; D283-H488 IonicContact OD2-ND1 2.67Å; D283-H488 PolarHBondContact OD2-ND1 3.03Å; K287-H488 HydrophobicContact CB-CB 4.44Å; K287-H488 HydrophobicContact CD-CB 4.09Å; T288-H488 PolarHBondContact O-N 3.16Å; Q289-H488 PolarHBondContact NE2-ND1 3.1Å; Q289-H488 PolarHBondContact OE1-ND1 3.31Å; Q289-H488 PolarHBondContact OE1-O 2.89Å; S394-H488 PolarHBondContact OG-CD2 2.86Å; M486-H488 PolarHBondContact O-N 2.92Å; H488-K490 PolarHBondContact CD2-NZ 3.37Å; H488-K490 PolarHBondContact CE1-NZ 2.7Å; H488-K490 VanDerWaalsContact CE1-NZ 3.26Å; H488-K490 PolarHBondContact NE2-NZ 2.77Å; H488-K490 WeakPolarHBondContact O-CD 3.45Å; H488-K490 WeakPolarHBondContact O-CE 3.46Å; H488-K490 PolarHBondContact O-NZ 2.93Å
489	I	98.8	Very high	98.4	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.098	C	C	.	.			trans	-58.3	151.1	155.9	-163.8	178.4	0	0	0	111.5	F161 L163 T276 T288 Q392 P487 T491 V507 P568	F161-I489 HydrophobicContact CE2-CD1 4.28Å; F161-I489 HydrophobicContact CZ-CD1 3.86Å; L163-I489 HydrophobicContact CD2-CD1 4.27Å; T276-I489 HydrophobicContact CG2-CB 4.42Å; T276-I489 HydrophobicContact CG2-CG1 3.95Å; T276-I489 WeakPolarHBondContact OG1-CA 3.23Å; T288-I489 HydrophobicContact CG2-CG2 4.02Å; T288-I489 PolarHBondContact O-N 3.21Å; Q392-I489 PolarHBondContact NE2-O 2.69Å; Q392-I489 PolarHBondContact OE1-O 3.06Å; P487-I489 HydrophobicContact CB-CG2 4.18Å; I489-T491 HydrophobicContact CD1-CG2 3.58Å; I489-T491 HydrophobicContact CG1-CG2 3.8Å; I489-V507 HydrophobicContact CD1-CG2 4.12Å; I489-V507 HydrophobicContact CG1-CG2 3.98Å; I489-P568 HydrophobicContact CD1-CG 4.3Å
490	K	98.9	Very high	98.3	Very high	5 Å²	5	18.2 Å²	18.2	2%	0.022	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	130.7	166.4	-55.4	80.1	-179.1	159.1	0	107.8	Q392 F393 S394 H488 T508 S509 N511	Q392-K490 CarbonylContact O-C 3.59Å; Q392-K490 VanDerWaalsContact O-CA 3.29Å; Q392-K490 WeakPolarHBondContact O-CA 3.34Å; F393-K490 HydrophobicContact CB-CG 4.14Å; S394-K490 WeakPolarHBondContact OG-CE 3.44Å; S394-K490 PolarHBondContact OG-NZ 3.31Å; H488-K490 PolarHBondContact CD2-NZ 3.37Å; H488-K490 PolarHBondContact CE1-NZ 2.7Å; H488-K490 VanDerWaalsContact CE1-NZ 3.26Å; H488-K490 PolarHBondContact NE2-NZ 2.77Å; H488-K490 WeakPolarHBondContact O-CD 3.45Å; H488-K490 WeakPolarHBondContact O-CE 3.46Å; H488-K490 PolarHBondContact O-NZ 2.93Å; K490-T508 HydrophobicContact CB-CG2 4.33Å; K490-T508 WeakPolarHBondContact CB-O 3.21Å; K490-T508 PolarHBondContact O-N 3.42Å; K490-T508 VanDerWaalsContact O-N 3.13Å; K490-S509 WeakPolarHBondContact CD-O 3.3Å; K490-N511 VanDerWaalsContact CE-CG 3.46Å; K490-N511 VanDerWaalsContact CE-ND2 3.3Å; K490-N511 WeakPolarHBondContact CE-ND2 3.26Å; K490-N511 WeakPolarHBondContact CE-OD1 3.41Å; K490-N511 VanDerWaalsContact CG-OD1 3.32Å; K490-N511 WeakPolarHBondContact CG-OD1 3.33Å
491	T	98.9	Very high	98.3	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	152.9	-179.1	63.3	0	0	0	0	111.8	Q392 I489 F505 L506 V507 Y569	Q392-T491 PolarHBondContact N-O 2.82Å; Q392-T491 PolarHBondContact O-N 2.85Å; Q392-T491 PolarHBondContact OE1-OG1 3.07Å; I489-T491 HydrophobicContact CD1-CG2 3.58Å; I489-T491 HydrophobicContact CG1-CG2 3.8Å; T491-F505 HydrophobicContact CG2-CE1 4.12Å; T491-F505 HydrophobicContact CG2-CE2 4.48Å; T491-F505 HydrophobicContact CG2-CZ 3.65Å; T491-L506 CarbonylContact C-O 3.45Å; T491-L506 WeakPolarHBondContact CA-O 3.44Å; T491-L506 WeakPolarHBondContact CB-O 3.45Å; T491-V507 HydrophobicContact CG2-CB 4.49Å; T491-V507 HydrophobicContact CG2-CG2 4.42Å; T491-Y569 HydrophobicContact CG2-CE1 4.38Å; T491-Y569 WeakPolarHBondContact OG1-CE1 3.48Å; T491-Y569 PolarHBondContact OG1-OH 3.13Å
492	Y	98.9	Very high	98.2	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	141.2	173.1	-60.4	-88.1	0	0	0	108.6	V390 G391 F411 M415 W504 F505 L506 T508 A510 W517	V390-Y492 WeakPolarHBondContact O-CA 3.17Å; G391-Y492 VanDerWaalsContact CA-CD1 3.45Å; F411-Y492 HydrophobicContact CZ-CD1 4.18Å; F411-Y492 AromaticContact CZ-CE1 3.68Å; F411-Y492 HydrophobicContact CZ-CE1 3.68Å; M415-Y492 HydrophobicContact CE-CD1 3.84Å; M415-Y492 HydrophobicContact CE-CE1 4.39Å; M415-Y492 HydrophobicContact CE-CG 3.93Å; M415-Y492 HydrophobicContact SD-CD1 4.33Å; M415-Y492 HydrophobicContact SD-CG 4.43Å; Y492-W504 WeakPolarHBondContact O-CZ3 3.23Å; Y492-F505 CarbonylContact O-C 3.54Å; Y492-L506 HydrophobicContact CD2-CD2 4.17Å; Y492-L506 PolarHBondContact N-O 3.25Å; Y492-L506 PolarHBondContact O-N 3.03Å; Y492-T508 HydrophobicContact CD2-CG2 4.03Å; Y492-T508 HydrophobicContact CE2-CG2 3.91Å; Y492-A510 PolarHBondContact OH-O 3.36Å; Y492-W517 AromaticContact CD2-CZ2 3.7Å; Y492-W517 HydrophobicContact CD2-CZ2 3.7Å; Y492-W517 AromaticContact CE2-CE2 4Å; Y492-W517 AromaticContact CE2-CZ2 3.55Å; Y492-W517 HydrophobicContact CE2-CZ2 3.55Å; Y492-W517 AromaticContact CE2-NE1 3.85Å; Y492-W517 HydrophobicContact CG-CZ2 4.37Å; Y492-W517 AromaticContact CZ-NE1 3.69Å; Y492-W517 PolarHBondContact OH-NE1 2.85Å
493	M	98.8	Very high	98.2	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	168.7	179.9	63.5	-176.5	-175.6	0	0	112.5	V390 P495 I502 W504 F505 V567 Y569 L571	V390-M493 HydrophobicContact CB-CE 4Å; V390-M493 HydrophobicContact CB-CG 3.98Å; V390-M493 HydrophobicContact CG1-CE 3.99Å; V390-M493 HydrophobicContact CG2-CE 4.18Å; V390-M493 PolarHBondContact N-O 2.99Å; V390-M493 PolarHBondContact O-N 3.12Å; M493-P495 HydrophobicContact CE-CG 4.15Å; M493-P495 HydrophobicContact CG-CG 4.31Å; M493-I502 HydrophobicContact SD-CG2 4.06Å; M493-W504 WeakPolarHBondContact CA-O 3.35Å; M493-W504 VanDerWaalsContact CB-O 3.31Å; M493-W504 WeakPolarHBondContact CB-O 3.26Å; M493-F505 HydrophobicContact CB-CD2 3.84Å; M493-F505 HydrophobicContact CG-CD2 4.38Å; M493-F505 HydrophobicContact SD-CD2 3.78Å; M493-F505 HydrophobicContact SD-CE2 3.87Å; M493-V567 HydrophobicContact CE-CG1 4Å; M493-V567 HydrophobicContact SD-CG1 4.09Å; M493-V567 HydrophobicContact SD-CG2 4.25Å; M493-Y569 HydrophobicContact CE-CE2 3.55Å; M493-Y569 WeakPolarHBondContact CE-OH 3.36Å; M493-L571 HydrophobicContact CE-CD1 3.69Å; M493-L571 HydrophobicContact CE-CD2 3.57Å; M493-L571 HydrophobicContact CE-CG 4.14Å
494	R	97.9	Very high	98.1	Very high	2 Å²	2	20.7 Å²	20.7	1%	0.008	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	85.5	-178.7	-167.1	84.5	-166.7	-87.2	1.9	111.6	A384 W387 P388 L416 I502 A503 W504	A384-R494 PolarHBondContact O-NH2 3.01Å; W387-R494 HydrophobicContact CB-CG 4.5Å; W387-R494 VanDerWaalsContact O-CZ 3.25Å; W387-R494 PolarHBondContact O-NE 2.98Å; W387-R494 PolarHBondContact O-NH2 3.48Å; P388-R494 WeakPolarHBondContact O-CA 3.2Å; P388-R494 WeakPolarHBondContact O-CD 3.26Å; P388-R494 PolarHBondContact O-NE 3.39Å; L416-R494 VanDerWaalsContact CA-NH1 3.34Å; L416-R494 PolarHBondContact O-NH1 2.77Å; R494-I502 CarbonylContact O-C 3.57Å; R494-I502 WeakPolarHBondContact O-CA 3.39Å; R494-A503 HydrophobicContact CB-CB 4.17Å; R494-A503 HydrophobicContact CG-CB 4.3Å; R494-A503 PolarHBondContact O-N 3.48Å; R494-W504 HydrophobicContact CB-CD2 4.19Å; R494-W504 HydrophobicContact CB-CG 4.27Å; R494-W504 HydrophobicContact CB-CZ2 3.98Å; R494-W504 PolarHBondContact N-O 2.97Å
495	P	98.2	Very high	98.2	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	161.1	178.9	-18.8	32	0	0	0	113.8	W387 P388 V390 M493 F499 K501 I502	W387-P495 WeakPolarHBondContact CA-O 3.36Å; W387-P495 WeakPolarHBondContact CB-O 3.43Å; W387-P495 VanDerWaalsContact CE3-C 3.41Å; P388-P495 VanDerWaalsContact CD-O 3.28Å; P388-P495 WeakPolarHBondContact CD-O 3.36Å; P388-P495 HydrophobicContact CG-CB 4.1Å; P388-P495 HydrophobicContact CG-CG 4.3Å; P388-P495 WeakPolarHBondContact O-CD 3.35Å; V390-P495 HydrophobicContact CB-CG 4.48Å; V390-P495 HydrophobicContact CG2-CG 3.65Å; M493-P495 HydrophobicContact CE-CG 4.15Å; M493-P495 HydrophobicContact CG-CG 4.31Å; P495-F499 HydrophobicContact CB-CD1 3.61Å; P495-F499 HydrophobicContact CB-CE1 4.17Å; P495-F499 HydrophobicContact CB-CG 4.26Å; P495-F499 HydrophobicContact CG-CD1 3.87Å; P495-F499 HydrophobicContact CG-CE1 4.16Å; P495-K501 CarbonylContact C-O 3.48Å; P495-K501 VanDerWaalsContact CA-O 3.27Å; P495-K501 WeakPolarHBondContact CA-O 3.37Å; P495-I502 HydrophobicContact CB-CG2 4.29Å; P495-I502 HydrophobicContact CG-CG2 4.3Å
496	S	97.4	Very high	98.2	Very high	2 Å²	2	17 Å²	17	1%	0.014	9%	0.093	C	C	.	.			trans	-69.9	164	160.7	56.4	0	0	0	0	111.3	D498 F499 S500 K501	S496-D498 WeakPolarHBondContact CB-OD1 3.5Å; S496-D498 PolarHBondContact O-N 3.13Å; S496-D498 PolarHBondContact OG-OD1 3.08Å; S496-F499 WeakPolarHBondContact O-CA 3.47Å; S496-F499 PolarHBondContact O-N 3.25Å; S496-S500 PolarHBondContact OG-N 2.89Å; S496-K501 PolarHBondContact N-O 3.05Å; S496-K501 PolarHBondContact OG-N 2.87Å; S496-K501 PolarHBondContact OG-O 3.06Å
497	P	97	Very high	98.2	Very high	70 Å²	70	17 Å²	17	46%	0.455	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-25	-177.5	-21.3	32.7	0	0	0	114.2	S386	S386-P497 VanDerWaalsContact OG-CG 3.26Å; S386-P497 WeakPolarHBondContact OG-CG 3.4Å
498	D	97.4	Very high	98.2	Very high	105 Å²	105	17.1 Å²	17.1	56%	0.561	9%	0.094	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.3	2.1	174.6	68.4	-27.6	0	0	0	113	S496 S500	S496-D498 WeakPolarHBondContact CB-OD1 3.5Å; S496-D498 PolarHBondContact O-N 3.13Å; S496-D498 PolarHBondContact OG-OD1 3.08Å; D498-S500 PolarHBondContact O-N 3.04Å; D498-S500 PolarHBondContact OD1-N 3.05Å; D498-S500 PolarHBondContact OD1-OG 3.42Å; D498-S500 WeakPolarHBondContact OD2-CB 3.28Å; D498-S500 PolarHBondContact OD2-OG 3.15Å
499	F	98	Very high	98.2	Very high	25 Å²	25	16.5 Å²	16.5	11%	0.11	9%	0.092	C	C	.	.	S	Bend	trans	55.9	10.9	-176.6	-57.4	-101.4	0	0	0	115.9	P388 V390 Y433 P495 S496 K501 V550 L571 P572	P388-F499 HydrophobicContact CG-CE1 4.11Å; P388-F499 HydrophobicContact CG-CZ 4.15Å; V390-F499 HydrophobicContact CG2-CE1 4.41Å; Y433-F499 HydrophobicContact CD2-CE1 4.23Å; Y433-F499 HydrophobicContact CD2-CZ 4.09Å; Y433-F499 HydrophobicContact CE2-CE1 4.13Å; Y433-F499 AromaticContact CE2-CZ 3.58Å; Y433-F499 HydrophobicContact CE2-CZ 3.58Å; P495-F499 HydrophobicContact CB-CD1 3.61Å; P495-F499 HydrophobicContact CB-CE1 4.17Å; P495-F499 HydrophobicContact CB-CG 4.26Å; P495-F499 HydrophobicContact CG-CD1 3.87Å; P495-F499 HydrophobicContact CG-CE1 4.16Å; S496-F499 WeakPolarHBondContact O-CA 3.47Å; S496-F499 PolarHBondContact O-N 3.25Å; F499-K501 PolarHBondContact O-N 2.99Å; F499-V550 WeakPolarHBondContact O-CG2 3.39Å; F499-L571 HydrophobicContact CB-CB 3.9Å; F499-L571 HydrophobicContact CB-CD1 4.28Å; F499-L571 HydrophobicContact CD1-CB 4.02Å; F499-L571 HydrophobicContact CD1-CD1 4.21Å; F499-L571 HydrophobicContact CD1-CD2 3.95Å; F499-L571 HydrophobicContact CD1-CG 4.29Å; F499-L571 HydrophobicContact CE1-CD2 4.37Å; F499-L571 HydrophobicContact CG-CB 4.21Å; F499-P572 HydrophobicContact CD2-CB 3.85Å; F499-P572 HydrophobicContact CE1-CB 4.32Å; F499-P572 HydrophobicContact CE2-CB 3.59Å; F499-P572 HydrophobicContact CG-CB 4.33Å; F499-P572 HydrophobicContact CZ-CB 3.81Å
