A0A087XAX7_POEFO Loading...

Metabotropic glutamate receptor 2

Dimeric G protein-coupled receptor which is activated by the excitatory neurotransmitter L-glutamate. Plays critical roles in modulating synaptic transmission and neuronal excitability. Upon activation by glutamate, inhibits presynaptic calcium channels, reducing further glutamate release and dampening excitatory signaling. Mechanistically, ligand binding causes a conformation change that triggers signaling via guanine nucleotide-binding proteins (G proteins) and modulates the activity of down-stream effectors, such as adenylate cyclase. May mediate suppression of neurotransmission or may be involved in synaptogenesis or synaptic stabilization.

AlphaFold DB , UniProt , Accession A0A087XAX7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 893 aa.

						>A0A087XAX7_POEFO|A0A087XAX7
MSLGKSPTWGVRPVPRPLWLSHLGLLCLCVSLFTRATHGLPVVAYNTDSKKEITLEGDLMIGGLFPVHQKGEGLEDCGKINSQRGIQRLEAMLLALDEINRDERILPGIRLGAHILDTCSKDTYALEQSLEFVRASLTKVDDSEYTCPDGSYAIHDDVPLAISGVIGGSYSDVSIQVANLLRLFQIPQISYASTSAKLSDKTRYDYFARTVPPDFYQAKAMAEILRYFNWTYVSTVASEGDYGETGIDAFQQEARARQICIATSAKVSRSMSRWSYENVIRSLQQKSNAKVVILFTRSEDARELLVAANRMNVTFTWVASDGWGAQESVVRGSEAVADGAFTIELASYQIPHFNQYFTTLHPYNNTRNPWFREFWENQFQCSLHDLVCGKHSLHEVPFQPESKIMFVINAVYAMATALHNMRQALCPNSTKVCDALKPGNGRKFYRDYILKVKFDAPFRPPDTENVVCFDAFGDSVGRYNIFHYHKEGERYVYRSVGYWAQSLTLNTSLIPWSGHVVPTSQCSDPCRKNEIKSMQPGDVCCWICIPCQPYQYLQDEFTCADCSFGEWPLANLTGCYDLPEEYIRWEDAWAIGPVTISCLGMMSTLFVIGLFLKNNETPVVKASGRELTYILLLGVLMCYSMTFIYIAKPSTAVCTLRRLGLGTSFAVCYSALLTKTNRIARIFSGVKDGAQRPRFISPASQVAICGALISCQLVVVVVWMLVEAPGVRKEVSPEKRDIVTLKCNSKDSSMLVSLTYNCLLIILCTVYAFKTRKCPENFNEAKFIGFTMYTTCIIWLAFQPIFYVTASDYRVQTTTMCISVSLSGSVVLGCLFAPKIHIILFQPQKNVCNLRVATTRFSVNTGPASSFSQASASNVVPTVCNGREVVDSTTSSL
					

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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	34.5	Very low	32.4	Very low	245 Å²	245	145.8 Å²	145.8	100%	1.207	84%	0.838	S	S	*	*				0	113.1	0	-148.7	163.2	168.6	0	0	106.8
2	S	28.7	Very low	32.3	Very low	105 Å²	105	153.5 Å²	153.5	73%	0.734	84%	0.843	S	S	*	*			trans	56.7	102.8	173.4	-163.3	0	0	0	0	118.4
3	L	32.6	Very low	32.6	Very low	168 Å²	168	150.6 Å²	150.6	88%	0.88	84%	0.836	S	S	*	*				56.3	124.6	83	-72.6	152.6	0	0	0	113.1
4	G	30.4	Very low	32.5	Very low	68 Å²	68	149.6 Å²	149.6	70%	0.701	84%	0.836	S	S	*	*			cis	170.6	-176.7	2.7	0	0	0	0	0	113.1
5	K	31.6	Very low	33.1	Very low	208 Å²	208	147.3 Å²	147.3	90%	0.904	83%	0.829	S	S	*	*			trans	68.3	106	154.1	-66	-175.5	177.6	-179.8	0	120.5
6	S	32.2	Very low	32.9	Very low	112 Å²	112	153 Å²	153	78%	0.783	83%	0.834	S	S	*	*			trans	-78.2	154.6	147.8	54.1	0	0	0	0	112.1
7	P	41.7	Very low	33	Very low	123 Å²	123	151.4 Å²	151.4	80%	0.799	83%	0.833	S	S	*	*			trans	-127.3	150.1	141.4	32.8	-18.5	0	0	0	113
8	T	33.2	Very low	33	Very low	110 Å²	110	151.9 Å²	151.9	68%	0.675	83%	0.834	S	S	*	*			trans	-77.3	-179.8	174.3	47.2	0	0	0	0	112.6
9	W	29	Very low	32.8	Very low	253 Å²	253	156.7 Å²	156.7	96%	0.958	84%	0.838	S	S	*	*			trans	91.3	132.8	170	-52.8	96.9	0	0	0	113.9
10	G	27.9	Very low	32.7	Very low	69 Å²	69	154.9 Å²	154.9	71%	0.711	83%	0.828	S	S	*	*			cis	174	149.1	8	0	0	0	0	0	107
11	V	35.2	Very low	32.9	Very low	143 Å²	143	152.3 Å²	152.3	87%	0.867	82%	0.822	S	S	*	*			trans	-76.6	128.6	-174.9	174.1	0	0	0	0	111.6
12	R	30.2	Very low	33.1	Very low	238 Å²	238	148.5 Å²	148.5	90%	0.898	80%	0.801	S	S	*	*			trans	-155	138.6	147.9	-78.7	-161.8	-177.1	-177.1	0.7	110.9
13	P	36.3	Very low	33.5	Very low	116 Å²	116	151 Å²	151	75%	0.753	81%	0.805	S	S	*	*			trans	-109.3	142.2	177.2	37.5	-27.5	0	0	0	113.2
14	V	31.2	Very low	33.9	Very low	137 Å²	137	146.5 Å²	146.5	83%	0.83	80%	0.799	S	S	*	*			trans	-160.5	156.5	165.8	-160.4	0	0	0	0	107.9
15	P	41.3	Very low	34.3	Very low	114 Å²	114	150.9 Å²	150.9	74%	0.74	81%	0.806	S	S	*	*				-125.5	173.4	-50.3	38.9	-24.3	0	0	0	112.6
16	R	30.7	Very low	34.6	Very low	239 Å²	239	147.6 Å²	147.6	90%	0.902	80%	0.797	S	S	*	*			trans	-122.9	143.2	156.6	-85.8	-174.6	176	-175.7	-0.7	109.5
17	P	35.3	Very low	34.7	Very low	126 Å²	126	148.4 Å²	148.4	82%	0.818	80%	0.801	S	S	*	*			trans	-84.9	146	-168.9	33	-32.5	0	0	0	113.3
18	L	31.4	Very low	34.5	Very low	161 Å²	161	149.5 Å²	149.5	84%	0.843	80%	0.8	S	S	*	*			trans	-65.8	137.3	165.7	-77.7	84.6	0	0	0	110.7
19	W	29.5	Very low	34.6	Very low	242 Å²	242	149.6 Å²	149.6	92%	0.917	80%	0.804	S	S	*	*			trans	-147.6	118	138.4	-96.8	78.5	0	0	0	110.2
20	L	30.7	Very low	35	Very low	121 Å²	121	143.8 Å²	143.8	63%	0.634	80%	0.796	S	S	*	*			trans	56.8	99.3	154.2	-74.7	102.3	0	0	0	123.3
21	S	37.1	Very low	35.2	Very low	100 Å²	100	145.8 Å²	145.8	70%	0.699	80%	0.799	S	S	*	*				-29.9	126.6	123.2	49.7	0	0	0	0	115.8
22	H	39	Very low	35.2	Very low	165 Å²	165	145.8 Å²	145.8	76%	0.764	79%	0.793	S	S	*	*			trans	169.6	95.5	137.2	-89.2	-60.8	0	0	0	109
23	L	36.2	Very low	35.4	Very low	159 Å²	159	144 Å²	144	83%	0.832	79%	0.792	S	S	*	*			trans	-175.2	33	155.3	-103.2	143.4	0	0	0	113.1
24	G	41.5	Very low	35.2	Very low	73 Å²	73	145.5 Å²	145.5	75%	0.753	80%	0.8	S	S	*	*	S	Bend	trans	-90.5	11.3	176.9	0	0	0	0	0	115.2
25	L	40	Very low	35.2	Very low	160 Å²	160	150.3 Å²	150.3	84%	0.838	80%	0.803	S	S	*	*	S	Bend	trans	-124.4	12.9	-169.3	-111.9	101.8	0	0	0	115.8
26	L	36.5	Very low	34.8	Very low	139 Å²	139	149.5 Å²	149.5	73%	0.728	81%	0.806	S	S	*	*	S	Bend	trans	-120	13.8	-173.4	-114.2	145.5	0	0	0	115.8
27	C	35.9	Very low	34.7	Very low	128 Å²	128	144.6 Å²	144.6	87%	0.865	80%	0.803	S	S	*	*	S	Bend	trans	-119.8	5.2	173.2	-89.8	0	0	0	0	114.8
28	L	37.3	Very low	34.6	Very low	147 Å²	147	147.9 Å²	147.9	77%	0.77	81%	0.807	S	S	*	*	S	Bend	trans	-96.8	3.5	179.2	-104.9	136	0	0	0	114.4
29	C	33.8	Very low	34.8	Very low	112 Å²	112	143.9 Å²	143.9	76%	0.757	80%	0.804	S	S	*	*	S	Bend	trans	-118.5	11.7	-175	-70.5	0	0	0	0	115.8
30	V	37.7	Very low	34.9	Very low	131 Å²	131	140 Å²	140	79%	0.794	80%	0.801	S	S	*	*	S	Bend	trans	-113.2	-2.9	-176.8	-175.4	0	0	0	0	114.3
31	S	32.6	Very low	35	Very low	111 Å²	111	140 Å²	140	78%	0.776	81%	0.808	S	S	*	*	S	Bend	trans	-103	-0.6	178.6	55.8	0	0	0	0	115.5
32	L	34.4	Very low	34.6	Very low	142 Å²	142	141.8 Å²	141.8	74%	0.743	81%	0.814	S	S	*	*	S	Bend	trans	-109.3	84.2	174.5	-77.1	157.4	0	0	0	108.7
33	F	34.6	Very low	34.2	Very low	200 Å²	200	139.5 Å²	139.5	88%	0.877	81%	0.812	S	S	*	*			trans	156.3	74.8	150.6	-91	-71.9	0	0	0	111.5
34	T	31.8	Very low	33.7	Very low	149 Å²	149	136.3 Å²	136.3	91%	0.914	81%	0.808	S	S	*	*			trans	-144.6	103.9	145.6	30.8	0	0	0	0	110.7
35	R	30.9	Very low	33.1	Very low	237 Å²	237	142.2 Å²	142.2	89%	0.894	81%	0.809	S	S	*	*			trans	-16.3	132.8	167.2	-79	169.5	168.2	168.4	-4.3	119.4
36	A	33.7	Very low	32.4	Very low	98 Å²	98	141 Å²	141	81%	0.81	80%	0.804	S	S	*	*			trans	-17.8	128.4	138.1	0	0	0	0	0	117.4
37	T	29.7	Very low	32.3	Very low	136 Å²	136	141.1 Å²	141.1	83%	0.834	81%	0.81	S	S	*	*			trans	-140.3	153.3	142.8	45.6	0	0	0	0	109.2
38	H	31.7	Very low	32.4	Very low	194 Å²	194	142.6 Å²	142.6	90%	0.898	81%	0.81	S	S	*	*			trans	-56.8	147.6	-158.2	-72.1	-85.8	0	0	0	117.7
39	G	36.4	Very low	33.2	Very low	77 Å²	77	140.1 Å²	140.1	79%	0.794	81%	0.805	S	S	*	*			trans	-75.1	154.8	-172.3	0	0	0	0	0	117.5
40	L	31.3	Very low	34.9	Very low	162 Å²	162	138.8 Å²	138.8	85%	0.848	79%	0.786	S	S	*	*			trans	-137.5	145.5	153.1	-84.2	159.8	0	0	0	105.9	V42	L40-V42 PolarHBondContact O-N 2.78Å; L40-V42 VanDerWaalsContact O-N 3.08Å
41	P	33.1	Very low	37.1	Very low	121 Å²	121	137.7 Å²	137.7	79%	0.786	77%	0.771	S	S	*	*			trans	-73.4	109.2	-169.8	30	-31.4	0	0	0	110	V43	P41-V43 PolarHBondContact O-N 3.27Å
42	V	28	Very low	39.9	Very low	136 Å²	136	136 Å²	136	82%	0.824	75%	0.751	S	S	*	*			trans	-79.9	107.4	163.7	178.7	0	0	0	0	106.6	L40 A44	L40-V42 PolarHBondContact O-N 2.78Å; L40-V42 VanDerWaalsContact O-N 3.08Å; V42-A44 PolarHBondContact O-N 3.43Å; V42-A44 VanDerWaalsContact O-N 3.11Å
43	V	31.8	Very low	42.6	Very low	117 Å²	117	129.4 Å²	129.4	71%	0.709	72%	0.716	S	S	*	*			trans	-62.6	108.1	166.6	175.6	0	0	0	0	107.1	P41 Y45	P41-V43 PolarHBondContact O-N 3.27Å; V43-Y45 PolarHBondContact O-N 3.05Å
44	A	25.2	Very low	45.4	Very low	92 Å²	92	123 Å²	123	76%	0.76	69%	0.693	S	S	*	*			trans	-67.3	110.5	168.8	0	0	0	0	0	108.3	V42 N46	V42-A44 PolarHBondContact O-N 3.43Å; V42-A44 VanDerWaalsContact O-N 3.11Å; A44-N46 PolarHBondContact O-N 3.38Å
45	Y	28.4	Very low	48.3	Very low	198 Å²	198	117.6 Å²	117.6	78%	0.776	66%	0.658	S	S	*	*			trans	-71.4	117.9	168.5	-115.6	-95.5	0	0	0	108.1	V43 T47	V43-Y45 PolarHBondContact O-N 3.05Å; Y45-T47 PolarHBondContact O-N 3.25Å
46	N	25.3	Very low	51.1	Low	135 Å²	135	114 Å²	114	72%	0.722	65%	0.652	S	S	*	*			trans	-67.7	109.7	176.4	-149.2	10.1	0	0	0	108.8	A44 D48	A44-N46 PolarHBondContact O-N 3.38Å; N46-D48 PolarHBondContact O-N 3.32Å
47	T	34.7	Very low	53.7	Low	141 Å²	141	110.6 Å²	110.6	87%	0.865	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.1	21	-174.3	33.7	0	0	0	0	115.1	Y45	Y45-T47 PolarHBondContact O-N 3.25Å
48	D	38.8	Very low	56.5	Low	159 Å²	159	108.7 Å²	108.7	85%	0.85	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.7	20.2	-177	-108.4	-10.6	0	0	0	114.1	N46	N46-D48 PolarHBondContact O-N 3.32Å
49	S	52.6	Low	59.3	Low	95 Å²	95	99.7 Å²	99.7	66%	0.664	57%	0.57	S	S	*	*	S	Bend	trans	-94.3	123.2	170.7	53.1	0	0	0	0	111	K51	S49-K51 PolarHBondContact O-N 3Å
50	K	69.2	Low	62	Low	84 Å²	84	96.6 Å²	96.6	37%	0.365	54%	0.535	S	S	.	.	P	Polyproline II helix	trans	-49.4	119.9	166.2	-177.7	-179.7	-178.8	171.8	0	109.1	E131	K50-E131 IonicContact NZ-OE1 3.51Å; K50-E131 PolarHBondContact NZ-OE1 2.98Å
51	K	85.1	Confident	65	Low	108 Å²	108	88.9 Å²	88.9	47%	0.47	49%	0.494	S	S	.	.	P	Polyproline II helix	trans	-76.5	127.1	178.4	-67.4	-178.3	-176.6	176.4	0	109.4	S49 P369 W370 E373	S49-K51 PolarHBondContact O-N 3Å; K51-P369 HydrophobicContact CB-CG 4.39Å; K51-W370 HydrophobicContact CB-CZ2 3.91Å; K51-W370 WeakPolarHBondContact O-CZ2 3.3Å; K51-E373 IonicContact NZ-OE2 3.74Å
52	E	90.4	Very high	68	Low	76 Å²	76	83.1 Å²	83.1	36%	0.355	46%	0.457	S	S	.	.			trans	-146.3	162.6	176.4	60	178.4	-154.4	0	0	110.5	H114 L116	E52-H114 VanDerWaalsContact CD-NE2 3.3Å; E52-H114 IonicContact OE1-NE2 3.35Å; E52-H114 IonicContact OE2-CD2 2.87Å; E52-H114 IonicContact OE2-CE1 3.4Å; E52-H114 IonicContact OE2-NE2 2.79Å; E52-H114 PolarHBondContact OE2-NE2 2.74Å; E52-L116 HydrophobicContact CB-CD2 3.69Å
53	I	92.7	Very high	71.2	Confident	3 Å²	3	76.7 Å²	76.7	2%	0.015	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	123.4	170.1	-59.5	172.1	0	0	0	108.3	L55 L89 L93 H114 I115 N368 P369 W370	I53-L55 HydrophobicContact CG2-CD2 4.38Å; I53-L55 HydrophobicContact CG2-CG 4.18Å; I53-L89 HydrophobicContact CD1-CD1 3.98Å; I53-L89 HydrophobicContact CD1-CD2 3.72Å; I53-L89 HydrophobicContact CD1-CG 4.27Å; I53-L93 HydrophobicContact CD1-CD1 4.49Å; I53-H114 CarbonylContact O-C 3.52Å; I53-H114 VanDerWaalsContact O-CA 3.3Å; I53-H114 WeakPolarHBondContact O-CA 3.31Å; I53-I115 HydrophobicContact CB-CB 4.07Å; I53-I115 HydrophobicContact CD1-CD1 4.49Å; I53-I115 PolarHBondContact N-O 3.25Å; I53-I115 PolarHBondContact O-N 3.19Å; I53-N368 HydrophobicContact CD1-CB 4.19Å; I53-P369 HydrophobicContact CG1-CG 4.14Å; I53-W370 HydrophobicContact CD1-CE3 4.12Å; I53-W370 HydrophobicContact CD1-CZ3 3.77Å; I53-W370 HydrophobicContact CG1-CE3 4.35Å; I53-W370 HydrophobicContact CG1-CZ3 3.76Å
54	T	92.1	Very high	74.4	Confident	64 Å²	64	71.1 Å²	71.1	39%	0.393	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	116.9	174.3	-55.8	0	0	0	0	108.7	M60 A113 L160	T54-M60 HydrophobicContact CG2-CE 4.47Å; T54-A113 CarbonylContact C-O 3.46Å; T54-A113 WeakPolarHBondContact CA-O 3.46Å; T54-L160 HydrophobicContact CG2-CD1 3.77Å
55	L	92.3	Very high	77.8	Confident	36 Å²	36	66.7 Å²	66.7	19%	0.188	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	119	173.8	-62.8	-176.7	0	0	0	108.8	I53 M60 L93 G112 A113	I53-L55 HydrophobicContact CG2-CD2 4.38Å; I53-L55 HydrophobicContact CG2-CG 4.18Å; L55-M60 VanDerWaalsContact O-CE 3.3Å; L55-M60 WeakPolarHBondContact O-CE 3.3Å; L55-L93 HydrophobicContact CD1-CD2 3.64Å; L55-G112 CarbonylContact O-C 3.57Å; L55-G112 WeakPolarHBondContact O-CA 3.39Å; L55-A113 HydrophobicContact CB-CB 4.36Å; L55-A113 HydrophobicContact CD1-CB 4.35Å; L55-A113 PolarHBondContact N-O 3.28Å; L55-A113 PolarHBondContact O-N 3.4Å
56	E	90.2	Very high	80.9	Confident	162 Å²	162	57.3 Å²	57.3	76%	0.757	31%	0.311	S	S	*	.			trans	-63.6	137.5	177.6	-64.2	-177.4	175.4	0	0	112
57	G	89.3	Confident	84.3	Confident	27 Å²	27	50.9 Å²	50.9	28%	0.278	28%	0.276	S	S	.	.			trans	-165.8	168.8	172.9	0	0	0	0	0	111.3	L59 R110	G57-L59 VanDerWaalsContact C-N 3.31Å; G57-R110 CarbonylContact C-O 3.49Å
58	D	88.6	Confident	87	Confident	95 Å²	95	44.9 Å²	44.9	51%	0.508	24%	0.238	S	C	.	.	S	Bend	trans	-72	-28.6	-179.5	-54.7	-58.9	0	0	0	112.1	I109 R110 V432	D58-I109 HydrophobicContact CB-CG2 4.04Å; D58-I109 WeakPolarHBondContact OD2-CA 3.17Å; D58-R110 PolarHBondContact N-O 3.11Å; D58-R110 PolarHBondContact OD2-N 3.09Å; D58-V432 HydrophobicContact CB-CG2 3.63Å
59	L	90.2	Very high	89.4	Confident	6 Å²	6	40.4 Å²	40.4	3%	0.031	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	128.7	172.5	-64.2	173.5	0	0	0	109.5	G57 I109 R110 L111 G112 L418 V432 L436	G57-L59 VanDerWaalsContact C-N 3.31Å; L59-I109 HydrophobicContact CD1-CG2 3.93Å; L59-I109 HydrophobicContact CG-CG2 4.13Å; L59-R110 PolarHBondContact N-O 3.18Å; L59-L111 HydrophobicContact CB-CD2 3.93Å; L59-L111 HydrophobicContact CD1-CD2 4.38Å; L59-G112 PolarHBondContact O-N 3.07Å; L59-L418 HydrophobicContact CD1-CD1 4.24Å; L59-L418 HydrophobicContact CD1-CD2 4.31Å; L59-V432 HydrophobicContact CD1-CG2 4.45Å; L59-V432 HydrophobicContact CD2-CG1 3.97Å; L59-V432 HydrophobicContact CD2-CG2 4.08Å; L59-V432 HydrophobicContact CG-CG2 3.93Å; L59-L436 HydrophobicContact CD1-CD2 4.44Å
60	M	91.9	Very high	90.9	Very high	12 Å²	12	40.2 Å²	40.2	6%	0.059	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	134	-176.3	-60.2	-61.1	-67.3	0	0	111.9	T54 L55 L160 I162 S163	T54-M60 HydrophobicContact CG2-CE 4.47Å; L55-M60 VanDerWaalsContact O-CE 3.3Å; L55-M60 WeakPolarHBondContact O-CE 3.3Å; M60-L160 HydrophobicContact CE-CD1 4.14Å; M60-L160 HydrophobicContact CE-CD2 4.14Å; M60-L160 HydrophobicContact CG-CB 4.46Å; M60-L160 HydrophobicContact CG-CD2 4.16Å; M60-L160 HydrophobicContact SD-CD2 4.39Å; M60-I162 HydrophobicContact CB-CD1 3.91Å; M60-S163 PolarHBondContact O-N 3.15Å
61	I	95	Very high	91.6	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	128.4	174.1	-60.7	175.7	0	0	0	109.6	M92 L96 L111 G112 A113 H114 I166 M414	I61-M92 HydrophobicContact CG2-CE 4.01Å; I61-L96 HydrophobicContact CD1-CD2 4.43Å; I61-L111 HydrophobicContact CD1-CD1 3.99Å; I61-L111 HydrophobicContact CD1-CD2 4.32Å; I61-G112 PolarHBondContact N-O 3.42Å; I61-A113 CarbonylContact O-C 3.55Å; I61-A113 WeakPolarHBondContact O-CA 3.47Å; I61-H114 PolarHBondContact O-N 3.26Å; I61-I166 HydrophobicContact CG2-CG1 3.76Å; I61-M414 HydrophobicContact CD1-CG 3.88Å; I61-M414 HydrophobicContact CG1-CG 4.37Å
62	G	95.4	Very high	91.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	144	174.5	0	0	0	0	0	111.3	H114 G164 V165 I166	G62-H114 CarbonylContact C-O 3.56Å; G62-H114 WeakPolarHBondContact CA-O 3.41Å; G62-G164 PolarHBondContact N-O 3.33Å; G62-V165 CarbonylContact O-C 3.23Å; G62-V165 WeakPolarHBondContact O-CA 3.49Å; G62-I166 PolarHBondContact O-N 3.17Å
63	G	96.8	Very high	90.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	132.7	175.6	0	0	0	0	0	111.8	H114 I115 L116 I166	G63-H114 PolarHBondContact N-O 3.1Å; G63-I115 WeakPolarHBondContact O-CA 3.47Å; G63-L116 PolarHBondContact O-N 2.68Å; G63-I166 WeakPolarHBondContact CA-O 3.5Å
64	L	97.3	Very high	89.5	Confident	0 Å²	0	48 Å²	48	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	109.3	176.6	-71.5	174.2	0	0	0	110.6	L116 T118 F132 V165 I166 V177 Y191	L64-L116 HydrophobicContact CD2-CB 4.07Å; L64-T118 HydrophobicContact CB-CG2 3.71Å; L64-T118 HydrophobicContact CD2-CG2 3.95Å; L64-T118 HydrophobicContact CG-CG2 4.32Å; L64-F132 HydrophobicContact CD1-CE2 4.01Å; L64-F132 HydrophobicContact CD2-CE2 3.73Å; L64-F132 HydrophobicContact CD2-CZ 3.99Å; L64-F132 HydrophobicContact CG-CE2 3.68Å; L64-F132 HydrophobicContact CG-CZ 4.12Å; L64-V165 HydrophobicContact CD1-CG1 4Å; L64-V165 HydrophobicContact CG-CG1 4.22Å; L64-I166 PolarHBondContact N-O 3.39Å; L64-V177 HydrophobicContact CD1-CB 4.37Å; L64-V177 HydrophobicContact CD1-CG1 3.71Å; L64-V177 HydrophobicContact CD1-CG2 3.89Å; L64-Y191 PolarHBondContact O-OH 3.04Å
65	F	96.8	Very high	89	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	148.2	-179.6	-63.2	-87.3	0	0	0	111.5	V67 R88 L89 M92 I115 L116 D117 T118 Y191 V407	F65-V67 HydrophobicContact CB-CG2 4.33Å; F65-V67 PolarHBondContact O-N 2.83Å; F65-R88 HydrophobicContact CD1-CB 3.76Å; F65-R88 HydrophobicContact CE1-CB 3.96Å; F65-R88 WeakPolarHBondContact CE1-O 3.43Å; F65-L89 HydrophobicContact CB-CB 4.29Å; F65-L89 HydrophobicContact CD1-CB 4.32Å; F65-L89 HydrophobicContact CD2-CB 4.14Å; F65-L89 HydrophobicContact CD2-CG 4.3Å; F65-L89 HydrophobicContact CG-CB 3.97Å; F65-M92 HydrophobicContact CE2-CB 4.19Å; F65-M92 HydrophobicContact CE2-CG 4.47Å; F65-M92 HydrophobicContact CE2-SD 3.49Å; F65-M92 WeakPolarHBondContact CE2-SD 3.21Å; F65-M92 HydrophobicContact CZ-CB 3.65Å; F65-M92 HydrophobicContact CZ-CG 4.24Å; F65-M92 HydrophobicContact CZ-SD 3.58Å; F65-M92 VanDerWaalsContact CZ-SD 3.58Å; F65-I115 HydrophobicContact CD2-CG2 3.5Å; F65-I115 HydrophobicContact CE2-CG2 3.91Å; F65-L116 PolarHBondContact N-O 3.26Å; F65-D117 VanDerWaalsContact O-OD1 3.1Å; F65-T118 VanDerWaalsContact C-OG1 3.28Å; F65-T118 PolarHBondContact O-N 3.3Å; F65-T118 PolarHBondContact O-OG1 2.74Å; F65-Y191 HydrophobicContact CD1-CE1 4.01Å; F65-Y191 AromaticContact CD1-CZ 3.74Å; F65-Y191 WeakPolarHBondContact CD1-OH 3.44Å; F65-Y191 HydrophobicContact CE1-CD1 4.45Å; F65-Y191 AromaticContact CE1-CE1 3.6Å; F65-Y191 HydrophobicContact CE1-CE1 3.6Å; F65-Y191 AromaticContact CE1-CZ 3.74Å; F65-Y191 HydrophobicContact CZ-CE1 4.23Å; F65-V407 HydrophobicContact CE1-CG1 4.02Å; F65-V407 HydrophobicContact CZ-CG1 4.24Å
66	P	94.9	Very high	88.5	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.289	C	S	.	.			trans	-82.5	71.8	173.4	34.3	-33.9	0	0	0	109.4	H68 N81 G85 T118 S120 Y170	P66-H68 VanDerWaalsContact C-N 3.28Å; P66-H68 PolarHBondContact O-N 2.89Å; P66-N81 WeakPolarHBondContact O-CB 3.5Å; P66-G85 WeakPolarHBondContact O-CA 3.49Å; P66-T118 WeakPolarHBondContact CA-OG1 3.33Å; P66-S120 WeakPolarHBondContact CB-OG 3.48Å; P66-Y170 HydrophobicContact CB-CE2 4.18Å
67	V	95.2	Very high	88.5	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	27%	0.265	C	S	.	.			trans	-62.9	-42.3	-179.7	-177.2	0	0	0	0	109.3	F65 I80 N81 I86 L89 D117 W370	F65-V67 HydrophobicContact CB-CG2 4.33Å; F65-V67 PolarHBondContact O-N 2.83Å; V67-I80 HydrophobicContact CG1-CD1 4.38Å; V67-I80 HydrophobicContact CG1-CG1 4.26Å; V67-N81 WeakPolarHBondContact O-CB 3.48Å; V67-N81 PolarHBondContact O-N 3.36Å; V67-I86 HydrophobicContact CG1-CD1 3.86Å; V67-L89 HydrophobicContact CG2-CD1 3.83Å; V67-D117 HydrophobicContact CB-CB 4.17Å; V67-D117 VanDerWaalsContact CB-CG 3.49Å; V67-D117 WeakPolarHBondContact CB-OD1 3.27Å; V67-D117 HydrophobicContact CG2-CB 4.17Å; V67-D117 PolarHBondContact N-OD1 3.39Å; V67-W370 HydrophobicContact CG1-CB 3.81Å; V67-W370 HydrophobicContact CG1-CD2 3.92Å; V67-W370 HydrophobicContact CG1-CE3 4.39Å; V67-W370 HydrophobicContact CG1-CG 3.66Å; V67-W370 HydrophobicContact CG2-CD2 4.32Å; V67-W370 HydrophobicContact CG2-CE3 4.14Å; V67-W370 HydrophobicContact CG2-CZ3 4.31Å
68	H	92.8	Very high	88.5	Confident	15 Å²	15	46.7 Å²	46.7	7%	0.069	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	154.2	171.7	-60.4	90.4	0	0	0	112.8	P66 C77 G78 D117 C119 S120 W370 E373	P66-H68 VanDerWaalsContact C-N 3.28Å; P66-H68 PolarHBondContact O-N 2.89Å; H68-C77 HydrophobicContact CB-CB 3.91Å; H68-G78 PolarHBondContact CD2-O 2.92Å; H68-D117 IonicContact CE1-OD2 3.75Å; H68-D117 IonicContact CG-OD2 3.89Å; H68-D117 PolarHBondContact N-OD1 3.07Å; H68-D117 PolarHBondContact N-OD2 3.36Å; H68-D117 IonicContact ND1-OD2 3.15Å; H68-D117 PolarHBondContact ND1-OD2 2.89Å; H68-C119 CarbonylContact O-C 3.49Å; H68-C119 VanDerWaalsContact O-C 3.23Å; H68-C119 WeakPolarHBondContact O-CA 3.11Å; H68-S120 PolarHBondContact O-N 2.81Å; H68-S120 PolarHBondContact O-OG 3.36Å; H68-W370 AromaticContact CE1-CD1 3.64Å; H68-W370 AromaticContact CE1-NE1 3.88Å; H68-E373 IonicContact CD2-OE1 2.8Å; H68-E373 IonicContact NE2-OE1 3.51Å; H68-E373 PolarHBondContact NE2-OE1 3.33Å; H68-E373 VanDerWaalsContact NE2-OE1 3.07Å; H68-E373 IonicContact NE2-OE2 3.82Å; H68-E373 PolarHBondContact NE2-OE2 3.26Å
69	Q	87.8	Confident	88.5	Confident	65 Å²	65	49.4 Å²	49.4	30%	0.304	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	162.6	165.7	-63.1	178.4	8.5	0	0	110	G71 G78 K79 N81 C119	Q69-G71 PolarHBondContact O-N 3.36Å; Q69-G78 WeakPolarHBondContact O-CA 3.45Å; Q69-G78 PolarHBondContact O-N 3.47Å; Q69-K79 WeakPolarHBondContact CG-O 3.48Å; Q69-K79 PolarHBondContact N-O 3.3Å; Q69-N81 HydrophobicContact CG-CB 4.45Å; Q69-C119 CarbonylContact C-O 3.53Å
70	K	85.1	Confident	88.6	Confident	91 Å²	91	49.5 Å²	49.5	40%	0.396	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	131	172	-177.2	175.1	-178.2	175.4	0	110.2	C119 K121 R269	K70-C119 WeakPolarHBondContact CA-O 3.37Å; K70-C119 PolarHBondContact N-O 3.45Å; K70-K121 HydrophobicContact CG-CB 4.34Å; K70-R269 VanDerWaalsContact O-CZ 3.27Å; K70-R269 PolarHBondContact O-NH1 3.43Å; K70-R269 PolarHBondContact O-NH2 2.91Å
71	G	83.8	Confident	88.5	Confident	14 Å²	14	49.7 Å²	49.7	14%	0.144	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-68.4	166.2	178.4	0	0	0	0	0	113.7	Q69 E75 D76	Q69-G71 PolarHBondContact O-N 3.36Å; G71-E75 WeakPolarHBondContact CA-O 3.4Å; G71-D76 PolarHBondContact N-O 3.03Å
72	E	77.6	Confident	88.1	Confident	158 Å²	158	50.7 Å²	50.7	74%	0.738	28%	0.28	S	S	*	.	S	Bend	trans	-100.6	134.1	176	-67.6	-173.2	179.3	0	0	110.6	L74 E75	E72-L74 PolarHBondContact O-N 3.18Å; E72-E75 PolarHBondContact O-N 3.22Å
73	G	73.1	Confident	87.6	Confident	85 Å²	85	53.2 Å²	53.2	88%	0.876	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.4	-113.8	177.5	0	0	0	0	0	113.7
74	L	73.8	Confident	87.2	Confident	178 Å²	178	54.1 Å²	54.1	93%	0.932	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-12.9	-175.6	-78.8	149.8	0	0	0	113.5	E72	E72-L74 PolarHBondContact O-N 3.18Å
75	E	81.3	Confident	87	Confident	133 Å²	133	54.1 Å²	54.1	62%	0.621	30%	0.295	S	S	*	.			trans	-79.3	132.3	177.5	-65.9	-178.8	170.5	0	0	110.6	G71 E72	G71-E75 WeakPolarHBondContact CA-O 3.4Å; E72-E75 PolarHBondContact O-N 3.22Å
76	D	82	Confident	86.9	Confident	66 Å²	66	54.1 Å²	54.1	35%	0.353	30%	0.295	S	S	.	.	S	Bend	trans	-72.3	-41.2	178.1	-74.5	-45.7	0	0	0	112.4	G71 K121 Y124	G71-D76 PolarHBondContact N-O 3.03Å; D76-K121 IonicContact OD1-NZ 3.13Å; D76-K121 PolarHBondContact OD1-NZ 2.87Å; D76-Y124 HydrophobicContact CB-CD2 3.67Å; D76-Y124 HydrophobicContact CB-CE2 4.03Å; D76-Y124 HydrophobicContact CB-CG 4.39Å
77	C	89.8	Confident	86.9	Confident	38 Å²	38	54.7 Å²	54.7	26%	0.257	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	135.2	-172.6	-50.6	0	0	0	0	109.9	H68 C119	H68-C77 HydrophobicContact CB-CB 3.91Å; C77-C119 HydrophobicContact CB-CB 3.78Å; C77-C119 WeakPolarHBondContact CB-SG 3.41Å; C77-C119 WeakPolarHBondContact SG-CB 3.19Å; C77-C119 CovalentContact SG-SG 2.01Å; C77-C119 PolarHBondContact SG-SG 2.94Å
78	G	89.1	Confident	86.9	Confident	24 Å²	24	54.9 Å²	54.9	25%	0.247	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	-147.3	176.3	0	0	0	0	0	111.7	H68 Q69	H68-G78 PolarHBondContact CD2-O 2.92Å; Q69-G78 WeakPolarHBondContact O-CA 3.45Å; Q69-G78 PolarHBondContact O-N 3.47Å
79	K	89.6	Confident	87	Confident	153 Å²	153	54.1 Å²	54.1	67%	0.665	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.4	150	-179.1	-62.8	-174.8	179.9	-174.4	0	112.7	Q69	Q69-K79 WeakPolarHBondContact CG-O 3.48Å; Q69-K79 PolarHBondContact N-O 3.3Å
80	I	91.4	Very high	87.4	Confident	8 Å²	8	51 Å²	51	4%	0.041	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	139.6	175.9	-162.2	161.2	0	0	0	112	V67 I86 W370 E373 F374 N377	V67-I80 HydrophobicContact CG1-CD1 4.38Å; V67-I80 HydrophobicContact CG1-CG1 4.26Å; I80-I86 HydrophobicContact CD1-CD1 4.03Å; I80-I86 HydrophobicContact CD1-CG1 4.05Å; I80-I86 HydrophobicContact CG1-CD1 4.47Å; I80-I86 HydrophobicContact CG1-CG1 4.12Å; I80-W370 HydrophobicContact CD1-CB 4.28Å; I80-E373 HydrophobicContact CB-CG 4.48Å; I80-E373 HydrophobicContact CD1-CB 4.08Å; I80-E373 HydrophobicContact CD1-CG 3.91Å; I80-F374 HydrophobicContact CD1-CB 3.78Å; I80-N377 HydrophobicContact CG2-CB 3.6Å; I80-N377 VanDerWaalsContact CG2-ND2 3.28Å; I80-N377 WeakPolarHBondContact CG2-ND2 3.38Å
81	N	89.6	Confident	88	Confident	16 Å²	16	46.7 Å²	46.7	9%	0.086	26%	0.262	C	S	.	.			trans	-100.5	88.6	-179.2	-165.5	-22.7	0	0	0	110.2	P66 V67 Q69 Q83 R84 G85 I86	P66-N81 WeakPolarHBondContact O-CB 3.5Å; V67-N81 WeakPolarHBondContact O-CB 3.48Å; V67-N81 PolarHBondContact O-N 3.36Å; Q69-N81 HydrophobicContact CG-CB 4.45Å; N81-Q83 VanDerWaalsContact C-N 3.35Å; N81-Q83 PolarHBondContact O-N 2.81Å; N81-R84 PolarHBondContact OD1-N 3.44Å; N81-R84 VanDerWaalsContact OD1-N 3.07Å; N81-G85 VanDerWaalsContact O-CA 3.25Å; N81-G85 WeakPolarHBondContact O-CA 3.48Å; N81-G85 PolarHBondContact O-N 3.14Å; N81-I86 PolarHBondContact O-N 3.42Å; N81-I86 VanDerWaalsContact O-N 3.09Å
82	S	87.8	Confident	88.7	Confident	21 Å²	21	46 Å²	46	15%	0.147	26%	0.255	C	S	.	.	I	π-helix	trans	-53.1	-46.7	-177.5	-61.4	0	0	0	0	113.6	Q87	S82-Q87 PolarHBondContact O-N 3.36Å
83	Q	84.9	Confident	89.6	Confident	52 Å²	52	38.5 Å²	38.5	24%	0.243	22%	0.22	C	C	.	.	I	π-helix	trans	-84.6	-56.6	-174	-70.4	177.5	-26.3	0	0	112.1	N81 Q87 E401	N81-Q83 VanDerWaalsContact C-N 3.35Å; N81-Q83 PolarHBondContact O-N 2.81Å; Q83-Q87 WeakPolarHBondContact O-CB 3.24Å; Q83-E401 HydrophobicContact CB-CG 4.43Å
84	R	88	Confident	90.7	Very high	20 Å²	20	34.7 Å²	34.7	8%	0.075	18%	0.179	C	C	.	.	I	π-helix	trans	-85	-20.1	-172.2	-61.9	-178.2	174.1	-176.9	-0	114.1	N81 R88 S298 E299 G322 Q326 E401	N81-R84 PolarHBondContact OD1-N 3.44Å; N81-R84 VanDerWaalsContact OD1-N 3.07Å; R84-R88 WeakPolarHBondContact O-CD 3.42Å; R84-R88 WeakPolarHBondContact O-CG 3.39Å; R84-R88 PolarHBondContact O-NH1 3.46Å; R84-S298 PolarHBondContact NH1-OG 3.01Å; R84-S298 PolarHBondContact NH2-OG 3.42Å; R84-E299 IonicContact NH1-OE1 3.34Å; R84-G322 PolarHBondContact NH2-O 3.41Å; R84-G322 VanDerWaalsContact NH2-O 3.15Å; R84-Q326 VanDerWaalsContact NH2-CD 3.32Å; R84-E401 HydrophobicContact CG-CG 4.43Å
85	G	92.1	Very high	91.8	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.135	C	C	.	.	I	π-helix	trans	-92.3	-74.9	177.4	0	0	0	0	0	110.5	P66 N81 R88 L89	P66-G85 WeakPolarHBondContact O-CA 3.49Å; N81-G85 VanDerWaalsContact O-CA 3.25Å; N81-G85 WeakPolarHBondContact O-CA 3.48Å; N81-G85 PolarHBondContact O-N 3.14Å; G85-R88 PolarHBondContact O-N 3.14Å; G85-L89 WeakPolarHBondContact O-CB 3.47Å; G85-L89 PolarHBondContact O-N 3.39Å
86	I	94.4	Very high	92.5	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.105	C	C	.	.	I	π-helix	trans	-66.2	-47.1	-168.2	-62.9	-68.3	0	0	0	112.9	V67 I80 N81 R88 L89 E90 F357 W370 F371 F374	V67-I86 HydrophobicContact CG1-CD1 3.86Å; I80-I86 HydrophobicContact CD1-CD1 4.03Å; I80-I86 HydrophobicContact CD1-CG1 4.05Å; I80-I86 HydrophobicContact CG1-CD1 4.47Å; I80-I86 HydrophobicContact CG1-CG1 4.12Å; N81-I86 PolarHBondContact O-N 3.42Å; N81-I86 VanDerWaalsContact O-N 3.09Å; I86-R88 VanDerWaalsContact C-N 3.3Å; I86-R88 PolarHBondContact O-N 2.93Å; I86-L89 PolarHBondContact O-N 2.97Å; I86-E90 HydrophobicContact CG2-CG 4.32Å; I86-E90 WeakPolarHBondContact O-CB 3.49Å; I86-E90 WeakPolarHBondContact O-CG 3.43Å; I86-E90 PolarHBondContact O-N 3.35Å; I86-F357 HydrophobicContact CG2-CE2 4.05Å; I86-F357 HydrophobicContact CG2-CZ 4.2Å; I86-W370 HydrophobicContact CD1-CB 3.91Å; I86-F371 HydrophobicContact CG2-CD2 4.31Å; I86-F374 HydrophobicContact CB-CD2 4.39Å; I86-F374 HydrophobicContact CB-CG 4.48Å; I86-F374 HydrophobicContact CD1-CB 4.4Å; I86-F374 HydrophobicContact CG1-CB 4.05Å; I86-F374 HydrophobicContact CG1-CD2 4.29Å; I86-F374 HydrophobicContact CG1-CG 4.25Å; I86-F374 HydrophobicContact CG2-CB 4.47Å; I86-F374 HydrophobicContact CG2-CD1 4.22Å; I86-F374 HydrophobicContact CG2-CD2 4.32Å; I86-F374 HydrophobicContact CG2-CG 4.05Å
87	Q	94.9	Very high	93.2	Very high	12 Å²	12	18.7 Å²	18.7	6%	0.056	10%	0.099	C	C	.	.	I	π-helix	trans	-62.3	-38.5	178.4	-62.7	-179.1	13	0	0	112.1	S82 Q83 A91 F353 F357 Q399 I404	S82-Q87 PolarHBondContact O-N 3.36Å; Q83-Q87 WeakPolarHBondContact O-CB 3.24Å; Q87-A91 WeakPolarHBondContact O-CB 3.27Å; Q87-A91 PolarHBondContact O-N 3.46Å; Q87-F353 HydrophobicContact CB-CE1 4.21Å; Q87-F353 HydrophobicContact CB-CZ 4.07Å; Q87-F353 WeakPolarHBondContact O-CZ 3.34Å; Q87-F357 HydrophobicContact CB-CE2 4.48Å; Q87-F357 HydrophobicContact CG-CD2 4.46Å; Q87-F357 HydrophobicContact CG-CE1 4.34Å; Q87-F357 HydrophobicContact CG-CE2 3.96Å; Q87-F357 HydrophobicContact CG-CZ 3.89Å; Q87-Q399 PolarHBondContact NE2-O 3.18Å; Q87-Q399 VanDerWaalsContact NE2-O 3.14Å; Q87-I404 HydrophobicContact CB-CD1 4.3Å
88	R	95.4	Very high	93.5	Very high	3 Å²	3	19 Å²	19	1%	0.011	10%	0.096	C	C	.	.	H	α-helix	trans	-70	-40.6	178.8	-64.1	-165.5	-168.2	149.4	-10.4	112.4	F65 R84 G85 I86 A91 M92 S169 E401 V407	F65-R88 HydrophobicContact CD1-CB 3.76Å; F65-R88 HydrophobicContact CE1-CB 3.96Å; F65-R88 WeakPolarHBondContact CE1-O 3.43Å; R84-R88 WeakPolarHBondContact O-CD 3.42Å; R84-R88 WeakPolarHBondContact O-CG 3.39Å; R84-R88 PolarHBondContact O-NH1 3.46Å; G85-R88 PolarHBondContact O-N 3.14Å; I86-R88 VanDerWaalsContact C-N 3.3Å; I86-R88 PolarHBondContact O-N 2.93Å; R88-A91 WeakPolarHBondContact O-CB 3.49Å; R88-A91 PolarHBondContact O-N 3.48Å; R88-M92 PolarHBondContact O-N 3.49Å; R88-S169 PolarHBondContact NH1-OG 3.41Å; R88-E401 IonicContact CZ-OE1 3.89Å; R88-E401 IonicContact CZ-OE2 3.16Å; R88-E401 IonicContact NE-OE1 2.71Å; R88-E401 IonicContact NE-OE2 3.48Å; R88-E401 PolarHBondContact NE-OE2 2.86Å; R88-E401 IonicContact NH2-OE1 3.33Å; R88-E401 PolarHBondContact NH2-OE1 3.15Å; R88-E401 IonicContact NH2-OE2 3.07Å; R88-V407 HydrophobicContact CB-CG2 4.02Å; R88-V407 HydrophobicContact CG-CG2 4.15Å
89	L	96.4	Very high	93.8	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-60.5	-49.8	174.1	-179.9	162.9	0	0	0	110.4	I53 F65 V67 G85 I86 A91 M92 L93 I115 W370	I53-L89 HydrophobicContact CD1-CD1 3.98Å; I53-L89 HydrophobicContact CD1-CD2 3.72Å; I53-L89 HydrophobicContact CD1-CG 4.27Å; F65-L89 HydrophobicContact CB-CB 4.29Å; F65-L89 HydrophobicContact CD1-CB 4.32Å; F65-L89 HydrophobicContact CD2-CB 4.14Å; F65-L89 HydrophobicContact CD2-CG 4.3Å; F65-L89 HydrophobicContact CG-CB 3.97Å; V67-L89 HydrophobicContact CG2-CD1 3.83Å; G85-L89 WeakPolarHBondContact O-CB 3.47Å; G85-L89 PolarHBondContact O-N 3.39Å; I86-L89 PolarHBondContact O-N 2.97Å; L89-A91 PolarHBondContact O-N 2.95Å; L89-M92 WeakPolarHBondContact O-CB 3.46Å; L89-M92 PolarHBondContact O-N 3.48Å; L89-M92 VanDerWaalsContact O-N 3.1Å; L89-L93 HydrophobicContact CD2-CD1 3.6Å; L89-L93 HydrophobicContact CD2-CG 4.12Å; L89-L93 PolarHBondContact O-N 3.24Å; L89-L93 VanDerWaalsContact O-N 3.13Å; L89-I115 HydrophobicContact CD1-CG2 4.1Å; L89-I115 HydrophobicContact CG-CD1 4.49Å; L89-I115 HydrophobicContact CG-CG2 4.25Å; L89-W370 HydrophobicContact CD1-CE3 3.82Å; L89-W370 HydrophobicContact CD1-CZ3 3.77Å
90	E	96.4	Very high	94.2	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-62.8	-29.6	177.1	-73.8	-62.7	159	0	0	112.4	I86 L93 L94 F353 Y356 F357 L360 N365 N368	I86-E90 HydrophobicContact CG2-CG 4.32Å; I86-E90 WeakPolarHBondContact O-CB 3.49Å; I86-E90 WeakPolarHBondContact O-CG 3.43Å; I86-E90 PolarHBondContact O-N 3.35Å; E90-L93 PolarHBondContact O-N 3.43Å; E90-L94 WeakPolarHBondContact O-CB 3.32Å; E90-L94 PolarHBondContact O-N 3.15Å; E90-F353 HydrophobicContact CB-CE2 4.29Å; E90-F353 HydrophobicContact CB-CZ 4.41Å; E90-Y356 HydrophobicContact CB-CE1 4.2Å; E90-Y356 PolarHBondContact OE2-OH 3.04Å; E90-F357 HydrophobicContact CB-CD2 4.09Å; E90-F357 HydrophobicContact CB-CE2 4.22Å; E90-F357 HydrophobicContact CG-CD2 4.25Å; E90-F357 HydrophobicContact CG-CE2 4.03Å; E90-L360 HydrophobicContact CG-CD1 4.11Å; E90-N365 PolarHBondContact OE1-ND2 3.15Å; E90-N368 WeakPolarHBondContact OE1-CB 3.49Å; E90-N368 PolarHBondContact OE1-ND2 3.12Å
91	A	96.8	Very high	94.3	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-67.4	-36.3	174.1	0	0	0	0	0	112.5	Q87 R88 L89 A95 F353 I404 V407 I408	Q87-A91 WeakPolarHBondContact O-CB 3.27Å; Q87-A91 PolarHBondContact O-N 3.46Å; R88-A91 WeakPolarHBondContact O-CB 3.49Å; R88-A91 PolarHBondContact O-N 3.48Å; L89-A91 PolarHBondContact O-N 2.95Å; A91-A95 WeakPolarHBondContact O-CB 3.18Å; A91-A95 PolarHBondContact O-N 3.13Å; A91-F353 HydrophobicContact CB-CD2 4.08Å; A91-F353 HydrophobicContact CB-CE2 3.71Å; A91-F353 HydrophobicContact CB-CZ 4.32Å; A91-I404 HydrophobicContact CB-CG2 3.87Å; A91-V407 HydrophobicContact CB-CB 4.46Å; A91-V407 HydrophobicContact CB-CG1 4.3Å; A91-I408 HydrophobicContact CB-CG1 4.23Å
92	M	97.4	Very high	94.5	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-66.2	-43.1	171.7	172.3	170.4	175.4	0	0	111.3	I61 F65 R88 L89 A95 L96 A113 I115 I166 V407 V411	I61-M92 HydrophobicContact CG2-CE 4.01Å; F65-M92 HydrophobicContact CE2-CB 4.19Å; F65-M92 HydrophobicContact CE2-CG 4.47Å; F65-M92 HydrophobicContact CE2-SD 3.49Å; F65-M92 WeakPolarHBondContact CE2-SD 3.21Å; F65-M92 HydrophobicContact CZ-CB 3.65Å; F65-M92 HydrophobicContact CZ-CG 4.24Å; F65-M92 HydrophobicContact CZ-SD 3.58Å; F65-M92 VanDerWaalsContact CZ-SD 3.58Å; R88-M92 PolarHBondContact O-N 3.49Å; L89-M92 WeakPolarHBondContact O-CB 3.46Å; L89-M92 PolarHBondContact O-N 3.48Å; L89-M92 VanDerWaalsContact O-N 3.1Å; M92-A95 PolarHBondContact O-N 3.45Å; M92-L96 HydrophobicContact CE-CD1 4.08Å; M92-L96 HydrophobicContact CG-CD1 4.05Å; M92-L96 WeakPolarHBondContact O-CG 3.44Å; M92-L96 PolarHBondContact O-N 3.49Å; M92-A113 HydrophobicContact CE-CB 4.04Å; M92-I115 HydrophobicContact CE-CD1 4.43Å; M92-I115 HydrophobicContact CE-CG1 4.31Å; M92-I115 HydrophobicContact SD-CD1 4.18Å; M92-I115 HydrophobicContact SD-CG1 4.39Å; M92-I166 HydrophobicContact SD-CB 4.34Å; M92-V407 HydrophobicContact CB-CG1 4.12Å; M92-V411 HydrophobicContact CB-CG2 4.18Å; M92-V411 HydrophobicContact CG-CG2 3.84Å
93	L	96.9	Very high	94.6	Very high	0 Å²	0	29 Å²	29	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-61.5	-45.3	177.2	-63.9	178.8	0	0	0	111.7	I53 L55 L89 E90 A95 L96 D97 I115 R367	I53-L93 HydrophobicContact CD1-CD1 4.49Å; L55-L93 HydrophobicContact CD1-CD2 3.64Å; L89-L93 HydrophobicContact CD2-CD1 3.6Å; L89-L93 HydrophobicContact CD2-CG 4.12Å; L89-L93 PolarHBondContact O-N 3.24Å; L89-L93 VanDerWaalsContact O-N 3.13Å; E90-L93 PolarHBondContact O-N 3.43Å; L93-A95 PolarHBondContact O-N 3.33Å; L93-L96 PolarHBondContact O-N 3.17Å; L93-D97 VanDerWaalsContact O-CG 3.24Å; L93-D97 PolarHBondContact O-N 3.31Å; L93-I115 HydrophobicContact CD2-CD1 3.76Å; L93-I115 HydrophobicContact CG-CD1 4.32Å; L93-R367 HydrophobicContact CD1-CG 4.48Å
94	L	96.3	Very high	94.9	Very high	5 Å²	5	35.6 Å²	35.6	3%	0.026	15%	0.154	C	C	.	.	H	α-helix	trans	-58.9	-46.8	173.7	177.7	65	0	0	0	111.6	E90 L96 D97 E98 F353 Y356	E90-L94 WeakPolarHBondContact O-CB 3.32Å; E90-L94 PolarHBondContact O-N 3.15Å; L94-L96 VanDerWaalsContact C-N 3.31Å; L94-L96 PolarHBondContact O-N 2.99Å; L94-D97 PolarHBondContact O-N 3.2Å; L94-E98 HydrophobicContact CD1-CG 4.21Å; L94-E98 HydrophobicContact CG-CG 4.48Å; L94-E98 VanDerWaalsContact O-CG 3.32Å; L94-E98 WeakPolarHBondContact O-CG 3.48Å; L94-E98 PolarHBondContact O-N 3.33Å; L94-F353 HydrophobicContact CD2-CB 4.12Å; L94-F353 HydrophobicContact CD2-CD2 3.72Å; L94-F353 HydrophobicContact CD2-CG 4.42Å; L94-Y356 HydrophobicContact CB-CD1 4.11Å; L94-Y356 HydrophobicContact CB-CE1 4.03Å; L94-Y356 HydrophobicContact CD1-CD1 4.23Å; L94-Y356 HydrophobicContact CD1-CD2 3.86Å; L94-Y356 HydrophobicContact CD1-CE2 4.33Å; L94-Y356 HydrophobicContact CD1-CG 3.83Å; L94-Y356 HydrophobicContact CD2-CD1 4.02Å; L94-Y356 HydrophobicContact CD2-CG 4.16Å; L94-Y356 HydrophobicContact CG-CD1 4.35Å; L94-Y356 HydrophobicContact CG-CG 4.4Å
95	A	97.3	Very high	95.1	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-60.7	-41.2	-179.9	0	0	0	0	0	112	A91 M92 L93 E98 I99 I408 V411 Y412	A91-A95 WeakPolarHBondContact O-CB 3.18Å; A91-A95 PolarHBondContact O-N 3.13Å; M92-A95 PolarHBondContact O-N 3.45Å; L93-A95 PolarHBondContact O-N 3.33Å; A95-E98 PolarHBondContact O-N 2.84Å; A95-I99 WeakPolarHBondContact O-CB 3.44Å; A95-I99 WeakPolarHBondContact O-CD1 3.19Å; A95-I99 WeakPolarHBondContact O-CG1 3.06Å; A95-I99 PolarHBondContact O-N 3.04Å; A95-I408 HydrophobicContact CB-CG1 4.38Å; A95-I408 HydrophobicContact CB-CG2 4.16Å; A95-V411 HydrophobicContact CB-CB 3.96Å; A95-V411 HydrophobicContact CB-CG1 3.91Å; A95-V411 HydrophobicContact CB-CG2 4.31Å; A95-Y412 HydrophobicContact CB-CD2 4.34Å; A95-Y412 HydrophobicContact CB-CE2 4.12Å
96	L	96.9	Very high	95	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-64.8	-42.4	175.8	-70.8	167.7	0	0	0	112.1	I61 M92 L93 L94 E98 I99 N100 L111 A113 V411	I61-L96 HydrophobicContact CD1-CD2 4.43Å; M92-L96 HydrophobicContact CE-CD1 4.08Å; M92-L96 HydrophobicContact CG-CD1 4.05Å; M92-L96 WeakPolarHBondContact O-CG 3.44Å; M92-L96 PolarHBondContact O-N 3.49Å; L93-L96 PolarHBondContact O-N 3.17Å; L94-L96 VanDerWaalsContact C-N 3.31Å; L94-L96 PolarHBondContact O-N 2.99Å; L96-E98 VanDerWaalsContact C-N 3.3Å; L96-E98 PolarHBondContact O-N 3.06Å; L96-I99 PolarHBondContact O-N 3.04Å; L96-N100 VanDerWaalsContact O-CB 3.26Å; L96-N100 WeakPolarHBondContact O-CB 3.42Å; L96-N100 VanDerWaalsContact O-CG 3.23Å; L96-N100 PolarHBondContact O-N 3.28Å; L96-N100 PolarHBondContact O-ND2 3.09Å; L96-N100 VanDerWaalsContact O-ND2 3.11Å; L96-L111 HydrophobicContact CD2-CB 3.96Å; L96-L111 HydrophobicContact CD2-CD1 4.43Å; L96-A113 HydrophobicContact CD1-CB 3.59Å; L96-V411 HydrophobicContact CD2-CG1 3.99Å; L96-V411 HydrophobicContact CG-CG1 4.2Å
97	D	95.8	Very high	94.8	Very high	40 Å²	40	38.4 Å²	38.4	21%	0.214	17%	0.173	C	C	.	.	H	α-helix	trans	-60.6	-41.8	176.8	-67.9	-29	0	0	0	111.2	L93 L94 R101 R367	L93-D97 VanDerWaalsContact O-CG 3.24Å; L93-D97 PolarHBondContact O-N 3.31Å; L94-D97 PolarHBondContact O-N 3.2Å; D97-R101 VanDerWaalsContact O-CG 3.26Å; D97-R101 WeakPolarHBondContact O-CG 3.35Å; D97-R101 PolarHBondContact O-N 2.97Å; D97-R367 VanDerWaalsContact CG-NH1 3.34Å; D97-R367 IonicContact OD1-NH1 3.29Å; D97-R367 PolarHBondContact OD1-NH1 3.03Å; D97-R367 VanDerWaalsContact OD1-NH1 3.16Å; D97-R367 IonicContact OD2-CZ 3.39Å; D97-R367 VanDerWaalsContact OD2-CZ 3.29Å; D97-R367 IonicContact OD2-NH1 2.71Å; D97-R367 PolarHBondContact OD2-NH1 2.68Å; D97-R367 IonicContact OD2-NH2 2.9Å; D97-R367 PolarHBondContact OD2-NH2 3.13Å
98	E	95.9	Very high	94.4	Very high	44 Å²	44	40.8 Å²	40.8	21%	0.206	20%	0.2	C	C	.	.	H	α-helix	trans	-70	-42.6	179	-68.1	-65.2	129.7	0	0	112.3	L94 A95 L96 R101 D102 H352 F458	L94-E98 HydrophobicContact CD1-CG 4.21Å; L94-E98 HydrophobicContact CG-CG 4.48Å; L94-E98 VanDerWaalsContact O-CG 3.32Å; L94-E98 WeakPolarHBondContact O-CG 3.48Å; L94-E98 PolarHBondContact O-N 3.33Å; A95-E98 PolarHBondContact O-N 2.84Å; L96-E98 VanDerWaalsContact C-N 3.3Å; L96-E98 PolarHBondContact O-N 3.06Å; E98-R101 PolarHBondContact O-N 3.29Å; E98-R101 IonicContact OE1-NH1 2.75Å; E98-R101 PolarHBondContact OE1-NH1 2.62Å; E98-R101 VanDerWaalsContact OE1-NH1 3.15Å; E98-D102 PolarHBondContact O-N 3.37Å; E98-D102 VanDerWaalsContact O-N 3.11Å; E98-H352 IonicContact OE1-CE1 2.85Å; E98-F458 HydrophobicContact CG-CZ 4.09Å