500	S	96.8	Very high	98.2	Very high	44 Å²	44	16.6 Å²	16.6	31%	0.308	9%	0.092	S	C	.	.	S	Bend	trans	-73.7	-15.2	178.7	71.7	0	0	0	0	113.8	S496 D498 V550	S496-S500 PolarHBondContact OG-N 2.89Å; D498-S500 PolarHBondContact O-N 3.04Å; D498-S500 PolarHBondContact OD1-N 3.05Å; D498-S500 PolarHBondContact OD1-OG 3.42Å; D498-S500 WeakPolarHBondContact OD2-CB 3.28Å; D498-S500 PolarHBondContact OD2-OG 3.15Å; S500-V550 PolarHBondContact O-N 3.22Å
501	K	96.9	Very high	98.2	Very high	79 Å²	79	17.1 Å²	17.1	34%	0.343	10%	0.095	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	161.8	-177.8	-65.4	160.9	173	177.6	0	111.2	W387 P495 S496 F499 N547 F548	W387-K501 HydrophobicContact CH2-CB 4.23Å; P495-K501 CarbonylContact C-O 3.48Å; P495-K501 VanDerWaalsContact CA-O 3.27Å; P495-K501 WeakPolarHBondContact CA-O 3.37Å; S496-K501 PolarHBondContact N-O 3.05Å; S496-K501 PolarHBondContact OG-N 2.87Å; S496-K501 PolarHBondContact OG-O 3.06Å; F499-K501 PolarHBondContact O-N 2.99Å; K501-N547 WeakPolarHBondContact CD-OD1 3.48Å; K501-N547 WeakPolarHBondContact CE-OD1 3.27Å; K501-N547 WeakPolarHBondContact CG-OD1 3.39Å; K501-F548 CarbonylContact C-O 3.56Å; K501-F548 WeakPolarHBondContact CA-O 3.11Å; K501-F548 WeakPolarHBondContact CB-O 3.32Å
502	I	97.3	Very high	98.2	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	140.1	167.1	56.7	179.1	0	0	0	110.4	M493 R494 P495 F505 F548 V550 F565 V567	M493-I502 HydrophobicContact SD-CG2 4.06Å; R494-I502 CarbonylContact O-C 3.57Å; R494-I502 WeakPolarHBondContact O-CA 3.39Å; P495-I502 HydrophobicContact CB-CG2 4.29Å; P495-I502 HydrophobicContact CG-CG2 4.3Å; I502-F505 HydrophobicContact CD1-CB 3.94Å; I502-F505 HydrophobicContact CD1-CD2 4.1Å; I502-F505 HydrophobicContact CD1-CG 4.45Å; I502-F548 HydrophobicContact CD1-CB 4.49Å; I502-F548 HydrophobicContact CD1-CD2 4.27Å; I502-F548 HydrophobicContact CG1-CB 3.89Å; I502-F548 HydrophobicContact CG1-CD2 4.08Å; I502-F548 PolarHBondContact N-O 2.79Å; I502-F548 PolarHBondContact O-N 3.09Å; I502-V550 HydrophobicContact CG2-CG2 3.92Å; I502-F565 HydrophobicContact CD1-CB 3.92Å; I502-F565 HydrophobicContact CD1-CD1 3.83Å; I502-F565 HydrophobicContact CD1-CG 3.92Å; I502-V567 HydrophobicContact CD1-CG2 4.16Å
503	A	97.3	Very high	98.2	Very high	4 Å²	4	18 Å²	18	3%	0.033	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	-23.7	177.2	0	0	0	0	0	112.9	I381 W387 L418 R494 P540	I381-A503 HydrophobicContact CD1-CB 3.42Å; I381-A503 VanDerWaalsContact CD1-CB 3.42Å; W387-A503 HydrophobicContact CE3-CB 4.08Å; W387-A503 HydrophobicContact CZ3-CB 3.93Å; L418-A503 HydrophobicContact CD2-CB 4.36Å; R494-A503 HydrophobicContact CB-CB 4.17Å; R494-A503 HydrophobicContact CG-CB 4.3Å; R494-A503 PolarHBondContact O-N 3.48Å; A503-P540 WeakPolarHBondContact O-CD 3.24Å; A503-P540 VanDerWaalsContact O-CG 3.27Å; A503-P540 WeakPolarHBondContact O-CG 3.44Å
504	W	98.4	Very high	98.1	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.6	160.4	174	55.3	-98.5	0	0	0	110.3	L370 L374 M415 Y492 M493 R494 L506 L537 F538 L539	L370-W504 HydrophobicContact CD2-CH2 4.42Å; L374-W504 HydrophobicContact CD1-CZ2 4.21Å; L374-W504 HydrophobicContact CD2-CB 4.32Å; L374-W504 HydrophobicContact CD2-CD2 4.06Å; L374-W504 HydrophobicContact CD2-CG 3.7Å; M415-W504 WeakPolarHBondContact O-CZ2 3.49Å; M415-W504 HydrophobicContact SD-CH2 3.55Å; M415-W504 VanDerWaalsContact SD-CH2 3.55Å; M415-W504 HydrophobicContact SD-CZ2 4.19Å; M415-W504 HydrophobicContact SD-CZ3 4.48Å; Y492-W504 WeakPolarHBondContact O-CZ3 3.23Å; M493-W504 WeakPolarHBondContact CA-O 3.35Å; M493-W504 VanDerWaalsContact CB-O 3.31Å; M493-W504 WeakPolarHBondContact CB-O 3.26Å; R494-W504 HydrophobicContact CB-CD2 4.19Å; R494-W504 HydrophobicContact CB-CG 4.27Å; R494-W504 HydrophobicContact CB-CZ2 3.98Å; R494-W504 PolarHBondContact N-O 2.97Å; W504-L506 HydrophobicContact CE3-CB 4.49Å; W504-L506 HydrophobicContact CZ3-CB 4.22Å; W504-L537 HydrophobicContact CB-CD1 4.27Å; W504-L537 HydrophobicContact CD2-CD1 4.27Å; W504-L537 HydrophobicContact CE3-CD1 3.71Å; W504-L537 HydrophobicContact CZ3-CD1 4.46Å; W504-F538 WeakPolarHBondContact CA-O 3.49Å; W504-L539 HydrophobicContact CB-CD2 3.64Å; W504-L539 HydrophobicContact CG-CD2 4.48Å
505	F	98.9	Very high	98.2	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	142.3	174.1	-169.6	-91.1	0	0	0	110.5	F161 T491 Y492 M493 I502 V507 F538 F565	F161-F505 HydrophobicContact CE1-CE1 4.14Å; F161-F505 HydrophobicContact CE1-CZ 4.2Å; F161-F505 HydrophobicContact CZ-CE1 4.21Å; F161-F505 HydrophobicContact CZ-CZ 4.36Å; T491-F505 HydrophobicContact CG2-CE1 4.12Å; T491-F505 HydrophobicContact CG2-CE2 4.48Å; T491-F505 HydrophobicContact CG2-CZ 3.65Å; Y492-F505 CarbonylContact O-C 3.54Å; M493-F505 HydrophobicContact CB-CD2 3.84Å; M493-F505 HydrophobicContact CG-CD2 4.38Å; M493-F505 HydrophobicContact SD-CD2 3.78Å; M493-F505 HydrophobicContact SD-CE2 3.87Å; I502-F505 HydrophobicContact CD1-CB 3.94Å; I502-F505 HydrophobicContact CD1-CD2 4.1Å; I502-F505 HydrophobicContact CD1-CG 4.45Å; F505-V507 HydrophobicContact CE1-CB 4.28Å; F505-F538 HydrophobicContact CB-CB 4.37Å; F505-F538 HydrophobicContact CB-CD2 4.38Å; F505-F538 AromaticContact CD1-CD2 3.97Å; F505-F538 HydrophobicContact CD1-CD2 3.97Å; F505-F538 HydrophobicContact CD1-CE2 4.32Å; F505-F538 PolarHBondContact N-O 3.06Å; F505-F538 VanDerWaalsContact N-O 3.15Å; F505-F538 PolarHBondContact O-N 3.4Å; F505-F565 HydrophobicContact CB-CD1 4.38Å; F505-F565 HydrophobicContact CB-CE1 3.95Å; F505-F565 HydrophobicContact CB-CE2 4.32Å; F505-F565 HydrophobicContact CB-CZ 3.92Å; F505-F565 AromaticContact CD1-CE1 3.43Å; F505-F565 HydrophobicContact CD1-CE1 3.43Å; F505-F565 VanDerWaalsContact CD1-CE1 3.43Å; F505-F565 HydrophobicContact CD1-CE2 4.38Å; F505-F565 AromaticContact CD1-CZ 3.33Å; F505-F565 HydrophobicContact CD1-CZ 3.33Å; F505-F565 HydrophobicContact CD2-CD1 4.12Å; F505-F565 AromaticContact CD2-CE1 3.63Å; F505-F565 HydrophobicContact CD2-CE1 3.63Å; F505-F565 HydrophobicContact CD2-CZ 4.33Å; F505-F565 AromaticContact CE1-CE1 3.67Å; F505-F565 HydrophobicContact CE1-CE1 3.67Å; F505-F565 AromaticContact CE1-CZ 3.81Å; F505-F565 HydrophobicContact CE1-CZ 3.81Å; F505-F565 AromaticContact CE2-CE1 3.88Å; F505-F565 HydrophobicContact CE2-CE1 3.88Å; F505-F565 HydrophobicContact CG-CD1 4.12Å; F505-F565 AromaticContact CG-CE1 3.39Å; F505-F565 HydrophobicContact CG-CE1 3.39Å; F505-F565 HydrophobicContact CG-CE2 4.48Å; F505-F565 AromaticContact CG-CZ 3.62Å; F505-F565 HydrophobicContact CG-CZ 3.62Å; F505-F565 AromaticContact CZ-CE1 3.88Å; F505-F565 HydrophobicContact CZ-CE1 3.88Å; F505-F565 HydrophobicContact CZ-CZ 4.48Å
506	L	98.9	Very high	98.2	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	133.2	175.6	170.2	63.2	0	0	0	109.2	I350 T491 Y492 W504 T508 W517 V536 L537	I350-L506 HydrophobicContact CD1-CD1 4.21Å; I350-L506 HydrophobicContact CD1-CD2 4.29Å; T491-L506 CarbonylContact C-O 3.45Å; T491-L506 WeakPolarHBondContact CA-O 3.44Å; T491-L506 WeakPolarHBondContact CB-O 3.45Å; Y492-L506 HydrophobicContact CD2-CD2 4.17Å; Y492-L506 PolarHBondContact N-O 3.25Å; Y492-L506 PolarHBondContact O-N 3.03Å; W504-L506 HydrophobicContact CE3-CB 4.49Å; W504-L506 HydrophobicContact CZ3-CB 4.22Å; L506-T508 HydrophobicContact CD2-CG2 4.32Å; L506-T508 HydrophobicContact CG-CG2 4.25Å; L506-W517 HydrophobicContact CD2-CH2 3.56Å; L506-W517 HydrophobicContact CD2-CZ2 4.06Å; L506-V536 WeakPolarHBondContact CA-O 3.38Å; L506-V536 VanDerWaalsContact CD1-O 3.27Å; L506-V536 WeakPolarHBondContact CD1-O 3.31Å; L506-L537 HydrophobicContact CB-CD1 4.07Å; L506-L537 HydrophobicContact CD1-CB 4.47Å
507	V	98.9	Very high	98.3	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.012	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	136.5	162.4	62.4	0	0	0	0	109.4	F161 T276 I489 T491 F505 G535 V536 F538	F161-V507 HydrophobicContact CD2-CG1 4.2Å; F161-V507 HydrophobicContact CE2-CB 4.16Å; F161-V507 HydrophobicContact CE2-CG1 4.16Å; F161-V507 HydrophobicContact CE2-CG2 4.08Å; T276-V507 HydrophobicContact CG2-CG2 3.92Å; I489-V507 HydrophobicContact CD1-CG2 4.12Å; I489-V507 HydrophobicContact CG1-CG2 3.98Å; T491-V507 HydrophobicContact CG2-CB 4.49Å; T491-V507 HydrophobicContact CG2-CG2 4.42Å; F505-V507 HydrophobicContact CE1-CB 4.28Å; V507-G535 CarbonylContact O-C 3.56Å; V507-G535 WeakPolarHBondContact O-CA 3.35Å; V507-V536 HydrophobicContact CG1-CG2 3.76Å; V507-V536 PolarHBondContact N-O 2.67Å; V507-V536 PolarHBondContact O-N 3.36Å; V507-F538 HydrophobicContact CG1-CE2 4.33Å
508	T	98.9	Very high	98.3	Very high	4 Å²	4	18.5 Å²	18.5	3%	0.025	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	165.1	-169.9	-177.2	0	0	0	0	112.7	T276 K490 Y492 L506 A510 W517 L534	T276-T508 WeakPolarHBondContact CG2-O 3.35Å; K490-T508 HydrophobicContact CB-CG2 4.33Å; K490-T508 WeakPolarHBondContact CB-O 3.21Å; K490-T508 PolarHBondContact O-N 3.42Å; K490-T508 VanDerWaalsContact O-N 3.13Å; Y492-T508 HydrophobicContact CD2-CG2 4.03Å; Y492-T508 HydrophobicContact CE2-CG2 3.91Å; L506-T508 HydrophobicContact CD2-CG2 4.32Å; L506-T508 HydrophobicContact CG-CG2 4.25Å; T508-A510 VanDerWaalsContact C-N 3.33Å; T508-A510 HydrophobicContact CG2-CB 3.9Å; T508-A510 WeakPolarHBondContact OG1-CB 3.38Å; T508-A510 PolarHBondContact OG1-N 2.91Å; T508-A510 VanDerWaalsContact OG1-N 3.09Å; T508-W517 HydrophobicContact CG2-CZ2 4.49Å; T508-L534 CarbonylContact C-O 3.44Å; T508-L534 VanDerWaalsContact CA-O 3.31Å; T508-L534 WeakPolarHBondContact CA-O 3.37Å; T508-L534 PolarHBondContact OG1-O 2.8Å
509	S	98.9	Very high	98.4	Very high	5 Å²	5	14.1 Å²	14.1	4%	0.035	8%	0.078	C	C	.	.	S	Bend	trans	-73.4	-23.6	162.7	60.6	0	0	0	0	113.1	H258 K490 N511 E533 L534	H258-S509 WeakPolarHBondContact O-CB 3.47Å; K490-S509 WeakPolarHBondContact CD-O 3.3Å; S509-N511 PolarHBondContact O-N 3.39Å; S509-E533 VanDerWaalsContact C-OE2 3.24Å; S509-E533 VanDerWaalsContact CB-OE2 3.29Å; S509-E533 WeakPolarHBondContact CB-OE2 3.18Å; S509-E533 WeakPolarHBondContact OG-CA 3.2Å; S509-E533 PolarHBondContact OG-OE2 3.01Å; S509-L534 PolarHBondContact N-O 3.07Å; S509-L534 PolarHBondContact OG-N 2.83Å; S509-L534 PolarHBondContact OG-O 2.96Å
510	A	98.9	Very high	98.4	Very high	2 Å²	2	15.6 Å²	15.6	2%	0.017	9%	0.087	C	C	.	.			trans	-66.9	114	-169.2	0	0	0	0	0	113.3	Y492 T508 A516 W517 E533	Y492-A510 PolarHBondContact OH-O 3.36Å; T508-A510 VanDerWaalsContact C-N 3.33Å; T508-A510 HydrophobicContact CG2-CB 3.9Å; T508-A510 WeakPolarHBondContact OG1-CB 3.38Å; T508-A510 PolarHBondContact OG1-N 2.91Å; T508-A510 VanDerWaalsContact OG1-N 3.09Å; A510-A516 HydrophobicContact CB-CB 4.08Å; A510-W517 HydrophobicContact CB-CZ2 4.17Å; A510-E533 WeakPolarHBondContact CA-OE2 3.48Å; A510-E533 HydrophobicContact CB-CB 4.12Å; A510-E533 HydrophobicContact CB-CG 3.99Å; A510-E533 PolarHBondContact N-OE2 2.94Å
511	N	98.8	Very high	98.4	Very high	15 Å²	15	15.9 Å²	15.9	8%	0.08	8%	0.083	C	C	.	.			trans	-78.4	168.8	170	-82.9	-52.9	0	0	0	112.2	S394 S395 K490 S509 S513 W517	S394-N511 PolarHBondContact N-OD1 2.55Å; S395-N511 PolarHBondContact N-OD1 3.23Å; S395-N511 WeakPolarHBondContact O-CB 3.41Å; K490-N511 VanDerWaalsContact CE-CG 3.46Å; K490-N511 VanDerWaalsContact CE-ND2 3.3Å; K490-N511 WeakPolarHBondContact CE-ND2 3.26Å; K490-N511 WeakPolarHBondContact CE-OD1 3.41Å; K490-N511 VanDerWaalsContact CG-OD1 3.32Å; K490-N511 WeakPolarHBondContact CG-OD1 3.33Å; S509-N511 PolarHBondContact O-N 3.39Å; N511-S513 VanDerWaalsContact C-N 3.32Å; N511-S513 PolarHBondContact O-N 3.02Å; N511-W517 PolarHBondContact O-NE1 2.56Å