99	I	96.6	Very high	94.2	Very high	3 Å²	3	41.1 Å²	41.1	2%	0.015	20%	0.202	C	C	.	.	H	α-helix	trans	-63.9	-43.7	176.3	-69.3	159.7	0	0	0	110.7	A95 L96 R101 D102 I105 L111 V411 Y412 A415	A95-I99 WeakPolarHBondContact O-CB 3.44Å; A95-I99 WeakPolarHBondContact O-CD1 3.19Å; A95-I99 WeakPolarHBondContact O-CG1 3.06Å; A95-I99 PolarHBondContact O-N 3.04Å; L96-I99 PolarHBondContact O-N 3.04Å; I99-R101 PolarHBondContact O-N 3.46Å; I99-D102 PolarHBondContact O-N 3.41Å; I99-D102 VanDerWaalsContact O-N 3.12Å; I99-I105 HydrophobicContact CG2-CG2 4.2Å; I99-L111 HydrophobicContact CG2-CD1 3.89Å; I99-V411 HydrophobicContact CD1-CG1 3.76Å; I99-Y412 HydrophobicContact CD1-CD1 4.4Å; I99-Y412 HydrophobicContact CD1-CD2 3.88Å; I99-Y412 HydrophobicContact CD1-CE1 4.46Å; I99-Y412 HydrophobicContact CD1-CE2 3.95Å; I99-Y412 HydrophobicContact CD1-CG 4.13Å; I99-Y412 HydrophobicContact CG1-CD1 4.25Å; I99-Y412 HydrophobicContact CG1-CD2 4.26Å; I99-Y412 HydrophobicContact CG1-CE1 3.89Å; I99-Y412 HydrophobicContact CG1-CE2 3.91Å; I99-Y412 HydrophobicContact CG1-CG 4.44Å; I99-A415 HydrophobicContact CD1-CB 3.78Å; I99-A415 HydrophobicContact CG1-CB 4.44Å; I99-A415 HydrophobicContact CG2-CB 4.03Å
100	N	96.2	Very high	94.1	Very high	53 Å²	53	48 Å²	48	28%	0.283	23%	0.228	S	C	.	.	H	α-helix	trans	-67.9	-17.3	179.5	-74.5	-33.4	0	0	0	113.3	L96 L111	L96-N100 VanDerWaalsContact O-CB 3.26Å; L96-N100 WeakPolarHBondContact O-CB 3.42Å; L96-N100 VanDerWaalsContact O-CG 3.23Å; L96-N100 PolarHBondContact O-N 3.28Å; L96-N100 PolarHBondContact O-ND2 3.09Å; L96-N100 VanDerWaalsContact O-ND2 3.11Å; N100-L111 PolarHBondContact ND2-O 3.37Å; N100-L111 PolarHBondContact OD1-N 3.06Å
101	R	95.3	Very high	94	Very high	176 Å²	176	48.2 Å²	48.2	66%	0.664	23%	0.229	S	C	*	.	H	α-helix	trans	-90.9	-20.4	172.6	-72.8	172.3	-174.1	158	2.4	113.3	D97 E98 I99 E103	D97-R101 VanDerWaalsContact O-CG 3.26Å; D97-R101 WeakPolarHBondContact O-CG 3.35Å; D97-R101 PolarHBondContact O-N 2.97Å; E98-R101 PolarHBondContact O-N 3.29Å; E98-R101 IonicContact OE1-NH1 2.75Å; E98-R101 PolarHBondContact OE1-NH1 2.62Å; E98-R101 VanDerWaalsContact OE1-NH1 3.15Å; I99-R101 PolarHBondContact O-N 3.46Å; R101-E103 PolarHBondContact O-N 3.14Å
102	D	93.5	Very high	93.9	Very high	32 Å²	32	48.2 Å²	48.2	17%	0.171	23%	0.229	C	C	.	.			trans	-85.3	109.3	-176.6	-168.1	-14.8	0	0	0	111.4	E98 I99 R104 I105	E98-D102 PolarHBondContact O-N 3.37Å; E98-D102 VanDerWaalsContact O-N 3.11Å; I99-D102 PolarHBondContact O-N 3.41Å; I99-D102 VanDerWaalsContact O-N 3.12Å; D102-R104 PolarHBondContact O-N 2.99Å; D102-R104 VanDerWaalsContact O-N 3.12Å; D102-R104 VanDerWaalsContact OD1-CB 3.23Å; D102-R104 WeakPolarHBondContact OD1-CB 3.39Å; D102-R104 WeakPolarHBondContact OD1-CG 3.48Å; D102-R104 IonicContact OD1-CZ 2.6Å; D102-R104 PolarHBondContact OD1-N 3.43Å; D102-R104 IonicContact OD1-NE 2.72Å; D102-R104 PolarHBondContact OD1-NE 3.38Å; D102-R104 IonicContact OD1-NH2 3.37Å; D102-R104 IonicContact OD2-CZ 2.69Å; D102-R104 IonicContact OD2-NE 3.88Å; D102-R104 PolarHBondContact OD2-NE 3.24Å; D102-R104 IonicContact OD2-NH2 2.76Å; D102-R104 PolarHBondContact OD2-NH2 3.24Å; D102-I105 PolarHBondContact O-N 3.47Å; D102-I105 VanDerWaalsContact O-O 3.1Å
103	E	89.9	Confident	93.8	Very high	168 Å²	168	48.2 Å²	48.2	79%	0.785	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-12	178.1	-62.6	-172.6	168.5	0	0	113.9	R101 P107	R101-E103 PolarHBondContact O-N 3.14Å; E103-P107 VanDerWaalsContact O-CB 3.31Å; E103-P107 WeakPolarHBondContact O-CB 3.32Å; E103-P107 WeakPolarHBondContact O-CD 3.22Å; E103-P107 WeakPolarHBondContact O-CG 3.35Å
104	R	91.3	Very high	93.7	Very high	190 Å²	190	48.7 Å²	48.7	72%	0.717	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-32	179.1	-58.9	171.8	-64.8	177.2	4.2	112	D102 H419	D102-R104 PolarHBondContact O-N 2.99Å; D102-R104 VanDerWaalsContact O-N 3.12Å; D102-R104 VanDerWaalsContact OD1-CB 3.23Å; D102-R104 WeakPolarHBondContact OD1-CB 3.39Å; D102-R104 WeakPolarHBondContact OD1-CG 3.48Å; D102-R104 IonicContact OD1-CZ 2.6Å; D102-R104 PolarHBondContact OD1-N 3.43Å; D102-R104 IonicContact OD1-NE 2.72Å; D102-R104 PolarHBondContact OD1-NE 3.38Å; D102-R104 IonicContact OD1-NH2 3.37Å; D102-R104 IonicContact OD2-CZ 2.69Å; D102-R104 IonicContact OD2-NE 3.88Å; D102-R104 PolarHBondContact OD2-NE 3.24Å; D102-R104 IonicContact OD2-NH2 2.76Å; D102-R104 PolarHBondContact OD2-NH2 3.24Å; R104-H419 PolarHBondContact O-CE1 2.94Å
105	I	91.1	Very high	93.7	Very high	32 Å²	32	48.4 Å²	48.4	16%	0.164	23%	0.23	C	C	.	.	S	Bend	trans	-109.2	116.4	-177	-57.4	177.9	0	0	0	108.2	I99 D102 Y412 A415 H419	I99-I105 HydrophobicContact CG2-CG2 4.2Å; D102-I105 PolarHBondContact O-N 3.47Å; D102-I105 VanDerWaalsContact O-O 3.1Å; I105-Y412 HydrophobicContact CD1-CD1 4.3Å; I105-Y412 HydrophobicContact CD1-CE1 4.24Å; I105-A415 HydrophobicContact CG2-CB 4.21Å; I105-H419 HydrophobicContact CG2-CB 4.36Å
106	L	91.1	Very high	93.5	Very high	3 Å²	3	48.4 Å²	48.4	2%	0.016	23%	0.23	C	C	.	.	S	Bend	trans	54.8	48.7	-178.9	-65	168.4	0	0	0	115.6	G108 I109 L111 A415 L418 H419 R422	L106-G108 PolarHBondContact O-N 3.29Å; L106-I109 HydrophobicContact CB-CB 4.36Å; L106-I109 PolarHBondContact O-N 2.83Å; L106-L111 HydrophobicContact CD1-CD1 3.86Å; L106-L111 HydrophobicContact CD1-CD2 3.8Å; L106-L111 HydrophobicContact CD1-CG 3.91Å; L106-A415 HydrophobicContact CD1-CB 4.43Å; L106-L418 HydrophobicContact CD1-CB 4.15Å; L106-L418 HydrophobicContact CD2-CB 4.21Å; L106-H419 HydrophobicContact CD2-CB 4.1Å; L106-H419 HydrophobicContact CG-CB 4.11Å; L106-H419 PolarHBondContact N-ND1 2.59Å; L106-R422 VanDerWaalsContact C-NH1 3.35Å
107	P	89.9	Confident	93.5	Very high	45 Å²	45	48.7 Å²	48.7	29%	0.292	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	127.6	177.9	17.9	-32.1	0	0	0	113	E103 I109 R422	E103-P107 VanDerWaalsContact O-CB 3.31Å; E103-P107 WeakPolarHBondContact O-CB 3.32Å; E103-P107 WeakPolarHBondContact O-CD 3.22Å; E103-P107 WeakPolarHBondContact O-CG 3.35Å; P107-I109 VanDerWaalsContact C-N 3.34Å; P107-R422 VanDerWaalsContact CD-NH1 3.32Å; P107-R422 VanDerWaalsContact CG-NH2 3.26Å; P107-R422 VanDerWaalsContact N-NH1 3.18Å; P107-R422 PolarHBondContact O-NH1 3.26Å
108	G	87.1	Confident	93.4	Very high	61 Å²	61	46.8 Å²	46.8	63%	0.629	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.4	2.8	179.4	0	0	0	0	0	115.5	L106 T430	L106-G108 PolarHBondContact O-N 3.29Å; G108-T430 CarbonylContact C-O 3.54Å; G108-T430 VanDerWaalsContact C-O 3.31Å
109	I	90.4	Very high	93.2	Very high	11 Å²	11	44.7 Å²	44.7	6%	0.056	21%	0.211	C	C	.	.			trans	-122.7	125.1	176	-60	-179.6	0	0	0	108.6	D58 L59 L106 P107 R422 T430 V432 L436	D58-I109 HydrophobicContact CB-CG2 4.04Å; D58-I109 WeakPolarHBondContact OD2-CA 3.17Å; L59-I109 HydrophobicContact CD1-CG2 3.93Å; L59-I109 HydrophobicContact CG-CG2 4.13Å; L106-I109 HydrophobicContact CB-CB 4.36Å; L106-I109 PolarHBondContact O-N 2.83Å; P107-I109 VanDerWaalsContact C-N 3.34Å; I109-R422 HydrophobicContact CD1-CG 4.33Å; I109-T430 WeakPolarHBondContact CG1-O 3.34Å; I109-V432 HydrophobicContact CD1-CG2 4.03Å; I109-V432 HydrophobicContact CG1-CG2 4.2Å; I109-V432 HydrophobicContact CG2-CG2 3.88Å; I109-L436 HydrophobicContact CD1-CD2 4.23Å
110	R	93.4	Very high	92.9	Very high	145 Å²	145	45.5 Å²	45.5	55%	0.547	22%	0.217	S	C	.	.	P	Polyproline II helix	trans	-94.8	129.2	175.8	-169.1	177	178.3	-165.7	-3.4	110.7	G57 D58 L59	G57-R110 CarbonylContact C-O 3.49Å; D58-R110 PolarHBondContact N-O 3.11Å; D58-R110 PolarHBondContact OD2-N 3.09Å; L59-R110 PolarHBondContact N-O 3.18Å
111	L	94.6	Very high	92.5	Very high	3 Å²	3	45.1 Å²	45.1	2%	0.016	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	121.8	170.9	-64.3	-177.8	0	0	0	110.4	L59 I61 L96 I99 N100 L106 A415 L418	L59-L111 HydrophobicContact CB-CD2 3.93Å; L59-L111 HydrophobicContact CD1-CD2 4.38Å; I61-L111 HydrophobicContact CD1-CD1 3.99Å; I61-L111 HydrophobicContact CD1-CD2 4.32Å; L96-L111 HydrophobicContact CD2-CB 3.96Å; L96-L111 HydrophobicContact CD2-CD1 4.43Å; I99-L111 HydrophobicContact CG2-CD1 3.89Å; N100-L111 PolarHBondContact ND2-O 3.37Å; N100-L111 PolarHBondContact OD1-N 3.06Å; L106-L111 HydrophobicContact CD1-CD1 3.86Å; L106-L111 HydrophobicContact CD1-CD2 3.8Å; L106-L111 HydrophobicContact CD1-CG 3.91Å; L111-A415 HydrophobicContact CD1-CB 3.8Å; L111-L418 HydrophobicContact CD2-CD1 3.91Å
112	G	94.8	Very high	92.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	173.6	169.9	0	0	0	0	0	111.6	L55 L59 I61	L55-G112 CarbonylContact O-C 3.57Å; L55-G112 WeakPolarHBondContact O-CA 3.39Å; L59-G112 PolarHBondContact O-N 3.07Å; I61-G112 PolarHBondContact N-O 3.42Å
113	A	95.3	Very high	92.1	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	147.2	-178.6	0	0	0	0	0	113	T54 L55 I61 M92 L96 I115	T54-A113 CarbonylContact C-O 3.46Å; T54-A113 WeakPolarHBondContact CA-O 3.46Å; L55-A113 HydrophobicContact CB-CB 4.36Å; L55-A113 HydrophobicContact CD1-CB 4.35Å; L55-A113 PolarHBondContact N-O 3.28Å; L55-A113 PolarHBondContact O-N 3.4Å; I61-A113 CarbonylContact O-C 3.55Å; I61-A113 WeakPolarHBondContact O-CA 3.47Å; M92-A113 HydrophobicContact CE-CB 4.04Å; L96-A113 HydrophobicContact CD1-CB 3.59Å; A113-I115 HydrophobicContact CB-CG1 4.27Å
114	H	94.5	Very high	92.2	Very high	10 Å²	10	35.6 Å²	35.6	5%	0.046	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	105.9	169.2	-173.1	-163.3	0	0	0	108.5	E52 I53 I61 G62 G63 F132 I162	E52-H114 VanDerWaalsContact CD-NE2 3.3Å; E52-H114 IonicContact OE1-NE2 3.35Å; E52-H114 IonicContact OE2-CD2 2.87Å; E52-H114 IonicContact OE2-CE1 3.4Å; E52-H114 IonicContact OE2-NE2 2.79Å; E52-H114 PolarHBondContact OE2-NE2 2.74Å; I53-H114 CarbonylContact O-C 3.52Å; I53-H114 VanDerWaalsContact O-CA 3.3Å; I53-H114 WeakPolarHBondContact O-CA 3.31Å; I61-H114 PolarHBondContact O-N 3.26Å; G62-H114 CarbonylContact C-O 3.56Å; G62-H114 WeakPolarHBondContact CA-O 3.41Å; G63-H114 PolarHBondContact N-O 3.1Å; H114-F132 HydrophobicContact CB-CE1 4.31Å; H114-F132 AromaticContact ND1-CD1 3.97Å; H114-F132 AromaticContact ND1-CE1 3.99Å; H114-F132 WeakPolarHBondContact O-CE1 3.14Å; H114-I162 HydrophobicContact CB-CD1 4.04Å
115	I	95.8	Very high	92.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	128.3	-171.7	-51.7	174.9	0	0	0	110.4	I53 G63 F65 L89 M92 L93 A113	I53-I115 HydrophobicContact CB-CB 4.07Å; I53-I115 HydrophobicContact CD1-CD1 4.49Å; I53-I115 PolarHBondContact N-O 3.25Å; I53-I115 PolarHBondContact O-N 3.19Å; G63-I115 WeakPolarHBondContact O-CA 3.47Å; F65-I115 HydrophobicContact CD2-CG2 3.5Å; F65-I115 HydrophobicContact CE2-CG2 3.91Å; L89-I115 HydrophobicContact CD1-CG2 4.1Å; L89-I115 HydrophobicContact CG-CD1 4.49Å; L89-I115 HydrophobicContact CG-CG2 4.25Å; M92-I115 HydrophobicContact CE-CD1 4.43Å; M92-I115 HydrophobicContact CE-CG1 4.31Å; M92-I115 HydrophobicContact SD-CD1 4.18Å; M92-I115 HydrophobicContact SD-CG1 4.39Å; L93-I115 HydrophobicContact CD2-CD1 3.76Å; L93-I115 HydrophobicContact CG-CD1 4.32Å; A113-I115 HydrophobicContact CB-CG1 4.27Å
116	L	95.1	Very high	92.3	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	150.9	-178.2	-58.6	173.6	0	0	0	110.9	E52 G63 L64 F65 Q128 E131 F132	E52-L116 HydrophobicContact CB-CD2 3.69Å; G63-L116 PolarHBondContact O-N 2.68Å; L64-L116 HydrophobicContact CD2-CB 4.07Å; F65-L116 PolarHBondContact N-O 3.26Å; L116-Q128 HydrophobicContact CB-CB 4.31Å; L116-Q128 HydrophobicContact CD1-CB 4.15Å; L116-Q128 WeakPolarHBondContact CD1-O 3.23Å; L116-E131 HydrophobicContact CD1-CB 4.11Å; L116-E131 HydrophobicContact CD1-CG 4.41Å; L116-F132 HydrophobicContact CB-CZ 4.5Å; L116-F132 HydrophobicContact CD1-CD1 4.28Å; L116-F132 HydrophobicContact CD1-CE1 3.67Å; L116-F132 HydrophobicContact CD1-CE2 4.38Å; L116-F132 HydrophobicContact CD1-CZ 3.74Å; L116-F132 HydrophobicContact CG-CE1 4.11Å; L116-F132 HydrophobicContact CG-CZ 4.12Å
117	D	95.4	Very high	92.3	Very high	6 Å²	6	33 Å²	33	3%	0.032	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	143.5	173.1	-170.2	8.3	0	0	0	110.9	F65 V67 H68 C119 Y124 Q128 W370	F65-D117 VanDerWaalsContact O-OD1 3.1Å; V67-D117 HydrophobicContact CB-CB 4.17Å; V67-D117 VanDerWaalsContact CB-CG 3.49Å; V67-D117 WeakPolarHBondContact CB-OD1 3.27Å; V67-D117 HydrophobicContact CG2-CB 4.17Å; V67-D117 PolarHBondContact N-OD1 3.39Å; H68-D117 IonicContact CE1-OD2 3.75Å; H68-D117 IonicContact CG-OD2 3.89Å; H68-D117 PolarHBondContact N-OD1 3.07Å; H68-D117 PolarHBondContact N-OD2 3.36Å; H68-D117 IonicContact ND1-OD2 3.15Å; H68-D117 PolarHBondContact ND1-OD2 2.89Å; D117-C119 VanDerWaalsContact CG-SG 3.55Å; D117-C119 PolarHBondContact OD1-N 2.96Å; D117-C119 PolarHBondContact OD2-SG 3.33Å; D117-Y124 WeakPolarHBondContact O-CE1 3.05Å; D117-Q128 WeakPolarHBondContact O-CG 3.44Å; D117-W370 HydrophobicContact CB-CZ2 4.08Å
118	T	94.4	Very high	92.3	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.006	17%	0.165	C	C	.	.			trans	-101.3	-13.3	174.6	57.1	0	0	0	0	112.9	L64 F65 P66 S120 K121 A125 V173	L64-T118 HydrophobicContact CB-CG2 3.71Å; L64-T118 HydrophobicContact CD2-CG2 3.95Å; L64-T118 HydrophobicContact CG-CG2 4.32Å; F65-T118 VanDerWaalsContact C-OG1 3.28Å; F65-T118 PolarHBondContact O-N 3.3Å; F65-T118 PolarHBondContact O-OG1 2.74Å; P66-T118 WeakPolarHBondContact CA-OG1 3.33Å; T118-S120 PolarHBondContact O-N 2.78Å; T118-K121 PolarHBondContact O-N 2.65Å; T118-A125 HydrophobicContact CG2-CB 3.88Å; T118-V173 HydrophobicContact CG2-CG1 4.14Å
119	C	91.9	Very high	92.6	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	23.9	-174.1	-62.1	0	0	0	0	114.1	H68 Q69 K70 C77 D117 K121 Y124	H68-C119 CarbonylContact O-C 3.49Å; H68-C119 VanDerWaalsContact O-C 3.23Å; H68-C119 WeakPolarHBondContact O-CA 3.11Å; Q69-C119 CarbonylContact C-O 3.53Å; K70-C119 WeakPolarHBondContact CA-O 3.37Å; K70-C119 PolarHBondContact N-O 3.45Å; C77-C119 HydrophobicContact CB-CB 3.78Å; C77-C119 WeakPolarHBondContact CB-SG 3.41Å; C77-C119 WeakPolarHBondContact SG-CB 3.19Å; C77-C119 CovalentContact SG-SG 2.01Å; C77-C119 PolarHBondContact SG-SG 2.94Å; D117-C119 VanDerWaalsContact CG-SG 3.55Å; D117-C119 PolarHBondContact OD1-N 2.96Å; D117-C119 PolarHBondContact OD2-SG 3.33Å; C119-K121 PolarHBondContact O-N 3.37Å; C119-Y124 HydrophobicContact CB-CD1 3.78Å; C119-Y124 HydrophobicContact CB-CE1 4.06Å; C119-Y124 HydrophobicContact CB-CG 4.33Å; C119-Y124 WeakPolarHBondContact SG-CE1 3.43Å
120	S	89.2	Confident	92.6	Very high	20 Å²	20	31.9 Å²	31.9	14%	0.14	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	26.4	-173.9	-46.6	0	0	0	0	113.6	P66 H68 T118 Y170	P66-S120 WeakPolarHBondContact CB-OG 3.48Å; H68-S120 PolarHBondContact O-N 2.81Å; H68-S120 PolarHBondContact O-OG 3.36Å; T118-S120 PolarHBondContact O-N 2.78Å; S120-Y170 WeakPolarHBondContact OG-CE2 3.47Å
121	K	89	Confident	92.3	Very high	45 Å²	45	27.2 Å²	27.2	20%	0.196	14%	0.139	C	C	.	.			trans	-127.2	122.7	-176.5	-176.2	177.8	175.7	-175.2	0	108.9	K70 D76 T118 C119 T123 Y124 A125	K70-K121 HydrophobicContact CG-CB 4.34Å; D76-K121 IonicContact OD1-NZ 3.13Å; D76-K121 PolarHBondContact OD1-NZ 2.87Å; T118-K121 PolarHBondContact O-N 2.65Å; C119-K121 PolarHBondContact O-N 3.37Å; K121-T123 WeakPolarHBondContact CE-OG1 3.28Å; K121-Y124 PolarHBondContact O-N 2.78Å; K121-A125 VanDerWaalsContact O-CB 3.31Å; K121-A125 WeakPolarHBondContact O-CB 3.46Å; K121-A125 PolarHBondContact O-N 3.32Å
122	D	89.1	Confident	92.1	Very high	52 Å²	52	27.1 Å²	27.1	28%	0.278	14%	0.138	S	C	.	.	H	α-helix	trans	-59.5	-46.4	-175.7	58.3	-17.1	0	0	0	113.7	A125 L126 V173 Q176	D122-A125 PolarHBondContact O-N 2.98Å; D122-L126 WeakPolarHBondContact O-CB 3.31Å; D122-L126 PolarHBondContact O-N 2.91Å; D122-V173 HydrophobicContact CB-CG2 4.41Å; D122-Q176 HydrophobicContact CB-CG 3.94Å
123	T	90.2	Very high	91.7	Very high	82 Å²	82	27.1 Å²	27.1	50%	0.503	14%	0.138	S	C	.	.	H	α-helix	trans	-64.9	-44.4	177.9	40.4	0	0	0	0	112.7	K121 L126 E127	K121-T123 WeakPolarHBondContact CE-OG1 3.28Å; T123-L126 PolarHBondContact O-N 3.42Å; T123-E127 PolarHBondContact O-N 3.09Å
124	Y	91.7	Very high	91.1	Very high	41 Å²	41	33.6 Å²	33.6	16%	0.161	16%	0.163	C	C	.	.	H	α-helix	trans	-63.7	-49	175.6	-176.9	-94.6	0	0	0	110.7	D76 D117 C119 K121 L126 E127 Q128	D76-Y124 HydrophobicContact CB-CD2 3.67Å; D76-Y124 HydrophobicContact CB-CE2 4.03Å; D76-Y124 HydrophobicContact CB-CG 4.39Å; D117-Y124 WeakPolarHBondContact O-CE1 3.05Å; C119-Y124 HydrophobicContact CB-CD1 3.78Å; C119-Y124 HydrophobicContact CB-CE1 4.06Å; C119-Y124 HydrophobicContact CB-CG 4.33Å; C119-Y124 WeakPolarHBondContact SG-CE1 3.43Å; K121-Y124 PolarHBondContact O-N 2.78Å; Y124-L126 VanDerWaalsContact C-N 3.26Å; Y124-L126 PolarHBondContact O-N 2.85Å; Y124-E127 WeakPolarHBondContact O-CB 3.31Å; Y124-E127 PolarHBondContact O-N 3.23Å; Y124-Q128 HydrophobicContact CD1-CG 3.79Å; Y124-Q128 HydrophobicContact CE1-CG 3.5Å; Y124-Q128 VanDerWaalsContact CE1-CG 3.5Å; Y124-Q128 HydrophobicContact CG-CG 4.48Å; Y124-Q128 VanDerWaalsContact O-CG 3.3Å; Y124-Q128 WeakPolarHBondContact O-CG 3.39Å; Y124-Q128 PolarHBondContact O-N 3.47Å
125	A	93.3	Very high	89.9	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-60	-34.5	178.6	0	0	0	0	0	113.4	T118 K121 D122 Q128 S129 V173 V177	T118-A125 HydrophobicContact CG2-CB 3.88Å; K121-A125 VanDerWaalsContact O-CB 3.31Å; K121-A125 WeakPolarHBondContact O-CB 3.46Å; K121-A125 PolarHBondContact O-N 3.32Å; D122-A125 PolarHBondContact O-N 2.98Å; A125-Q128 PolarHBondContact O-N 2.92Å; A125-S129 WeakPolarHBondContact O-CB 3.43Å; A125-S129 PolarHBondContact O-N 3.34Å; A125-S129 PolarHBondContact O-OG 3.11Å; A125-V173 HydrophobicContact CB-CG1 3.47Å; A125-V173 VanDerWaalsContact CB-CG1 3.47Å; A125-V173 HydrophobicContact CB-CG2 4.43Å; A125-V177 HydrophobicContact CB-CG2 4.46Å
126	L	92.4	Very high	88.6	Confident	58 Å²	58	36.5 Å²	36.5	30%	0.304	19%	0.185	S	C	.	.	H	α-helix	trans	-63.5	-45.5	173.5	178.4	63.5	0	0	0	111.5	D122 T123 Y124 Q128 S129 L130 Q176 L180	D122-L126 WeakPolarHBondContact O-CB 3.31Å; D122-L126 PolarHBondContact O-N 2.91Å; T123-L126 PolarHBondContact O-N 3.42Å; Y124-L126 VanDerWaalsContact C-N 3.26Å; Y124-L126 PolarHBondContact O-N 2.85Å; L126-Q128 VanDerWaalsContact C-N 3.35Å; L126-S129 PolarHBondContact O-N 3.44Å; L126-L130 PolarHBondContact O-N 3.06Å; L126-Q176 HydrophobicContact CB-CB 4.4Å; L126-L180 HydrophobicContact CD1-CB 3.83Å; L126-L180 HydrophobicContact CD1-CD2 4.02Å; L126-L180 HydrophobicContact CD1-CG 4.48Å
127	E	91	Very high	87.6	Confident	112 Å²	112	41.7 Å²	41.7	52%	0.523	21%	0.212	S	C	.	.	H	α-helix	trans	-60.1	-45.1	175.1	-175.9	-175.7	174.2	0	0	111.3	T123 Y124 S129 L130	T123-E127 PolarHBondContact O-N 3.09Å; Y124-E127 WeakPolarHBondContact O-CB 3.31Å; Y124-E127 PolarHBondContact O-N 3.23Å; E127-S129 VanDerWaalsContact C-N 3.28Å; E127-S129 PolarHBondContact O-N 2.92Å; E127-L130 VanDerWaalsContact O-CB 3.3Å; E127-L130 WeakPolarHBondContact O-CB 3.44Å; E127-L130 PolarHBondContact O-N 2.89Å; E127-L130 VanDerWaalsContact O-N 3.16Å
128	Q	90.4	Very high	86.2	Confident	8 Å²	8	44.4 Å²	44.4	4%	0.037	23%	0.229	C	C	.	.	H	α-helix	trans	-60.9	-39.8	176.4	-61.7	-57.6	-57.1	0	0	111.8	L116 D117 Y124 A125 L126 L130 E131	L116-Q128 HydrophobicContact CB-CB 4.31Å; L116-Q128 HydrophobicContact CD1-CB 4.15Å; L116-Q128 WeakPolarHBondContact CD1-O 3.23Å; D117-Q128 WeakPolarHBondContact O-CG 3.44Å; Y124-Q128 HydrophobicContact CD1-CG 3.79Å; Y124-Q128 HydrophobicContact CE1-CG 3.5Å; Y124-Q128 VanDerWaalsContact CE1-CG 3.5Å; Y124-Q128 HydrophobicContact CG-CG 4.48Å; Y124-Q128 VanDerWaalsContact O-CG 3.3Å; Y124-Q128 WeakPolarHBondContact O-CG 3.39Å; Y124-Q128 PolarHBondContact O-N 3.47Å; A125-Q128 PolarHBondContact O-N 2.92Å; L126-Q128 VanDerWaalsContact C-N 3.35Å; Q128-L130 PolarHBondContact O-N 3.16Å; Q128-L130 VanDerWaalsContact O-N 3.14Å; Q128-E131 PolarHBondContact O-N 2.94Å; Q128-E131 VanDerWaalsContact O-N 3.09Å
129	S	92.4	Very high	84.4	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-66.5	-14.2	-180	-59.4	0	0	0	0	113.8	A125 L126 E127 E131 F132 V177	A125-S129 WeakPolarHBondContact O-CB 3.43Å; A125-S129 PolarHBondContact O-N 3.34Å; A125-S129 PolarHBondContact O-OG 3.11Å; L126-S129 PolarHBondContact O-N 3.44Å; E127-S129 VanDerWaalsContact C-N 3.28Å; E127-S129 PolarHBondContact O-N 2.92Å; S129-E131 PolarHBondContact O-N 3.37Å; S129-F132 PolarHBondContact O-N 3.27Å; S129-V177 WeakPolarHBondContact OG-CG2 3.32Å
130	L	90.7	Very high	82.5	Confident	86 Å²	86	56.6 Å²	56.6	45%	0.45	29%	0.288	S	S	.	.	H	α-helix	trans	-62.9	-27	171.5	-67.6	171.1	0	0	0	112.2	L126 E127 Q128 F132 V133 R134 L180	L126-L130 PolarHBondContact O-N 3.06Å; E127-L130 VanDerWaalsContact O-CB 3.3Å; E127-L130 WeakPolarHBondContact O-CB 3.44Å; E127-L130 PolarHBondContact O-N 2.89Å; E127-L130 VanDerWaalsContact O-N 3.16Å; Q128-L130 PolarHBondContact O-N 3.16Å; Q128-L130 VanDerWaalsContact O-N 3.14Å; L130-F132 VanDerWaalsContact C-N 3.31Å; L130-F132 PolarHBondContact O-N 2.92Å; L130-V133 HydrophobicContact CD2-CG2 4.46Å; L130-V133 WeakPolarHBondContact O-CG2 3.38Å; L130-V133 PolarHBondContact O-N 3.31Å; L130-R134 PolarHBondContact O-N 3.45Å; L130-L180 HydrophobicContact CD2-CD1 4.08Å; L130-L180 HydrophobicContact CD2-CD2 3.94Å; L130-L180 HydrophobicContact CG-CD2 4.39Å
131	E	87.9	Confident	80.6	Confident	48 Å²	48	61.5 Å²	61.5	22%	0.224	31%	0.313	C	S	.	.	H	α-helix	trans	-65.6	-34.9	176.1	-62	-63.4	171.8	0	0	111.9	K50 L116 Q128 S129 V133 R134	K50-E131 IonicContact NZ-OE1 3.51Å; K50-E131 PolarHBondContact NZ-OE1 2.98Å; L116-E131 HydrophobicContact CD1-CB 4.11Å; L116-E131 HydrophobicContact CD1-CG 4.41Å; Q128-E131 PolarHBondContact O-N 2.94Å; Q128-E131 VanDerWaalsContact O-N 3.09Å; S129-E131 PolarHBondContact O-N 3.37Å; E131-V133 PolarHBondContact O-N 3.12Å; E131-R134 VanDerWaalsContact O-CB 3.25Å; E131-R134 WeakPolarHBondContact O-CB 3.41Å; E131-R134 PolarHBondContact O-N 3.48Å; E131-R134 IonicContact OE1-NH1 2.76Å; E131-R134 VanDerWaalsContact OE2-CD 3.31Å; E131-R134 WeakPolarHBondContact OE2-CD 3.37Å; E131-R134 IonicContact OE2-CZ 2.65Å; E131-R134 IonicContact OE2-NH1 3.68Å; E131-R134 PolarHBondContact OE2-NH1 3.48Å
132	F	89.4	Confident	78.8	Confident	1 Å²	1	66 Å²	66	0%	0.004	34%	0.339	C	S	.	.	H	α-helix	trans	-66.1	-24.9	179.2	-62	-32.7	0	0	0	113.4	L64 H114 L116 S129 L130 I162 V165	L64-F132 HydrophobicContact CD1-CE2 4.01Å; L64-F132 HydrophobicContact CD2-CE2 3.73Å; L64-F132 HydrophobicContact CD2-CZ 3.99Å; L64-F132 HydrophobicContact CG-CE2 3.68Å; L64-F132 HydrophobicContact CG-CZ 4.12Å; H114-F132 HydrophobicContact CB-CE1 4.31Å; H114-F132 AromaticContact ND1-CD1 3.97Å; H114-F132 AromaticContact ND1-CE1 3.99Å; H114-F132 WeakPolarHBondContact O-CE1 3.14Å; L116-F132 HydrophobicContact CB-CZ 4.5Å; L116-F132 HydrophobicContact CD1-CD1 4.28Å; L116-F132 HydrophobicContact CD1-CE1 3.67Å; L116-F132 HydrophobicContact CD1-CE2 4.38Å; L116-F132 HydrophobicContact CD1-CZ 3.74Å; L116-F132 HydrophobicContact CG-CE1 4.11Å; L116-F132 HydrophobicContact CG-CZ 4.12Å; S129-F132 PolarHBondContact O-N 3.27Å; L130-F132 VanDerWaalsContact C-N 3.31Å; L130-F132 PolarHBondContact O-N 2.92Å; F132-I162 HydrophobicContact CB-CB 4.49Å; F132-I162 HydrophobicContact CB-CG1 3.97Å; F132-I162 HydrophobicContact CD1-CD1 4.24Å; F132-I162 HydrophobicContact CD1-CG1 3.88Å; F132-I162 HydrophobicContact CG-CG1 4.25Å; F132-V165 HydrophobicContact CD2-CG1 4.4Å; F132-V165 HydrophobicContact CD2-CG2 3.79Å; F132-V165 HydrophobicContact CE2-CG1 3.96Å; F132-V165 HydrophobicContact CE2-CG2 4.12Å; F132-V165 HydrophobicContact CG-CG2 4.33Å
133	V	87	Confident	77.2	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-99.9	-5.1	-179.8	-58.2	0	0	0	0	112.3	L130 E131 A135 S136 L137 L181 F184 I186	L130-V133 HydrophobicContact CD2-CG2 4.46Å; L130-V133 WeakPolarHBondContact O-CG2 3.38Å; L130-V133 PolarHBondContact O-N 3.31Å; E131-V133 PolarHBondContact O-N 3.12Å; V133-A135 PolarHBondContact O-N 2.9Å; V133-S136 WeakPolarHBondContact O-CA 3.33Å; V133-S136 WeakPolarHBondContact O-CB 3.24Å; V133-S136 PolarHBondContact O-N 3.38Å; V133-L137 HydrophobicContact CG2-CD1 4.08Å; V133-L137 PolarHBondContact O-N 2.84Å; V133-L137 VanDerWaalsContact O-N 3.1Å; V133-L181 HydrophobicContact CG1-CD2 4.3Å; V133-F184 HydrophobicContact CB-CD1 4.2Å; V133-F184 HydrophobicContact CB-CD2 3.74Å; V133-F184 HydrophobicContact CB-CE1 4.23Å; V133-F184 HydrophobicContact CB-CE2 3.77Å; V133-F184 HydrophobicContact CB-CG 3.95Å; V133-F184 HydrophobicContact CB-CZ 4.02Å; V133-F184 HydrophobicContact CG1-CB 4.1Å; V133-F184 HydrophobicContact CG1-CD1 4.43Å; V133-F184 HydrophobicContact CG1-CD2 3.32Å; V133-F184 HydrophobicContact CG1-CE2 3.78Å; V133-F184 HydrophobicContact CG1-CG 3.69Å; V133-F184 HydrophobicContact CG1-CZ 4.49Å; V133-F184 HydrophobicContact CG2-CD2 4.31Å; V133-F184 HydrophobicContact CG2-CE2 3.89Å; V133-F184 HydrophobicContact CG2-CZ 4.12Å; V133-I186 HydrophobicContact CG1-CD1 4Å
134	R	82.5	Confident	75.5	Confident	136 Å²	136	70.2 Å²	70.2	51%	0.513	36%	0.361	S	S	.	.	H	α-helix	trans	-54.3	-40.7	-179.5	-168.7	171.1	-176.5	160.4	-2.4	111.9	L130 E131 S136 L137 T138 P159	L130-R134 PolarHBondContact O-N 3.45Å; E131-R134 VanDerWaalsContact O-CB 3.25Å; E131-R134 WeakPolarHBondContact O-CB 3.41Å; E131-R134 PolarHBondContact O-N 3.48Å; E131-R134 IonicContact OE1-NH1 2.76Å; E131-R134 VanDerWaalsContact OE2-CD 3.31Å; E131-R134 WeakPolarHBondContact OE2-CD 3.37Å; E131-R134 IonicContact OE2-CZ 2.65Å; E131-R134 IonicContact OE2-NH1 3.68Å; E131-R134 PolarHBondContact OE2-NH1 3.48Å; R134-S136 VanDerWaalsContact C-N 3.28Å; R134-S136 PolarHBondContact O-N 3.43Å; R134-L137 PolarHBondContact O-N 3.42Å; R134-T138 HydrophobicContact CG-CG2 4.35Å; R134-T138 WeakPolarHBondContact O-CB 3.44Å; R134-T138 WeakPolarHBondContact O-CG2 3.39Å; R134-T138 PolarHBondContact O-N 2.89Å; R134-T138 VanDerWaalsContact O-N 3.12Å; R134-T138 PolarHBondContact O-OG1 3.31Å; R134-P159 HydrophobicContact CG-CB 4.32Å
135	A	68.3	Low	73.8	Confident	12 Å²	12	74.4 Å²	74.4	10%	0.099	38%	0.377	C	S	.	.	H	α-helix	trans	-63.3	-29.6	175.3	0	0	0	0	0	114.7	V133 P159 L160 A161	V133-A135 PolarHBondContact O-N 2.9Å; A135-P159 HydrophobicContact CB-CB 3.9Å; A135-P159 HydrophobicContact CB-CG 4.31Å; A135-P159 WeakPolarHBondContact CB-O 3.3Å; A135-L160 WeakPolarHBondContact CB-O 3.27Å; A135-A161 HydrophobicContact CB-CB 4.17Å
136	S	70.2	Confident	72.3	Confident	58 Å²	58	78.8 Å²	78.8	41%	0.406	40%	0.404	S	S	.	.	H	α-helix	trans	-82.2	-24.1	176.9	-61.2	0	0	0	0	112.5	V133 R134	V133-S136 WeakPolarHBondContact O-CA 3.33Å; V133-S136 WeakPolarHBondContact O-CB 3.24Å; V133-S136 PolarHBondContact O-N 3.38Å; R134-S136 VanDerWaalsContact C-N 3.28Å; R134-S136 PolarHBondContact O-N 3.43Å
137	L	72.7	Confident	71	Confident	110 Å²	110	78.3 Å²	78.3	58%	0.576	41%	0.405	S	S	*	.	H	α-helix	trans	-85.6	-24.4	180	-69.8	171.9	0	0	0	113.8	V133 R134 F184	V133-L137 HydrophobicContact CG2-CD1 4.08Å; V133-L137 PolarHBondContact O-N 2.84Å; V133-L137 VanDerWaalsContact O-N 3.1Å; R134-L137 PolarHBondContact O-N 3.42Å; L137-F184 HydrophobicContact CD1-CZ 4.49Å; L137-F184 HydrophobicContact CD2-CE1 3.74Å; L137-F184 HydrophobicContact CD2-CZ 3.77Å; L137-F184 HydrophobicContact CG-CE1 4.02Å; L137-F184 HydrophobicContact CG-CZ 4.11Å
138	T	66.4	Low	70.1	Confident	62 Å²	62	80 Å²	80	38%	0.38	43%	0.426	S	S	.	.			trans	-105.2	14	-171.7	48.9	0	0	0	0	113	R134 V140 P159	R134-T138 HydrophobicContact CG-CG2 4.35Å; R134-T138 WeakPolarHBondContact O-CB 3.44Å; R134-T138 WeakPolarHBondContact O-CG2 3.39Å; R134-T138 PolarHBondContact O-N 2.89Å; R134-T138 VanDerWaalsContact O-N 3.12Å; R134-T138 PolarHBondContact O-OG1 3.31Å; T138-V140 PolarHBondContact O-N 2.81Å; T138-P159 HydrophobicContact CG2-CG 4.36Å; T138-P159 WeakPolarHBondContact OG1-CG 3.17Å
139	K	57.3	Low	69.3	Low	177 Å²	177	85.5 Å²	85.5	77%	0.77	46%	0.456	S	S	*	.			trans	-63.7	77.8	163.9	-82.9	-173.5	175.6	179.3	0	109.1
140	V	50.8	Low	68.2	Low	81 Å²	81	88.1 Å²	88.1	49%	0.491	48%	0.483	S	S	.	.			trans	-81.4	135.3	162.2	-173	0	0	0	0	105.7	T138 D142 Y145	T138-V140 PolarHBondContact O-N 2.81Å; V140-D142 PolarHBondContact O-N 3.32Å; V140-Y145 HydrophobicContact CG1-CE2 4.23Å
141	D	50.3	Low	67.2	Low	122 Å²	122	86.3 Å²	86.3	65%	0.652	48%	0.477	S	S	*	.			trans	-58.3	120	-179	-128	-13.4	0	0	0	109.1	S143 E144	D141-S143 PolarHBondContact O-N 3.2Å; D141-E144 PolarHBondContact O-N 3.16Å
142	D	51.8	Low	65.9	Low	140 Å²	140	92.7 Å²	92.7	75%	0.749	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-12.3	178.9	-76.2	-29.9	0	0	0	112.7	V140	V140-D142 PolarHBondContact O-N 3.32Å
143	S	54.9	Low	64.4	Low	85 Å²	85	94.5 Å²	94.5	59%	0.594	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-7.1	179.9	51.7	0	0	0	0	115.7	D141	D141-S143 PolarHBondContact O-N 3.2Å
144	E	53.9	Low	62.9	Low	138 Å²	138	101.7 Å²	101.7	65%	0.645	55%	0.552	S	S	*	*	S	Bend	trans	-91.3	-10.8	-171.6	-117.4	179.4	-179.8	0	0	115.7	D141	D141-E144 PolarHBondContact O-N 3.16Å
145	Y	55.9	Low	61.5	Low	129 Å²	129	100.3 Å²	100.3	51%	0.506	55%	0.552	S	S	.	*			trans	-130.2	87.6	-176.2	-57.4	-73.8	0	0	0	112.5	V140 A153	V140-Y145 HydrophobicContact CG1-CE2 4.23Å; Y145-A153 PolarHBondContact O-N 3.28Å
146	T	61.2	Low	60.6	Low	91 Å²	91	107.2 Å²	107.2	56%	0.558	59%	0.587	S	S	*	*	B	Isolated β-bridge	trans	-92.1	125.6	165.4	-25.4	0	0	0	0	109
147	C	67	Low	59.8	Low	49 Å²	49	111.8 Å²	111.8	33%	0.331	61%	0.607	S	S	.	*			trans	-64	155	171.5	-71.5	0	0	0	0	110	D149 G150 S151	C147-D149 WeakPolarHBondContact CB-OD1 3.37Å; C147-D149 PolarHBondContact O-N 3.44Å; C147-G150 PolarHBondContact O-N 3.12Å; C147-S151 WeakPolarHBondContact CB-O 3.24Å; C147-S151 WeakPolarHBondContact CB-OG 3.19Å; C147-S151 PolarHBondContact N-O 3.07Å
148	P	70.2	Confident	59.1	Low	148 Å²	148	111.9 Å²	111.9	96%	0.961	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.2	-15.4	-179.4	-23.6	32.9	0	0	0	115
149	D	74.9	Confident	58.9	Low	123 Å²	123	110.9 Å²	110.9	66%	0.658	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.2	2.2	177.4	66.3	-9.9	0	0	0	113.7	C147 S151	C147-D149 WeakPolarHBondContact CB-OD1 3.37Å; C147-D149 PolarHBondContact O-N 3.44Å; D149-S151 VanDerWaalsContact C-N 3.29Å; D149-S151 VanDerWaalsContact CG-OG 3.25Å; D149-S151 WeakPolarHBondContact OD1-CB 3.36Å; D149-S151 PolarHBondContact OD1-N 3.1Å; D149-S151 PolarHBondContact OD1-OG 3.34Å; D149-S151 PolarHBondContact OD2-OG 3.04Å
150	G	68.2	Low	59.4	Low	55 Å²	55	105.7 Å²	105.7	57%	0.567	59%	0.586	S	S	*	*	S	Bend	trans	79.7	6.7	-177.9	0	0	0	0	0	114.4	C147	C147-G150 PolarHBondContact O-N 3.12Å
151	S	70.1	Confident	60.8	Low	48 Å²	48	104 Å²	104	34%	0.336	58%	0.581	S	S	.	*	P	Polyproline II helix	trans	-82.6	151.7	171.7	69.8	0	0	0	0	111.6	C147 D149	C147-S151 WeakPolarHBondContact CB-O 3.24Å; C147-S151 WeakPolarHBondContact CB-OG 3.19Å; C147-S151 PolarHBondContact N-O 3.07Å; D149-S151 VanDerWaalsContact C-N 3.29Å; D149-S151 VanDerWaalsContact CG-OG 3.25Å; D149-S151 WeakPolarHBondContact OD1-CB 3.36Å; D149-S151 PolarHBondContact OD1-N 3.1Å; D149-S151 PolarHBondContact OD1-OG 3.34Å; D149-S151 PolarHBondContact OD2-OG 3.04Å
152	Y	60.1	Low	62.7	Low	182 Å²	182	98.4 Å²	98.4	71%	0.714	55%	0.551	S	S	*	*	B	Isolated β-bridge	trans	-78.4	140.5	171.8	-61.3	-81.4	0	0	0	109.4	I154	Y152-I154 PolarHBondContact O-N 3.3Å
153	A	58.5	Low	64.6	Low	39 Å²	39	92.2 Å²	92.2	32%	0.322	52%	0.519	S	S	.	.	P	Polyproline II helix	trans	-59.7	123.2	172.8	0	0	0	0	0	110.2	Y145 H155	Y145-A153 PolarHBondContact O-N 3.28Å; A153-H155 PolarHBondContact O-N 3.11Å
154	I	55.3	Low	66.4	Low	151 Å²	151	88.2 Å²	88.2	77%	0.774	49%	0.49	S	S	*	.			trans	-81	105.3	172.1	-56.1	172.8	0	0	0	106.7	Y152 D156	Y152-I154 PolarHBondContact O-N 3.3Å; I154-D156 PolarHBondContact O-N 3.27Å
155	H	54.1	Low	68.5	Low	107 Å²	107	81.6 Å²	81.6	50%	0.495	46%	0.46	S	S	.	.			trans	-78.1	104.9	169.2	-76.6	-74.3	0	0	0	109	A153 D157 V158	A153-H155 PolarHBondContact O-N 3.11Å; H155-D157 PolarHBondContact O-N 3.16Å; H155-V158 HydrophobicContact CB-CG2 4.46Å
156	D	48.7	Very low	70.5	Confident	157 Å²	157	75.5 Å²	75.5	84%	0.84	44%	0.436	S	S	*	.	S	Bend	trans	-69.3	-22	174.1	-86.8	-24.1	0	0	0	112.5	I154	I154-D156 PolarHBondContact O-N 3.27Å
157	D	53.6	Low	72.1	Confident	154 Å²	154	71.1 Å²	71.1	82%	0.824	41%	0.409	S	S	*	.			trans	-104.5	73.2	176.5	-89.1	-27.1	0	0	0	110.7	H155 P159	H155-D157 PolarHBondContact O-N 3.16Å; D157-P159 WeakPolarHBondContact O-CD 3.38Å
158	V	58.2	Low	73.3	Confident	112 Å²	112	68.8 Å²	68.8	68%	0.679	39%	0.393	S	S	*	.			trans	-82.6	110	165.1	-177.2	0	0	0	0	108	H155 L160	H155-V158 HydrophobicContact CB-CG2 4.46Å; V158-L160 PolarHBondContact O-N 3.23Å
159	P	60.9	Low	74.4	Confident	40 Å²	40	62.1 Å²	62.1	26%	0.26	35%	0.35	S	S	.	.			trans	-61.3	139.3	-177.5	15.2	-24.1	0	0	0	112.1	R134 A135 T138 D157 A161	R134-P159 HydrophobicContact CG-CB 4.32Å; A135-P159 HydrophobicContact CB-CB 3.9Å; A135-P159 HydrophobicContact CB-CG 4.31Å; A135-P159 WeakPolarHBondContact CB-O 3.3Å; T138-P159 HydrophobicContact CG2-CG 4.36Å; T138-P159 WeakPolarHBondContact OG1-CG 3.17Å; D157-P159 WeakPolarHBondContact O-CD 3.38Å; P159-A161 PolarHBondContact O-N 2.68Å
160	L	68.4	Low	75.2	Confident	68 Å²	68	57.8 Å²	57.8	36%	0.356	33%	0.325	S	S	.	.			trans	-66.2	112.7	-171.9	-64	163.5	0	0	0	111.3	T54 M60 A135 V158 I162	T54-L160 HydrophobicContact CG2-CD1 3.77Å; M60-L160 HydrophobicContact CE-CD1 4.14Å; M60-L160 HydrophobicContact CE-CD2 4.14Å; M60-L160 HydrophobicContact CG-CB 4.46Å; M60-L160 HydrophobicContact CG-CD2 4.16Å; M60-L160 HydrophobicContact SD-CD2 4.39Å; A135-L160 WeakPolarHBondContact CB-O 3.27Å; V158-L160 PolarHBondContact O-N 3.23Å; L160-I162 PolarHBondContact O-N 3.25Å
161	A	81.3	Confident	76.4	Confident	45 Å²	45	55.4 Å²	55.4	37%	0.372	30%	0.299	S	S	.	.			trans	-75.6	111.1	176.9	0	0	0	0	0	110.9	A135 P159 P438	A135-A161 HydrophobicContact CB-CB 4.17Å; P159-A161 PolarHBondContact O-N 2.68Å; A161-P438 HydrophobicContact CB-CB 4.21Å; A161-P438 HydrophobicContact CB-CG 3.8Å
162	I	89.8	Confident	77.4	Confident	6 Å²	6	54.4 Å²	54.4	3%	0.031	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	126.7	-179.1	-58	-58.1	0	0	0	111	M60 H114 F132 L160 G164 V165 I186	M60-I162 HydrophobicContact CB-CD1 3.91Å; H114-I162 HydrophobicContact CB-CD1 4.04Å; F132-I162 HydrophobicContact CB-CB 4.49Å; F132-I162 HydrophobicContact CB-CG1 3.97Å; F132-I162 HydrophobicContact CD1-CD1 4.24Å; F132-I162 HydrophobicContact CD1-CG1 3.88Å; F132-I162 HydrophobicContact CG-CG1 4.25Å; L160-I162 PolarHBondContact O-N 3.25Å; I162-G164 WeakPolarHBondContact CG2-O 3.42Å; I162-V165 HydrophobicContact CG2-CG2 4.03Å; I162-I186 HydrophobicContact CG2-CG2 4.49Å
163	S	90.8	Very high	79	Confident	10 Å²	10	45.9 Å²	45.9	7%	0.07	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	-28	178.9	-59.2	0	0	0	0	113	M60	M60-S163 PolarHBondContact O-N 3.15Å
164	G	94.1	Very high	80.8	Confident	0 Å²	0	44 Å²	44	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.3	163.5	179.3	0	0	0	0	0	110.7	G62 I162 P187	G62-G164 PolarHBondContact N-O 3.33Å; I162-G164 WeakPolarHBondContact CG2-O 3.42Å; G164-P187 CarbonylContact C-O 3.52Å; G164-P187 VanDerWaalsContact CA-O 3.26Å; G164-P187 WeakPolarHBondContact CA-O 2.98Å
165	V	96.9	Very high	82.7	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	133.4	-175.4	178.6	0	0	0	0	110.7	G62 L64 F132 I162 L181 I186 P187 Q188 I189	G62-V165 CarbonylContact O-C 3.23Å; G62-V165 WeakPolarHBondContact O-CA 3.49Å; L64-V165 HydrophobicContact CD1-CG1 4Å; L64-V165 HydrophobicContact CG-CG1 4.22Å; F132-V165 HydrophobicContact CD2-CG1 4.4Å; F132-V165 HydrophobicContact CD2-CG2 3.79Å; F132-V165 HydrophobicContact CE2-CG1 3.96Å; F132-V165 HydrophobicContact CE2-CG2 4.12Å; F132-V165 HydrophobicContact CG-CG2 4.33Å; I162-V165 HydrophobicContact CG2-CG2 4.03Å; V165-L181 HydrophobicContact CB-CD1 3.84Å; V165-L181 HydrophobicContact CG1-CD1 4.31Å; V165-L181 HydrophobicContact CG2-CD1 3.71Å; V165-L181 HydrophobicContact CG2-CD2 4.15Å; V165-I186 HydrophobicContact CG2-CG2 4.06Å; V165-P187 PolarHBondContact N-O 3.17Å; V165-Q188 CarbonylContact O-C 3.45Å; V165-Q188 VanDerWaalsContact O-CA 3.3Å; V165-Q188 WeakPolarHBondContact O-CA 3.37Å; V165-I189 PolarHBondContact O-N 3.26Å
166	I	98.1	Very high	84.6	Confident	0 Å²	0	35 Å²	35	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	124.6	171	-55.2	-59	0	0	0	109	I61 G62 G63 L64 M92 I189 Y191 A410 V411 M414	I61-I166 HydrophobicContact CG2-CG1 3.76Å; G62-I166 PolarHBondContact O-N 3.17Å; G63-I166 WeakPolarHBondContact CA-O 3.5Å; L64-I166 PolarHBondContact N-O 3.39Å; M92-I166 HydrophobicContact SD-CB 4.34Å; I166-I189 WeakPolarHBondContact CA-O 3.47Å; I166-I189 HydrophobicContact CD1-CB 4.02Å; I166-Y191 HydrophobicContact CG2-CD1 3.97Å; I166-Y191 HydrophobicContact CG2-CE1 4.48Å; I166-A410 HydrophobicContact CD1-CB 4.24Å; I166-A410 HydrophobicContact CG2-CB 4.05Å; I166-V411 HydrophobicContact CG1-CG2 4.37Å; I166-V411 HydrophobicContact CG2-CG2 4.41Å; I166-M414 HydrophobicContact CD1-CB 4.09Å; I166-M414 HydrophobicContact CD1-CE 4.13Å
167	G	95	Very high	86.9	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.157	C	C	.	.			trans	113.3	-170.3	-172.7	0	0	0	0	0	112.2	Q188 I189	G167-Q188 WeakPolarHBondContact O-CG 3.37Å; G167-Q188 PolarHBondContact O-NE2 2.75Å; G167-I189 PolarHBondContact N-O 2.96Å
168	G	92.7	Very high	88.9	Confident	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.12	C	C	.	.			cis	-78.6	179.3	-7.5	0	0	0	0	0	113.1	S174 S190 S193	G168-S174 PolarHBondContact N-OG 2.96Å; G168-S174 VanDerWaalsContact N-OG 3.13Å; G168-S174 PolarHBondContact O-OG 3.36Å; G168-S174 VanDerWaalsContact O-OG 3.12Å; G168-S190 PolarHBondContact O-OG 3.44Å; G168-S193 PolarHBondContact O-OG 3.27Å; G168-S193 VanDerWaalsContact O-OG 3.13Å
169	S	92.3	Very high	90.6	Very high	8 Å²	8	17.5 Å²	17.5	6%	0.056	10%	0.1	C	C	.	.	S	Bend	trans	-80.1	-57.3	-179.1	-177.6	0	0	0	0	112.6	R88 A192 S193	R88-S169 PolarHBondContact NH1-OG 3.41Å; S169-A192 CarbonylContact O-C 3.52Å; S169-A192 VanDerWaalsContact O-C 3.25Å; S169-S193 PolarHBondContact O-N 3.26Å; S169-S193 PolarHBondContact O-OG 3.49Å
170	Y	91.8	Very high	92.2	Very high	31 Å²	31	16.6 Å²	16.6	12%	0.122	9%	0.093	C	C	.	.	S	Bend	trans	-79.3	141.8	-177.6	-68.5	-86.9	0	0	0	110.9	P66 S120 D172 V173 S174 S193 R297 E299	P66-Y170 HydrophobicContact CB-CE2 4.18Å; S120-Y170 WeakPolarHBondContact OG-CE2 3.47Å; Y170-D172 VanDerWaalsContact C-N 3.33Å; Y170-D172 PolarHBondContact O-N 3Å; Y170-V173 WeakPolarHBondContact O-CB 3.39Å; Y170-V173 PolarHBondContact O-N 3.01Å; Y170-V173 VanDerWaalsContact O-N 3.15Å; Y170-S174 PolarHBondContact O-N 3.48Å; Y170-S193 PolarHBondContact O-OG 3.46Å; Y170-R297 HydrophobicContact CE1-CG 4.45Å; Y170-E299 PolarHBondContact OH-OE1 3.41Å
171	S	93.8	Very high	93.4	Very high	5 Å²	5	13.4 Å²	13.4	4%	0.035	8%	0.077	C	C	.	.	H	α-helix	trans	-57.6	-43.3	-178.7	-60.4	0	0	0	0	112.7	V173 S174 I175 T194 S195	S171-V173 VanDerWaalsContact C-N 3.29Å; S171-V173 PolarHBondContact O-N 3.26Å; S171-S174 PolarHBondContact O-N 2.92Å; S171-I175 WeakPolarHBondContact O-CG1 3.32Å; S171-I175 PolarHBondContact O-N 3.43Å; S171-T194 PolarHBondContact OG-N 2.98Å; S171-S195 PolarHBondContact OG-N 3.23Å
172	D	91.6	Very high	94	Very high	27 Å²	27	16 Å²	16	14%	0.144	8%	0.076	C	C	.	.	H	α-helix	trans	-59.4	-40.9	178.8	-47.4	-29.2	0	0	0	111.4	Y170 Q176 D241 R297	Y170-D172 VanDerWaalsContact C-N 3.33Å; Y170-D172 PolarHBondContact O-N 3Å; D172-Q176 PolarHBondContact O-N 3Å; D172-D241 WeakPolarHBondContact OD1-CA 3.44Å; D172-D241 VanDerWaalsContact OD1-CB 3.32Å; D172-D241 WeakPolarHBondContact OD1-CB 3.41Å; D172-D241 PolarHBondContact OD1-N 3.34Å; D172-R297 IonicContact OD2-NH1 3.64Å
173	V	93.4	Very high	94	Very high	3 Å²	3	21.4 Å²	21.4	2%	0.018	11%	0.105	C	C	.	.	H	α-helix	trans	-65.3	-51	176	171	0	0	0	0	110.4	T118 D122 A125 Y170 S171 I175 Q176 V177	T118-V173 HydrophobicContact CG2-CG1 4.14Å; D122-V173 HydrophobicContact CB-CG2 4.41Å; A125-V173 HydrophobicContact CB-CG1 3.47Å; A125-V173 VanDerWaalsContact CB-CG1 3.47Å; A125-V173 HydrophobicContact CB-CG2 4.43Å; Y170-V173 WeakPolarHBondContact O-CB 3.39Å; Y170-V173 PolarHBondContact O-N 3.01Å; Y170-V173 VanDerWaalsContact O-N 3.15Å; S171-V173 VanDerWaalsContact C-N 3.29Å; S171-V173 PolarHBondContact O-N 3.26Å; V173-I175 PolarHBondContact O-N 2.99Å; V173-Q176 PolarHBondContact O-N 3.37Å; V173-V177 HydrophobicContact CG1-CG2 4.21Å; V173-V177 VanDerWaalsContact O-CG2 3.3Å; V173-V177 WeakPolarHBondContact O-CG2 3.37Å; V173-V177 PolarHBondContact O-N 2.75Å