512	L	98.8	Very high	98.3	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.094	C	C	.	.	B	Isolated β-bridge	trans	-71.1	83.8	176.9	-173.9	67.3	0	0	0	111.2	F393 S395 I396 G397 L399 W406 L407 F411 L434	F393-L512 HydrophobicContact CD1-CB 3.7Å; F393-L512 HydrophobicContact CD1-CD2 4.48Å; F393-L512 HydrophobicContact CD2-CB 4.03Å; F393-L512 HydrophobicContact CE1-CB 3.81Å; F393-L512 HydrophobicContact CE1-CD2 3.73Å; F393-L512 HydrophobicContact CE1-CG 4.28Å; F393-L512 HydrophobicContact CE2-CB 4.14Å; F393-L512 HydrophobicContact CE2-CD2 4.23Å; F393-L512 HydrophobicContact CG-CB 3.82Å; F393-L512 HydrophobicContact CZ-CB 4.02Å; F393-L512 HydrophobicContact CZ-CD2 3.57Å; F393-L512 HydrophobicContact CZ-CG 4.42Å; S395-L512 PolarHBondContact O-N 3.19Å; I396-L512 WeakPolarHBondContact CA-O 3.3Å; G397-L512 PolarHBondContact N-O 2.79Å; L399-L512 HydrophobicContact CD1-CD2 3.95Å; L399-L512 HydrophobicContact CD1-CG 4.14Å; L399-L512 HydrophobicContact CD2-CG 4.46Å; W406-L512 HydrophobicContact CH2-CD1 4.36Å; W406-L512 HydrophobicContact CZ3-CD1 3.96Å; L407-L512 HydrophobicContact CD1-CD1 3.98Å; L407-L512 HydrophobicContact CD1-CD2 4.36Å; F411-L512 HydrophobicContact CD1-CD1 4.2Å; F411-L512 HydrophobicContact CE1-CD1 3.62Å; F411-L512 HydrophobicContact CE2-CD1 4.25Å; F411-L512 HydrophobicContact CZ-CD1 3.64Å; L434-L512 HydrophobicContact CD1-CD2 3.9Å
513	S	98.8	Very high	98.1	Very high	18 Å²	18	26.5 Å²	26.5	13%	0.126	14%	0.138	C	C	.	.	S	Bend	trans	-152.8	150.5	178.4	73.9	0	0	0	0	113	N511 A515 A516 W517	N511-S513 VanDerWaalsContact C-N 3.32Å; N511-S513 PolarHBondContact O-N 3.02Å; S513-A515 PolarHBondContact O-N 3.33Å; S513-A516 PolarHBondContact O-N 3.24Å; S513-A516 WeakPolarHBondContact OG-CB 3.49Å; S513-A516 PolarHBondContact OG-N 2.87Å; S513-A516 VanDerWaalsContact OG-N 3.15Å; S513-W517 WeakPolarHBondContact O-CB 3.36Å; S513-W517 PolarHBondContact O-N 2.97Å
514	K	98.8	Very high	97.9	Very high	63 Å²	63	27.6 Å²	27.6	27%	0.274	15%	0.15	S	C	.	.	H	α-helix	trans	-60.9	-27.4	169.2	-69.6	-174.5	-73.8	-162.7	0	113	S398 L399 W406 G518 A519	S398-K514 WeakPolarHBondContact O-CE 3.45Å; L399-K514 WeakPolarHBondContact O-CE 3.39Å; L399-K514 PolarHBondContact O-NZ 3.07Å; W406-K514 HydrophobicContact CB-CD 4.13Å; W406-K514 HydrophobicContact CB-CG 4.44Å; W406-K514 HydrophobicContact CD2-CD 4.29Å; W406-K514 HydrophobicContact CD2-CG 3.63Å; W406-K514 HydrophobicContact CE3-CG 4.22Å; W406-K514 HydrophobicContact CG-CD 3.86Å; W406-K514 HydrophobicContact CG-CG 3.72Å; W406-K514 HydrophobicContact CZ2-CG 4.25Å; K514-G518 CarbonylContact O-C 3.44Å; K514-G518 WeakPolarHBondContact O-CA 3.2Å; K514-G518 PolarHBondContact O-N 3.24Å; K514-A519 HydrophobicContact CB-CB 4.05Å; K514-A519 HydrophobicContact CD-CB 3.81Å; K514-A519 HydrophobicContact CG-CB 3.91Å
515	A	98.6	Very high	97.8	Very high	20 Å²	20	31.3 Å²	31.3	17%	0.165	17%	0.173	C	C	.	.	H	α-helix	trans	-68.6	-43.1	179.3	0	0	0	0	0	112.7	S513 R530 S531	S513-A515 PolarHBondContact O-N 3.33Å; A515-R530 HydrophobicContact CB-CB 3.99Å; A515-R530 HydrophobicContact CB-CG 4.37Å; A515-R530 PolarHBondContact O-N 3.35Å; A515-S531 PolarHBondContact O-N 2.64Å
516	A	98.6	Very high	97.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-78.8	-49.4	179.7	0	0	0	0	0	112.5	S352 A510 S513 E533	S352-A516 VanDerWaalsContact CB-O 3.23Å; S352-A516 WeakPolarHBondContact CB-O 3.46Å; S352-A516 PolarHBondContact OG-O 3.46Å; A510-A516 HydrophobicContact CB-CB 4.08Å; S513-A516 PolarHBondContact O-N 3.24Å; S513-A516 WeakPolarHBondContact OG-CB 3.49Å; S513-A516 PolarHBondContact OG-N 2.87Å; S513-A516 VanDerWaalsContact OG-N 3.15Å; A516-E533 HydrophobicContact CB-CG 3.77Å; A516-E533 WeakPolarHBondContact CB-OE1 3.35Å
517	W	98.9	Very high	97.7	Very high	3 Å²	3	31.6 Å²	31.6	1%	0.011	17%	0.174	C	C	.	.	H	α-helix	trans	-89.1	-23.7	-171.7	-81.5	104.2	0	0	0	114.4	G366 H367 L370 W406 F411 M415 Y492 L506 T508 A510 N511 S513	G366-W517 WeakPolarHBondContact CA-O 3.44Å; H367-W517 HydrophobicContact CB-CE3 3.81Å; H367-W517 HydrophobicContact CB-CZ3 4.43Å; H367-W517 PolarHBondContact CD2-O 3.44Å; H367-W517 VanDerWaalsContact CD2-O 3.28Å; H367-W517 PolarHBondContact N-O 2.83Å; L370-W517 HydrophobicContact CB-CZ3 4.39Å; L370-W517 HydrophobicContact CD2-CH2 4.26Å; L370-W517 HydrophobicContact CD2-CZ3 4.33Å; W406-W517 HydrophobicContact CH2-CB 4.04Å; W406-W517 HydrophobicContact CZ2-CB 3.74Å; F411-W517 HydrophobicContact CD2-CB 4.35Å; F411-W517 HydrophobicContact CD2-CD2 4.44Å; F411-W517 HydrophobicContact CD2-CG 4.15Å; F411-W517 HydrophobicContact CE2-CB 4.41Å; F411-W517 AromaticContact CE2-CD1 3.73Å; F411-W517 AromaticContact CE2-CD2 3.84Å; F411-W517 HydrophobicContact CE2-CD2 3.84Å; F411-W517 AromaticContact CE2-CE2 3.89Å; F411-W517 AromaticContact CE2-CG 3.73Å; F411-W517 HydrophobicContact CE2-CG 3.73Å; F411-W517 AromaticContact CE2-NE1 3.81Å; M415-W517 HydrophobicContact CE-CH2 3.65Å; M415-W517 HydrophobicContact CE-CZ2 3.72Å; M415-W517 HydrophobicContact CE-CZ3 4.12Å; Y492-W517 AromaticContact CD2-CZ2 3.7Å; Y492-W517 HydrophobicContact CD2-CZ2 3.7Å; Y492-W517 AromaticContact CE2-CE2 4Å; Y492-W517 AromaticContact CE2-CZ2 3.55Å; Y492-W517 HydrophobicContact CE2-CZ2 3.55Å; Y492-W517 AromaticContact CE2-NE1 3.85Å; Y492-W517 HydrophobicContact CG-CZ2 4.37Å; Y492-W517 AromaticContact CZ-NE1 3.69Å; Y492-W517 PolarHBondContact OH-NE1 2.85Å; L506-W517 HydrophobicContact CD2-CH2 3.56Å; L506-W517 HydrophobicContact CD2-CZ2 4.06Å; T508-W517 HydrophobicContact CG2-CZ2 4.49Å; A510-W517 HydrophobicContact CB-CZ2 4.17Å; N511-W517 PolarHBondContact O-NE1 2.56Å; S513-W517 WeakPolarHBondContact O-CB 3.36Å; S513-W517 PolarHBondContact O-N 2.97Å
518	G	98.6	Very high	97.7	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.176	C	C	.	.			trans	94.4	158.1	-173.3	0	0	0	0	0	113.8	H367 W406 K514 M528	H367-G518 PolarHBondContact CD2-O 3.11Å; W406-G518 PolarHBondContact NE1-O 2.99Å; K514-G518 CarbonylContact O-C 3.44Å; K514-G518 WeakPolarHBondContact O-CA 3.2Å; K514-G518 PolarHBondContact O-N 3.24Å; G518-M528 CarbonylContact C-O 3.57Å; G518-M528 WeakPolarHBondContact CA-O 3Å
519	A	98.6	Very high	97.7	Very high	13 Å²	13	32 Å²	32	11%	0.107	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	151.5	172	0	0	0	0	0	110.9	K514 M528	K514-A519 HydrophobicContact CB-CB 4.05Å; K514-A519 HydrophobicContact CD-CB 3.81Å; K514-A519 HydrophobicContact CG-CB 3.91Å; A519-M528 PolarHBondContact N-O 3.46Å; A519-M528 PolarHBondContact O-N 3.45Å
520	L	98.2	Very high	97.7	Very high	56 Å²	56	34.5 Å²	34.5	29%	0.293	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	127.7	-179.6	-73.9	171.2	0	0	0	112.8	K362 F368 E410 Q526 L527	K362-L520 HydrophobicContact CD-CD2 4.34Å; F368-L520 HydrophobicContact CE2-CD1 4.11Å; F368-L520 HydrophobicContact CE2-CD2 3.62Å; F368-L520 HydrophobicContact CE2-CG 3.93Å; F368-L520 HydrophobicContact CZ-CD1 4.01Å; F368-L520 HydrophobicContact CZ-CD2 3.71Å; F368-L520 HydrophobicContact CZ-CG 4.2Å; E410-L520 HydrophobicContact CG-CD1 4.26Å; E410-L520 VanDerWaalsContact OE2-CB 3.23Å; E410-L520 WeakPolarHBondContact OE2-CB 3.3Å; E410-L520 WeakPolarHBondContact OE2-CG 3.44Å; E410-L520 PolarHBondContact OE2-N 3.34Å; L520-Q526 CarbonylContact C-O 3.46Å; L520-Q526 WeakPolarHBondContact CA-O 3.39Å; L520-Q526 VanDerWaalsContact CD2-O 3.3Å; L520-Q526 WeakPolarHBondContact CD2-O 3.31Å; L520-L527 HydrophobicContact CD2-CB 4.42Å; L520-L527 HydrophobicContact CD2-CD1 4.49Å
521	E	96.3	Very high	97.6	Very high	49 Å²	49	34.5 Å²	34.5	23%	0.229	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	168.5	166.8	-66.9	-178.1	162.7	0	0	109.9	R356 N523 G524 Q526 M528	R356-E521 IonicContact CZ-OE1 2.7Å; R356-E521 IonicContact CZ-OE2 3.44Å; R356-E521 IonicContact NE-OE1 3.75Å; R356-E521 PolarHBondContact NE-OE1 3.1Å; R356-E521 IonicContact NE-OE2 3.27Å; R356-E521 PolarHBondContact NE-OE2 3.4Å; R356-E521 IonicContact NH2-OE1 2.77Å; R356-E521 PolarHBondContact NH2-OE1 3.19Å; R356-E521 IonicContact NH2-OE2 3.63Å; R356-E521 PolarHBondContact NH2-OE2 2.95Å; E521-N523 PolarHBondContact O-N 3.47Å; E521-G524 PolarHBondContact O-N 3.26Å; E521-Q526 HydrophobicContact CB-CB 4.33Å; E521-Q526 HydrophobicContact CB-CG 4.4Å; E521-Q526 PolarHBondContact N-O 3.46Å; E521-Q526 PolarHBondContact O-N 3.1Å; E521-M528 VanDerWaalsContact CD-CB 3.47Å; E521-M528 HydrophobicContact CG-CB 3.87Å; E521-M528 WeakPolarHBondContact OE1-CG 3.27Å
522	K	94.9	Very high	97.7	Very high	128 Å²	128	34 Å²	34	56%	0.557	18%	0.181	S	C	*	.	G	3₁₀ helix	trans	49.3	58.4	172.1	-60.8	179.7	-177.4	161.7	0	113.2	G524 T525 Q526	K522-G524 VanDerWaalsContact C-N 3.25Å; K522-G524 PolarHBondContact O-N 3.24Å; K522-T525 WeakPolarHBondContact CB-OG1 3.32Å; K522-T525 WeakPolarHBondContact O-CB 3.42Å; K522-T525 WeakPolarHBondContact O-CG2 3.49Å; K522-T525 PolarHBondContact O-N 3.28Å; K522-T525 VanDerWaalsContact O-N 3.09Å; K522-T525 PolarHBondContact O-OG1 2.68Å; K522-Q526 HydrophobicContact CB-CB 4.38Å; K522-Q526 HydrophobicContact CD-CB 4.42Å; K522-Q526 VanDerWaalsContact CD-OE1 3.29Å
523	N	92.3	Very high	97.7	Very high	175 Å²	175	34.2 Å²	34.2	94%	0.936	18%	0.182	S	C	*	.	G	3₁₀ helix	trans	54	38	175.3	-54.3	-11.3	0	0	0	113.5	E521 T525	E521-N523 PolarHBondContact O-N 3.47Å; N523-T525 VanDerWaalsContact C-N 3.34Å; N523-T525 PolarHBondContact O-N 3.34Å
524	G	93.1	Very high	97.7	Very high	27 Å²	27	33.4 Å²	33.4	28%	0.278	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	84.9	-2.4	177.8	0	0	0	0	0	115.6	K362 E521 K522	K362-G524 PolarHBondContact NZ-O 3.41Å; E521-G524 PolarHBondContact O-N 3.26Å; K522-G524 VanDerWaalsContact C-N 3.25Å; K522-G524 PolarHBondContact O-N 3.24Å
525	T	96.1	Very high	97.7	Very high	78 Å²	78	30.4 Å²	30.4	48%	0.479	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-27.9	-179.7	61.9	0	0	0	0	113	K522 N523	K522-T525 WeakPolarHBondContact CB-OG1 3.32Å; K522-T525 WeakPolarHBondContact O-CB 3.42Å; K522-T525 WeakPolarHBondContact O-CG2 3.49Å; K522-T525 PolarHBondContact O-N 3.28Å; K522-T525 VanDerWaalsContact O-N 3.09Å; K522-T525 PolarHBondContact O-OG1 2.68Å; N523-T525 VanDerWaalsContact C-N 3.34Å; N523-T525 PolarHBondContact O-N 3.34Å
526	Q	98	Very high	97.7	Very high	6 Å²	6	29.5 Å²	29.5	3%	0.028	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	134.5	-173.3	178.8	147.8	68	0	0	111.1	R356 F357 Q358 L520 E521 K522	R356-Q526 HydrophobicContact CB-CG 4.24Å; R356-Q526 HydrophobicContact CG-CG 4.47Å; R356-Q526 PolarHBondContact O-NE2 3.11Å; F357-Q526 CarbonylContact O-C 3.6Å; F357-Q526 VanDerWaalsContact O-CA 3.3Å; F357-Q526 WeakPolarHBondContact O-CA 3.41Å; Q358-Q526 VanDerWaalsContact CD-NE2 3.35Å; Q358-Q526 HydrophobicContact CG-CB 4.03Å; Q358-Q526 HydrophobicContact CG-CG 4.13Å; L520-Q526 CarbonylContact C-O 3.46Å; L520-Q526 WeakPolarHBondContact CA-O 3.39Å; L520-Q526 VanDerWaalsContact CD2-O 3.3Å; L520-Q526 WeakPolarHBondContact CD2-O 3.31Å; E521-Q526 HydrophobicContact CB-CB 4.33Å; E521-Q526 HydrophobicContact CB-CG 4.4Å; E521-Q526 PolarHBondContact N-O 3.46Å; E521-Q526 PolarHBondContact O-N 3.1Å; K522-Q526 HydrophobicContact CB-CB 4.38Å; K522-Q526 HydrophobicContact CD-CB 4.42Å; K522-Q526 VanDerWaalsContact CD-OE1 3.29Å