174	S	96.1	Very high	94	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-61.3	-33.9	-179.1	-71.9	0	0	0	0	112.7	G168 Y170 S171 A178 S193	G168-S174 PolarHBondContact N-OG 2.96Å; G168-S174 VanDerWaalsContact N-OG 3.13Å; G168-S174 PolarHBondContact O-OG 3.36Å; G168-S174 VanDerWaalsContact O-OG 3.12Å; Y170-S174 PolarHBondContact O-N 3.48Å; S171-S174 PolarHBondContact O-N 2.92Å; S174-A178 WeakPolarHBondContact O-CB 3.4Å; S174-A178 PolarHBondContact O-N 2.63Å; S174-S193 VanDerWaalsContact CB-OG 3.3Å; S174-S193 WeakPolarHBondContact CB-OG 3.47Å; S174-S193 PolarHBondContact OG-OG 3.29Å
175	I	95.1	Very high	93.9	Very high	6 Å²	6	27.4 Å²	27.4	3%	0.031	13%	0.131	C	C	.	.	H	α-helix	trans	-63	-48.3	175.4	-75.2	167.5	0	0	0	111.1	S171 V173 N179 K197 L198 Y204 D241	S171-I175 WeakPolarHBondContact O-CG1 3.32Å; S171-I175 PolarHBondContact O-N 3.43Å; V173-I175 PolarHBondContact O-N 2.99Å; I175-N179 VanDerWaalsContact O-CG 3.3Å; I175-N179 PolarHBondContact O-N 2.95Å; I175-N179 PolarHBondContact O-ND2 3.02Å; I175-N179 VanDerWaalsContact O-ND2 3.09Å; I175-K197 HydrophobicContact CD1-CB 4.49Å; I175-L198 HydrophobicContact CG1-CD1 4.37Å; I175-L198 HydrophobicContact CG1-CD2 3.65Å; I175-L198 HydrophobicContact CG1-CG 3.93Å; I175-Y204 HydrophobicContact CG2-CE1 4.27Å; I175-Y204 WeakPolarHBondContact CG2-OH 3.34Å; I175-D241 HydrophobicContact CD1-CB 3.58Å; I175-D241 VanDerWaalsContact CD1-OD2 3.25Å; I175-D241 WeakPolarHBondContact CD1-OD2 3.33Å
176	Q	94.8	Very high	93.8	Very high	64 Å²	64	28 Å²	28	30%	0.299	13%	0.134	S	C	.	.	H	α-helix	trans	-64.9	-44	179	-63.7	-53.2	-32.1	0	0	111.8	D122 L126 D172 V173 N179 L180	D122-Q176 HydrophobicContact CB-CG 3.94Å; L126-Q176 HydrophobicContact CB-CB 4.4Å; D172-Q176 PolarHBondContact O-N 3Å; V173-Q176 PolarHBondContact O-N 3.37Å; Q176-N179 PolarHBondContact O-N 3Å; Q176-L180 PolarHBondContact O-N 3.02Å
177	V	95.6	Very high	93.6	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-64.1	-43.9	178.8	175.2	0	0	0	0	111.3	L64 A125 S129 V173 N179 L180 L181	L64-V177 HydrophobicContact CD1-CB 4.37Å; L64-V177 HydrophobicContact CD1-CG1 3.71Å; L64-V177 HydrophobicContact CD1-CG2 3.89Å; A125-V177 HydrophobicContact CB-CG2 4.46Å; S129-V177 WeakPolarHBondContact OG-CG2 3.32Å; V173-V177 HydrophobicContact CG1-CG2 4.21Å; V173-V177 VanDerWaalsContact O-CG2 3.3Å; V173-V177 WeakPolarHBondContact O-CG2 3.37Å; V173-V177 PolarHBondContact O-N 2.75Å; V177-N179 VanDerWaalsContact C-N 3.28Å; V177-N179 PolarHBondContact O-N 3.23Å; V177-L180 WeakPolarHBondContact O-CB 3.49Å; V177-L180 PolarHBondContact O-N 2.89Å; V177-L180 VanDerWaalsContact O-N 3.08Å; V177-L181 HydrophobicContact CG1-CD1 3.6Å; V177-L181 HydrophobicContact CG1-CG 3.93Å; V177-L181 WeakPolarHBondContact O-CG 3.2Å; V177-L181 PolarHBondContact O-N 3.26Å
178	A	95.9	Very high	93.7	Very high	7 Å²	7	28.1 Å²	28.1	6%	0.058	14%	0.135	C	C	.	.	H	α-helix	trans	-61.7	-36.5	178.5	0	0	0	0	0	112.3	S174 L180 L181 R182 Y204 F207	S174-A178 WeakPolarHBondContact O-CB 3.4Å; S174-A178 PolarHBondContact O-N 2.63Å; A178-L180 VanDerWaalsContact C-N 3.28Å; A178-L180 PolarHBondContact O-N 3.17Å; A178-L181 PolarHBondContact O-N 2.81Å; A178-R182 WeakPolarHBondContact O-CB 3.5Å; A178-R182 WeakPolarHBondContact O-CG 3.43Å; A178-R182 PolarHBondContact O-N 3.4Å; A178-Y204 HydrophobicContact CB-CD1 3.89Å; A178-Y204 HydrophobicContact CB-CE1 4.46Å; A178-F207 HydrophobicContact CB-CD2 4.38Å
179	N	94.8	Very high	94	Very high	48 Å²	48	28.1 Å²	28.1	26%	0.257	14%	0.135	S	C	.	.	H	α-helix	trans	-64	-31.4	175.9	-72.6	-35.3	0	0	0	112.9	I175 Q176 V177 R182 Y204	I175-N179 VanDerWaalsContact O-CG 3.3Å; I175-N179 PolarHBondContact O-N 2.95Å; I175-N179 PolarHBondContact O-ND2 3.02Å; I175-N179 VanDerWaalsContact O-ND2 3.09Å; Q176-N179 PolarHBondContact O-N 3Å; V177-N179 VanDerWaalsContact C-N 3.28Å; V177-N179 PolarHBondContact O-N 3.23Å; N179-R182 WeakPolarHBondContact O-CG 3.13Å; N179-Y204 WeakPolarHBondContact OD1-CE1 3.47Å
180	L	94.3	Very high	94.3	Very high	21 Å²	21	27.8 Å²	27.8	11%	0.11	13%	0.132	C	C	.	.	H	α-helix	trans	-77.3	-54.4	173.1	176.1	64.7	0	0	0	111.1	L126 L130 Q176 V177 A178 R182 L183 F184	L126-L180 HydrophobicContact CD1-CB 3.83Å; L126-L180 HydrophobicContact CD1-CD2 4.02Å; L126-L180 HydrophobicContact CD1-CG 4.48Å; L130-L180 HydrophobicContact CD2-CD1 4.08Å; L130-L180 HydrophobicContact CD2-CD2 3.94Å; L130-L180 HydrophobicContact CG-CD2 4.39Å; Q176-L180 PolarHBondContact O-N 3.02Å; V177-L180 WeakPolarHBondContact O-CB 3.49Å; V177-L180 PolarHBondContact O-N 2.89Å; V177-L180 VanDerWaalsContact O-N 3.08Å; A178-L180 VanDerWaalsContact C-N 3.28Å; A178-L180 PolarHBondContact O-N 3.17Å; L180-R182 PolarHBondContact O-N 3.1Å; L180-L183 WeakPolarHBondContact O-CB 3.35Å; L180-L183 PolarHBondContact O-N 3.44Å; L180-F184 HydrophobicContact CD1-CE2 3.96Å
181	L	93.5	Very high	94.5	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.005	13%	0.126	C	C	.	.	H	α-helix	trans	-60.9	-31.8	-173	-67.1	-178.7	0	0	0	112.8	V133 V165 V177 A178 L183 F184 Q185 I186 Q188	V133-L181 HydrophobicContact CG1-CD2 4.3Å; V165-L181 HydrophobicContact CB-CD1 3.84Å; V165-L181 HydrophobicContact CG1-CD1 4.31Å; V165-L181 HydrophobicContact CG2-CD1 3.71Å; V165-L181 HydrophobicContact CG2-CD2 4.15Å; V177-L181 HydrophobicContact CG1-CD1 3.6Å; V177-L181 HydrophobicContact CG1-CG 3.93Å; V177-L181 WeakPolarHBondContact O-CG 3.2Å; V177-L181 PolarHBondContact O-N 3.26Å; A178-L181 PolarHBondContact O-N 2.81Å; L181-L183 PolarHBondContact O-N 3.12Å; L181-F184 CarbonylContact O-C 3.25Å; L181-F184 PolarHBondContact O-N 2.89Å; L181-F184 VanDerWaalsContact O-N 3.13Å; L181-Q185 PolarHBondContact O-N 2.74Å; L181-Q185 VanDerWaalsContact O-N 3.08Å; L181-I186 HydrophobicContact CB-CB 4.24Å; L181-I186 HydrophobicContact CD2-CB 4.11Å; L181-I186 HydrophobicContact CD2-CD1 4.25Å; L181-I186 HydrophobicContact CD2-CG2 4.22Å; L181-I186 PolarHBondContact O-N 3.29Å; L181-Q188 HydrophobicContact CD1-CB 3.99Å; L181-Q188 HydrophobicContact CD1-CG 4.29Å
182	R	92.9	Very high	94.5	Very high	98 Å²	98	26.6 Å²	26.6	37%	0.37	13%	0.129	S	C	.	.	G	3₁₀ helix	trans	-61.7	-30	176.6	72.5	175.5	-139.9	154.8	12	114	A178 N179 L180 F184 Q185 R203 Y206	A178-R182 WeakPolarHBondContact O-CB 3.5Å; A178-R182 WeakPolarHBondContact O-CG 3.43Å; A178-R182 PolarHBondContact O-N 3.4Å; N179-R182 WeakPolarHBondContact O-CG 3.13Å; L180-R182 PolarHBondContact O-N 3.1Å; R182-F184 PolarHBondContact O-N 3.5Å; R182-Q185 PolarHBondContact O-N 3.22Å; R182-R203 WeakPolarHBondContact CD-O 3.29Å; R182-R203 PolarHBondContact NH1-O 2.97Å; R182-Y206 HydrophobicContact CB-CD2 3.93Å; R182-Y206 HydrophobicContact CB-CE2 4.32Å
183	L	91.5	Very high	94.6	Very high	120 Å²	120	25.3 Å²	25.3	63%	0.628	12%	0.122	S	C	*	.	G	3₁₀ helix	trans	-66.8	-29.2	179.1	-59.9	176.3	0	0	0	111.5	L180 L181	L180-L183 WeakPolarHBondContact O-CB 3.35Å; L180-L183 PolarHBondContact O-N 3.44Å; L181-L183 PolarHBondContact O-N 3.12Å
184	F	90.4	Very high	94.7	Very high	61 Å²	61	25.3 Å²	25.3	27%	0.268	12%	0.122	S	C	.	.	G	3₁₀ helix	trans	-103.2	7.8	178.8	-59.7	-85.1	0	0	0	112.6	V133 L137 L180 L181 R182 I186	V133-F184 HydrophobicContact CB-CD1 4.2Å; V133-F184 HydrophobicContact CB-CD2 3.74Å; V133-F184 HydrophobicContact CB-CE1 4.23Å; V133-F184 HydrophobicContact CB-CE2 3.77Å; V133-F184 HydrophobicContact CB-CG 3.95Å; V133-F184 HydrophobicContact CB-CZ 4.02Å; V133-F184 HydrophobicContact CG1-CB 4.1Å; V133-F184 HydrophobicContact CG1-CD1 4.43Å; V133-F184 HydrophobicContact CG1-CD2 3.32Å; V133-F184 HydrophobicContact CG1-CE2 3.78Å; V133-F184 HydrophobicContact CG1-CG 3.69Å; V133-F184 HydrophobicContact CG1-CZ 4.49Å; V133-F184 HydrophobicContact CG2-CD2 4.31Å; V133-F184 HydrophobicContact CG2-CE2 3.89Å; V133-F184 HydrophobicContact CG2-CZ 4.12Å; L137-F184 HydrophobicContact CD1-CZ 4.49Å; L137-F184 HydrophobicContact CD2-CE1 3.74Å; L137-F184 HydrophobicContact CD2-CZ 3.77Å; L137-F184 HydrophobicContact CG-CE1 4.02Å; L137-F184 HydrophobicContact CG-CZ 4.11Å; L180-F184 HydrophobicContact CD1-CE2 3.96Å; L181-F184 CarbonylContact O-C 3.25Å; L181-F184 PolarHBondContact O-N 2.89Å; L181-F184 VanDerWaalsContact O-N 3.13Å; R182-F184 PolarHBondContact O-N 3.5Å; F184-I186 HydrophobicContact CB-CD1 4.1Å; F184-I186 HydrophobicContact CB-CG1 4.05Å; F184-I186 PolarHBondContact O-N 3.39Å
185	Q	91.5	Very high	94.6	Very high	76 Å²	76	25.3 Å²	25.3	36%	0.355	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	32.2	-177.3	-53	-179.6	-6.9	0	0	113.5	L181 R182 Y206 G441	L181-Q185 PolarHBondContact O-N 2.74Å; L181-Q185 VanDerWaalsContact O-N 3.08Å; R182-Q185 PolarHBondContact O-N 3.22Å; Q185-Y206 HydrophobicContact CB-CE2 4.2Å; Q185-Y206 HydrophobicContact CG-CE2 4.19Å; Q185-G441 WeakPolarHBondContact O-CA 3.45Å
186	I	93.7	Very high	94.4	Very high	11 Å²	11	26.8 Å²	26.8	6%	0.056	14%	0.136	C	C	.	.			trans	-89.5	121	179.1	-59.5	176.9	0	0	0	108.7	V133 I162 V165 L181 F184	V133-I186 HydrophobicContact CG1-CD1 4Å; I162-I186 HydrophobicContact CG2-CG2 4.49Å; V165-I186 HydrophobicContact CG2-CG2 4.06Å; L181-I186 HydrophobicContact CB-CB 4.24Å; L181-I186 HydrophobicContact CD2-CB 4.11Å; L181-I186 HydrophobicContact CD2-CD1 4.25Å; L181-I186 HydrophobicContact CD2-CG2 4.22Å; L181-I186 PolarHBondContact O-N 3.29Å; F184-I186 HydrophobicContact CB-CD1 4.1Å; F184-I186 HydrophobicContact CB-CG1 4.05Å; F184-I186 PolarHBondContact O-N 3.39Å
187	P	95.9	Very high	94.3	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.006	14%	0.138	C	C	.	.			trans	-74.5	146.1	178.1	29.1	-32.4	0	0	0	112.6	G164 V165 Y206 F444 Y445 I449	G164-P187 CarbonylContact C-O 3.52Å; G164-P187 VanDerWaalsContact CA-O 3.26Å; G164-P187 WeakPolarHBondContact CA-O 2.98Å; V165-P187 PolarHBondContact N-O 3.17Å; P187-Y206 WeakPolarHBondContact CA-O 3.46Å; P187-F444 HydrophobicContact CG-CD1 3.58Å; P187-F444 HydrophobicContact CG-CE1 3.79Å; P187-Y445 HydrophobicContact CB-CD2 3.97Å; P187-I449 HydrophobicContact CB-CD1 3.49Å; P187-I449 VanDerWaalsContact CB-CD1 3.49Å; P187-I449 HydrophobicContact CG-CD1 3.62Å
188	Q	97.1	Very high	94.2	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.009	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	129.4	-178.8	-177.3	-174.7	-16.7	0	0	109.9	V165 G167 L181 Y206 F207 A208	V165-Q188 CarbonylContact O-C 3.45Å; V165-Q188 VanDerWaalsContact O-CA 3.3Å; V165-Q188 WeakPolarHBondContact O-CA 3.37Å; G167-Q188 WeakPolarHBondContact O-CG 3.37Å; G167-Q188 PolarHBondContact O-NE2 2.75Å; L181-Q188 HydrophobicContact CD1-CB 3.99Å; L181-Q188 HydrophobicContact CD1-CG 4.29Å; Q188-Y206 PolarHBondContact N-O 3.44Å; Q188-F207 HydrophobicContact CB-CD2 4.33Å; Q188-F207 HydrophobicContact CG-CD2 4.2Å; Q188-F207 HydrophobicContact CG-CE2 4.38Å; Q188-A208 PolarHBondContact O-N 3.18Å
189	I	98.2	Very high	94.1	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	105.9	171.6	-51.8	-179.1	0	0	0	108.9	V165 I166 G167 A208 T210 A410 A413 M414 I449 F469	V165-I189 PolarHBondContact O-N 3.26Å; I166-I189 WeakPolarHBondContact CA-O 3.47Å; I166-I189 HydrophobicContact CD1-CB 4.02Å; G167-I189 PolarHBondContact N-O 2.96Å; I189-A208 CarbonylContact C-O 3.59Å; I189-A208 VanDerWaalsContact CA-O 3.26Å; I189-A208 WeakPolarHBondContact CA-O 3.35Å; I189-A208 HydrophobicContact CG1-CB 4.43Å; I189-T210 HydrophobicContact CG2-CG2 4.17Å; I189-A410 HydrophobicContact CB-CB 4.48Å; I189-A410 HydrophobicContact CG2-CB 3.77Å; I189-A413 HydrophobicContact CD1-CB 4.22Å; I189-M414 HydrophobicContact CD1-CB 4.3Å; I189-M414 HydrophobicContact CD1-CE 3.82Å; I189-M414 HydrophobicContact CG1-CE 3.93Å; I189-I449 HydrophobicContact CD1-CG2 3.99Å; I189-I449 HydrophobicContact CG1-CG2 4.37Å; I189-F469 HydrophobicContact CG2-CZ 4.33Å
190	S	97.8	Very high	94.1	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	143.6	175.2	-179.6	0	0	0	0	111.7	G168 A192 S193 A208 R209 T210	G168-S190 PolarHBondContact O-OG 3.44Å; S190-A192 PolarHBondContact OG-N 2.94Å; S190-S193 VanDerWaalsContact OG-CB 3.25Å; S190-S193 WeakPolarHBondContact OG-CB 3.45Å; S190-S193 PolarHBondContact OG-N 3Å; S190-S193 PolarHBondContact OG-OG 3.23Å; S190-A208 PolarHBondContact N-O 3.05Å; S190-R209 CarbonylContact O-C 3.55Å; S190-R209 WeakPolarHBondContact O-CA 3.39Å; S190-R209 VanDerWaalsContact O-CB 3.26Å; S190-R209 WeakPolarHBondContact O-CB 3.22Å; S190-T210 PolarHBondContact O-N 2.88Å
191	Y	95.8	Very high	94.1	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.153	C	C	.	.	S	Bend	trans	-103.4	-3.2	177.5	58.3	-100.5	0	0	0	113.5	L64 F65 I166 V211 F406 V407	L64-Y191 PolarHBondContact O-OH 3.04Å; F65-Y191 HydrophobicContact CD1-CE1 4.01Å; F65-Y191 AromaticContact CD1-CZ 3.74Å; F65-Y191 WeakPolarHBondContact CD1-OH 3.44Å; F65-Y191 HydrophobicContact CE1-CD1 4.45Å; F65-Y191 AromaticContact CE1-CE1 3.6Å; F65-Y191 HydrophobicContact CE1-CE1 3.6Å; F65-Y191 AromaticContact CE1-CZ 3.74Å; F65-Y191 HydrophobicContact CZ-CE1 4.23Å; I166-Y191 HydrophobicContact CG2-CD1 3.97Å; I166-Y191 HydrophobicContact CG2-CE1 4.48Å; Y191-V211 WeakPolarHBondContact O-CG1 3.2Å; Y191-F406 WeakPolarHBondContact O-CB 3.05Å; Y191-V407 HydrophobicContact CD1-CG2 4.09Å; Y191-V407 HydrophobicContact CD2-CG2 3.52Å; Y191-V407 HydrophobicContact CE1-CG2 4.5Å; Y191-V407 HydrophobicContact CE2-CG2 4.01Å; Y191-V407 HydrophobicContact CG-CB 4.4Å; Y191-V407 HydrophobicContact CG-CG2 3.58Å
192	A	94.3	Very high	94	Very high	11 Å²	11	36.2 Å²	36.2	9%	0.091	19%	0.187	C	C	.	.	S	Bend	trans	-151.3	-6.1	-175	0	0	0	0	0	115.7	S169 S190 T194 K403	S169-A192 CarbonylContact O-C 3.52Å; S169-A192 VanDerWaalsContact O-C 3.25Å; S190-A192 PolarHBondContact OG-N 2.94Å; A192-T194 PolarHBondContact O-N 3.29Å; A192-K403 HydrophobicContact CB-CD 3.89Å
193	S	94.8	Very high	94	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.19	C	C	.	.			trans	-84	106.6	179.3	-61.7	0	0	0	0	111.8	G168 S169 Y170 S174 S190 R209	G168-S193 PolarHBondContact O-OG 3.27Å; G168-S193 VanDerWaalsContact O-OG 3.13Å; S169-S193 PolarHBondContact O-N 3.26Å; S169-S193 PolarHBondContact O-OG 3.49Å; Y170-S193 PolarHBondContact O-OG 3.46Å; S174-S193 VanDerWaalsContact CB-OG 3.3Å; S174-S193 WeakPolarHBondContact CB-OG 3.47Å; S174-S193 PolarHBondContact OG-OG 3.29Å; S190-S193 VanDerWaalsContact OG-CB 3.25Å; S190-S193 WeakPolarHBondContact OG-CB 3.45Å; S190-S193 PolarHBondContact OG-N 3Å; S190-S193 PolarHBondContact OG-OG 3.23Å; S193-R209 WeakPolarHBondContact O-CD 3.49Å; S193-R209 PolarHBondContact O-NH1 3.44Å
194	T	94.6	Very high	94.2	Very high	3 Å²	3	31.5 Å²	31.5	2%	0.018	16%	0.161	C	C	.	.			trans	-103.9	-2.8	-169.8	56.5	0	0	0	0	114.2	S171 A192 A196 R209 V211 P213 D214 Y242	S171-T194 PolarHBondContact OG-N 2.98Å; A192-T194 PolarHBondContact O-N 3.29Å; T194-A196 PolarHBondContact O-N 3.19Å; T194-R209 VanDerWaalsContact CA-NH1 3.32Å; T194-R209 PolarHBondContact O-NH1 2.95Å; T194-R209 VanDerWaalsContact O-NH1 3.08Å; T194-V211 HydrophobicContact CG2-CB 4.13Å; T194-V211 HydrophobicContact CG2-CG2 3.68Å; T194-P213 CarbonylContact O-C 3.49Å; T194-P213 VanDerWaalsContact O-CA 3.31Å; T194-P213 WeakPolarHBondContact O-CA 3.5Å; T194-D214 VanDerWaalsContact C-CG 3.49Å; T194-D214 WeakPolarHBondContact CB-OD1 3.45Å; T194-D214 PolarHBondContact O-N 2.76Å; T194-D214 VanDerWaalsContact OG1-CG 3.31Å; T194-D214 PolarHBondContact OG1-OD1 2.66Å; T194-D214 PolarHBondContact OG1-OD2 2.95Å; T194-Y242 WeakPolarHBondContact OG1-CE2 3.37Å
195	S	93.9	Very high	94.3	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.162	C	C	.	.			trans	-55.1	136.3	179.3	177.2	0	0	0	0	112.2	S171 K197 L198 R209 D214 D241 T245	S171-S195 PolarHBondContact OG-N 3.23Å; S195-K197 PolarHBondContact O-N 3.44Å; S195-K197 PolarHBondContact OG-N 3.44Å; S195-L198 PolarHBondContact O-N 3.42Å; S195-R209 PolarHBondContact O-NH1 3.48Å; S195-D214 VanDerWaalsContact CA-OD2 3.29Å; S195-D214 WeakPolarHBondContact CA-OD2 3.43Å; S195-D214 PolarHBondContact N-OD2 2.94Å; S195-D241 PolarHBondContact OG-O 3.49Å; S195-T245 PolarHBondContact OG-OG1 3.06Å
196	A	91.8	Very high	94.5	Very high	38 Å²	38	28.6 Å²	28.6	31%	0.314	15%	0.149	S	C	.	.	G	3₁₀ helix	trans	-66.2	-20.9	178.6	0	0	0	0	0	113.2	T194 L198 S199	T194-A196 PolarHBondContact O-N 3.19Å; A196-L198 PolarHBondContact O-N 3.45Å; A196-S199 WeakPolarHBondContact O-CB 3.48Å; A196-S199 PolarHBondContact O-N 2.96Å
197	K	91.9	Very high	94.7	Very high	82 Å²	82	28.1 Å²	28.1	36%	0.357	15%	0.147	S	C	.	.	G	3₁₀ helix	trans	-59.6	-32.9	177.4	-80.8	176.1	179	172.8	0	112.7	I175 S195 S199 D200 Y204 D241 T245	I175-K197 HydrophobicContact CD1-CB 4.49Å; S195-K197 PolarHBondContact O-N 3.44Å; S195-K197 PolarHBondContact OG-N 3.44Å; K197-S199 PolarHBondContact O-N 3.3Å; K197-D200 PolarHBondContact O-N 3.29Å; K197-Y204 VanDerWaalsContact O-CD2 3.27Å; K197-Y204 WeakPolarHBondContact O-CD2 3.4Å; K197-Y204 WeakPolarHBondContact O-CE2 3.12Å; K197-D241 HydrophobicContact CD-CB 4.45Å; K197-D241 WeakPolarHBondContact CD-OD1 3.36Å; K197-D241 WeakPolarHBondContact CE-OD1 3.31Å; K197-D241 IonicContact NZ-OD1 2.93Å; K197-D241 PolarHBondContact NZ-OD1 3.05Å; K197-T245 HydrophobicContact CD-CG2 3.67Å; K197-T245 HydrophobicContact CG-CG2 3.85Å
198	L	94.4	Very high	94.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-71	-12.3	-176.5	-72.6	162.4	0	0	0	113.8	I175 S195 A196 D200 Y204 F207	I175-L198 HydrophobicContact CG1-CD1 4.37Å; I175-L198 HydrophobicContact CG1-CD2 3.65Å; I175-L198 HydrophobicContact CG1-CG 3.93Å; S195-L198 PolarHBondContact O-N 3.42Å; A196-L198 PolarHBondContact O-N 3.45Å; L198-D200 VanDerWaalsContact C-N 3.31Å; L198-Y204 HydrophobicContact CD2-CD1 4.32Å; L198-Y204 HydrophobicContact CD2-CD2 4.38Å; L198-Y204 HydrophobicContact CD2-CE1 4.47Å; L198-Y204 HydrophobicContact CD2-CG 4.26Å; L198-F207 HydrophobicContact CB-CD1 3.83Å; L198-F207 HydrophobicContact CB-CE1 3.58Å; L198-F207 HydrophobicContact CB-CZ 4.16Å; L198-F207 HydrophobicContact CD1-CE1 4Å; L198-F207 HydrophobicContact CD1-CE2 4.28Å; L198-F207 HydrophobicContact CD1-CZ 3.69Å; L198-F207 HydrophobicContact CD2-CD1 4.23Å; L198-F207 HydrophobicContact CD2-CD2 4.1Å; L198-F207 HydrophobicContact CD2-CE1 4.18Å; L198-F207 HydrophobicContact CD2-CE2 4.04Å; L198-F207 HydrophobicContact CD2-CG 4.19Å; L198-F207 HydrophobicContact CD2-CZ 4.08Å; L198-F207 HydrophobicContact CG-CD1 4.5Å; L198-F207 HydrophobicContact CG-CE1 4.13Å; L198-F207 HydrophobicContact CG-CZ 4.19Å
199	S	94.1	Very high	94.7	Very high	23 Å²	23	28 Å²	28	16%	0.161	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-77.2	-15.7	174.9	-54.4	0	0	0	0	112.9	A196 K197 K201 R209 D474	A196-S199 WeakPolarHBondContact O-CB 3.48Å; A196-S199 PolarHBondContact O-N 2.96Å; K197-S199 PolarHBondContact O-N 3.3Å; S199-K201 PolarHBondContact O-N 2.74Å; S199-K201 VanDerWaalsContact O-N 3.08Å; S199-R209 PolarHBondContact OG-NH2 3.41Å; S199-D474 WeakPolarHBondContact CB-OD2 3.25Å; S199-D474 PolarHBondContact OG-OD2 3.03Å
200	D	94.7	Very high	94.6	Very high	64 Å²	64	28 Å²	28	34%	0.342	15%	0.147	S	C	.	.			trans	-72.8	98.8	179.1	-179.8	3.5	0	0	0	112	K197 L198 T202 R203 Y204	K197-D200 PolarHBondContact O-N 3.29Å; L198-D200 VanDerWaalsContact C-N 3.31Å; D200-T202 VanDerWaalsContact CG-OG1 3.29Å; D200-T202 PolarHBondContact O-N 2.95Å; D200-T202 WeakPolarHBondContact OD1-CB 3.13Å; D200-T202 PolarHBondContact OD1-N 3.23Å; D200-T202 PolarHBondContact OD1-OG1 3.45Å; D200-T202 PolarHBondContact OD2-OG1 3.26Å; D200-R203 PolarHBondContact O-N 2.98Å; D200-R203 VanDerWaalsContact O-N 3.12Å; D200-R203 WeakPolarHBondContact OD2-CD 3.34Å; D200-R203 WeakPolarHBondContact OD2-CG 3.43Å; D200-Y204 PolarHBondContact O-N 2.91Å
201	K	92.9	Very high	94.5	Very high	51 Å²	51	28 Å²	28	22%	0.222	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-7.6	179.4	-60.7	-51.1	178.2	-148.4	0	115.3	S199 Y204 F207 Y445 F472	S199-K201 PolarHBondContact O-N 2.74Å; S199-K201 VanDerWaalsContact O-N 3.08Å; K201-Y204 WeakPolarHBondContact CD-O 3.5Å; K201-F207 PolarHBondContact NZ-O 3.47Å; K201-Y445 WeakPolarHBondContact CE-OH 2.78Å; K201-Y445 PolarHBondContact NZ-OH 2.92Å; K201-F472 WeakPolarHBondContact CE-O 3.39Å; K201-F472 HydrophobicContact CG-CD1 4.38Å; K201-F472 PolarHBondContact NZ-O 3.4Å
202	T	92.7	Very high	94.4	Very high	118 Å²	118	28.2 Å²	28.2	72%	0.724	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73	-24.5	169.1	72.6	0	0	0	0	111.2	D200	D200-T202 VanDerWaalsContact CG-OG1 3.29Å; D200-T202 PolarHBondContact O-N 2.95Å; D200-T202 WeakPolarHBondContact OD1-CB 3.13Å; D200-T202 PolarHBondContact OD1-N 3.23Å; D200-T202 PolarHBondContact OD1-OG1 3.45Å; D200-T202 PolarHBondContact OD2-OG1 3.26Å
203	R	92.4	Very high	94.5	Very high	114 Å²	114	28.1 Å²	28.1	43%	0.43	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	-42.5	-178.7	-65.3	-176.6	61.6	-170.5	-3.7	113.2	R182 D200	R182-R203 WeakPolarHBondContact CD-O 3.29Å; R182-R203 PolarHBondContact NH1-O 2.97Å; D200-R203 PolarHBondContact O-N 2.98Å; D200-R203 VanDerWaalsContact O-N 3.12Å; D200-R203 WeakPolarHBondContact OD2-CD 3.34Å; D200-R203 WeakPolarHBondContact OD2-CG 3.43Å
204	Y	94.8	Very high	94.4	Very high	5 Å²	5	28.2 Å²	28.2	2%	0.02	15%	0.146	C	C	.	.			trans	-117.7	64.1	-174	-49.7	-68.9	0	0	0	110.8	I175 A178 N179 K197 L198 D200 K201 Y206 F207	I175-Y204 HydrophobicContact CG2-CE1 4.27Å; I175-Y204 WeakPolarHBondContact CG2-OH 3.34Å; A178-Y204 HydrophobicContact CB-CD1 3.89Å; A178-Y204 HydrophobicContact CB-CE1 4.46Å; N179-Y204 WeakPolarHBondContact OD1-CE1 3.47Å; K197-Y204 VanDerWaalsContact O-CD2 3.27Å; K197-Y204 WeakPolarHBondContact O-CD2 3.4Å; K197-Y204 WeakPolarHBondContact O-CE2 3.12Å; L198-Y204 HydrophobicContact CD2-CD1 4.32Å; L198-Y204 HydrophobicContact CD2-CD2 4.38Å; L198-Y204 HydrophobicContact CD2-CE1 4.47Å; L198-Y204 HydrophobicContact CD2-CG 4.26Å; D200-Y204 PolarHBondContact O-N 2.91Å; K201-Y204 WeakPolarHBondContact CD-O 3.5Å; Y204-Y206 VanDerWaalsContact C-N 3.32Å; Y204-Y206 PolarHBondContact O-N 3.48Å; Y204-F207 PolarHBondContact O-N 3.21Å
205	D	92.8	Very high	94.2	Very high	56 Å²	56	31.8 Å²	31.8	30%	0.299	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-20.6	-172.7	57.4	-20	0	0	0	115	Y445	D205-Y445 VanDerWaalsContact O-CD1 3.31Å; D205-Y445 WeakPolarHBondContact O-CD1 3.48Å; D205-Y445 WeakPolarHBondContact O-CE1 3.03Å
206	Y	95.6	Very high	94.2	Very high	21 Å²	21	35.7 Å²	35.7	8%	0.082	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.5	17.8	177.6	-50.5	-65	0	0	0	114.7	R182 Q185 P187 Q188 Y204 R442 Y445	R182-Y206 HydrophobicContact CB-CD2 3.93Å; R182-Y206 HydrophobicContact CB-CE2 4.32Å; Q185-Y206 HydrophobicContact CB-CE2 4.2Å; Q185-Y206 HydrophobicContact CG-CE2 4.19Å; P187-Y206 WeakPolarHBondContact CA-O 3.46Å; Q188-Y206 PolarHBondContact N-O 3.44Å; Y204-Y206 VanDerWaalsContact C-N 3.32Å; Y204-Y206 PolarHBondContact O-N 3.48Å; Y206-R442 VanDerWaalsContact CE1-CA 3.46Å; Y206-R442 HydrophobicContact CE1-CB 3.71Å; Y206-R442 HydrophobicContact CE1-CG 3.98Å; Y206-Y445 HydrophobicContact CD1-CD1 4.37Å; Y206-Y445 HydrophobicContact CD1-CG 4.16Å; Y206-Y445 WeakPolarHBondContact O-CE2 3.22Å
207	F	97.5	Very high	94.4	Very high	1 Å²	1	34 Å²	34	0%	0.004	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	129.3	-179.5	-177.5	-90.8	0	0	0	111.7	A178 Q188 L198 K201 Y204 R209 Y445	A178-F207 HydrophobicContact CB-CD2 4.38Å; Q188-F207 HydrophobicContact CB-CD2 4.33Å; Q188-F207 HydrophobicContact CG-CD2 4.2Å; Q188-F207 HydrophobicContact CG-CE2 4.38Å; L198-F207 HydrophobicContact CB-CD1 3.83Å; L198-F207 HydrophobicContact CB-CE1 3.58Å; L198-F207 HydrophobicContact CB-CZ 4.16Å; L198-F207 HydrophobicContact CD1-CE1 4Å; L198-F207 HydrophobicContact CD1-CE2 4.28Å; L198-F207 HydrophobicContact CD1-CZ 3.69Å; L198-F207 HydrophobicContact CD2-CD1 4.23Å; L198-F207 HydrophobicContact CD2-CD2 4.1Å; L198-F207 HydrophobicContact CD2-CE1 4.18Å; L198-F207 HydrophobicContact CD2-CE2 4.04Å; L198-F207 HydrophobicContact CD2-CG 4.19Å; L198-F207 HydrophobicContact CD2-CZ 4.08Å; L198-F207 HydrophobicContact CG-CD1 4.5Å; L198-F207 HydrophobicContact CG-CE1 4.13Å; L198-F207 HydrophobicContact CG-CZ 4.19Å; K201-F207 PolarHBondContact NZ-O 3.47Å; Y204-F207 PolarHBondContact O-N 3.21Å; F207-R209 HydrophobicContact CE1-CB 4.04Å; F207-R209 HydrophobicContact CE1-CG 4.01Å; F207-R209 HydrophobicContact CZ-CB 4.23Å; F207-Y445 PolarHBondContact O-OH 3.26Å
208	A	97.4	Very high	94.5	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	167.1	168.1	0	0	0	0	0	109.9	Q188 I189 S190 Y445 I449 G473	Q188-A208 PolarHBondContact O-N 3.18Å; I189-A208 CarbonylContact C-O 3.59Å; I189-A208 VanDerWaalsContact CA-O 3.26Å; I189-A208 WeakPolarHBondContact CA-O 3.35Å; I189-A208 HydrophobicContact CG1-CB 4.43Å; S190-A208 PolarHBondContact N-O 3.05Å; A208-Y445 HydrophobicContact CB-CE2 3.94Å; A208-I449 HydrophobicContact CB-CG2 4.21Å; A208-G473 CarbonylContact C-O 3.5Å; A208-G473 VanDerWaalsContact CA-O 3.29Å; A208-G473 WeakPolarHBondContact CA-O 3.35Å
209	R	97	Very high	94.6	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	144.6	177.8	54.6	173	177.4	-155.9	-11.2	113.5	S190 S193 T194 S195 S199 F207 V211 F469 G473 D474 S475	S190-R209 CarbonylContact O-C 3.55Å; S190-R209 WeakPolarHBondContact O-CA 3.39Å; S190-R209 VanDerWaalsContact O-CB 3.26Å; S190-R209 WeakPolarHBondContact O-CB 3.22Å; S193-R209 WeakPolarHBondContact O-CD 3.49Å; S193-R209 PolarHBondContact O-NH1 3.44Å; T194-R209 VanDerWaalsContact CA-NH1 3.32Å; T194-R209 PolarHBondContact O-NH1 2.95Å; T194-R209 VanDerWaalsContact O-NH1 3.08Å; S195-R209 PolarHBondContact O-NH1 3.48Å; S199-R209 PolarHBondContact OG-NH2 3.41Å; F207-R209 HydrophobicContact CE1-CB 4.04Å; F207-R209 HydrophobicContact CE1-CG 4.01Å; F207-R209 HydrophobicContact CZ-CB 4.23Å; R209-V211 VanDerWaalsContact C-N 3.26Å; R209-V211 HydrophobicContact CB-CG2 4.3Å; R209-V211 WeakPolarHBondContact CD-O 3.23Å; R209-V211 VanDerWaalsContact CG-O 3.25Å; R209-V211 WeakPolarHBondContact CG-O 3.18Å; R209-V211 PolarHBondContact NE-O 3.44Å; R209-V211 PolarHBondContact O-N 3.01Å; R209-F469 WeakPolarHBondContact O-CD1 3.36Å; R209-F469 WeakPolarHBondContact O-CE1 3.34Å; R209-G473 PolarHBondContact N-O 2.82Å; R209-D474 IonicContact CZ-OD1 3.72Å; R209-D474 IonicContact NE-OD1 3.71Å; R209-D474 PolarHBondContact NE-OD1 3.01Å; R209-D474 VanDerWaalsContact NH2-CG 3.33Å; R209-D474 IonicContact NH2-OD1 2.74Å; R209-D474 PolarHBondContact NH2-OD1 2.62Å; R209-D474 IonicContact NH2-OD2 2.92Å; R209-D474 PolarHBondContact NH2-OD2 3.19Å; R209-S475 PolarHBondContact O-N 3.26Å
210	T	96.2	Very high	94.7	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.012	15%	0.151	C	C	.	.	S	Bend	trans	-83.4	-4.2	177.9	52.9	0	0	0	0	113.4	I189 S190 F406 N409 A410 F469 S475	I189-T210 HydrophobicContact CG2-CG2 4.17Å; S190-T210 PolarHBondContact O-N 2.88Å; T210-F406 VanDerWaalsContact O-CD1 3.29Å; T210-F406 WeakPolarHBondContact O-CD1 3.43Å; T210-F406 PolarHBondContact OG1-O 3.31Å; T210-N409 HydrophobicContact CG2-CB 4.08Å; T210-A410 HydrophobicContact CG2-CB 3.89Å; T210-F469 HydrophobicContact CG2-CE1 4.16Å; T210-F469 HydrophobicContact CG2-CZ 4.21Å; T210-S475 VanDerWaalsContact C-CB 3.45Å; T210-S475 VanDerWaalsContact O-CB 3.25Å; T210-S475 WeakPolarHBondContact O-CB 3.33Å; T210-S475 PolarHBondContact O-OG 3.04Å
211	V	95	Very high	94.8	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	13%	0.134	C	C	.	.	S	Bend	trans	-107.6	149	175	-62.4	0	0	0	0	111	Y191 T194 R209 L345 F406	Y191-V211 WeakPolarHBondContact O-CG1 3.2Å; T194-V211 HydrophobicContact CG2-CB 4.13Å; T194-V211 HydrophobicContact CG2-CG2 3.68Å; R209-V211 VanDerWaalsContact C-N 3.26Å; R209-V211 HydrophobicContact CB-CG2 4.3Å; R209-V211 WeakPolarHBondContact CD-O 3.23Å; R209-V211 VanDerWaalsContact CG-O 3.25Å; R209-V211 WeakPolarHBondContact CG-O 3.18Å; R209-V211 PolarHBondContact NE-O 3.44Å; R209-V211 PolarHBondContact O-N 3.01Å; V211-L345 HydrophobicContact CB-CD1 4.02Å; V211-L345 HydrophobicContact CG1-CD1 3.62Å; V211-F406 HydrophobicContact CG1-CB 3.96Å; V211-F406 HydrophobicContact CG1-CD1 3.76Å; V211-F406 HydrophobicContact CG1-CD2 3.9Å; V211-F406 HydrophobicContact CG1-CE1 4.22Å; V211-F406 HydrophobicContact CG1-CE2 4.39Å; V211-F406 HydrophobicContact CG1-CG 3.6Å
212	P	94.7	Very high	95	Very high	3 Å²	3	26.4 Å²	26.4	2%	0.019	12%	0.124	C	C	.	.			trans	-74.6	158.2	177.2	31.3	-37.9	0	0	0	113.6	Y216 L345 Y479	P212-Y216 HydrophobicContact CB-CD2 4.14Å; P212-L345 VanDerWaalsContact CD-CD2 3.46Å; P212-L345 HydrophobicContact CG-CD2 3.48Å; P212-L345 VanDerWaalsContact CG-CD2 3.48Å; P212-Y479 HydrophobicContact CG-CE1 4.39Å; P212-Y479 HydrophobicContact CG-CE2 4.46Å; P212-Y479 WeakPolarHBondContact CG-OH 3.49Å
213	P	94.6	Very high	95.1	Very high	10 Å²	10	22.3 Å²	22.3	7%	0.065	10%	0.097	C	C	.	.			trans	-64.5	150.4	170.6	11.4	-18.8	0	0	0	114.4	T194 F215 Y216 D474 Y479	T194-P213 CarbonylContact O-C 3.49Å; T194-P213 VanDerWaalsContact O-CA 3.31Å; T194-P213 WeakPolarHBondContact O-CA 3.5Å; P213-F215 PolarHBondContact O-N 3.3Å; P213-F215 VanDerWaalsContact O-N 3.08Å; P213-Y216 HydrophobicContact CG-CD2 3.74Å; P213-Y216 HydrophobicContact CG-CE2 3.7Å; P213-Y216 PolarHBondContact O-N 3.31Å; P213-Y216 VanDerWaalsContact O-N 3.13Å; P213-D474 HydrophobicContact CG-CB 4.47Å; P213-Y479 PolarHBondContact O-OH 2.99Å
214	D	92.5	Very high	95.3	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.005	8%	0.076	C	C	.	.	H	α-helix	trans	-59.8	-19.5	176.4	-66.1	-30.1	0	0	0	113.8	T194 S195 Y216 Q217 A218 Y242 F295	T194-D214 VanDerWaalsContact C-CG 3.49Å; T194-D214 WeakPolarHBondContact CB-OD1 3.45Å; T194-D214 PolarHBondContact O-N 2.76Å; T194-D214 VanDerWaalsContact OG1-CG 3.31Å; T194-D214 PolarHBondContact OG1-OD1 2.66Å; T194-D214 PolarHBondContact OG1-OD2 2.95Å; S195-D214 VanDerWaalsContact CA-OD2 3.29Å; S195-D214 WeakPolarHBondContact CA-OD2 3.43Å; S195-D214 PolarHBondContact N-OD2 2.94Å; D214-Y216 PolarHBondContact O-N 3.4Å; D214-Q217 WeakPolarHBondContact O-CB 3.4Å; D214-Q217 PolarHBondContact O-N 3.24Å; D214-Q217 PolarHBondContact OD1-OE1 3.36Å; D214-A218 WeakPolarHBondContact O-CB 3.09Å; D214-A218 PolarHBondContact O-N 3.02Å; D214-Y242 VanDerWaalsContact OD2-CD2 3.3Å; D214-Y242 WeakPolarHBondContact OD2-CD2 3.48Å; D214-F295 HydrophobicContact CB-CE1 4.42Å
215	F	92.1	Very high	95.4	Very high	79 Å²	79	16.7 Å²	16.7	35%	0.346	8%	0.075	S	C	.	.	H	α-helix	trans	-57	-39.1	173.8	176.7	-100.5	0	0	0	112	P213 Q217 K219 A249 E253	P213-F215 PolarHBondContact O-N 3.3Å; P213-F215 VanDerWaalsContact O-N 3.08Å; F215-Q217 VanDerWaalsContact C-N 3.35Å; F215-K219 WeakPolarHBondContact O-CB 3.36Å; F215-K219 PolarHBondContact O-N 3.45Å; F215-A249 HydrophobicContact CD2-CB 4.34Å; F215-E253 HydrophobicContact CE2-CG 4.27Å; F215-E253 VanDerWaalsContact CE2-OE1 3.28Å; F215-E253 WeakPolarHBondContact CE2-OE1 3.47Å; F215-E253 VanDerWaalsContact CZ-OE1 3.23Å; F215-E253 WeakPolarHBondContact CZ-OE1 3.26Å
216	Y	93.7	Very high	95.4	Very high	82 Å²	82	20.2 Å²	20.2	32%	0.322	8%	0.084	S	C	.	.	H	α-helix	trans	-70.2	-33.7	176.5	-65.4	-62.4	0	0	0	112.3	P212 P213 D214 K219 A220 W499	P212-Y216 HydrophobicContact CB-CD2 4.14Å; P213-Y216 HydrophobicContact CG-CD2 3.74Å; P213-Y216 HydrophobicContact CG-CE2 3.7Å; P213-Y216 PolarHBondContact O-N 3.31Å; P213-Y216 VanDerWaalsContact O-N 3.13Å; D214-Y216 PolarHBondContact O-N 3.4Å; Y216-K219 PolarHBondContact O-N 3.22Å; Y216-A220 WeakPolarHBondContact O-CB 3.46Å; Y216-A220 PolarHBondContact O-N 2.94Å; Y216-W499 AromaticContact CD1-CH2 3.87Å; Y216-W499 HydrophobicContact CD1-CH2 3.87Å; Y216-W499 HydrophobicContact CD1-CZ3 4.34Å; Y216-W499 HydrophobicContact CG-CH2 4.37Å; Y216-W499 HydrophobicContact CG-CZ3 4.48Å
217	Q	94.4	Very high	95.4	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.005	10%	0.102	C	C	.	.	H	α-helix	trans	-67.9	-46.2	174.9	-173.8	178.3	50.1	0	0	111.5	D214 F215 K219 A220 M221 F295 D321 Y479	D214-Q217 WeakPolarHBondContact O-CB 3.4Å; D214-Q217 PolarHBondContact O-N 3.24Å; D214-Q217 PolarHBondContact OD1-OE1 3.36Å; F215-Q217 VanDerWaalsContact C-N 3.35Å; Q217-K219 VanDerWaalsContact C-N 3.27Å; Q217-K219 PolarHBondContact O-N 2.99Å; Q217-A220 PolarHBondContact O-N 3.22Å; Q217-A220 VanDerWaalsContact O-N 3.14Å; Q217-M221 HydrophobicContact CG-SD 4.31Å; Q217-M221 VanDerWaalsContact O-CG 3.32Å; Q217-M221 WeakPolarHBondContact O-CG 3.01Å; Q217-M221 PolarHBondContact O-N 3.07Å; Q217-F295 HydrophobicContact CB-CZ 4.5Å; Q217-F295 HydrophobicContact CG-CE1 4.37Å; Q217-F295 HydrophobicContact CG-CZ 4.17Å; Q217-D321 PolarHBondContact NE2-OD1 3.35Å; Q217-Y479 HydrophobicContact CB-CE1 4.07Å; Q217-Y479 HydrophobicContact CB-CE2 4.49Å; Q217-Y479 HydrophobicContact CG-CE1 4.35Å; Q217-Y479 PolarHBondContact N-OH 3.33Å
218	A	95.8	Very high	95.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-55.3	-44.2	173.7	0	0	0	0	0	111.5	D214 M221 A222 A249 F250 F295	D214-A218 WeakPolarHBondContact O-CB 3.09Å; D214-A218 PolarHBondContact O-N 3.02Å; A218-M221 PolarHBondContact O-N 3.22Å; A218-A222 WeakPolarHBondContact O-CB 3.23Å; A218-A222 PolarHBondContact O-N 2.98Å; A218-A249 HydrophobicContact CB-CB 3.86Å; A218-F250 HydrophobicContact CB-CB 3.97Å; A218-F295 HydrophobicContact CB-CZ 4.15Å
219	K	95.6	Very high	95	Very high	61 Å²	61	30.9 Å²	30.9	27%	0.265	13%	0.134	S	C	.	.	H	α-helix	trans	-61.4	-47	174.5	-176.5	173.2	177.2	-173.9	0	112.2	F215 Y216 Q217 M221 A222 E223 E253 W499	F215-K219 WeakPolarHBondContact O-CB 3.36Å; F215-K219 PolarHBondContact O-N 3.45Å; Y216-K219 PolarHBondContact O-N 3.22Å; Q217-K219 VanDerWaalsContact C-N 3.27Å; Q217-K219 PolarHBondContact O-N 2.99Å; K219-M221 PolarHBondContact O-N 3.2Å; K219-A222 PolarHBondContact O-N 3.19Å; K219-E223 WeakPolarHBondContact CE-OE1 3.15Å; K219-E223 WeakPolarHBondContact O-CG 3.48Å; K219-E223 PolarHBondContact O-N 3.3Å; K219-E253 HydrophobicContact CB-CG 4.26Å; K219-W499 HydrophobicContact CB-CZ2 4.4Å; K219-W499 HydrophobicContact CD-CH2 4.47Å; K219-W499 HydrophobicContact CD-CZ2 3.93Å; K219-W499 HydrophobicContact CG-CZ2 4.03Å
220	A	95.9	Very high	94.9	Very high	0 Å²	0	31 Å²	31	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-60.4	-44.4	177.4	0	0	0	0	0	111.9	Y216 Q217 A222 E223 I224 I343 W499	Y216-A220 WeakPolarHBondContact O-CB 3.46Å; Y216-A220 PolarHBondContact O-N 2.94Å; Q217-A220 PolarHBondContact O-N 3.22Å; Q217-A220 VanDerWaalsContact O-N 3.14Å; A220-A222 PolarHBondContact O-N 2.98Å; A220-E223 PolarHBondContact O-N 2.95Å; A220-I224 WeakPolarHBondContact O-CG1 3.33Å; A220-I224 PolarHBondContact O-N 3.3Å; A220-I343 HydrophobicContact CB-CD1 3.97Å; A220-W499 HydrophobicContact CB-CB 4.27Å; A220-W499 HydrophobicContact CB-CD2 3.8Å; A220-W499 HydrophobicContact CB-CE3 4.48Å; A220-W499 HydrophobicContact CB-CG 3.67Å
221	M	96.8	Very high	94.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-61.4	-44.9	176.4	-66.2	175.7	84.2	0	0	111.7	Q217 A218 K219 E223 I224 L225 F250 I293 F295 V318 I343	Q217-M221 HydrophobicContact CG-SD 4.31Å; Q217-M221 VanDerWaalsContact O-CG 3.32Å; Q217-M221 WeakPolarHBondContact O-CG 3.01Å; Q217-M221 PolarHBondContact O-N 3.07Å; A218-M221 PolarHBondContact O-N 3.22Å; K219-M221 PolarHBondContact O-N 3.2Å; M221-E223 VanDerWaalsContact C-N 3.31Å; M221-E223 PolarHBondContact O-N 3.33Å; M221-I224 WeakPolarHBondContact O-CB 3.46Å; M221-I224 PolarHBondContact O-N 3.14Å; M221-L225 WeakPolarHBondContact O-CG 2.94Å; M221-L225 PolarHBondContact O-N 2.75Å; M221-L225 VanDerWaalsContact O-N 3.11Å; M221-F250 HydrophobicContact CB-CD2 4.06Å; M221-F250 HydrophobicContact CB-CE2 4.12Å; M221-I293 HydrophobicContact CE-CG2 3.69Å; M221-F295 HydrophobicContact CE-CD2 4.41Å; M221-F295 HydrophobicContact CE-CE2 4.14Å; M221-F295 HydrophobicContact SD-CD2 4.03Å; M221-F295 HydrophobicContact SD-CE2 3.24Å; M221-F295 WeakPolarHBondContact SD-CE2 3.19Å; M221-F295 HydrophobicContact SD-CZ 3.59Å; M221-F295 VanDerWaalsContact SD-CZ 3.59Å; M221-V318 HydrophobicContact CE-CB 4.47Å; M221-V318 HydrophobicContact CE-CG1 3.84Å; M221-V318 WeakPolarHBondContact CE-O 3.47Å; M221-V318 HydrophobicContact CG-CG1 4.43Å; M221-I343 HydrophobicContact CB-CD1 4.3Å; M221-I343 HydrophobicContact CG-CD1 3.3Å; M221-I343 HydrophobicContact CG-CG1 4.32Å
222	A	96.6	Very high	94.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-64.9	-34	177.8	0	0	0	0	0	112.7	A218 K219 A220 L225 R226 F250 E253	A218-A222 WeakPolarHBondContact O-CB 3.23Å; A218-A222 PolarHBondContact O-N 2.98Å; K219-A222 PolarHBondContact O-N 3.19Å; A220-A222 PolarHBondContact O-N 2.98Å; A222-L225 PolarHBondContact O-N 3.33Å; A222-R226 WeakPolarHBondContact O-CB 3.47Å; A222-R226 PolarHBondContact O-N 3.42Å; A222-F250 HydrophobicContact CB-CE2 4.24Å; A222-E253 HydrophobicContact CB-CB 3.83Å
223	E	95.9	Very high	94.9	Very high	33 Å²	33	33.4 Å²	33.4	15%	0.154	15%	0.148	C	C	.	.	H	α-helix	trans	-68.4	-37.3	173.4	-75.8	177	-167.8	0	0	112.5	K219 A220 M221 L225 R226 Y227 R257 W499 L503	K219-E223 WeakPolarHBondContact CE-OE1 3.15Å; K219-E223 WeakPolarHBondContact O-CG 3.48Å; K219-E223 PolarHBondContact O-N 3.3Å; A220-E223 PolarHBondContact O-N 2.95Å; M221-E223 VanDerWaalsContact C-N 3.31Å; M221-E223 PolarHBondContact O-N 3.33Å; E223-L225 VanDerWaalsContact C-N 3.35Å; E223-R226 PolarHBondContact O-N 3.01Å; E223-Y227 WeakPolarHBondContact O-CB 3.46Å; E223-Y227 PolarHBondContact O-N 3.07Å; E223-R257 IonicContact OE1-NH2 3.24Å; E223-R257 PolarHBondContact OE1-NH2 3.08Å; E223-W499 PolarHBondContact OE2-NE1 3.28Å; E223-L503 HydrophobicContact CB-CB 4.12Å; E223-L503 HydrophobicContact CB-CD2 4Å; E223-L503 WeakPolarHBondContact O-CD2 3.28Å; E223-L503 PolarHBondContact OE2-N 3.16Å
224	I	95.9	Very high	95	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-60.2	-47	173.1	-67.2	167.1	0	0	0	110	A220 M221 R226 Y227 F228 I343 I481 L503	A220-I224 WeakPolarHBondContact O-CG1 3.33Å; A220-I224 PolarHBondContact O-N 3.3Å; M221-I224 WeakPolarHBondContact O-CB 3.46Å; M221-I224 PolarHBondContact O-N 3.14Å; I224-R226 VanDerWaalsContact C-N 3.32Å; I224-R226 PolarHBondContact O-N 3.2Å; I224-Y227 WeakPolarHBondContact O-CB 3.43Å; I224-Y227 PolarHBondContact O-N 3.42Å; I224-F228 HydrophobicContact CG2-CD2 4.02Å; I224-F228 HydrophobicContact CG2-CE2 4Å; I224-F228 WeakPolarHBondContact O-CD2 3.14Å; I224-F228 PolarHBondContact O-N 2.96Å; I224-I343 HydrophobicContact CD1-CD1 3.78Å; I224-I343 HydrophobicContact CD1-CG1 4.12Å; I224-I481 HydrophobicContact CD1-CD1 3.96Å; I224-I481 HydrophobicContact CD1-CG1 4.37Å; I224-I481 HydrophobicContact CD1-CG2 4.1Å; I224-I481 HydrophobicContact CG1-CD1 4.23Å; I224-L503 HydrophobicContact CB-CD2 4.45Å; I224-L503 HydrophobicContact CG1-CD1 3.99Å; I224-L503 HydrophobicContact CG1-CD2 3.94Å
225	L	96.4	Very high	95.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-59.7	-44.1	177.4	-62	-167.6	0	0	0	112	M221 A222 E223 Y227 F228 N229 W230 V233 F250 I259 V291 I293 V318	M221-L225 WeakPolarHBondContact O-CG 2.94Å; M221-L225 PolarHBondContact O-N 2.75Å; M221-L225 VanDerWaalsContact O-N 3.11Å; A222-L225 PolarHBondContact O-N 3.33Å; E223-L225 VanDerWaalsContact C-N 3.35Å; L225-Y227 VanDerWaalsContact C-N 3.33Å; L225-Y227 PolarHBondContact O-N 3.15Å; L225-F228 PolarHBondContact O-N 2.65Å; L225-N229 PolarHBondContact O-N 3.14Å; L225-W230 HydrophobicContact CB-CB 4.39Å; L225-W230 HydrophobicContact CD2-CB 4.4Å; L225-W230 HydrophobicContact CD2-CE3 3.56Å; L225-W230 HydrophobicContact CD2-CZ3 4.26Å; L225-W230 PolarHBondContact O-N 3.29Å; L225-V233 HydrophobicContact CD1-CG1 3.77Å; L225-V233 HydrophobicContact CD1-CG2 4.14Å; L225-V233 HydrophobicContact CD2-CG1 4.33Å; L225-F250 HydrophobicContact CD1-CE2 4.02Å; L225-F250 HydrophobicContact CD1-CZ 3.62Å; L225-I259 HydrophobicContact CB-CD1 3.7Å; L225-I259 HydrophobicContact CD1-CD1 4.03Å; L225-I259 HydrophobicContact CD1-CG2 4.03Å; L225-V291 HydrophobicContact CD2-CG1 3.87Å; L225-I293 HydrophobicContact CD1-CD1 3.93Å; L225-I293 HydrophobicContact CD1-CG1 4.44Å; L225-I293 HydrophobicContact CD2-CD1 3.82Å; L225-I293 HydrophobicContact CG-CD1 4.21Å; L225-V318 HydrophobicContact CD2-CG2 4.26Å