527	L	98.6	Very high	97.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	121.6	170.2	179.2	67.6	0	0	0	109	R356 F357 K362 F368 L520 I529	R356-L527 CarbonylContact C-O 3.53Å; R356-L527 WeakPolarHBondContact CA-O 3.41Å; F357-L527 PolarHBondContact N-O 2.97Å; F357-L527 PolarHBondContact O-N 3.45Å; K362-L527 HydrophobicContact CB-CB 4.29Å; K362-L527 HydrophobicContact CD-CB 3.98Å; K362-L527 HydrophobicContact CG-CB 3.85Å; F368-L527 HydrophobicContact CB-CD2 4Å; F368-L527 HydrophobicContact CD2-CD1 3.79Å; F368-L527 HydrophobicContact CD2-CD2 3.68Å; F368-L527 HydrophobicContact CD2-CG 4.22Å; F368-L527 HydrophobicContact CE2-CD1 3.99Å; F368-L527 HydrophobicContact CG-CD2 4.13Å; L520-L527 HydrophobicContact CD2-CB 4.42Å; L520-L527 HydrophobicContact CD2-CD1 4.49Å; L527-I529 HydrophobicContact CD2-CD1 4.15Å; L527-I529 HydrophobicContact CG-CG1 4.36Å
528	M	98.6	Very high	97.7	Very high	13 Å²	13	29.3 Å²	29.3	6%	0.064	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	128.5	176.9	-176	-84.6	-63.7	0	0	110.4	I252 G355 R356 G518 A519 E521 R530	I252-M528 HydrophobicContact CG2-SD 4.47Å; G355-M528 WeakPolarHBondContact O-CA 3.3Å; R356-M528 HydrophobicContact CG-CB 4.02Å; R356-M528 HydrophobicContact CG-CG 3.77Å; G518-M528 CarbonylContact C-O 3.57Å; G518-M528 WeakPolarHBondContact CA-O 3Å; A519-M528 PolarHBondContact N-O 3.46Å; A519-M528 PolarHBondContact O-N 3.45Å; E521-M528 VanDerWaalsContact CD-CB 3.47Å; E521-M528 HydrophobicContact CG-CB 3.87Å; E521-M528 WeakPolarHBondContact OE1-CG 3.27Å; M528-R530 HydrophobicContact CE-CG 4.49Å; M528-R530 HydrophobicContact SD-CG 3.58Å; M528-R530 VanDerWaalsContact SD-CG 3.58Å
529	I	98.8	Very high	97.7	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	141.6	178.2	-67.5	174	0	0	0	107.6	I252 T353 P354 G355 F357 W365 L527 S531	I252-I529 WeakPolarHBondContact CD1-O 3.12Å; T353-I529 WeakPolarHBondContact O-CB 3.06Å; T353-I529 WeakPolarHBondContact O-CG2 3.5Å; P354-I529 WeakPolarHBondContact CA-O 3.44Å; G355-I529 PolarHBondContact N-O 2.86Å; G355-I529 PolarHBondContact O-N 3.19Å; F357-I529 HydrophobicContact CD2-CD1 4.33Å; F357-I529 HydrophobicContact CE2-CB 4.27Å; F357-I529 HydrophobicContact CE2-CD1 4.05Å; F357-I529 HydrophobicContact CE2-CG1 4.41Å; W365-I529 HydrophobicContact CB-CD1 3.49Å; W365-I529 VanDerWaalsContact CB-CD1 3.49Å; L527-I529 HydrophobicContact CD2-CD1 4.15Å; L527-I529 HydrophobicContact CG-CG1 4.36Å; I529-S531 WeakPolarHBondContact CG2-O 3.36Å
530	R	98.6	Very high	97.6	Very high	59 Å²	59	28.9 Å²	28.9	22%	0.223	15%	0.151	C	C	.	.			trans	-105.8	-32.3	-178.3	-55.1	-172.4	177.8	-113.7	4.2	113.4	I252 A253 G255 P354 A515 M528	I252-R530 HydrophobicContact CG2-CB 4.38Å; I252-R530 HydrophobicContact CG2-CG 3.89Å; A253-R530 WeakPolarHBondContact O-CD 3.34Å; A253-R530 PolarHBondContact O-NH1 3.12Å; G255-R530 WeakPolarHBondContact CA-O 3.39Å; P354-R530 WeakPolarHBondContact CB-O 3.44Å; P354-R530 WeakPolarHBondContact CG-O 3.17Å; A515-R530 HydrophobicContact CB-CB 3.99Å; A515-R530 HydrophobicContact CB-CG 4.37Å; A515-R530 PolarHBondContact O-N 3.35Å; M528-R530 HydrophobicContact CE-CG 4.49Å; M528-R530 HydrophobicContact SD-CG 3.58Å; M528-R530 VanDerWaalsContact SD-CG 3.58Å
531	S	98.6	Very high	97.4	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.014	15%	0.154	C	C	.	.	S	Bend	trans	-109.8	157.2	-169.4	-64.1	0	0	0	0	113.8	T256 S352 A515 I529	T256-S531 PolarHBondContact N-OG 2.87Å; T256-S531 VanDerWaalsContact N-OG 3.11Å; T256-S531 CarbonylContact O-C 3.56Å; T256-S531 WeakPolarHBondContact O-CA 3.45Å; T256-S531 WeakPolarHBondContact O-CB 3.28Å; T256-S531 PolarHBondContact O-OG 3.44Å; S352-S531 CarbonylContact C-O 3.49Å; A515-S531 PolarHBondContact O-N 2.64Å; I529-S531 WeakPolarHBondContact CG2-O 3.36Å
532	Y	98.9	Very high	97.4	Very high	5 Å²	5	27.6 Å²	27.6	2%	0.02	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-83.9	121.4	160.3	-68.4	-87.1	0	0	0	109.3	A248 K249 L250 T256 H257 H258 T259 Y325 S352 T353 P354	A248-Y532 HydrophobicContact CB-CD2 4.07Å; A248-Y532 HydrophobicContact CB-CE2 3.72Å; K249-Y532 WeakPolarHBondContact O-CE2 3.36Å; K249-Y532 PolarHBondContact O-OH 3.16Å; L250-Y532 HydrophobicContact CD2-CD2 3.75Å; L250-Y532 HydrophobicContact CD2-CE2 3.97Å; T256-Y532 PolarHBondContact O-N 3.29Å; H257-Y532 HydrophobicContact CB-CD2 4.5Å; H257-Y532 AromaticContact CD2-CD2 3.92Å; H257-Y532 AromaticContact CD2-CG 3.92Å; H258-Y532 PolarHBondContact N-O 3.46Å; T259-Y532 PolarHBondContact N-O 3.31Å; T259-Y532 VanDerWaalsContact N-O 3.14Å; T259-Y532 PolarHBondContact OG1-O 3.37Å; Y325-Y532 HydrophobicContact CD1-CE1 4.07Å; Y325-Y532 HydrophobicContact CD2-CD1 4.38Å; Y325-Y532 AromaticContact CD2-CE1 3.86Å; Y325-Y532 HydrophobicContact CD2-CE1 3.86Å; Y325-Y532 AromaticContact CE1-CD1 3.99Å; Y325-Y532 HydrophobicContact CE1-CD1 3.99Å; Y325-Y532 AromaticContact CE1-CE1 3.92Å; Y325-Y532 HydrophobicContact CE1-CE1 3.92Å; Y325-Y532 HydrophobicContact CE1-CG 4.36Å; Y325-Y532 AromaticContact CE2-CD1 3.73Å; Y325-Y532 HydrophobicContact CE2-CD1 3.73Å; Y325-Y532 AromaticContact CE2-CE1 3.67Å; Y325-Y532 HydrophobicContact CE2-CE1 3.67Å; Y325-Y532 HydrophobicContact CG-CE1 4.03Å; Y325-Y532 AromaticContact CZ-CD1 3.5Å; Y325-Y532 VanDerWaalsContact CZ-CD1 3.5Å; Y325-Y532 AromaticContact CZ-CE1 3.7Å; S352-Y532 VanDerWaalsContact O-CA 3.32Å; S352-Y532 WeakPolarHBondContact O-CA 3.28Å; T353-Y532 HydrophobicContact CG2-CD1 4.09Å; T353-Y532 HydrophobicContact CG2-CE1 4.17Å; P354-Y532 VanDerWaalsContact CD-CE2 3.48Å; P354-Y532 VanDerWaalsContact CD-CZ 3.44Å; P354-Y532 HydrophobicContact CG-CD2 3.67Å; P354-Y532 HydrophobicContact CG-CE1 4.46Å; P354-Y532 HydrophobicContact CG-CE2 3.49Å; P354-Y532 VanDerWaalsContact CG-CE2 3.49Å; P354-Y532 HydrophobicContact CG-CG 4.24Å
533	E	98.9	Very high	97.4	Very high	3 Å²	3	23.8 Å²	23.8	1%	0.014	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	159.6	173.1	-51.2	-69.3	169.3	0	0	110.2	H258 T259 Y321 G351 S352 S509 A510 A516	H258-E533 VanDerWaalsContact CB-OE2 3.25Å; H258-E533 WeakPolarHBondContact CB-OE2 3.32Å; H258-E533 IonicContact CD2-OE1 3.93Å; H258-E533 PolarHBondContact CD2-OE1 2.86Å; H258-E533 IonicContact CG-OE1 3.94Å; T259-E533 VanDerWaalsContact OG1-CA 3.28Å; T259-E533 WeakPolarHBondContact OG1-CA 3.37Å; T259-E533 PolarHBondContact OG1-N 2.96Å; Y321-E533 WeakPolarHBondContact CE2-O 3.15Å; Y321-E533 PolarHBondContact OH-O 3.48Å; G351-E533 WeakPolarHBondContact CA-O 3.17Å; S352-E533 PolarHBondContact N-O 2.8Å; S352-E533 PolarHBondContact O-N 3.49Å; S509-E533 VanDerWaalsContact C-OE2 3.24Å; S509-E533 VanDerWaalsContact CB-OE2 3.29Å; S509-E533 WeakPolarHBondContact CB-OE2 3.18Å; S509-E533 WeakPolarHBondContact OG-CA 3.2Å; S509-E533 PolarHBondContact OG-OE2 3.01Å; A510-E533 WeakPolarHBondContact CA-OE2 3.48Å; A510-E533 HydrophobicContact CB-CB 4.12Å; A510-E533 HydrophobicContact CB-CG 3.99Å; A510-E533 PolarHBondContact N-OE2 2.94Å; A516-E533 HydrophobicContact CB-CG 3.77Å; A516-E533 WeakPolarHBondContact CB-OE1 3.35Å
534	L	98.9	Very high	97.5	Very high	2 Å²	2	18.9 Å²	18.9	1%	0.01	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	152.2	171.3	-155.9	60.6	0	0	0	111.9	T259 M261 I274 Y321 L349 I350 T508 S509	T259-L534 HydrophobicContact CG2-CB 3.78Å; T259-L534 HydrophobicContact CG2-CD2 4.16Å; T259-L534 PolarHBondContact OG1-N 2.99Å; M261-L534 HydrophobicContact CB-CD2 4.34Å; M261-L534 HydrophobicContact CE-CD2 4.24Å; M261-L534 HydrophobicContact CG-CD2 4.44Å; M261-L534 HydrophobicContact SD-CD2 3.49Å; M261-L534 WeakPolarHBondContact SD-CD2 3.35Å; I274-L534 HydrophobicContact CD1-CD2 3.9Å; I274-L534 HydrophobicContact CD1-CG 4.22Å; I274-L534 HydrophobicContact CG1-CD2 4.19Å; Y321-L534 HydrophobicContact CD1-CD1 4.02Å; Y321-L534 HydrophobicContact CD1-CD2 4.21Å; Y321-L534 HydrophobicContact CD2-CD1 3.84Å; Y321-L534 HydrophobicContact CE1-CD1 4.03Å; Y321-L534 HydrophobicContact CE1-CD2 3.98Å; Y321-L534 HydrophobicContact CE1-CG 4.47Å; Y321-L534 HydrophobicContact CE2-CD1 3.84Å; Y321-L534 HydrophobicContact CG-CD1 3.94Å; L349-L534 HydrophobicContact CD1-CD1 3.72Å; L349-L534 HydrophobicContact CD1-CD2 4.32Å; L349-L534 HydrophobicContact CD1-CG 3.98Å; L349-L534 HydrophobicContact CD2-CD1 4.08Å; L349-L534 HydrophobicContact CG-CD1 3.88Å; I350-L534 CarbonylContact O-C 3.54Å; T508-L534 CarbonylContact C-O 3.44Å; T508-L534 VanDerWaalsContact CA-O 3.31Å; T508-L534 WeakPolarHBondContact CA-O 3.37Å; T508-L534 PolarHBondContact OG1-O 2.8Å; S509-L534 PolarHBondContact N-O 3.07Å; S509-L534 PolarHBondContact OG-N 2.83Å; S509-L534 PolarHBondContact OG-O 2.96Å
535	G	98.9	Very high	97.5	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.3	169.9	177.7	0	0	0	0	0	112.4	I350 V507	I350-G535 PolarHBondContact N-O 2.89Å; I350-G535 PolarHBondContact O-N 2.82Å; V507-G535 CarbonylContact O-C 3.56Å; V507-G535 WeakPolarHBondContact O-CA 3.35Å
536	V	98.9	Very high	97.3	Very high	0 Å²	0	22 Å²	22	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	129	-179.1	-66	0	0	0	0	111.7	I274 W292 F314 V347 Y348 L349 L506 V507 F538	I274-V536 HydrophobicContact CD1-CG1 3.71Å; W292-V536 HydrophobicContact CB-CG2 3.62Å; W292-V536 HydrophobicContact CD2-CG1 4.1Å; W292-V536 HydrophobicContact CD2-CG2 4.17Å; W292-V536 HydrophobicContact CE3-CG1 3.91Å; W292-V536 HydrophobicContact CG-CG2 3.73Å; W292-V536 HydrophobicContact CZ3-CG1 4.33Å; F314-V536 HydrophobicContact CE2-CG1 4.19Å; V347-V536 HydrophobicContact CB-CB 4.06Å; V347-V536 HydrophobicContact CG2-CB 3.89Å; V347-V536 HydrophobicContact CG2-CG1 3.87Å; Y348-V536 WeakPolarHBondContact O-CA 3.17Å; L349-V536 HydrophobicContact CD1-CG1 4.46Å; L506-V536 WeakPolarHBondContact CA-O 3.38Å; L506-V536 VanDerWaalsContact CD1-O 3.27Å; L506-V536 WeakPolarHBondContact CD1-O 3.31Å; V507-V536 HydrophobicContact CG1-CG2 3.76Å; V507-V536 PolarHBondContact N-O 2.67Å; V507-V536 PolarHBondContact O-N 3.36Å; V536-F538 HydrophobicContact CG2-CE2 4Å; V536-F538 HydrophobicContact CG2-CZ 4.18Å
537	L	98.9	Very high	97.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	119.9	179.3	-179.1	76.9	0	0	0	110.2	Y348 I350 L370 L373 L374 W504 L506 L539	Y348-L537 PolarHBondContact N-O 2.88Å; Y348-L537 PolarHBondContact O-N 3.3Å; I350-L537 HydrophobicContact CD1-CB 3.8Å; I350-L537 HydrophobicContact CD1-CD1 4.46Å; I350-L537 HydrophobicContact CD1-CD2 4.21Å; I350-L537 HydrophobicContact CD1-CG 4.38Å; I350-L537 HydrophobicContact CG1-CB 4.23Å; L370-L537 HydrophobicContact CD1-CD1 3.79Å; L370-L537 HydrophobicContact CD1-CD2 4.02Å; L373-L537 HydrophobicContact CB-CD2 3.93Å; L373-L537 HydrophobicContact CD1-CD2 3.94Å; L374-L537 HydrophobicContact CD2-CD2 4.45Å; W504-L537 HydrophobicContact CB-CD1 4.27Å; W504-L537 HydrophobicContact CD2-CD1 4.27Å; W504-L537 HydrophobicContact CE3-CD1 3.71Å; W504-L537 HydrophobicContact CZ3-CD1 4.46Å; L506-L537 HydrophobicContact CB-CD1 4.07Å; L506-L537 HydrophobicContact CD1-CB 4.47Å; L537-L539 HydrophobicContact CD2-CD1 3.95Å; L537-L539 HydrophobicContact CD2-CD2 3.88Å; L537-L539 HydrophobicContact CD2-CG 3.71Å; L537-L539 HydrophobicContact CG-CD2 4.2Å; L537-L539 HydrophobicContact CG-CG 4.03Å
538	F	98.7	Very high	96.9	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	112.5	168.7	-58	-89.7	0	0	0	108.8	F159 F161 W292 V347 W504 F505 V507 V536 F543 F548 F565	F159-F538 HydrophobicContact CB-CD1 4.34Å; F159-F538 HydrophobicContact CB-CE1 3.99Å; F159-F538 HydrophobicContact CD1-CD1 4.14Å; F159-F538 VanDerWaalsContact O-CE1 3.24Å; F159-F538 WeakPolarHBondContact O-CE1 3.5Å; F161-F538 HydrophobicContact CB-CZ 4.04Å; W292-F538 AromaticContact CD1-CZ 3.84Å; V347-F538 HydrophobicContact CG1-CD1 3.48Å; V347-F538 VanDerWaalsContact CG1-CD1 3.48Å; V347-F538 HydrophobicContact CG1-CE1 3.33Å; V347-F538 HydrophobicContact CG1-CG 4.22Å; V347-F538 HydrophobicContact CG1-CZ 3.97Å; W504-F538 WeakPolarHBondContact CA-O 3.49Å; F505-F538 HydrophobicContact CB-CB 4.37Å; F505-F538 HydrophobicContact CB-CD2 4.38Å; F505-F538 AromaticContact CD1-CD2 3.97Å; F505-F538 HydrophobicContact CD1-CD2 3.97Å; F505-F538 HydrophobicContact CD1-CE2 4.32Å; F505-F538 PolarHBondContact N-O 3.06Å; F505-F538 VanDerWaalsContact N-O 3.15Å; F505-F538 PolarHBondContact O-N 3.4Å; V507-F538 HydrophobicContact CG1-CE2 4.33Å; V536-F538 HydrophobicContact CG2-CE2 4Å; V536-F538 HydrophobicContact CG2-CZ 4.18Å; F538-F543 HydrophobicContact CD1-CE2 4.2Å; F538-F543 HydrophobicContact CD1-CZ 4.01Å; F538-F548 HydrophobicContact CB-CE2 3.87Å; F538-F548 HydrophobicContact CB-CZ 4.18Å; F538-F565 HydrophobicContact CB-CE2 4.04Å; F538-F565 AromaticContact CD1-CE2 3.88Å; F538-F565 HydrophobicContact CD1-CE2 3.88Å; F538-F565 AromaticContact CD2-CE2 3.84Å; F538-F565 HydrophobicContact CD2-CE2 3.84Å; F538-F565 AromaticContact CD2-CZ 3.89Å; F538-F565 HydrophobicContact CD2-CZ 3.89Å; F538-F565 HydrophobicContact CE1-CE2 4.3Å; F538-F565 HydrophobicContact CE2-CE2 4.25Å; F538-F565 HydrophobicContact CE2-CZ 4.09Å; F538-F565 AromaticContact CG-CE2 3.63Å; F538-F565 HydrophobicContact CG-CE2 3.63Å; F538-F565 HydrophobicContact CG-CZ 4.18Å; F538-F565 HydrophobicContact CZ-CE2 4.47Å
539	L	97.9	Very high	96.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.165	C	C	.	.			trans	-108	129.5	171.4	-73.6	-176.3	0	0	0	109.9	Y348 L374 H377 A378 W504 L537 S541 A542 F543	Y348-L539 HydrophobicContact CD2-CB 4.36Å; Y348-L539 HydrophobicContact CD2-CD1 3.89Å; Y348-L539 HydrophobicContact CD2-CG 4.18Å; Y348-L539 HydrophobicContact CE2-CB 4.12Å; Y348-L539 HydrophobicContact CE2-CD1 3.71Å; Y348-L539 HydrophobicContact CE2-CG 4.23Å; L374-L539 HydrophobicContact CD2-CD2 3.97Å; H377-L539 HydrophobicContact CB-CD1 3.51Å; A378-L539 HydrophobicContact CB-CD2 4.14Å; W504-L539 HydrophobicContact CB-CD2 3.64Å; W504-L539 HydrophobicContact CG-CD2 4.48Å; L537-L539 HydrophobicContact CD2-CD1 3.95Å; L537-L539 HydrophobicContact CD2-CD2 3.88Å; L537-L539 HydrophobicContact CD2-CG 3.71Å; L537-L539 HydrophobicContact CG-CD2 4.2Å; L537-L539 HydrophobicContact CG-CG 4.03Å; L539-S541 PolarHBondContact O-N 3.18Å; L539-S541 VanDerWaalsContact O-N 3.1Å; L539-A542 WeakPolarHBondContact O-CB 3.37Å; L539-A542 PolarHBondContact O-N 2.77Å; L539-F543 WeakPolarHBondContact O-CD2 3.1Å
540	P	96.4	Very high	96.7	Very high	4 Å²	4	29.3 Å²	29.3	3%	0.026	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-49.7	-37.1	177.7	-30.6	36.5	0	0	0	114.1	A503 A542 F543 G544 L545 F548	A503-P540 WeakPolarHBondContact O-CD 3.24Å; A503-P540 VanDerWaalsContact O-CG 3.27Å; A503-P540 WeakPolarHBondContact O-CG 3.44Å; P540-A542 VanDerWaalsContact C-N 3.29Å; P540-A542 PolarHBondContact O-N 3.09Å; P540-F543 CarbonylContact O-C 3.42Å; P540-F543 WeakPolarHBondContact O-CA 3.29Å; P540-F543 PolarHBondContact O-N 2.9Å; P540-G544 PolarHBondContact O-N 3.36Å; P540-G544 VanDerWaalsContact O-N 3.17Å; P540-L545 CarbonylContact C-O 3.54Å; P540-L545 HydrophobicContact CB-CB 3.92Å; P540-L545 WeakPolarHBondContact CB-O 3.3Å; P540-L545 PolarHBondContact O-N 3.03Å; P540-L545 VanDerWaalsContact O-O 3.13Å; P540-F548 HydrophobicContact CB-CD1 4.5Å; P540-F548 HydrophobicContact CB-CE1 4.21Å; P540-F548 HydrophobicContact CB-CZ 4.27Å; P540-F548 HydrophobicContact CG-CD1 4.37Å; P540-F548 HydrophobicContact CG-CD2 3.96Å; P540-F548 HydrophobicContact CG-CE1 4.24Å; P540-F548 HydrophobicContact CG-CE2 3.82Å; P540-F548 HydrophobicContact CG-CG 4.24Å; P540-F548 HydrophobicContact CG-CZ 3.97Å
541	S	95.4	Very high	96.5	Very high	52 Å²	52	28 Å²	28	36%	0.364	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-59.7	-33.1	178	48.6	0	0	0	0	114	H377 L539 F543 G544 L545	H377-S541 WeakPolarHBondContact O-CB 3.43Å; H377-S541 PolarHBondContact O-OG 3.25Å; L539-S541 PolarHBondContact O-N 3.18Å; L539-S541 VanDerWaalsContact O-N 3.1Å; S541-F543 PolarHBondContact O-N 3.21Å; S541-G544 PolarHBondContact O-N 2.86Å; S541-L545 PolarHBondContact N-O 3.32Å
542	A	96	Very high	96.1	Very high	26 Å²	26	34.9 Å²	34.9	22%	0.215	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-71.8	-11.8	174.4	0	0	0	0	0	113.4	T312 N346 Y348 L539 P540	T312-A542 HydrophobicContact CG2-CB 4.2Å; N346-A542 WeakPolarHBondContact O-CB 3.46Å; Y348-A542 HydrophobicContact CE2-CB 4.16Å; L539-A542 WeakPolarHBondContact O-CB 3.37Å; L539-A542 PolarHBondContact O-N 2.77Å; P540-A542 VanDerWaalsContact C-N 3.29Å; P540-A542 PolarHBondContact O-N 3.09Å
543	F	94.9	Very high	95.7	Very high	48 Å²	48	41.5 Å²	41.5	21%	0.211	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-112.8	7.3	176.9	-64.2	-100.4	0	0	0	112.2	F159 N346 F538 L539 P540 S541 L545 F548	F159-F543 HydrophobicContact CD1-CD1 4.06Å; F159-F543 AromaticContact CD1-CE1 3.51Å; F159-F543 HydrophobicContact CD1-CE1 3.51Å; F159-F543 HydrophobicContact CD1-CE2 4.29Å; F159-F543 AromaticContact CD1-CZ 3.67Å; F159-F543 HydrophobicContact CD1-CZ 3.67Å; F159-F543 AromaticContact CE1-CD1 3.75Å; F159-F543 HydrophobicContact CE1-CD1 3.75Å; F159-F543 HydrophobicContact CE1-CD2 4.41Å; F159-F543 AromaticContact CE1-CE1 3.72Å; F159-F543 HydrophobicContact CE1-CE1 3.72Å; F159-F543 HydrophobicContact CE1-CE2 4.41Å; F159-F543 HydrophobicContact CE1-CG 4.12Å; F159-F543 HydrophobicContact CE1-CZ 4.08Å; N346-F543 HydrophobicContact CB-CE1 4.2Å; N346-F543 HydrophobicContact CB-CE2 4.25Å; N346-F543 HydrophobicContact CB-CZ 3.89Å; N346-F543 VanDerWaalsContact ND2-CE1 3.25Å; N346-F543 WeakPolarHBondContact ND2-CE1 3.44Å; N346-F543 VanDerWaalsContact O-CE2 3.29Å; N346-F543 WeakPolarHBondContact O-CE2 3.44Å; F538-F543 HydrophobicContact CD1-CE2 4.2Å; F538-F543 HydrophobicContact CD1-CZ 4.01Å; L539-F543 WeakPolarHBondContact O-CD2 3.1Å; P540-F543 CarbonylContact O-C 3.42Å; P540-F543 WeakPolarHBondContact O-CA 3.29Å; P540-F543 PolarHBondContact O-N 2.9Å; S541-F543 PolarHBondContact O-N 3.21Å; F543-L545 HydrophobicContact CB-CD1 4.19Å; F543-L545 HydrophobicContact CB-CG 4.42Å; F543-F548 HydrophobicContact CB-CE1 4.15Å; F543-F548 AromaticContact CD2-CE1 3.93Å; F543-F548 HydrophobicContact CD2-CE1 3.93Å; F543-F548 AromaticContact CD2-CZ 3.78Å; F543-F548 HydrophobicContact CD2-CZ 3.78Å; F543-F548 HydrophobicContact CE2-CZ 4.19Å; F543-F548 HydrophobicContact CG-CE1 4.06Å; F543-F548 HydrophobicContact CG-CZ 4.38Å
544	G	93.6	Very high	95.5	Very high	72 Å²	72	42 Å²	42	74%	0.742	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.2	29.1	-177.3	0	0	0	0	0	114.6	P540 S541	P540-G544 PolarHBondContact O-N 3.36Å; P540-G544 VanDerWaalsContact O-N 3.17Å; S541-G544 PolarHBondContact O-N 2.86Å
545	L	93.8	Very high	95	Very high	54 Å²	54	44 Å²	44	28%	0.283	24%	0.237	S	C	.	.			trans	-125.3	157.1	-175.4	-60.2	172	0	0	0	111.5	P540 S541 F543 F548 A563	P540-L545 CarbonylContact C-O 3.54Å; P540-L545 HydrophobicContact CB-CB 3.92Å; P540-L545 WeakPolarHBondContact CB-O 3.3Å; P540-L545 PolarHBondContact O-N 3.03Å; P540-L545 VanDerWaalsContact O-O 3.13Å; S541-L545 PolarHBondContact N-O 3.32Å; F543-L545 HydrophobicContact CB-CD1 4.19Å; F543-L545 HydrophobicContact CB-CG 4.42Å; L545-F548 HydrophobicContact CD1-CD1 3.8Å; L545-F548 HydrophobicContact CD1-CE1 4.01Å; L545-A563 HydrophobicContact CD1-CB 3.63Å; L545-A563 HydrophobicContact CD2-CB 4Å
546	D	91.6	Very high	94.1	Very high	115 Å²	115	45.4 Å²	45.4	62%	0.615	25%	0.249	S	C	*	.	S	Bend	trans	-86.5	-28.7	171	-62.3	-60.8	0	0	0	113.2
547	N	93.9	Very high	92.4	Very high	44 Å²	44	48.2 Å²	48.2	24%	0.235	28%	0.278	C	S	.	.			trans	-159	150.6	-176.7	53.9	103.4	0	0	0	108.8	K501	K501-N547 WeakPolarHBondContact CD-OD1 3.48Å; K501-N547 WeakPolarHBondContact CE-OD1 3.27Å; K501-N547 WeakPolarHBondContact CG-OD1 3.39Å
548	F	95.5	Very high	90.3	Very high	0 Å²	0	54 Å²	54	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	143	166.7	-50.6	-59	0	0	0	109.6	F159 K501 I502 F538 P540 F543 L545 F565	F159-F548 AromaticContact CE1-CD1 3.83Å; F159-F548 HydrophobicContact CE1-CD1 3.83Å; F159-F548 AromaticContact CE1-CE1 3.47Å; F159-F548 HydrophobicContact CE1-CE1 3.47Å; F159-F548 VanDerWaalsContact CE1-CE1 3.47Å; F159-F548 AromaticContact CE1-CZ 3.94Å; F159-F548 HydrophobicContact CE1-CZ 3.94Å; F159-F548 AromaticContact CZ-CD1 3.87Å; F159-F548 HydrophobicContact CZ-CD1 3.87Å; F159-F548 AromaticContact CZ-CE1 3.98Å; F159-F548 HydrophobicContact CZ-CE1 3.98Å; K501-F548 CarbonylContact C-O 3.56Å; K501-F548 WeakPolarHBondContact CA-O 3.11Å; K501-F548 WeakPolarHBondContact CB-O 3.32Å; I502-F548 HydrophobicContact CD1-CB 4.49Å; I502-F548 HydrophobicContact CD1-CD2 4.27Å; I502-F548 HydrophobicContact CG1-CB 3.89Å; I502-F548 HydrophobicContact CG1-CD2 4.08Å; I502-F548 PolarHBondContact N-O 2.79Å; I502-F548 PolarHBondContact O-N 3.09Å; F538-F548 HydrophobicContact CB-CE2 3.87Å; F538-F548 HydrophobicContact CB-CZ 4.18Å; P540-F548 HydrophobicContact CB-CD1 4.5Å; P540-F548 HydrophobicContact CB-CE1 4.21Å; P540-F548 HydrophobicContact CB-CZ 4.27Å; P540-F548 HydrophobicContact CG-CD1 4.37Å; P540-F548 HydrophobicContact CG-CD2 3.96Å; P540-F548 HydrophobicContact CG-CE1 4.24Å; P540-F548 HydrophobicContact CG-CE2 3.82Å; P540-F548 HydrophobicContact CG-CG 4.24Å; P540-F548 HydrophobicContact CG-CZ 3.97Å; F543-F548 HydrophobicContact CB-CE1 4.15Å; F543-F548 AromaticContact CD2-CE1 3.93Å; F543-F548 HydrophobicContact CD2-CE1 3.93Å; F543-F548 AromaticContact CD2-CZ 3.78Å; F543-F548 HydrophobicContact CD2-CZ 3.78Å; F543-F548 HydrophobicContact CE2-CZ 4.19Å; F543-F548 HydrophobicContact CG-CE1 4.06Å; F543-F548 HydrophobicContact CG-CZ 4.38Å; L545-F548 HydrophobicContact CD1-CD1 3.8Å; L545-F548 HydrophobicContact CD1-CE1 4.01Å; F548-F565 HydrophobicContact CB-CB 3.7Å; F548-F565 HydrophobicContact CD2-CB 4.27Å; F548-F565 HydrophobicContact CD2-CD2 4.18Å; F548-F565 HydrophobicContact CD2-CG 4.44Å; F548-F565 HydrophobicContact CE2-CD2 4.38Å; F548-F565 HydrophobicContact CG-CB 4.07Å
549	K	96	Very high	88.2	Confident	112 Å²	112	63.3 Å²	63.3	49%	0.487	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	147.7	165.2	-67.2	179.5	-179.1	178.4	0	109.2	A563 T564 F565	K549-A563 PolarHBondContact N-O 2.85Å; K549-T564 HydrophobicContact CB-CG2 4.09Å; K549-T564 CarbonylContact O-C 3.41Å; K549-T564 WeakPolarHBondContact O-CA 3.16Å; K549-F565 PolarHBondContact O-N 2.9Å
550	V	96.3	Very high	86.5	Confident	17 Å²	17	66 Å²	66	10%	0.103	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	121.7	173.2	176.2	0	0	0	0	109.9	F499 S500 I502 Q552 V567 L571	F499-V550 WeakPolarHBondContact O-CG2 3.39Å; S500-V550 PolarHBondContact O-N 3.22Å; I502-V550 HydrophobicContact CG2-CG2 3.92Å; V550-Q552 PolarHBondContact O-N 3.22Å; V550-Q552 PolarHBondContact O-NE2 3.05Å; V550-V567 HydrophobicContact CG1-CB 4.21Å; V550-V567 HydrophobicContact CG1-CG2 3.96Å; V550-V567 HydrophobicContact CG2-CG2 4.15Å; V550-L571 HydrophobicContact CG1-CD1 4.37Å; V550-L571 HydrophobicContact CG2-CD1 4.41Å