226	R	94.8	Very high	95.5	Very high	130 Å²	130	29.1 Å²	29.1	49%	0.491	13%	0.128	S	C	.	.	H	α-helix	trans	-63.7	-39.9	178.5	-178.8	58.4	178.4	176.1	2.3	111.8	A222 E223 I224 F228 N229	A222-R226 WeakPolarHBondContact O-CB 3.47Å; A222-R226 PolarHBondContact O-N 3.42Å; E223-R226 PolarHBondContact O-N 3.01Å; I224-R226 VanDerWaalsContact C-N 3.32Å; I224-R226 PolarHBondContact O-N 3.2Å; R226-F228 VanDerWaalsContact C-N 3.3Å; R226-F228 PolarHBondContact O-N 3.32Å; R226-N229 PolarHBondContact O-N 3.23Å
227	Y	94.8	Very high	95.7	Very high	113 Å²	113	25.2 Å²	25.2	44%	0.443	11%	0.113	S	C	.	.	H	α-helix	trans	-60.1	-39.4	178.7	-173.1	-87.7	0	0	0	112.1	E223 I224 L225 L503 L505 T507	E223-Y227 WeakPolarHBondContact O-CB 3.46Å; E223-Y227 PolarHBondContact O-N 3.07Å; I224-Y227 WeakPolarHBondContact O-CB 3.43Å; I224-Y227 PolarHBondContact O-N 3.42Å; L225-Y227 VanDerWaalsContact C-N 3.33Å; L225-Y227 PolarHBondContact O-N 3.15Å; Y227-L503 HydrophobicContact CG-CD2 4.47Å; Y227-L505 HydrophobicContact CD1-CD1 3.81Å; Y227-L505 HydrophobicContact CE1-CB 4.46Å; Y227-L505 HydrophobicContact CE1-CD1 4.2Å; Y227-L505 HydrophobicContact CG-CD1 4.07Å; Y227-T507 HydrophobicContact CE1-CG2 3.63Å; Y227-T507 WeakPolarHBondContact OH-CG2 3.14Å
228	F	93.4	Very high	95.6	Very high	19 Å²	19	25.2 Å²	25.2	8%	0.083	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	7.6	178.5	-65.8	-61	0	0	0	114.7	I224 L225 R226 W230 F341 L505 T507 I510 W512 V517	I224-F228 HydrophobicContact CG2-CD2 4.02Å; I224-F228 HydrophobicContact CG2-CE2 4Å; I224-F228 WeakPolarHBondContact O-CD2 3.14Å; I224-F228 PolarHBondContact O-N 2.96Å; L225-F228 PolarHBondContact O-N 2.65Å; R226-F228 VanDerWaalsContact C-N 3.3Å; R226-F228 PolarHBondContact O-N 3.32Å; F228-W230 HydrophobicContact CB-CD2 3.68Å; F228-W230 HydrophobicContact CB-CE3 3.98Å; F228-W230 HydrophobicContact CB-CG 4.18Å; F228-W230 HydrophobicContact CB-CH2 4.23Å; F228-W230 HydrophobicContact CB-CZ2 3.92Å; F228-W230 HydrophobicContact CB-CZ3 4.26Å; F228-W230 HydrophobicContact CD2-CE3 4.24Å; F228-W230 AromaticContact CD2-CH2 3.79Å; F228-W230 HydrophobicContact CD2-CH2 3.79Å; F228-W230 HydrophobicContact CD2-CZ2 4.25Å; F228-W230 AromaticContact CD2-CZ3 3.78Å; F228-W230 HydrophobicContact CD2-CZ3 3.78Å; F228-W230 HydrophobicContact CE2-CH2 4.46Å; F228-W230 HydrophobicContact CG-CH2 4.14Å; F228-W230 HydrophobicContact CG-CZ2 4.13Å; F228-W230 HydrophobicContact CG-CZ3 4.34Å; F228-W230 PolarHBondContact O-N 3.22Å; F228-F341 AromaticContact CE2-CE1 4Å; F228-F341 HydrophobicContact CE2-CE1 4Å; F228-F341 HydrophobicContact CE2-CE2 4.49Å; F228-F341 AromaticContact CE2-CZ 3.83Å; F228-F341 HydrophobicContact CE2-CZ 3.83Å; F228-F341 HydrophobicContact CZ-CE1 4.27Å; F228-F341 HydrophobicContact CZ-CZ 4.03Å; F228-L505 HydrophobicContact CE2-CD1 3.9Å; F228-L505 HydrophobicContact CZ-CD1 3.99Å; F228-T507 HydrophobicContact CE1-CG2 4.47Å; F228-I510 HydrophobicContact CZ-CD1 3.87Å; F228-W512 HydrophobicContact CD1-CH2 4.29Å; F228-W512 AromaticContact CD1-CZ2 3.99Å; F228-W512 HydrophobicContact CD1-CZ2 3.99Å; F228-W512 HydrophobicContact CE1-CH2 4.08Å; F228-W512 AromaticContact CE1-CZ2 3.51Å; F228-W512 HydrophobicContact CE1-CZ2 3.51Å; F228-W512 HydrophobicContact CE2-CH2 4.5Å; F228-W512 HydrophobicContact CZ-CH2 4.19Å; F228-W512 AromaticContact CZ-CZ2 3.85Å; F228-W512 HydrophobicContact CZ-CZ2 3.85Å; F228-V517 HydrophobicContact CB-CG1 4.13Å; F228-V517 HydrophobicContact CD1-CG1 4Å; F228-V517 HydrophobicContact CD1-CG2 4.32Å; F228-V517 HydrophobicContact CG-CG1 4.34Å
229	N	93.4	Very high	95.4	Very high	114 Å²	114	29.6 Å²	29.6	61%	0.61	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.5	33.4	-175.7	-64.4	-43	0	0	0	114.1	L225 R226 T231	L225-N229 PolarHBondContact O-N 3.14Å; R226-N229 PolarHBondContact O-N 3.23Å; N229-T231 PolarHBondContact O-N 3.41Å
230	W	95.1	Very high	95	Very high	3 Å²	3	27.8 Å²	27.8	1%	0.011	13%	0.132	C	C	.	.			trans	-82.4	112.2	172.6	-63	-28.1	0	0	0	110	L225 F228 V291 T316 V318 F341 W512 V517 P518	L225-W230 HydrophobicContact CB-CB 4.39Å; L225-W230 HydrophobicContact CD2-CB 4.4Å; L225-W230 HydrophobicContact CD2-CE3 3.56Å; L225-W230 HydrophobicContact CD2-CZ3 4.26Å; L225-W230 PolarHBondContact O-N 3.29Å; F228-W230 HydrophobicContact CB-CD2 3.68Å; F228-W230 HydrophobicContact CB-CE3 3.98Å; F228-W230 HydrophobicContact CB-CG 4.18Å; F228-W230 HydrophobicContact CB-CH2 4.23Å; F228-W230 HydrophobicContact CB-CZ2 3.92Å; F228-W230 HydrophobicContact CB-CZ3 4.26Å; F228-W230 HydrophobicContact CD2-CE3 4.24Å; F228-W230 AromaticContact CD2-CH2 3.79Å; F228-W230 HydrophobicContact CD2-CH2 3.79Å; F228-W230 HydrophobicContact CD2-CZ2 4.25Å; F228-W230 AromaticContact CD2-CZ3 3.78Å; F228-W230 HydrophobicContact CD2-CZ3 3.78Å; F228-W230 HydrophobicContact CE2-CH2 4.46Å; F228-W230 HydrophobicContact CG-CH2 4.14Å; F228-W230 HydrophobicContact CG-CZ2 4.13Å; F228-W230 HydrophobicContact CG-CZ3 4.34Å; F228-W230 PolarHBondContact O-N 3.22Å; W230-V291 HydrophobicContact CB-CG2 4.47Å; W230-V291 HydrophobicContact CD2-CG2 3.61Å; W230-V291 HydrophobicContact CE3-CG1 4.12Å; W230-V291 HydrophobicContact CE3-CG2 3.85Å; W230-V291 HydrophobicContact CG-CG2 3.91Å; W230-V291 HydrophobicContact CZ2-CG2 4.34Å; W230-V291 HydrophobicContact CZ3-CG1 4.42Å; W230-V291 HydrophobicContact CZ3-CG2 4.3Å; W230-T316 HydrophobicContact CH2-CG2 3.81Å; W230-T316 HydrophobicContact CZ2-CG2 4.26Å; W230-T316 HydrophobicContact CZ3-CG2 4.4Å; W230-V318 HydrophobicContact CZ3-CG2 4.2Å; W230-F341 HydrophobicContact CH2-CD2 4.25Å; W230-F341 AromaticContact CH2-CE2 3.9Å; W230-F341 HydrophobicContact CH2-CE2 3.9Å; W230-W512 HydrophobicContact CH2-CH2 4.1Å; W230-W512 HydrophobicContact CH2-CZ3 4.44Å; W230-W512 HydrophobicContact CZ2-CH2 4.01Å; W230-W512 HydrophobicContact CZ2-CZ3 4.18Å; W230-V517 HydrophobicContact CZ2-CG1 3.96Å; W230-P518 HydrophobicContact CZ2-CG 4.05Å; W230-P518 PolarHBondContact NE1-O 3.42Å
231	T	93.3	Very high	94.7	Very high	38 Å²	38	29.5 Å²	29.5	23%	0.233	14%	0.141	C	C	.	.			trans	-111.9	-10.1	-171.7	54.6	0	0	0	0	113.5	N229 C260 S520	N229-T231 PolarHBondContact O-N 3.41Å; T231-C260 PolarHBondContact O-N 2.72Å; T231-S520 PolarHBondContact N-O 2.7Å
232	Y	94.9	Very high	94.4	Very high	17 Å²	17	30.5 Å²	30.5	7%	0.067	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	111.2	179.7	-168.4	-119.1	0	0	0	110.4	C260 A262 N288 A289 S520 C522	Y232-C260 WeakPolarHBondContact CA-O 3.39Å; Y232-C260 HydrophobicContact CD2-CB 3.96Å; Y232-A262 HydrophobicContact CD1-CB 4.19Å; Y232-A262 HydrophobicContact CD2-CB 4.28Å; Y232-A262 HydrophobicContact CE1-CB 3.53Å; Y232-A262 HydrophobicContact CE2-CB 3.64Å; Y232-A262 WeakPolarHBondContact OH-CB 3.33Å; Y232-N288 HydrophobicContact CD1-CB 4.19Å; Y232-N288 HydrophobicContact CE1-CB 4.24Å; Y232-A289 HydrophobicContact CD1-CB 3.73Å; Y232-A289 HydrophobicContact CE1-CB 3.86Å; Y232-S520 PolarHBondContact N-O 3.23Å; Y232-S520 WeakPolarHBondContact O-CB 3.28Å; Y232-S520 PolarHBondContact O-OG 2.71Å; Y232-C522 VanDerWaalsContact CB-N 3.34Å; Y232-C522 HydrophobicContact CD1-CB 4.01Å; Y232-C522 HydrophobicContact CD2-CB 3.7Å; Y232-C522 HydrophobicContact CE1-CB 4.25Å; Y232-C522 HydrophobicContact CE2-CB 3.96Å; Y232-C522 HydrophobicContact CG-CB 3.72Å
233	V	96.8	Very high	94.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	159.5	-171.2	-56.4	0	0	0	0	111.7	L225 F250 I259 C260 I261 A262 V291 I293	L225-V233 HydrophobicContact CD1-CG1 3.77Å; L225-V233 HydrophobicContact CD1-CG2 4.14Å; L225-V233 HydrophobicContact CD2-CG1 4.33Å; V233-F250 HydrophobicContact CG2-CE1 4.48Å; V233-F250 HydrophobicContact CG2-CZ 4.43Å; V233-I259 HydrophobicContact CG1-CG2 4.37Å; V233-I259 HydrophobicContact CG2-CG2 4.04Å; V233-C260 PolarHBondContact N-O 2.92Å; V233-I261 CarbonylContact O-C 3.31Å; V233-I261 VanDerWaalsContact O-CA 3.29Å; V233-I261 WeakPolarHBondContact O-CA 3.34Å; V233-A262 PolarHBondContact O-N 2.92Å; V233-V291 WeakPolarHBondContact CA-O 3.23Å; V233-V291 HydrophobicContact CG1-CB 3.95Å; V233-V291 HydrophobicContact CG1-CG1 4.07Å; V233-I293 HydrophobicContact CB-CG1 4.36Å; V233-I293 HydrophobicContact CG2-CG1 4.1Å
234	S	97.3	Very high	94	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	157.9	168.6	-62.5	0	0	0	0	110.8	T263 L283 V291 V292 I293	S234-T263 WeakPolarHBondContact CA-O 3.4Å; S234-L283 VanDerWaalsContact CB-CD2 3.44Å; S234-V291 PolarHBondContact N-O 2.84Å; S234-V292 WeakPolarHBondContact O-CA 3.36Å; S234-I293 PolarHBondContact O-N 2.79Å
235	T	97.5	Very high	93.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	140.7	-177.3	58.1	0	0	0	0	111.2	I247 F250 I261 T263 S264 A265 I293	T235-I247 HydrophobicContact CG2-CD1 3.79Å; T235-I247 HydrophobicContact CG2-CG1 4.28Å; T235-F250 HydrophobicContact CG2-CD1 4.15Å; T235-F250 HydrophobicContact CG2-CE1 3.9Å; T235-I261 HydrophobicContact CG2-CD1 4.17Å; T235-I261 HydrophobicContact CG2-CG1 4.29Å; T235-I261 HydrophobicContact CG2-CG2 3.91Å; T235-T263 PolarHBondContact N-O 3.42Å; T235-T263 PolarHBondContact OG1-O 2.95Å; T235-S264 WeakPolarHBondContact O-CA 3.27Å; T235-S264 VanDerWaalsContact OG1-CA 3.31Å; T235-S264 WeakPolarHBondContact OG1-CA 3.5Å; T235-S264 VanDerWaalsContact OG1-CB 3.25Å; T235-S264 WeakPolarHBondContact OG1-CB 3.46Å; T235-S264 PolarHBondContact OG1-OG 3.46Å; T235-A265 PolarHBondContact O-N 3.37Å; T235-I293 CarbonylContact C-O 3.52Å; T235-I293 WeakPolarHBondContact CA-O 3.46Å; T235-I293 HydrophobicContact CG2-CB 4.09Å; T235-I293 HydrophobicContact CG2-CG1 4.49Å
236	V	97.7	Very high	93.7	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	130.9	171.8	-172.3	0	0	0	0	109.3	A265 V267 V279 L283 V292 I293 L294 F295 T296 L304	V236-A265 VanDerWaalsContact CA-O 3.3Å; V236-A265 WeakPolarHBondContact CA-O 3.2Å; V236-A265 HydrophobicContact CG2-CB 4.41Å; V236-V267 HydrophobicContact CG1-CB 4.49Å; V236-V267 HydrophobicContact CG1-CG1 3.84Å; V236-V267 HydrophobicContact CG1-CG2 3.9Å; V236-V279 HydrophobicContact CG1-CG1 4.47Å; V236-V279 HydrophobicContact CG2-CG1 4.36Å; V236-L283 HydrophobicContact CG2-CD1 4.06Å; V236-L283 HydrophobicContact CG2-CD2 4.23Å; V236-V292 HydrophobicContact CG2-CG1 3.89Å; V236-I293 PolarHBondContact N-O 3.49Å; V236-L294 HydrophobicContact CB-CD2 3.7Å; V236-L294 HydrophobicContact CG2-CD2 4.06Å; V236-F295 PolarHBondContact O-N 2.9Å; V236-T296 HydrophobicContact CG1-CG2 4.23Å; V236-L304 HydrophobicContact CB-CD2 4.44Å; V236-L304 HydrophobicContact CG1-CD2 4.14Å; V236-L304 HydrophobicContact CG2-CD2 4.41Å
237	A	97	Very high	93.7	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.008	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	145.4	-179.6	0	0	0	0	0	112	G243 I247 A265 K266 V267 F295	A237-G243 WeakPolarHBondContact CB-O 3.47Å; A237-I247 HydrophobicContact CB-CB 3.95Å; A237-I247 HydrophobicContact CB-CG1 4.47Å; A237-I247 HydrophobicContact CB-CG2 3.75Å; A237-A265 PolarHBondContact N-O 3.48Å; A237-K266 CarbonylContact O-C 3.49Å; A237-K266 VanDerWaalsContact O-CA 3.28Å; A237-K266 WeakPolarHBondContact O-CA 3.34Å; A237-V267 PolarHBondContact O-N 3.34Å; A237-F295 WeakPolarHBondContact CA-O 3.34Å
238	S	93.9	Very high	93.7	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.007	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	142.6	169	-74.4	0	0	0	0	110.9	G240 G243 V267 F295 T296 R297 D300	S238-G240 PolarHBondContact O-N 3.27Å; S238-G243 WeakPolarHBondContact O-CA 3.44Å; S238-V267 CarbonylContact C-O 3.57Å; S238-V267 VanDerWaalsContact CA-O 3.27Å; S238-V267 WeakPolarHBondContact CA-O 3.33Å; S238-F295 PolarHBondContact N-O 3.02Å; S238-T296 WeakPolarHBondContact OG-CA 3.5Å; S238-T296 WeakPolarHBondContact OG-CB 3.39Å; S238-R297 PolarHBondContact OG-N 3Å; S238-D300 VanDerWaalsContact CB-OD2 3.29Å; S238-D300 WeakPolarHBondContact CB-OD2 3.3Å; S238-D300 WeakPolarHBondContact OG-CB 3.15Å; S238-D300 PolarHBondContact OG-OD2 3.28Å
239	E	91.1	Very high	93.8	Very high	91 Å²	91	24.9 Å²	24.9	43%	0.425	14%	0.135	S	C	.	.	S	Bend	trans	-62.1	129.8	165.4	-71.7	-177.2	171.4	0	0	110.4	V267 S268 R297	E239-V267 PolarHBondContact N-O 2.97Å; E239-S268 VanDerWaalsContact CD-CB 3.45Å; E239-S268 WeakPolarHBondContact OE2-CB 3.46Å; E239-S268 PolarHBondContact OE2-OG 3.25Å; E239-R297 PolarHBondContact O-NH1 2.99Å; E239-R297 PolarHBondContact O-NH2 3.5Å
240	G	87.1	Confident	94	Very high	23 Å²	23	19.5 Å²	19.5	24%	0.237	11%	0.106	C	C	.	.	S	Bend	trans	132.9	167.4	-175.3	0	0	0	0	0	111.8	S238 Y242 E244	S238-G240 PolarHBondContact O-N 3.27Å; G240-Y242 PolarHBondContact O-N 3.34Å; G240-E244 WeakPolarHBondContact O-CB 3.3Å; G240-E244 WeakPolarHBondContact O-CG 3.46Å; G240-E244 PolarHBondContact O-N 3.09Å; G240-E244 VanDerWaalsContact O-N 3.13Å
241	D	88.7	Confident	94	Very high	36 Å²	36	21.2 Å²	21.2	19%	0.193	11%	0.114	C	C	.	.	H	α-helix	trans	-64	-30.4	-178.6	-73.2	-59.2	0	0	0	112.1	D172 I175 S195 K197 T245	D172-D241 WeakPolarHBondContact OD1-CA 3.44Å; D172-D241 VanDerWaalsContact OD1-CB 3.32Å; D172-D241 WeakPolarHBondContact OD1-CB 3.41Å; D172-D241 PolarHBondContact OD1-N 3.34Å; I175-D241 HydrophobicContact CD1-CB 3.58Å; I175-D241 VanDerWaalsContact CD1-OD2 3.25Å; I175-D241 WeakPolarHBondContact CD1-OD2 3.33Å; S195-D241 PolarHBondContact OG-O 3.49Å; K197-D241 HydrophobicContact CD-CB 4.45Å; K197-D241 WeakPolarHBondContact CD-OD1 3.36Å; K197-D241 WeakPolarHBondContact CE-OD1 3.31Å; K197-D241 IonicContact NZ-OD1 2.93Å; K197-D241 PolarHBondContact NZ-OD1 3.05Å; D241-T245 VanDerWaalsContact O-CB 3.27Å; D241-T245 WeakPolarHBondContact O-CB 3.45Å; D241-T245 WeakPolarHBondContact O-CG2 3.29Å; D241-T245 PolarHBondContact O-N 3.38Å; D241-T245 PolarHBondContact O-OG1 3.39Å
242	Y	90.2	Very high	94	Very high	21 Å²	21	25.3 Å²	25.3	8%	0.082	13%	0.13	C	C	.	.	H	α-helix	trans	-64.7	-60.4	175.2	172.1	-106.9	0	0	0	112.4	T194 D214 G240 G246 R297 S320 D321 G322	T194-Y242 WeakPolarHBondContact OG1-CE2 3.37Å; D214-Y242 VanDerWaalsContact OD2-CD2 3.3Å; D214-Y242 WeakPolarHBondContact OD2-CD2 3.48Å; G240-Y242 PolarHBondContact O-N 3.34Å; Y242-G246 PolarHBondContact O-N 3.4Å; Y242-R297 HydrophobicContact CD1-CG 4.37Å; Y242-S320 VanDerWaalsContact OH-CB 3.26Å; Y242-S320 WeakPolarHBondContact OH-CB 3.41Å; Y242-S320 PolarHBondContact OH-OG 2.97Å; Y242-D321 PolarHBondContact OH-OD1 2.86Å; Y242-D321 VanDerWaalsContact OH-OD1 3.09Å; Y242-G322 PolarHBondContact OH-N 3.43Å
243	G	92.7	Very high	94	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.01	13%	0.133	C	C	.	.	H	α-helix	trans	-67.9	-41.8	-173.1	0	0	0	0	0	112.9	A237 S238 I247 F295	A237-G243 WeakPolarHBondContact CB-O 3.47Å; S238-G243 WeakPolarHBondContact O-CA 3.44Å; G243-I247 WeakPolarHBondContact O-CB 3.33Å; G243-I247 WeakPolarHBondContact O-CG2 3.44Å; G243-I247 PolarHBondContact O-N 2.94Å; G243-F295 VanDerWaalsContact CA-O 3.27Å; G243-F295 WeakPolarHBondContact CA-O 3.49Å
244	E	92.4	Very high	93.9	Very high	61 Å²	61	25.7 Å²	25.7	29%	0.285	13%	0.133	S	C	.	.	H	α-helix	trans	-68.9	-47.1	-179.1	-64.3	-168	165.8	0	0	112.3	G240 I247 D248 K266	G240-E244 WeakPolarHBondContact O-CB 3.3Å; G240-E244 WeakPolarHBondContact O-CG 3.46Å; G240-E244 PolarHBondContact O-N 3.09Å; G240-E244 VanDerWaalsContact O-N 3.13Å; E244-I247 WeakPolarHBondContact O-CG2 3.46Å; E244-I247 PolarHBondContact O-N 3.21Å; E244-D248 WeakPolarHBondContact O-CB 3.42Å; E244-D248 VanDerWaalsContact O-CG 3.23Å; E244-D248 PolarHBondContact O-N 3.48Å; E244-K266 VanDerWaalsContact CD-NZ 3.32Å; E244-K266 IonicContact OE1-NZ 2.76Å; E244-K266 PolarHBondContact OE1-NZ 3.5Å; E244-K266 IonicContact OE2-NZ 3.54Å
245	T	92.3	Very high	93.7	Very high	17 Å²	17	34.3 Å²	34.3	10%	0.104	17%	0.165	C	C	.	.	H	α-helix	trans	-72.3	-34.2	-179.1	66.8	0	0	0	0	112.3	S195 K197 D241 A249	S195-T245 PolarHBondContact OG-OG1 3.06Å; K197-T245 HydrophobicContact CD-CG2 3.67Å; K197-T245 HydrophobicContact CG-CG2 3.85Å; D241-T245 VanDerWaalsContact O-CB 3.27Å; D241-T245 WeakPolarHBondContact O-CB 3.45Å; D241-T245 WeakPolarHBondContact O-CG2 3.29Å; D241-T245 PolarHBondContact O-N 3.38Å; D241-T245 PolarHBondContact O-OG1 3.39Å; T245-A249 WeakPolarHBondContact O-CB 3.19Å; T245-A249 PolarHBondContact O-N 2.87Å
246	G	93.9	Very high	93.5	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-63.4	-45.9	174.2	0	0	0	0	0	111.8	Y242 A249 F250	Y242-G246 PolarHBondContact O-N 3.4Å; G246-A249 PolarHBondContact O-N 2.7Å; G246-F250 PolarHBondContact O-N 3.04Å
247	I	95.3	Very high	93.2	Very high	6 Å²	6	40.3 Å²	40.3	3%	0.031	21%	0.205	C	C	.	.	H	α-helix	trans	-69	-39.5	178	-155.8	67.5	0	0	0	112	T235 A237 G243 E244 A249 F250 Q251 I293 F295	T235-I247 HydrophobicContact CG2-CD1 3.79Å; T235-I247 HydrophobicContact CG2-CG1 4.28Å; A237-I247 HydrophobicContact CB-CB 3.95Å; A237-I247 HydrophobicContact CB-CG1 4.47Å; A237-I247 HydrophobicContact CB-CG2 3.75Å; G243-I247 WeakPolarHBondContact O-CB 3.33Å; G243-I247 WeakPolarHBondContact O-CG2 3.44Å; G243-I247 PolarHBondContact O-N 2.94Å; E244-I247 WeakPolarHBondContact O-CG2 3.46Å; E244-I247 PolarHBondContact O-N 3.21Å; I247-A249 VanDerWaalsContact C-N 3.31Å; I247-A249 PolarHBondContact O-N 3.19Å; I247-F250 HydrophobicContact CD1-CB 4.32Å; I247-F250 HydrophobicContact CD1-CD1 3.94Å; I247-F250 HydrophobicContact CD1-CG 4.39Å; I247-F250 CarbonylContact O-C 3.55Å; I247-F250 WeakPolarHBondContact O-CA 3.48Å; I247-F250 WeakPolarHBondContact O-CB 3.39Å; I247-F250 PolarHBondContact O-N 2.92Å; I247-Q251 VanDerWaalsContact O-CG 3.27Å; I247-Q251 WeakPolarHBondContact O-CG 3.49Å; I247-Q251 PolarHBondContact O-N 3.18Å; I247-I293 HydrophobicContact CD1-CG2 3.95Å; I247-F295 HydrophobicContact CB-CB 4.25Å; I247-F295 HydrophobicContact CD1-CB 4.28Å; I247-F295 HydrophobicContact CD1-CD2 3.81Å; I247-F295 HydrophobicContact CD1-CG 4.46Å
248	D	94.3	Very high	92.9	Very high	83 Å²	83	46.7 Å²	46.7	44%	0.444	23%	0.234	S	C	.	.	H	α-helix	trans	-59.5	-42.6	176.2	-75.5	-14.2	0	0	0	111.7	E244 F250 Q251 Q252	E244-D248 WeakPolarHBondContact O-CB 3.42Å; E244-D248 VanDerWaalsContact O-CG 3.23Å; E244-D248 PolarHBondContact O-N 3.48Å; D248-F250 VanDerWaalsContact C-N 3.34Å; D248-Q251 PolarHBondContact O-N 3.41Å; D248-Q252 WeakPolarHBondContact O-CG 3.31Å; D248-Q252 PolarHBondContact O-N 3.36Å
249	A	95	Very high	92.9	Very high	10 Å²	10	47 Å²	47	8%	0.083	24%	0.236	C	C	.	.	H	α-helix	trans	-61.5	-42.5	173	0	0	0	0	0	111.5	F215 A218 T245 G246 I247 Q251 Q252 E253	F215-A249 HydrophobicContact CD2-CB 4.34Å; A218-A249 HydrophobicContact CB-CB 3.86Å; T245-A249 WeakPolarHBondContact O-CB 3.19Å; T245-A249 PolarHBondContact O-N 2.87Å; G246-A249 PolarHBondContact O-N 2.7Å; I247-A249 VanDerWaalsContact C-N 3.31Å; I247-A249 PolarHBondContact O-N 3.19Å; A249-Q251 PolarHBondContact O-N 2.96Å; A249-Q252 PolarHBondContact O-N 3.45Å; A249-E253 PolarHBondContact O-N 3.28Å; A249-E253 VanDerWaalsContact O-N 3.11Å