551	K	93.7	Very high	85.2	Confident	33 Å²	33	69.7 Å²	69.7	14%	0.143	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-61.4	129.1	173.9	176.2	152.2	-156.9	-161.4	0	110.7	K553 F554 A556 E560 F565 P566	K551-K553 WeakPolarHBondContact CE-O 3.36Å; K551-K553 VanDerWaalsContact CG-O 3.31Å; K551-K553 WeakPolarHBondContact CG-O 3.41Å; K551-F554 VanDerWaalsContact CE-O 3.32Å; K551-F554 WeakPolarHBondContact CE-O 3.2Å; K551-F554 PolarHBondContact NZ-O 3.16Å; K551-A556 PolarHBondContact NZ-O 2.7Å; K551-E560 WeakPolarHBondContact CD-OE2 3.18Å; K551-E560 WeakPolarHBondContact CE-OE2 3.49Å; K551-E560 WeakPolarHBondContact CG-OE2 3.46Å; K551-F565 VanDerWaalsContact CB-O 3.3Å; K551-F565 WeakPolarHBondContact CB-O 3.27Å; K551-F565 PolarHBondContact N-O 3Å; K551-P566 HydrophobicContact CD-CB 4.19Å
552	Q	90.3	Very high	83.8	Confident	145 Å²	145	74.6 Å²	74.6	68%	0.678	42%	0.417	S	S	*	.	S	Bend	trans	-74.9	-27.5	-171	-67.2	-64.8	-67.6	0	0	113.8	V550	V550-Q552 PolarHBondContact O-N 3.22Å; V550-Q552 PolarHBondContact O-NE2 3.05Å
553	K	92.1	Very high	83.1	Confident	144 Å²	144	74.5 Å²	74.5	63%	0.626	42%	0.417	S	S	*	.	S	Bend	trans	-143.8	121.7	171.5	-69.1	175.3	-178.3	166.1	0	108.2	T479 K551 F555 A556	T479-K553 WeakPolarHBondContact OG1-CA 3.41Å; K551-K553 WeakPolarHBondContact CE-O 3.36Å; K551-K553 VanDerWaalsContact CG-O 3.31Å; K551-K553 WeakPolarHBondContact CG-O 3.41Å; K553-F555 VanDerWaalsContact C-N 3.27Å; K553-F555 PolarHBondContact O-N 3.38Å; K553-F555 VanDerWaalsContact O-N 3.11Å; K553-A556 HydrophobicContact CB-CB 4.16Å; K553-A556 WeakPolarHBondContact O-CB 3.35Å; K553-A556 PolarHBondContact O-N 3.32Å
554	F	92.8	Very high	83	Confident	13 Å²	13	73.3 Å²	73.3	6%	0.057	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.4	-47.9	-173	-169.4	-80.6	0	0	0	112.9	F161 L163 T479 K551 P566 P568	F161-F554 HydrophobicContact CE1-CE2 4.17Å; L163-F554 HydrophobicContact CB-CZ 4.47Å; L163-F554 HydrophobicContact CD1-CD1 4.23Å; L163-F554 HydrophobicContact CD1-CD2 4.1Å; L163-F554 HydrophobicContact CD1-CE1 3.95Å; L163-F554 HydrophobicContact CD1-CE2 3.77Å; L163-F554 HydrophobicContact CD1-CG 4.32Å; L163-F554 HydrophobicContact CD1-CZ 3.72Å; L163-F554 HydrophobicContact CG-CE1 4.08Å; L163-F554 HydrophobicContact CG-CE2 3.93Å; L163-F554 HydrophobicContact CG-CZ 3.58Å; T479-F554 PolarHBondContact O-N 3.47Å; T479-F554 PolarHBondContact OG1-N 3.45Å; T479-F554 VanDerWaalsContact OG1-N 3.12Å; K551-F554 VanDerWaalsContact CE-O 3.32Å; K551-F554 WeakPolarHBondContact CE-O 3.2Å; K551-F554 PolarHBondContact NZ-O 3.16Å; F554-P566 HydrophobicContact CD2-CB 3.77Å; F554-P566 HydrophobicContact CE2-CB 3.66Å; F554-P566 HydrophobicContact CE2-CG 4.37Å; F554-P566 VanDerWaalsContact CE2-O 3.27Å; F554-P566 WeakPolarHBondContact CE2-O 3.45Å; F554-P566 HydrophobicContact CG-CB 4.39Å; F554-P566 HydrophobicContact CZ-CB 4.15Å; F554-P568 HydrophobicContact CD2-CB 4.14Å; F554-P568 HydrophobicContact CE2-CB 3.99Å
555	F	89.1	Confident	83.1	Confident	44 Å²	44	69.9 Å²	69.9	19%	0.193	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	23.1	-179.6	-54.1	-78.6	0	0	0	114.8	L163 Y173 S175 A177 K553	L163-F555 HydrophobicContact CD1-CZ 4.46Å; Y173-F555 HydrophobicContact CD1-CD2 4.1Å; Y173-F555 HydrophobicContact CD1-CE2 4.49Å; Y173-F555 VanDerWaalsContact O-CE2 3.3Å; Y173-F555 WeakPolarHBondContact O-CE2 3.09Å; Y173-F555 WeakPolarHBondContact O-CZ 3.44Å; S175-F555 WeakPolarHBondContact O-CD1 3.46Å; A177-F555 HydrophobicContact CB-CE1 4.44Å; K553-F555 VanDerWaalsContact C-N 3.27Å; K553-F555 PolarHBondContact O-N 3.38Å; K553-F555 VanDerWaalsContact O-N 3.11Å
556	A	80.3	Confident	83.2	Confident	31 Å²	31	67.7 Å²	67.7	26%	0.256	37%	0.367	S	S	.	.			trans	-65.1	145.2	166.9	0	0	0	0	0	111.2	K551 K553 E560	K551-A556 PolarHBondContact NZ-O 2.7Å; K553-A556 HydrophobicContact CB-CB 4.16Å; K553-A556 WeakPolarHBondContact O-CB 3.35Å; K553-A556 PolarHBondContact O-N 3.32Å; A556-E560 WeakPolarHBondContact CB-OE1 3.46Å
557	G	63.5	Low	83.6	Confident	58 Å²	58	62.3 Å²	62.3	60%	0.598	34%	0.339	S	S	*	.			trans	-72.4	179.2	-171.7	0	0	0	0	0	115.6	Q559	G557-Q559 PolarHBondContact O-N 2.91Å
558	S	54.8	Low	83.8	Confident	122 Å²	122	60.2 Å²	60.2	85%	0.853	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	21.7	-168.8	49.8	0	0	0	0	117
559	Q	55.5	Low	83.9	Confident	196 Å²	196	60.4 Å²	60.4	92%	0.916	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	-4.9	172.2	-69.1	-170	-9.7	0	0	113.5	G557	G557-Q559 PolarHBondContact O-N 2.91Å
560	E	61.5	Low	84	Confident	56 Å²	56	57 Å²	57	26%	0.262	32%	0.315	S	S	.	.	S	Bend	trans	-76.1	141.6	171.7	-69.7	-169.5	-169.6	0	0	111.6	K551 A556 T564	K551-E560 WeakPolarHBondContact CD-OE2 3.18Å; K551-E560 WeakPolarHBondContact CE-OE2 3.49Å; K551-E560 WeakPolarHBondContact CG-OE2 3.46Å; A556-E560 WeakPolarHBondContact CB-OE1 3.46Å; E560-T564 HydrophobicContact CB-CG2 4.39Å; E560-T564 PolarHBondContact OE2-OG1 2.86Å
561	P	68.1	Low	84.1	Confident	81 Å²	81	58.1 Å²	58.1	53%	0.526	32%	0.32	S	S	.	.			trans	-64	142.4	178.4	-20.6	32.4	0	0	0	112.3	A563 T564	P561-A563 PolarHBondContact O-N 2.76Å; P561-T564 PolarHBondContact O-N 2.8Å; P561-T564 PolarHBondContact O-OG1 3.28Å
562	M	67	Low	84.4	Confident	155 Å²	155	60.8 Å²	60.8	76%	0.764	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-12.5	-176.8	-62.3	-172.3	-66.7	0	0	116.2	P158	P158-M562 HydrophobicContact CG-CB 4.19Å; P158-M562 WeakPolarHBondContact CG-O 3.35Å
563	A	82	Confident	84.8	Confident	25 Å²	25	54.8 Å²	54.8	21%	0.207	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86	7.7	175.6	0	0	0	0	0	115.1	L545 K549 P561	L545-A563 HydrophobicContact CD1-CB 3.63Å; L545-A563 HydrophobicContact CD2-CB 4Å; K549-A563 PolarHBondContact N-O 2.85Å; P561-A563 PolarHBondContact O-N 2.76Å
564	T	92.5	Very high	85.1	Confident	22 Å²	22	53.2 Å²	53.2	14%	0.135	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	108.1	176.5	53.2	0	0	0	0	111.9	F159 K549 E560 P561	F159-T564 WeakPolarHBondContact CE2-O 3.24Å; K549-T564 HydrophobicContact CB-CG2 4.09Å; K549-T564 CarbonylContact O-C 3.41Å; K549-T564 WeakPolarHBondContact O-CA 3.16Å; E560-T564 HydrophobicContact CB-CG2 4.39Å; E560-T564 PolarHBondContact OE2-OG1 2.86Å; P561-T564 PolarHBondContact O-N 2.8Å; P561-T564 PolarHBondContact O-OG1 3.28Å
565	F	95.8	Very high	85.4	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	130.8	177.9	-166.3	-85.5	0	0	0	111.4	F159 F161 I502 F505 F538 F548 K549 K551 V567	F159-F565 HydrophobicContact CB-CD2 4.38Å; F159-F565 HydrophobicContact CB-CE2 4.02Å; F159-F565 AromaticContact CD1-CD2 3.72Å; F159-F565 HydrophobicContact CD1-CD2 3.72Å; F159-F565 AromaticContact CD1-CE2 3.93Å; F159-F565 HydrophobicContact CD1-CE2 3.93Å; F159-F565 AromaticContact CD2-CD2 3.93Å; F159-F565 HydrophobicContact CD2-CD2 3.93Å; F159-F565 HydrophobicContact CD2-CE2 4.41Å; F159-F565 AromaticContact CE1-CD2 3.97Å; F159-F565 HydrophobicContact CE1-CD2 3.97Å; F159-F565 HydrophobicContact CE2-CB 4.41Å; F159-F565 HydrophobicContact CE2-CD2 4.17Å; F159-F565 AromaticContact CG-CD2 3.71Å; F159-F565 HydrophobicContact CG-CD2 3.71Å; F159-F565 AromaticContact CG-CE2 3.83Å; F159-F565 HydrophobicContact CG-CE2 3.83Å; F159-F565 HydrophobicContact CZ-CD2 4.19Å; F161-F565 HydrophobicContact CB-CZ 4.43Å; F161-F565 HydrophobicContact CD1-CE1 4.06Å; F161-F565 AromaticContact CD1-CZ 3.96Å; F161-F565 HydrophobicContact CD1-CZ 3.96Å; F161-F565 HydrophobicContact CE1-CE1 4.45Å; F161-F565 HydrophobicContact CG-CZ 4.35Å; I502-F565 HydrophobicContact CD1-CB 3.92Å; I502-F565 HydrophobicContact CD1-CD1 3.83Å; I502-F565 HydrophobicContact CD1-CG 3.92Å; F505-F565 HydrophobicContact CB-CD1 4.38Å; F505-F565 HydrophobicContact CB-CE1 3.95Å; F505-F565 HydrophobicContact CB-CE2 4.32Å; F505-F565 HydrophobicContact CB-CZ 3.92Å; F505-F565 AromaticContact CD1-CE1 3.43Å; F505-F565 HydrophobicContact CD1-CE1 3.43Å; F505-F565 VanDerWaalsContact CD1-CE1 3.43Å; F505-F565 HydrophobicContact CD1-CE2 4.38Å; F505-F565 AromaticContact CD1-CZ 3.33Å; F505-F565 HydrophobicContact CD1-CZ 3.33Å; F505-F565 HydrophobicContact CD2-CD1 4.12Å; F505-F565 AromaticContact CD2-CE1 3.63Å; F505-F565 HydrophobicContact CD2-CE1 3.63Å; F505-F565 HydrophobicContact CD2-CZ 4.33Å; F505-F565 AromaticContact CE1-CE1 3.67Å; F505-F565 HydrophobicContact CE1-CE1 3.67Å; F505-F565 AromaticContact CE1-CZ 3.81Å; F505-F565 HydrophobicContact CE1-CZ 3.81Å; F505-F565 AromaticContact CE2-CE1 3.88Å; F505-F565 HydrophobicContact CE2-CE1 3.88Å; F505-F565 HydrophobicContact CG-CD1 4.12Å; F505-F565 AromaticContact CG-CE1 3.39Å; F505-F565 HydrophobicContact CG-CE1 3.39Å; F505-F565 HydrophobicContact CG-CE2 4.48Å; F505-F565 AromaticContact CG-CZ 3.62Å; F505-F565 HydrophobicContact CG-CZ 3.62Å; F505-F565 AromaticContact CZ-CE1 3.88Å; F505-F565 HydrophobicContact CZ-CE1 3.88Å; F505-F565 HydrophobicContact CZ-CZ 4.48Å; F538-F565 HydrophobicContact CB-CE2 4.04Å; F538-F565 AromaticContact CD1-CE2 3.88Å; F538-F565 HydrophobicContact CD1-CE2 3.88Å; F538-F565 AromaticContact CD2-CE2 3.84Å; F538-F565 HydrophobicContact CD2-CE2 3.84Å; F538-F565 AromaticContact CD2-CZ 3.89Å; F538-F565 HydrophobicContact CD2-CZ 3.89Å; F538-F565 HydrophobicContact CE1-CE2 4.3Å; F538-F565 HydrophobicContact CE2-CE2 4.25Å; F538-F565 HydrophobicContact CE2-CZ 4.09Å; F538-F565 AromaticContact CG-CE2 3.63Å; F538-F565 HydrophobicContact CG-CE2 3.63Å; F538-F565 HydrophobicContact CG-CZ 4.18Å; F538-F565 HydrophobicContact CZ-CE2 4.47Å; F548-F565 HydrophobicContact CB-CB 3.7Å; F548-F565 HydrophobicContact CD2-CB 4.27Å; F548-F565 HydrophobicContact CD2-CD2 4.18Å; F548-F565 HydrophobicContact CD2-CG 4.44Å; F548-F565 HydrophobicContact CE2-CD2 4.38Å; F548-F565 HydrophobicContact CG-CB 4.07Å; K549-F565 PolarHBondContact O-N 2.9Å; K551-F565 VanDerWaalsContact CB-O 3.3Å; K551-F565 WeakPolarHBondContact CB-O 3.27Å; K551-F565 PolarHBondContact N-O 3Å; F565-V567 HydrophobicContact CD1-CG2 4.17Å; F565-V567 PolarHBondContact O-N 2.88Å
566	P	95.9	Very high	85.8	Confident	9 Å²	9	56.3 Å²	56.3	6%	0.058	33%	0.326	C	S	.	.			trans	-80.1	84.7	179.9	32.7	-33.6	0	0	0	111.6	F161 K551 F554	F161-P566 HydrophobicContact CD1-CG 4.26Å; K551-P566 HydrophobicContact CD-CB 4.19Å; F554-P566 HydrophobicContact CD2-CB 3.77Å; F554-P566 HydrophobicContact CE2-CB 3.66Å; F554-P566 HydrophobicContact CE2-CG 4.37Å; F554-P566 VanDerWaalsContact CE2-O 3.27Å; F554-P566 WeakPolarHBondContact CE2-O 3.45Å; F554-P566 HydrophobicContact CG-CB 4.39Å; F554-P566 HydrophobicContact CZ-CB 4.15Å
567	V	98.3	Very high	86.7	Confident	2 Å²	2	56.4 Å²	56.4	1%	0.012	33%	0.33	C	S	.	.			trans	-67.9	129.2	170.8	-178.2	0	0	0	0	109.1	M493 I502 V550 F565 Y569 L571	M493-V567 HydrophobicContact CE-CG1 4Å; M493-V567 HydrophobicContact SD-CG1 4.09Å; M493-V567 HydrophobicContact SD-CG2 4.25Å; I502-V567 HydrophobicContact CD1-CG2 4.16Å; V550-V567 HydrophobicContact CG1-CB 4.21Å; V550-V567 HydrophobicContact CG1-CG2 3.96Å; V550-V567 HydrophobicContact CG2-CG2 4.15Å; F565-V567 HydrophobicContact CD1-CG2 4.17Å; F565-V567 PolarHBondContact O-N 2.88Å; V567-Y569 HydrophobicContact CG1-CD2 4.28Å; V567-Y569 HydrophobicContact CG1-CE2 4.08Å; V567-L571 HydrophobicContact CG1-CD1 4.21Å
568	P	98.2	Very high	88.2	Confident	0 Å²	0	59 Å²	59	0%	0	34%	0.34	C	S	.	.	S	Bend	trans	-87.9	-8.3	-166.4	32.9	-34.6	0	0	0	115.7	F161 L163 S480 I489 F554	F161-P568 HydrophobicContact CE1-CG 4.23Å; F161-P568 HydrophobicContact CZ-CG 4.27Å; L163-P568 HydrophobicContact CD1-CB 3.77Å; L163-P568 HydrophobicContact CD2-CB 3.74Å; L163-P568 HydrophobicContact CD2-CG 4.48Å; L163-P568 HydrophobicContact CG-CB 4.23Å; S480-P568 WeakPolarHBondContact CB-O 3.41Å; S480-P568 PolarHBondContact OG-O 2.94Å; I489-P568 HydrophobicContact CD1-CG 4.3Å; F554-P568 HydrophobicContact CD2-CB 4.14Å; F554-P568 HydrophobicContact CE2-CB 3.99Å
569	Y	98.8	Very high	90.3	Very high	4 Å²	4	62.5 Å²	62.5	2%	0.016	34%	0.339	C	S	.	.	S	Bend	trans	-131.5	166.7	179.1	48	-100.2	0	0	0	110.5	V390 Q392 I435 W475 S476 T491 M493 V567 L571	V390-Y569 HydrophobicContact CG1-CE2 4.4Å; Q392-Y569 HydrophobicContact CB-CE1 4.23Å; Q392-Y569 HydrophobicContact CG-CE1 4.22Å; I435-Y569 HydrophobicContact CD1-CD2 3.74Å; I435-Y569 HydrophobicContact CD1-CE2 3.6Å; W475-Y569 HydrophobicContact CH2-CD1 4.07Å; W475-Y569 HydrophobicContact CH2-CG 4.43Å; W475-Y569 AromaticContact CZ3-CD1 3.69Å; W475-Y569 HydrophobicContact CZ3-CD1 3.69Å; W475-Y569 AromaticContact CZ3-CG 3.97Å; W475-Y569 HydrophobicContact CZ3-CG 3.97Å; S476-Y569 VanDerWaalsContact O-CB 3.26Å; S476-Y569 WeakPolarHBondContact O-CB 3.47Å; T491-Y569 HydrophobicContact CG2-CE1 4.38Å; T491-Y569 WeakPolarHBondContact OG1-CE1 3.48Å; T491-Y569 PolarHBondContact OG1-OH 3.13Å; M493-Y569 HydrophobicContact CE-CE2 3.55Å; M493-Y569 WeakPolarHBondContact CE-OH 3.36Å; V567-Y569 HydrophobicContact CG1-CD2 4.28Å; V567-Y569 HydrophobicContact CG1-CE2 4.08Å; Y569-L571 HydrophobicContact CE2-CD2 4.29Å
570	D	98.7	Very high	92.3	Very high	39 Å²	39	54.6 Å²	54.6	21%	0.209	30%	0.303	C	S	.	.			trans	-76.1	153.4	-170.2	-53.5	-42.1	0	0	0	112.7	S476 A477 E478 T479	S476-D570 WeakPolarHBondContact CB-OD2 3.44Å; S476-D570 PolarHBondContact O-N 3.48Å; S476-D570 PolarHBondContact OG-OD2 3.45Å; A477-D570 WeakPolarHBondContact CA-OD2 3.43Å; A477-D570 PolarHBondContact N-OD2 3.12Å; E478-D570 VanDerWaalsContact N-CG 3.31Å; E478-D570 PolarHBondContact N-OD1 3.24Å; E478-D570 PolarHBondContact N-OD2 3.34Å; T479-D570 WeakPolarHBondContact CB-OD1 3.49Å; T479-D570 WeakPolarHBondContact CG2-OD1 3.34Å; T479-D570 PolarHBondContact N-OD1 2.91Å
571	L	98.4	Very high	94.1	Very high	42 Å²	42	58.7 Å²	58.7	22%	0.22	32%	0.316	C	S	.	.	S	Bend	trans	-136.3	143.8	175.3	-63.6	175.8	0	0	0	110.5	M493 F499 V550 V567 Y569 P573	M493-L571 HydrophobicContact CE-CD1 3.69Å; M493-L571 HydrophobicContact CE-CD2 3.57Å; M493-L571 HydrophobicContact CE-CG 4.14Å; F499-L571 HydrophobicContact CB-CB 3.9Å; F499-L571 HydrophobicContact CB-CD1 4.28Å; F499-L571 HydrophobicContact CD1-CB 4.02Å; F499-L571 HydrophobicContact CD1-CD1 4.21Å; F499-L571 HydrophobicContact CD1-CD2 3.95Å; F499-L571 HydrophobicContact CD1-CG 4.29Å; F499-L571 HydrophobicContact CE1-CD2 4.37Å; F499-L571 HydrophobicContact CG-CB 4.21Å; V550-L571 HydrophobicContact CG1-CD1 4.37Å; V550-L571 HydrophobicContact CG2-CD1 4.41Å; V567-L571 HydrophobicContact CG1-CD1 4.21Å; Y569-L571 HydrophobicContact CE2-CD2 4.29Å; L571-P573 HydrophobicContact CD2-CG 3.95Å
572	P	98.5	Very high	95.5	Very high	89 Å²	89	55 Å²	55	58%	0.578	29%	0.292	S	S	*	.	S	Bend	cis	-65.4	152.5	-5	29.8	-37.1	0	0	0	112.5	F499	F499-P572 HydrophobicContact CD2-CB 3.85Å; F499-P572 HydrophobicContact CE1-CB 4.32Å; F499-P572 HydrophobicContact CE2-CB 3.59Å; F499-P572 HydrophobicContact CG-CB 4.33Å; F499-P572 HydrophobicContact CZ-CB 3.81Å
573	P	98.7	Very high	97	Very high	18 Å²	18	47.6 Å²	47.6	12%	0.117	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-62.3	138.1	175	-20.6	33.5	0	0	0	111.5	V390 I435 H473 L571	V390-P573 HydrophobicContact CG2-CG 4.37Å; I435-P573 HydrophobicContact CD1-CB 4.11Å; I435-P573 HydrophobicContact CD1-CG 4.02Å; I435-P573 HydrophobicContact CG1-CB 4.08Å; I435-P573 HydrophobicContact CG1-CG 4.35Å; H473-P573 HydrophobicContact CB-CB 3.77Å; H473-P573 PolarHBondContact CD2-O 2.67Å; L571-P573 HydrophobicContact CD2-CG 3.95Å
574	E	98.7	Very high	97.8	Very high	112 Å²	112	47 Å²	47	52%	0.523	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-83.2	122.4	176.3	-162.1	-157.9	153.9	0	0	110.7	H473 K474	H473-E574 CarbonylContact C-O 3.48Å; H473-E574 WeakPolarHBondContact CA-O 3.28Å; H473-E574 VanDerWaalsContact CB-O 3.27Å; H473-E574 WeakPolarHBondContact CB-O 3.48Å; K474-E574 WeakPolarHBondContact CD-OE2 3.42Å; K474-E574 PolarHBondContact N-O 2.66Å; K474-E574 VanDerWaalsContact NZ-CD 3.28Å; K474-E574 IonicContact NZ-OE1 2.63Å; K474-E574 PolarHBondContact NZ-OE1 2.54Å; K474-E574 IonicContact NZ-OE2 3.83Å; K474-E574 PolarHBondContact NZ-OE2 3.29Å
575	L	98.8	Very high	98.1	Very high	94 Å²	94	49 Å²	49	49%	0.492	25%	0.254	S	S	.	.	B	Isolated β-bridge	trans	-62.1	148.5	175.4	-171.3	71	0	0	0	111	H473 G577	H473-L575 PolarHBondContact CD2-N 2.84Å; H473-L575 VanDerWaalsContact CE1-CD1 3.46Å; H473-L575 WeakPolarHBondContact CE1-CD1 3.21Å; L575-G577 PolarHBondContact O-N 3.35Å
576	Y	98.7	Very high	98.2	Very high	27 Å²	27	50.9 Å²	50.9	11%	0.106	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-54.4	134.7	169.2	-83.5	19.6	0	0	0	112	Y436 P437 S438 F472 K474 D580 P582	Y436-Y576 WeakPolarHBondContact O-CE1 3.34Å; Y436-Y576 PolarHBondContact O-OH 3.29Å; P437-Y576 PolarHBondContact O-OH 2.87Å; S438-Y576 PolarHBondContact N-OH 2.68Å; F472-Y576 HydrophobicContact CB-CD1 4.14Å; F472-Y576 HydrophobicContact CB-CD2 3.83Å; F472-Y576 HydrophobicContact CB-CE1 3.93Å; F472-Y576 HydrophobicContact CB-CE2 3.59Å; F472-Y576 HydrophobicContact CB-CG 4.09Å; F472-Y576 AromaticContact CD2-CE2 3.94Å; F472-Y576 HydrophobicContact CD2-CE2 3.94Å; F472-Y576 HydrophobicContact CG-CE2 4.3Å; F472-Y576 WeakPolarHBondContact O-CB 3.35Å; F472-Y576 VanDerWaalsContact O-CD1 3.3Å; F472-Y576 WeakPolarHBondContact O-CD1 3.41Å; F472-Y576 PolarHBondContact O-N 3.13Å; K474-Y576 HydrophobicContact CG-CD1 3.86Å; K474-Y576 HydrophobicContact CG-CE1 4.26Å; Y576-D580 HydrophobicContact CD1-CB 4.42Å; Y576-D580 HydrophobicContact CD2-CB 3.9Å; Y576-D580 HydrophobicContact CG-CB 3.77Å; Y576-P582 HydrophobicContact CE2-CB 4.3Å
577	G	97.8	Very high	98.3	Very high	33 Å²	33	52.7 Å²	52.7	34%	0.34	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-72.7	164.6	169.3	0	0	0	0	0	111.7	L575 K579 D580	L575-G577 PolarHBondContact O-N 3.35Å; G577-K579 PolarHBondContact O-N 2.87Å; G577-D580 WeakPolarHBondContact CA-OD2 3.38Å; G577-D580 PolarHBondContact N-OD2 3.44Å; G577-D580 WeakPolarHBondContact O-CB 3.11Å; G577-D580 PolarHBondContact O-N 2.91Å
578	S	96.7	Very high	98.3	Very high	114 Å²	114	56.5 Å²	56.5	80%	0.797	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-20.7	-178.1	58.3	0	0	0	0	114.9	R581	S578-R581 PolarHBondContact O-NH1 3Å
579	K	97.2	Very high	98.4	Very high	194 Å²	194	57.9 Å²	57.9	84%	0.843	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-19	174.9	-63.3	-177.3	-178.1	178.1	0	114.1	G577	G577-K579 PolarHBondContact O-N 2.87Å
580	D	98.3	Very high	98.3	Very high	30 Å²	30	61.7 Å²	61.7	16%	0.16	33%	0.326	C	S	.	.			trans	-64.9	146.1	177.1	-79	-75.5	0	0	0	110.5	S438 K474 Y576 G577	S438-D580 VanDerWaalsContact CB-OD1 3.29Å; S438-D580 WeakPolarHBondContact CB-OD1 3.38Å; S438-D580 PolarHBondContact OG-OD1 2.97Å; K474-D580 WeakPolarHBondContact CE-OD2 3.47Å; K474-D580 IonicContact NZ-OD2 2.66Å; Y576-D580 HydrophobicContact CD1-CB 4.42Å; Y576-D580 HydrophobicContact CD2-CB 3.9Å; Y576-D580 HydrophobicContact CG-CB 3.77Å; G577-D580 WeakPolarHBondContact CA-OD2 3.38Å; G577-D580 PolarHBondContact N-OD2 3.44Å; G577-D580 WeakPolarHBondContact O-CB 3.11Å; G577-D580 PolarHBondContact O-N 2.91Å
581	R	98.3	Very high	98.3	Very high	143 Å²	143	69.7 Å²	69.7	54%	0.54	36%	0.359	S	S	.	.			trans	-135.7	149.8	172.2	-64.1	-63.4	179.7	-89.6	3.5	107.7	S438 V439 S578	S438-R581 CarbonylContact C-O 3.18Å; S438-R581 WeakPolarHBondContact CA-O 3.25Å; S438-R581 WeakPolarHBondContact CB-O 3.43Å; V439-R581 HydrophobicContact CG2-CB 4.18Å; V439-R581 PolarHBondContact N-O 2.67Å; S578-R581 PolarHBondContact O-NH1 3Å
582	P	98.7	Very high	98.3	Very high	3 Å²	3	69.4 Å²	69.4	2%	0.019	36%	0.363	C	S	.	.	B	Isolated β-bridge	trans	-60.1	148.7	172.2	25	-32.3	0	0	0	109.8	Y436 V439 Y457 F472 Y576 I584	Y436-P582 HydrophobicContact CD1-CB 3.91Å; Y436-P582 HydrophobicContact CE1-CB 3.8Å; V439-P582 WeakPolarHBondContact CG2-O 3.25Å; Y457-P582 HydrophobicContact CD1-CB 4.33Å; Y457-P582 HydrophobicContact CE1-CB 4.29Å; Y457-P582 HydrophobicContact CE1-CG 4.3Å; F472-P582 HydrophobicContact CD2-CB 3.87Å; F472-P582 HydrophobicContact CD2-CG 4.28Å; F472-P582 HydrophobicContact CE2-CB 3.78Å; F472-P582 HydrophobicContact CE2-CG 4.16Å; Y576-P582 HydrophobicContact CE2-CB 4.3Å; P582-I584 HydrophobicContact CG-CD1 4.49Å; P582-I584 HydrophobicContact CG-CG1 4.47Å; P582-I584 PolarHBondContact O-N 3.4Å
583	W	98.8	Very high	98.3	Very high	0 Å²	0	68 Å²	68	0%	0	35%	0.353	C	S	.	.			trans	-58.9	131	162.1	176.6	-100.1	0	0	0	110.8	Y436 P437 V442 Y449 G452 L455 W585 Y589 W600	Y436-W583 HydrophobicContact CE1-CB 4.1Å; Y436-W583 VanDerWaalsContact CE1-O 3.32Å; Y436-W583 WeakPolarHBondContact CE1-O 3.35Å; Y436-W583 PolarHBondContact OH-O 3.45Å; P437-W583 PolarHBondContact O-N 3.45Å; V442-W583 HydrophobicContact CB-CD2 4.25Å; V442-W583 HydrophobicContact CB-CE3 3.77Å; V442-W583 HydrophobicContact CB-CZ3 4.23Å; V442-W583 HydrophobicContact CG1-CD2 4.07Å; V442-W583 HydrophobicContact CG1-CE3 3.69Å; V442-W583 HydrophobicContact CG1-CH2 4.23Å; V442-W583 HydrophobicContact CG1-CZ3 3.78Å; V442-W583 HydrophobicContact CG2-CB 3.89Å; V442-W583 HydrophobicContact CG2-CD2 3.97Å; V442-W583 HydrophobicContact CG2-CE3 3.96Å; V442-W583 HydrophobicContact CG2-CG 3.93Å; Y449-W583 AromaticContact CD1-CH2 3.86Å; Y449-W583 HydrophobicContact CD1-CH2 3.86Å; Y449-W583 AromaticContact CD1-CZ3 3.52Å; Y449-W583 HydrophobicContact CD1-CZ3 3.52Å; Y449-W583 AromaticContact CE1-CZ3 3.88Å; Y449-W583 HydrophobicContact CE1-CZ3 3.88Å; G452-W583 VanDerWaalsContact CA-CZ2 3.47Å; G452-W583 VanDerWaalsContact CA-NE1 3.27Å; G452-W583 PolarHBondContact O-NE1 2.87Å; L455-W583 VanDerWaalsContact CB-CD1 3.43Å; L455-W583 HydrophobicContact CB-CG 4.31Å; L455-W583 HydrophobicContact CD1-CG 4.39Å; W583-W585 HydrophobicContact CZ2-CB 4.47Å; W583-Y589 HydrophobicContact CD2-CE2 4.22Å; W583-Y589 HydrophobicContact CE3-CD2 4.09Å; W583-Y589 AromaticContact CE3-CE2 3.53Å; W583-Y589 HydrophobicContact CE3-CE2 3.53Å; W583-Y589 AromaticContact CH2-CD2 3.61Å; W583-Y589 HydrophobicContact CH2-CD2 3.61Å; W583-Y589 AromaticContact CH2-CE2 3.56Å; W583-Y589 HydrophobicContact CH2-CE2 3.56Å; W583-Y589 HydrophobicContact CZ2-CE2 4.22Å; W583-Y589 AromaticContact CZ3-CD2 3.28Å; W583-Y589 HydrophobicContact CZ3-CD2 3.28Å; W583-Y589 AromaticContact CZ3-CE2 3.15Å; W583-Y589 HydrophobicContact CZ3-CE2 3.15Å; W583-Y589 HydrophobicContact CZ3-CG 4.33Å; W583-W600 HydrophobicContact CH2-CB 4.28Å; W583-W600 AromaticContact CH2-CD1 3.59Å; W583-W600 AromaticContact CH2-CD2 3.86Å; W583-W600 HydrophobicContact CH2-CD2 3.86Å; W583-W600 AromaticContact CH2-CE2 3.91Å; W583-W600 AromaticContact CH2-CG 3.67Å; W583-W600 HydrophobicContact CH2-CG 3.67Å; W583-W600 AromaticContact CH2-NE1 3.73Å; W583-W600 HydrophobicContact CZ2-CD2 4.17Å; W583-W600 AromaticContact CZ2-CE2 3.76Å; W583-W600 HydrophobicContact CZ2-CG 4.34Å; W583-W600 HydrophobicContact CZ2-CZ2 4.17Å; W583-W600 AromaticContact CZ2-NE1 3.69Å
584	I	98.8	Very high	98.3	Very high	11 Å²	11	67.6 Å²	67.6	6%	0.056	35%	0.35	C	S	.	.			trans	-129.9	112.9	175.4	-63.8	176.6	0	0	0	106.8	Y457 I459 A462 P582 N586 I587 Y589	Y457-I584 HydrophobicContact CD1-CG1 4.25Å; Y457-I584 WeakPolarHBondContact O-CA 3.48Å; I459-I584 HydrophobicContact CB-CG2 3.79Å; I459-I584 HydrophobicContact CD1-CD1 3.93Å; I459-I584 HydrophobicContact CD1-CG2 4.3Å; A462-I584 HydrophobicContact CB-CD1 3.77Å; A462-I584 HydrophobicContact CB-CG1 4.36Å; P582-I584 HydrophobicContact CG-CD1 4.49Å; P582-I584 HydrophobicContact CG-CG1 4.47Å; P582-I584 PolarHBondContact O-N 3.4Å; I584-N586 VanDerWaalsContact C-N 3.34Å; I584-N586 PolarHBondContact O-N 3Å; I584-I587 HydrophobicContact CB-CD1 3.94Å; I584-I587 HydrophobicContact CB-CG1 3.98Å; I584-I587 HydrophobicContact CD1-CD1 4.35Å; I584-I587 HydrophobicContact CG2-CD1 4.1Å; I584-I587 HydrophobicContact CG2-CG1 3.94Å; I584-I587 HydrophobicContact CG2-CG2 4.28Å; I584-Y589 PolarHBondContact N-OH 2.55Å; I584-Y589 WeakPolarHBondContact O-CE2 3.17Å; I584-Y589 PolarHBondContact O-OH 3.2Å
585	W	98.4	Very high	98.3	Very high	66 Å²	66	66 Å²	66	25%	0.25	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-24.4	-162.1	78.7	-86	0	0	0	114.2	L85 Y457 W583 W600	L85-W585 HydrophobicContact CD1-CD2 4.11Å; L85-W585 VanDerWaalsContact CD1-CE2 3.47Å; L85-W585 HydrophobicContact CD1-CH2 3.91Å; L85-W585 HydrophobicContact CD1-CZ2 3.37Å; L85-W585 HydrophobicContact CD1-CZ3 4.46Å; Y457-W585 VanDerWaalsContact O-CD1 3.29Å; Y457-W585 PolarHBondContact O-N 3.24Å; Y457-W585 VanDerWaalsContact O-N 3.09Å; W583-W585 HydrophobicContact CZ2-CB 4.47Å; W585-W600 WeakPolarHBondContact O-CZ2 3.26Å; W585-W600 PolarHBondContact O-NE1 3.19Å
586	N	98.2	Very high	98.3	Very high	39 Å²	39	66.8 Å²	66.8	21%	0.209	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	34.9	-175.2	67	-22.9	0	0	0	114.2	S458 I459 Q460 I584	S458-N586 VanDerWaalsContact CA-OD1 3.3Å; S458-N586 WeakPolarHBondContact CA-OD1 3.22Å; I459-N586 PolarHBondContact N-OD1 2.61Å; Q460-N586 PolarHBondContact OE1-ND2 2.91Å; I584-N586 VanDerWaalsContact C-N 3.34Å; I584-N586 PolarHBondContact O-N 3Å
587	I	98.3	Very high	98.3	Very high	47 Å²	47	68 Å²	68	24%	0.241	37%	0.371	C	S	.	.	S	Bend	trans	-129.5	149.6	164.6	61.2	174.1	0	0	0	110.4	I459 I584 Y589	I459-I587 HydrophobicContact CB-CG2 3.73Å; I459-I587 HydrophobicContact CD1-CG2 4.2Å; I459-I587 HydrophobicContact CG1-CG2 3.88Å; I459-I587 HydrophobicContact CG2-CG2 3.99Å; I584-I587 HydrophobicContact CB-CD1 3.94Å; I584-I587 HydrophobicContact CB-CG1 3.98Å; I584-I587 HydrophobicContact CD1-CD1 4.35Å; I584-I587 HydrophobicContact CG2-CD1 4.1Å; I584-I587 HydrophobicContact CG2-CG1 3.94Å; I584-I587 HydrophobicContact CG2-CG2 4.28Å; I587-Y589 HydrophobicContact CD1-CE1 4.19Å; I587-Y589 HydrophobicContact CG1-CE1 4.31Å; I587-Y589 HydrophobicContact CG1-CE2 4.2Å
588	P	98.4	Very high	98.3	Very high	81 Å²	81	70.8 Å²	70.8	53%	0.526	38%	0.378	S	S	.	.			trans	-76.6	138.9	-177.5	29.4	-35	0	0	0	113.4	V590 W600	P588-V590 HydrophobicContact CB-CG1 4.27Å; P588-W600 CarbonylContact C-O 3.56Å; P588-W600 VanDerWaalsContact CA-O 3.24Å; P588-W600 WeakPolarHBondContact CA-O 3.12Å
589	Y	98.5	Very high	98.4	Very high	30 Å²	30	69.4 Å²	69.4	12%	0.118	36%	0.36	C	S	.	.	B	Isolated β-bridge	trans	-116.9	94.5	170.3	-57	-74.5	0	0	0	109.8	V439 Y449 W583 I584 I587 W600	V439-Y589 HydrophobicContact CB-CE1 4.28Å; V439-Y589 HydrophobicContact CG1-CD1 3.65Å; V439-Y589 HydrophobicContact CG1-CE1 3.68Å; V439-Y589 HydrophobicContact CG1-CG 4.14Å; V439-Y589 HydrophobicContact CG2-CD1 4.33Å; V439-Y589 HydrophobicContact CG2-CE1 3.49Å; V439-Y589 VanDerWaalsContact CG2-CE1 3.49Å; V439-Y589 WeakPolarHBondContact CG2-OH 3.43Å; Y449-Y589 HydrophobicContact CE1-CD2 4.28Å; Y449-Y589 HydrophobicContact CE1-CG 4.23Å; Y449-Y589 WeakPolarHBondContact OH-CB 3.45Å; W583-Y589 HydrophobicContact CD2-CE2 4.22Å; W583-Y589 HydrophobicContact CE3-CD2 4.09Å; W583-Y589 AromaticContact CE3-CE2 3.53Å; W583-Y589 HydrophobicContact CE3-CE2 3.53Å; W583-Y589 AromaticContact CH2-CD2 3.61Å; W583-Y589 HydrophobicContact CH2-CD2 3.61Å; W583-Y589 AromaticContact CH2-CE2 3.56Å; W583-Y589 HydrophobicContact CH2-CE2 3.56Å; W583-Y589 HydrophobicContact CZ2-CE2 4.22Å; W583-Y589 AromaticContact CZ3-CD2 3.28Å; W583-Y589 HydrophobicContact CZ3-CD2 3.28Å; W583-Y589 AromaticContact CZ3-CE2 3.15Å; W583-Y589 HydrophobicContact CZ3-CE2 3.15Å; W583-Y589 HydrophobicContact CZ3-CG 4.33Å; I584-Y589 PolarHBondContact N-OH 2.55Å; I584-Y589 WeakPolarHBondContact O-CE2 3.17Å; I584-Y589 PolarHBondContact O-OH 3.2Å; I587-Y589 HydrophobicContact CD1-CE1 4.19Å; I587-Y589 HydrophobicContact CG1-CE1 4.31Å; I587-Y589 HydrophobicContact CG1-CE2 4.2Å; Y589-W600 HydrophobicContact CD2-CB 4.03Å; Y589-W600 AromaticContact CD2-CD1 3.62Å; Y589-W600 HydrophobicContact CD2-CG 4.13Å; Y589-W600 PolarHBondContact N-O 2.92Å; Y589-W600 PolarHBondContact O-N 2.63Å
590	V	98.4	Very high	98.4	Very high	83 Å²	83	62.4 Å²	62.4	50%	0.503	33%	0.328	S	S	.	.			trans	-116.9	10.5	-172.5	-62.3	0	0	0	0	114	P588 M599 V601	P588-V590 HydrophobicContact CB-CG1 4.27Å; V590-M599 VanDerWaalsContact C-SD 3.59Å; V590-M599 HydrophobicContact CG1-CB 4.24Å; V590-V601 HydrophobicContact CG1-CG2 3.77Å
591	K	97.8	Very high	98.4	Very high	208 Å²	208	65.8 Å²	65.8	90%	0.904	35%	0.349	S	S	*	.	S	Bend	trans	-94.2	-20.2	-172.3	-67.2	-174.5	179.7	178.9	0	114.6
592	A	98.3	Very high	98.1	Very high	36 Å²	36	60.3 Å²	60.3	30%	0.298	33%	0.332	S	S	.	.	S	Bend	trans	-155.7	138.1	176.6	0	0	0	0	0	107.7	Y449 M599	Y449-A592 PolarHBondContact OH-O 3.2Å; A592-M599 VanDerWaalsContact C-SD 3.59Å
593	P	98.6	Very high	97.3	Very high	58 Å²	58	69.4 Å²	69.4	38%	0.377	40%	0.396	S	S	.	.			trans	-69.7	161.1	178.9	29.7	-35.1	0	0	0	111.9	R443 N598 M599	R443-P593 WeakPolarHBondContact CD-O 3.19Å; R443-P593 WeakPolarHBondContact CG-O 3.5Å; R443-P593 PolarHBondContact NH1-O 2.73Å; P593-N598 CarbonylContact C-O 3.5Å; P593-N598 VanDerWaalsContact CA-O 3.25Å; P593-N598 WeakPolarHBondContact CA-O 3.38Å; P593-M599 HydrophobicContact CB-CE 4.28Å
594	D	98.8	Very high	97.2	Very high	10 Å²	10	72.9 Å²	72.9	5%	0.053	42%	0.416	C	S	.	.			trans	-80	-178.1	167.9	68.8	16.1	0	0	0	113.5	R443 Y449 H596 G597 N598	R443-D594 HydrophobicContact CG-CB 4.23Å; R443-D594 VanDerWaalsContact O-CA 3.29Å; R443-D594 WeakPolarHBondContact O-CA 3.09Å; R443-D594 WeakPolarHBondContact O-CB 3.41Å; Y449-D594 HydrophobicContact CD2-CB 3.6Å; Y449-D594 HydrophobicContact CE2-CB 4.04Å; Y449-D594 HydrophobicContact CG-CB 3.99Å; Y449-D594 PolarHBondContact N-OD2 3.31Å; D594-H596 PolarHBondContact O-N 2.93Å; D594-H596 WeakPolarHBondContact OD1-CA 3.41Å; D594-H596 PolarHBondContact OD1-N 3.36Å; D594-G597 PolarHBondContact O-N 2.78Å; D594-G597 PolarHBondContact OD1-N 3.37Å; D594-G597 VanDerWaalsContact OD1-N 3.14Å; D594-N598 PolarHBondContact N-O 2.96Å; D594-N598 PolarHBondContact OD1-N 3.23Å
595	T	98.6	Very high	97.1	Very high	80 Å²	80	76.1 Å²	76.1	49%	0.491	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.2	-27.9	173.1	-54.2	0	0	0	0	114.4	R443 S445	R443-T595 PolarHBondContact O-N 3.42Å; R443-T595 VanDerWaalsContact O-N 3.13Å; R443-T595 PolarHBondContact O-OG1 2.89Å; S445-T595 WeakPolarHBondContact O-CB 3.45Å; S445-T595 PolarHBondContact O-OG1 2.92Å
596	H	98.4	Very high	97	Very high	109 Å²	109	76.7 Å²	76.7	51%	0.505	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	7.8	-176.3	-60.8	-66.2	0	0	0	113.1	L446 E447 D594 N598	L446-H596 PolarHBondContact O-NE2 3.41Å; E447-H596 PolarHBondContact O-CD2 3.16Å; D594-H596 PolarHBondContact O-N 2.93Å; D594-H596 WeakPolarHBondContact OD1-CA 3.41Å; D594-H596 PolarHBondContact OD1-N 3.36Å; H596-N598 VanDerWaalsContact C-N 3.34Å; H596-N598 WeakPolarHBondContact CB-ND2 3.47Å; H596-N598 PolarHBondContact O-ND2 2.66Å
597	G	98.4	Very high	96.9	Very high	54 Å²	54	78.9 Å²	78.9	56%	0.557	46%	0.459	S	S	*	.	S	Bend	trans	84	3.1	-179.5	0	0	0	0	0	114.7	D594	D594-G597 PolarHBondContact O-N 2.78Å; D594-G597 PolarHBondContact OD1-N 3.37Å; D594-G597 VanDerWaalsContact OD1-N 3.14Å
598	N	98.4	Very high	96.9	Very high	90 Å²	90	80.9 Å²	80.9	48%	0.481	47%	0.472	S	S	.	.			trans	-92.9	160.3	-172	-61.1	-65.1	0	0	0	112.7	P593 D594 H596	P593-N598 CarbonylContact C-O 3.5Å; P593-N598 VanDerWaalsContact CA-O 3.25Å; P593-N598 WeakPolarHBondContact CA-O 3.38Å; D594-N598 PolarHBondContact N-O 2.96Å; D594-N598 PolarHBondContact OD1-N 3.23Å; H596-N598 VanDerWaalsContact C-N 3.34Å; H596-N598 WeakPolarHBondContact CB-ND2 3.47Å; H596-N598 PolarHBondContact O-ND2 2.66Å
599	M	98.4	Very high	96.8	Very high	85 Å²	85	80.9 Å²	80.9	42%	0.419	47%	0.469	S	S	.	.			trans	-107.7	151.1	168.9	-61.2	-64.2	-178.3	0	0	109.4	V590 A592 P593	V590-M599 VanDerWaalsContact C-SD 3.59Å; V590-M599 HydrophobicContact CG1-CB 4.24Å; A592-M599 VanDerWaalsContact C-SD 3.59Å; P593-M599 HydrophobicContact CB-CE 4.28Å
600	W	98.3	Very high	96.6	Very high	48 Å²	48	84.5 Å²	84.5	18%	0.182	49%	0.494	C	S	.	.	B	Isolated β-bridge	trans	-89.4	119.9	172.4	-172.6	-113	0	0	0	110.3	Y449 W583 W585 P588 Y589 P602	Y449-W600 HydrophobicContact CD1-CB 4.06Å; Y449-W600 HydrophobicContact CD2-CB 3.88Å; Y449-W600 HydrophobicContact CE2-CB 4.39Å; Y449-W600 HydrophobicContact CG-CB 3.69Å; W583-W600 HydrophobicContact CH2-CB 4.28Å; W583-W600 AromaticContact CH2-CD1 3.59Å; W583-W600 AromaticContact CH2-CD2 3.86Å; W583-W600 HydrophobicContact CH2-CD2 3.86Å; W583-W600 AromaticContact CH2-CE2 3.91Å; W583-W600 AromaticContact CH2-CG 3.67Å; W583-W600 HydrophobicContact CH2-CG 3.67Å; W583-W600 AromaticContact CH2-NE1 3.73Å; W583-W600 HydrophobicContact CZ2-CD2 4.17Å; W583-W600 AromaticContact CZ2-CE2 3.76Å; W583-W600 HydrophobicContact CZ2-CG 4.34Å; W583-W600 HydrophobicContact CZ2-CZ2 4.17Å; W583-W600 AromaticContact CZ2-NE1 3.69Å; W585-W600 WeakPolarHBondContact O-CZ2 3.26Å; W585-W600 PolarHBondContact O-NE1 3.19Å; P588-W600 CarbonylContact C-O 3.56Å; P588-W600 VanDerWaalsContact CA-O 3.24Å; P588-W600 WeakPolarHBondContact CA-O 3.12Å; Y589-W600 HydrophobicContact CD2-CB 4.03Å; Y589-W600 AromaticContact CD2-CD1 3.62Å; Y589-W600 HydrophobicContact CD2-CG 4.13Å; Y589-W600 PolarHBondContact N-O 2.92Å; Y589-W600 PolarHBondContact O-N 2.63Å; W600-P602 HydrophobicContact CZ2-CB 4.33Å
601	V	97.5	Very high	96.5	Very high	100 Å²	100	84.6 Å²	84.6	61%	0.606	49%	0.493	S	S	*	.			trans	-134.3	91.7	172	-174.7	0	0	0	0	107.3	V590	V590-V601 HydrophobicContact CG1-CG2 3.77Å
602	P	92.8	Very high	96.4	Very high	29 Å²	29	74.3 Å²	74.3	19%	0.188	46%	0.459	C	S	.	.			trans	-72	145.1	176	30.4	-29.9	0	0	0	109.6	W600	W600-P602 HydrophobicContact CZ2-CB 4.33Å
603	S	80.3	Confident	96.2	Very high	193 Å²	193	77.8 Å²	77.8	100%	1.35	47%	0.473	S	S	*	.			trans	-71.7	0	178.9	-50.1	0	0	0	0	113.4

Retrieved 603 of 603 residues in 583.1 ms (Link to these results)

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