250	F	96.6	Very high	93	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-62.2	-40.9	174.7	172.8	-93.3	0	0	0	112.5	A218 M221 A222 L225 V233 T235 G246 I247 D248 Q252 E253 A254 I293 F295	A218-F250 HydrophobicContact CB-CB 3.97Å; M221-F250 HydrophobicContact CB-CD2 4.06Å; M221-F250 HydrophobicContact CB-CE2 4.12Å; A222-F250 HydrophobicContact CB-CE2 4.24Å; L225-F250 HydrophobicContact CD1-CE2 4.02Å; L225-F250 HydrophobicContact CD1-CZ 3.62Å; V233-F250 HydrophobicContact CG2-CE1 4.48Å; V233-F250 HydrophobicContact CG2-CZ 4.43Å; T235-F250 HydrophobicContact CG2-CD1 4.15Å; T235-F250 HydrophobicContact CG2-CE1 3.9Å; G246-F250 PolarHBondContact O-N 3.04Å; I247-F250 HydrophobicContact CD1-CB 4.32Å; I247-F250 HydrophobicContact CD1-CD1 3.94Å; I247-F250 HydrophobicContact CD1-CG 4.39Å; I247-F250 CarbonylContact O-C 3.55Å; I247-F250 WeakPolarHBondContact O-CA 3.48Å; I247-F250 WeakPolarHBondContact O-CB 3.39Å; I247-F250 PolarHBondContact O-N 2.92Å; D248-F250 VanDerWaalsContact C-N 3.34Å; F250-Q252 VanDerWaalsContact C-N 3.26Å; F250-Q252 PolarHBondContact O-N 3Å; F250-E253 PolarHBondContact O-N 3.45Å; F250-A254 HydrophobicContact CE1-CB 4.15Å; F250-A254 HydrophobicContact CZ-CB 4.21Å; F250-A254 VanDerWaalsContact O-CB 3.24Å; F250-A254 WeakPolarHBondContact O-CB 3.13Å; F250-A254 PolarHBondContact O-N 3.24Å; F250-I293 HydrophobicContact CD1-CG2 4.02Å; F250-I293 HydrophobicContact CD2-CG2 4.26Å; F250-I293 HydrophobicContact CE1-CB 4.27Å; F250-I293 HydrophobicContact CE1-CG1 3.85Å; F250-I293 HydrophobicContact CE1-CG2 3.97Å; F250-I293 HydrophobicContact CE2-CD1 4.21Å; F250-I293 HydrophobicContact CE2-CG1 4.25Å; F250-I293 HydrophobicContact CE2-CG2 4.2Å; F250-I293 HydrophobicContact CG-CG2 4.18Å; F250-I293 HydrophobicContact CZ-CB 4.36Å; F250-I293 HydrophobicContact CZ-CD1 3.95Å; F250-I293 HydrophobicContact CZ-CG1 3.59Å; F250-I293 HydrophobicContact CZ-CG2 4.07Å; F250-F295 HydrophobicContact CB-CD2 4.38Å; F250-F295 HydrophobicContact CB-CE2 3.85Å; F250-F295 HydrophobicContact CG-CE2 4.41Å
251	Q	95.1	Very high	93.4	Very high	40 Å²	40	44.8 Å²	44.8	19%	0.187	22%	0.222	C	C	.	.	H	α-helix	trans	-60.6	-37.5	177.5	-61.7	-167.1	-2.6	0	0	111.8	I247 D248 A249 R255 I261	I247-Q251 VanDerWaalsContact O-CG 3.27Å; I247-Q251 WeakPolarHBondContact O-CG 3.49Å; I247-Q251 PolarHBondContact O-N 3.18Å; D248-Q251 PolarHBondContact O-N 3.41Å; A249-Q251 PolarHBondContact O-N 2.96Å; Q251-R255 VanDerWaalsContact O-CG 3.28Å; Q251-R255 WeakPolarHBondContact O-CG 3.48Å; Q251-R255 PolarHBondContact O-N 3.21Å; Q251-I261 HydrophobicContact CB-CD1 4.03Å; Q251-I261 HydrophobicContact CG-CD1 3.53Å
252	Q	94.2	Very high	93.5	Very high	123 Å²	123	44 Å²	44	58%	0.575	22%	0.22	S	C	*	.	H	α-helix	trans	-66.5	-47.7	176.1	-66	174.8	20.5	0	0	111.2	D248 A249 F250 A254 R255 A256	D248-Q252 WeakPolarHBondContact O-CG 3.31Å; D248-Q252 PolarHBondContact O-N 3.36Å; A249-Q252 PolarHBondContact O-N 3.45Å; F250-Q252 VanDerWaalsContact C-N 3.26Å; F250-Q252 PolarHBondContact O-N 3Å; Q252-A254 VanDerWaalsContact C-N 3.31Å; Q252-A254 PolarHBondContact O-N 3.34Å; Q252-R255 PolarHBondContact O-N 3Å; Q252-A256 PolarHBondContact O-N 3.41Å
253	E	95.3	Very high	93.7	Very high	26 Å²	26	44 Å²	44	12%	0.121	22%	0.223	C	C	.	.	H	α-helix	trans	-65.6	-32.9	178.6	-69.9	-63.7	130.2	0	0	112.9	F215 K219 A222 A249 F250 R257	F215-E253 HydrophobicContact CE2-CG 4.27Å; F215-E253 VanDerWaalsContact CE2-OE1 3.28Å; F215-E253 WeakPolarHBondContact CE2-OE1 3.47Å; F215-E253 VanDerWaalsContact CZ-OE1 3.23Å; F215-E253 WeakPolarHBondContact CZ-OE1 3.26Å; K219-E253 HydrophobicContact CB-CG 4.26Å; A222-E253 HydrophobicContact CB-CB 3.83Å; A249-E253 PolarHBondContact O-N 3.28Å; A249-E253 VanDerWaalsContact O-N 3.11Å; F250-E253 PolarHBondContact O-N 3.45Å; E253-R257 PolarHBondContact O-N 3.27Å; E253-R257 PolarHBondContact O-NH1 3.03Å; E253-R257 IonicContact OE2-CZ 3.77Å; E253-R257 IonicContact OE2-NH1 2.71Å; E253-R257 PolarHBondContact OE2-NH1 3.46Å; E253-R257 IonicContact OE2-NH2 3.41Å; E253-R257 PolarHBondContact OE2-NH2 3.39Å; E253-R257 VanDerWaalsContact OE2-NH2 3.12Å
254	A	94.8	Very high	93.8	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-67	-46.9	174.2	0	0	0	0	0	111.6	F250 Q252 A256 R257 Q258 I259	F250-A254 HydrophobicContact CE1-CB 4.15Å; F250-A254 HydrophobicContact CZ-CB 4.21Å; F250-A254 VanDerWaalsContact O-CB 3.24Å; F250-A254 WeakPolarHBondContact O-CB 3.13Å; F250-A254 PolarHBondContact O-N 3.24Å; Q252-A254 VanDerWaalsContact C-N 3.31Å; Q252-A254 PolarHBondContact O-N 3.34Å; A254-A256 VanDerWaalsContact C-N 3.32Å; A254-A256 PolarHBondContact O-N 3.14Å; A254-R257 CarbonylContact O-C 3.45Å; A254-R257 PolarHBondContact O-N 3.46Å; A254-Q258 PolarHBondContact O-N 3.48Å; A254-I259 HydrophobicContact CB-CB 4.06Å; A254-I259 HydrophobicContact CB-CG2 4.42Å; A254-I259 PolarHBondContact O-N 2.82Å
255	R	92.2	Very high	94	Very high	180 Å²	180	44.8 Å²	44.8	68%	0.679	24%	0.236	S	C	*	.	H	α-helix	trans	-59.9	-42.1	175.8	-73.2	176	-161.5	177.1	8.8	111.7	Q251 Q252 R257 Q258	Q251-R255 VanDerWaalsContact O-CG 3.28Å; Q251-R255 WeakPolarHBondContact O-CG 3.48Å; Q251-R255 PolarHBondContact O-N 3.21Å; Q252-R255 PolarHBondContact O-N 3Å; R255-R257 PolarHBondContact O-N 2.88Å; R255-R257 VanDerWaalsContact O-N 3.15Å; R255-Q258 PolarHBondContact O-N 3.22Å
256	A	93.1	Very high	94.1	Very high	77 Å²	77	49 Å²	49	64%	0.636	25%	0.253	S	S	*	.	H	α-helix	trans	-61.1	-22.1	177	0	0	0	0	0	113.4	Q252 A254	Q252-A256 PolarHBondContact O-N 3.41Å; A254-A256 VanDerWaalsContact C-N 3.32Å; A254-A256 PolarHBondContact O-N 3.14Å
257	R	92.8	Very high	94.1	Very high	50 Å²	50	49 Å²	49	19%	0.189	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.7	13.6	-179.5	-70	172	-175.5	71.8	-6.2	113.8	E223 E253 A254 R255 I259	E223-R257 IonicContact OE1-NH2 3.24Å; E223-R257 PolarHBondContact OE1-NH2 3.08Å; E253-R257 PolarHBondContact O-N 3.27Å; E253-R257 PolarHBondContact O-NH1 3.03Å; E253-R257 IonicContact OE2-CZ 3.77Å; E253-R257 IonicContact OE2-NH1 2.71Å; E253-R257 PolarHBondContact OE2-NH1 3.46Å; E253-R257 IonicContact OE2-NH2 3.41Å; E253-R257 PolarHBondContact OE2-NH2 3.39Å; E253-R257 VanDerWaalsContact OE2-NH2 3.12Å; A254-R257 CarbonylContact O-C 3.45Å; A254-R257 PolarHBondContact O-N 3.46Å; R255-R257 PolarHBondContact O-N 2.88Å; R255-R257 VanDerWaalsContact O-N 3.15Å; R257-I259 VanDerWaalsContact C-N 3.32Å; R257-I259 HydrophobicContact CB-CD1 4.09Å; R257-I259 HydrophobicContact CB-CG1 4.28Å; R257-I259 PolarHBondContact O-N 3.19Å
258	Q	91	Very high	93.8	Very high	135 Å²	135	49.3 Å²	49.3	63%	0.631	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	40.8	-178.4	-55.3	-176.3	-53.8	0	0	113.6	A254 R255	A254-Q258 PolarHBondContact O-N 3.48Å; R255-Q258 PolarHBondContact O-N 3.22Å
259	I	93.8	Very high	92.8	Very high	7 Å²	7	49.3 Å²	49.3	4%	0.036	25%	0.248	C	C	.	.			trans	-103.8	125.7	174.2	-57.8	168.6	0	0	0	108.3	L225 V233 A254 R257	L225-I259 HydrophobicContact CB-CD1 3.7Å; L225-I259 HydrophobicContact CD1-CD1 4.03Å; L225-I259 HydrophobicContact CD1-CG2 4.03Å; V233-I259 HydrophobicContact CG1-CG2 4.37Å; V233-I259 HydrophobicContact CG2-CG2 4.04Å; A254-I259 HydrophobicContact CB-CB 4.06Å; A254-I259 HydrophobicContact CB-CG2 4.42Å; A254-I259 PolarHBondContact O-N 2.82Å; R257-I259 VanDerWaalsContact C-N 3.32Å; R257-I259 HydrophobicContact CB-CD1 4.09Å; R257-I259 HydrophobicContact CB-CG1 4.28Å; R257-I259 PolarHBondContact O-N 3.19Å
260	C	92.9	Very high	92	Very high	17 Å²	17	54 Å²	54	12%	0.115	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	148.4	179.8	-68	0	0	0	0	112.1	T231 Y232 V233 C540	T231-C260 PolarHBondContact O-N 2.72Å; Y232-C260 WeakPolarHBondContact CA-O 3.39Å; Y232-C260 HydrophobicContact CD2-CB 3.96Å; V233-C260 PolarHBondContact N-O 2.92Å; C260-C540 HydrophobicContact CB-CB 3.61Å; C260-C540 WeakPolarHBondContact CB-SG 3.39Å; C260-C540 PolarHBondContact N-SG 3.36Å; C260-C540 VanDerWaalsContact N-SG 3.39Å; C260-C540 WeakPolarHBondContact SG-CB 3.39Å; C260-C540 PolarHBondContact SG-N 3.08Å; C260-C540 CovalentContact SG-SG 2.03Å; C260-C540 PolarHBondContact SG-SG 2.91Å
261	I	94.1	Very high	91.4	Very high	51 Å²	51	56.4 Å²	56.4	26%	0.262	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	116.4	-179.7	-60.1	171	0	0	0	108.5	V233 T235 Q251	V233-I261 CarbonylContact O-C 3.31Å; V233-I261 VanDerWaalsContact O-CA 3.29Å; V233-I261 WeakPolarHBondContact O-CA 3.34Å; T235-I261 HydrophobicContact CG2-CD1 4.17Å; T235-I261 HydrophobicContact CG2-CG1 4.29Å; T235-I261 HydrophobicContact CG2-CG2 3.91Å; Q251-I261 HydrophobicContact CB-CD1 4.03Å; Q251-I261 HydrophobicContact CG-CD1 3.53Å
262	A	92.5	Very high	91	Very high	19 Å²	19	57.6 Å²	57.6	16%	0.157	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	-47.8	-177	0	0	0	0	0	112.5	Y232 V233 K286 A289	Y232-A262 HydrophobicContact CD1-CB 4.19Å; Y232-A262 HydrophobicContact CD2-CB 4.28Å; Y232-A262 HydrophobicContact CE1-CB 3.53Å; Y232-A262 HydrophobicContact CE2-CB 3.64Å; Y232-A262 WeakPolarHBondContact OH-CB 3.33Å; V233-A262 PolarHBondContact O-N 2.92Å; A262-K286 HydrophobicContact CB-CB 4.06Å; A262-K286 HydrophobicContact CB-CG 4.09Å; A262-A289 HydrophobicContact CB-CB 3.63Å
263	T	93.7	Very high	90.7	Very high	22 Å²	22	59.9 Å²	59.9	14%	0.135	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	141.8	-177.7	-62.9	0	0	0	0	108.3	S234 T235 S282 K286	S234-T263 WeakPolarHBondContact CA-O 3.4Å; T235-T263 PolarHBondContact N-O 3.42Å; T235-T263 PolarHBondContact OG1-O 2.95Å; T263-S282 WeakPolarHBondContact CG2-OG 3.47Å; T263-K286 WeakPolarHBondContact OG1-CG 3.13Å
264	S	94.9	Very high	90.4	Very high	65 Å²	65	66 Å²	66	46%	0.455	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	126.4	169.4	-164.4	0	0	0	0	109.4	T235	T235-S264 WeakPolarHBondContact O-CA 3.27Å; T235-S264 VanDerWaalsContact OG1-CA 3.31Å; T235-S264 WeakPolarHBondContact OG1-CA 3.5Å; T235-S264 VanDerWaalsContact OG1-CB 3.25Å; T235-S264 WeakPolarHBondContact OG1-CB 3.46Å; T235-S264 PolarHBondContact OG1-OG 3.46Å
265	A	95.7	Very high	90.4	Very high	13 Å²	13	67.4 Å²	67.4	11%	0.107	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	153.1	179.9	0	0	0	0	0	111	T235 V236 A237 V279	T235-A265 PolarHBondContact O-N 3.37Å; V236-A265 VanDerWaalsContact CA-O 3.3Å; V236-A265 WeakPolarHBondContact CA-O 3.2Å; V236-A265 HydrophobicContact CG2-CB 4.41Å; A237-A265 PolarHBondContact N-O 3.48Å; A265-V279 HydrophobicContact CB-CG1 3.73Å; A265-V279 HydrophobicContact CB-CG2 4.38Å
266	K	94.9	Very high	90.5	Very high	106 Å²	106	59.1 Å²	59.1	46%	0.461	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	144	174.2	-65.2	-174	177.7	-171.3	0	110.1	A237 E244	A237-K266 CarbonylContact O-C 3.49Å; A237-K266 VanDerWaalsContact O-CA 3.28Å; A237-K266 WeakPolarHBondContact O-CA 3.34Å; E244-K266 VanDerWaalsContact CD-NZ 3.32Å; E244-K266 IonicContact OE1-NZ 2.76Å; E244-K266 PolarHBondContact OE1-NZ 3.5Å; E244-K266 IonicContact OE2-NZ 3.54Å
267	V	94.2	Very high	90.5	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	151.6	176.7	-67.4	0	0	0	0	110.8	V236 A237 S238 E239 M271 Y276 V279 T296 D300	V236-V267 HydrophobicContact CG1-CB 4.49Å; V236-V267 HydrophobicContact CG1-CG1 3.84Å; V236-V267 HydrophobicContact CG1-CG2 3.9Å; A237-V267 PolarHBondContact O-N 3.34Å; S238-V267 CarbonylContact C-O 3.57Å; S238-V267 VanDerWaalsContact CA-O 3.27Å; S238-V267 WeakPolarHBondContact CA-O 3.33Å; E239-V267 PolarHBondContact N-O 2.97Å; V267-M271 VanDerWaalsContact CA-SD 3.56Å; V267-M271 HydrophobicContact CB-SD 4.39Å; V267-Y276 HydrophobicContact CB-CE1 3.87Å; V267-Y276 HydrophobicContact CG1-CD1 4.14Å; V267-Y276 HydrophobicContact CG1-CE1 3.9Å; V267-V279 HydrophobicContact CG1-CG1 4.32Å; V267-V279 HydrophobicContact CG1-CG2 4.06Å; V267-T296 HydrophobicContact CG2-CG2 3.82Å; V267-D300 HydrophobicContact CG2-CB 3.92Å
268	S	87.9	Confident	90.6	Very high	11 Å²	11	57.5 Å²	57.5	8%	0.077	29%	0.292	C	S	.	.			trans	-148.5	145.2	-179.1	-167.6	0	0	0	0	109.7	E239 S270 M271 Y276	E239-S268 VanDerWaalsContact CD-CB 3.45Å; E239-S268 WeakPolarHBondContact OE2-CB 3.46Å; E239-S268 PolarHBondContact OE2-OG 3.25Å; S268-S270 PolarHBondContact O-N 3.13Å; S268-S270 PolarHBondContact OG-OG 3.02Å; S268-M271 PolarHBondContact N-SD 3.34Å; S268-M271 WeakPolarHBondContact O-CB 3.45Å; S268-M271 WeakPolarHBondContact O-CG 3.42Å; S268-M271 PolarHBondContact O-N 2.98Å; S268-Y276 PolarHBondContact O-OH 3.16Å; S268-Y276 VanDerWaalsContact O-OH 3.06Å
269	R	74.3	Confident	90.9	Very high	83 Å²	83	51.7 Å²	51.7	31%	0.313	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-27.3	-178.5	-174	173.3	170.5	-153.4	-13.1	112.9	K70 M271 D300	K70-R269 VanDerWaalsContact O-CZ 3.27Å; K70-R269 PolarHBondContact O-NH1 3.43Å; K70-R269 PolarHBondContact O-NH2 2.91Å; R269-M271 PolarHBondContact O-N 3.18Å; R269-D300 WeakPolarHBondContact CA-OD1 3.33Å; R269-D300 PolarHBondContact N-OD1 3.41Å
270	S	77.5	Confident	91	Very high	108 Å²	108	51.4 Å²	51.4	76%	0.755	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-5.8	175.9	51.2	0	0	0	0	113.8	S268	S268-S270 PolarHBondContact O-N 3.13Å; S268-S270 PolarHBondContact OG-OG 3.02Å
271	M	85.4	Confident	91.1	Very high	52 Å²	52	55 Å²	55	26%	0.256	28%	0.275	S	S	.	.	S	Bend	trans	-72.4	145.9	179.4	-70.4	173	67.1	0	0	112.1	V267 S268 R269 S275 Y276 V279	V267-M271 VanDerWaalsContact CA-SD 3.56Å; V267-M271 HydrophobicContact CB-SD 4.39Å; S268-M271 PolarHBondContact N-SD 3.34Å; S268-M271 WeakPolarHBondContact O-CB 3.45Å; S268-M271 WeakPolarHBondContact O-CG 3.42Å; S268-M271 PolarHBondContact O-N 2.98Å; R269-M271 PolarHBondContact O-N 3.18Å; M271-S275 VanDerWaalsContact CE-CB 3.43Å; M271-Y276 HydrophobicContact CB-CD2 4.3Å; M271-Y276 HydrophobicContact CB-CE2 3.93Å; M271-V279 HydrophobicContact CE-CG2 4.44Å
272	S	87	Confident	91.1	Very high	65 Å²	65	54.3 Å²	54.3	46%	0.455	28%	0.276	S	S	.	.			trans	-70.7	156.3	173.4	68.6	0	0	0	0	111.6	W274 S275 Y276	S272-W274 PolarHBondContact O-N 3.33Å; S272-S275 WeakPolarHBondContact O-CA 3.42Å; S272-S275 VanDerWaalsContact O-CB 3.3Å; S272-S275 WeakPolarHBondContact O-CB 3.23Å; S272-S275 PolarHBondContact O-N 3.39Å; S272-S275 PolarHBondContact OG-N 3.02Å; S272-S275 PolarHBondContact OG-OG 2.93Å; S272-Y276 PolarHBondContact O-N 3.39Å
273	R	87.5	Confident	91.3	Very high	171 Å²	171	53.4 Å²	53.4	65%	0.645	27%	0.268	S	S	*	.	H	α-helix	trans	-51.7	-41.8	175.6	-67.6	176.9	-179.7	174.6	4.8	112.9	S275 Y276 E277	R273-S275 PolarHBondContact O-N 2.86Å; R273-Y276 PolarHBondContact O-N 3.08Å; R273-E277 PolarHBondContact O-N 3.27Å
274	W	89.1	Confident	91.3	Very high	154 Å²	154	56.3 Å²	56.3	58%	0.583	28%	0.28	S	S	*	.	H	α-helix	trans	-63.3	-30.9	177.9	-174.9	76.5	0	0	0	112.8	S272 E277 N278	S272-W274 PolarHBondContact O-N 3.33Å; W274-E277 PolarHBondContact O-N 2.96Å; W274-N278 WeakPolarHBondContact CH2-ND2 3.39Å; W274-N278 WeakPolarHBondContact CZ2-OD1 3.42Å; W274-N278 WeakPolarHBondContact CZ3-ND2 3.43Å; W274-N278 VanDerWaalsContact O-CG 3.25Å; W274-N278 PolarHBondContact O-N 3.49Å; W274-N278 PolarHBondContact O-OD1 3.17Å
275	S	93.6	Very high	91.2	Very high	30 Å²	30	60.7 Å²	60.7	21%	0.21	29%	0.294	C	S	.	.	H	α-helix	trans	-71	-36.7	178	-52.5	0	0	0	0	111.7	M271 S272 R273 E277 N278 V279	M271-S275 VanDerWaalsContact CE-CB 3.43Å; S272-S275 WeakPolarHBondContact O-CA 3.42Å; S272-S275 VanDerWaalsContact O-CB 3.3Å; S272-S275 WeakPolarHBondContact O-CB 3.23Å; S272-S275 PolarHBondContact O-N 3.39Å; S272-S275 PolarHBondContact OG-N 3.02Å; S272-S275 PolarHBondContact OG-OG 2.93Å; R273-S275 PolarHBondContact O-N 2.86Å; S275-E277 VanDerWaalsContact C-N 3.35Å; S275-N278 WeakPolarHBondContact O-CB 3.47Å; S275-N278 PolarHBondContact O-N 3.13Å; S275-V279 PolarHBondContact O-N 3.49Å; S275-V279 VanDerWaalsContact O-N 3.15Å
276	Y	93.7	Very high	91	Very high	6 Å²	6	64.4 Å²	64.4	2%	0.024	31%	0.307	C	S	.	.	H	α-helix	trans	-62.3	-41.5	170.6	-80.5	-85.6	0	0	0	111.8	V267 S268 M271 S272 R273 N278 V279 I280 D300 E303 L304	V267-Y276 HydrophobicContact CB-CE1 3.87Å; V267-Y276 HydrophobicContact CG1-CD1 4.14Å; V267-Y276 HydrophobicContact CG1-CE1 3.9Å; S268-Y276 PolarHBondContact O-OH 3.16Å; S268-Y276 VanDerWaalsContact O-OH 3.06Å; M271-Y276 HydrophobicContact CB-CD2 4.3Å; M271-Y276 HydrophobicContact CB-CE2 3.93Å; S272-Y276 PolarHBondContact O-N 3.39Å; R273-Y276 PolarHBondContact O-N 3.08Å; Y276-N278 VanDerWaalsContact C-N 3.3Å; Y276-N278 PolarHBondContact O-N 3.47Å; Y276-V279 WeakPolarHBondContact O-CB 3.47Å; Y276-V279 PolarHBondContact O-N 3.21Å; Y276-V279 VanDerWaalsContact O-N 3.15Å; Y276-I280 PolarHBondContact O-N 3.31Å; Y276-I280 VanDerWaalsContact O-N 3.11Å; Y276-D300 PolarHBondContact OH-OD1 3.1Å; Y276-E303 HydrophobicContact CD1-CB 4.15Å; Y276-E303 HydrophobicContact CD2-CB 4.34Å; Y276-E303 HydrophobicContact CE1-CB 3.76Å; Y276-E303 HydrophobicContact CE2-CB 3.98Å; Y276-E303 HydrophobicContact CG-CB 4.42Å; Y276-L304 HydrophobicContact CD1-CB 4.27Å; Y276-L304 HydrophobicContact CD1-CD1 4.22Å; Y276-L304 HydrophobicContact CE1-CB 4.45Å
277	E	94.4	Very high	90.7	Very high	48 Å²	48	63.6 Å²	63.6	22%	0.224	32%	0.315	C	S	.	.	H	α-helix	trans	-64	-34.1	175	-66.8	170.7	-172.4	0	0	112.5	R273 W274 S275 V279 I280 R281 A307 M311	R273-E277 PolarHBondContact O-N 3.27Å; W274-E277 PolarHBondContact O-N 2.96Å; S275-E277 VanDerWaalsContact C-N 3.35Å; E277-V279 VanDerWaalsContact C-N 3.33Å; E277-I280 PolarHBondContact O-N 3.43Å; E277-R281 PolarHBondContact O-N 3.48Å; E277-R281 IonicContact OE2-NH2 3.12Å; E277-A307 HydrophobicContact CG-CB 4.39Å; E277-M311 HydrophobicContact CB-SD 3.92Å; E277-M311 HydrophobicContact CG-CG 4.48Å; E277-M311 HydrophobicContact CG-SD 4.18Å
278	N	94.9	Very high	90.6	Very high	45 Å²	45	67.5 Å²	67.5	24%	0.241	34%	0.336	C	S	.	.	H	α-helix	trans	-64.2	-38.9	173.2	-66.8	-15.8	0	0	0	112	W274 S275 Y276 R281 S282	W274-N278 WeakPolarHBondContact CH2-ND2 3.39Å; W274-N278 WeakPolarHBondContact CZ2-OD1 3.42Å; W274-N278 WeakPolarHBondContact CZ3-ND2 3.43Å; W274-N278 VanDerWaalsContact O-CG 3.25Å; W274-N278 PolarHBondContact O-N 3.49Å; W274-N278 PolarHBondContact O-OD1 3.17Å; S275-N278 WeakPolarHBondContact O-CB 3.47Å; S275-N278 PolarHBondContact O-N 3.13Å; Y276-N278 VanDerWaalsContact C-N 3.3Å; Y276-N278 PolarHBondContact O-N 3.47Å; N278-R281 PolarHBondContact O-N 2.93Å; N278-R281 VanDerWaalsContact OD1-CZ 3.23Å; N278-R281 PolarHBondContact OD1-NH1 3.4Å; N278-R281 PolarHBondContact OD1-NH2 3.42Å; N278-R281 VanDerWaalsContact OD1-NH2 3.1Å; N278-S282 WeakPolarHBondContact O-CB 3.41Å; N278-S282 PolarHBondContact O-N 3.45Å
279	V	96	Very high	90.9	Very high	13 Å²	13	67 Å²	67	8%	0.079	33%	0.333	C	S	.	.	H	α-helix	trans	-60.9	-47.5	174.8	172.4	0	0	0	0	109.6	V236 A265 V267 M271 S275 Y276 E277 R281 S282 L283 L304	V236-V279 HydrophobicContact CG1-CG1 4.47Å; V236-V279 HydrophobicContact CG2-CG1 4.36Å; A265-V279 HydrophobicContact CB-CG1 3.73Å; A265-V279 HydrophobicContact CB-CG2 4.38Å; V267-V279 HydrophobicContact CG1-CG1 4.32Å; V267-V279 HydrophobicContact CG1-CG2 4.06Å; M271-V279 HydrophobicContact CE-CG2 4.44Å; S275-V279 PolarHBondContact O-N 3.49Å; S275-V279 VanDerWaalsContact O-N 3.15Å; Y276-V279 WeakPolarHBondContact O-CB 3.47Å; Y276-V279 PolarHBondContact O-N 3.21Å; Y276-V279 VanDerWaalsContact O-N 3.15Å; E277-V279 VanDerWaalsContact C-N 3.33Å; V279-R281 VanDerWaalsContact C-N 3.35Å; V279-R281 PolarHBondContact O-N 2.9Å; V279-S282 WeakPolarHBondContact O-CB 3.06Å; V279-S282 PolarHBondContact O-N 2.92Å; V279-S282 VanDerWaalsContact O-N 3.14Å; V279-L283 HydrophobicContact CG1-CD1 4.42Å; V279-L283 WeakPolarHBondContact O-CG 3.49Å; V279-L283 PolarHBondContact O-N 3.32Å; V279-L304 HydrophobicContact CG1-CD1 4.03Å
280	I	96.1	Very high	91.8	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-58.7	-44.3	175.3	-60.4	-56.9	0	0	0	111.6	Y276 E277 S282 L283 Q284 L304 A307 A308 M311 V313 F315 W317	Y276-I280 PolarHBondContact O-N 3.31Å; Y276-I280 VanDerWaalsContact O-N 3.11Å; E277-I280 PolarHBondContact O-N 3.43Å; I280-S282 VanDerWaalsContact C-N 3.32Å; I280-S282 PolarHBondContact O-N 3.4Å; I280-L283 HydrophobicContact CD1-CD1 4.3Å; I280-L283 WeakPolarHBondContact O-CB 3.03Å; I280-L283 PolarHBondContact O-N 3.45Å; I280-Q284 WeakPolarHBondContact O-CG 3.36Å; I280-Q284 PolarHBondContact O-N 3.39Å; I280-L304 HydrophobicContact CD1-CD1 3.61Å; I280-L304 HydrophobicContact CD1-CG 4.12Å; I280-L304 HydrophobicContact CG1-CD1 4.28Å; I280-A307 HydrophobicContact CG1-CB 4.23Å; I280-A308 HydrophobicContact CD1-CB 3.94Å; I280-A308 HydrophobicContact CG1-CB 4.39Å; I280-M311 HydrophobicContact CB-CE 4.5Å; I280-M311 HydrophobicContact CB-SD 3.72Å; I280-M311 HydrophobicContact CG1-SD 4.5Å; I280-M311 HydrophobicContact CG2-CE 4.03Å; I280-M311 HydrophobicContact CG2-SD 3.61Å; I280-V313 HydrophobicContact CG2-CB 4.36Å; I280-V313 HydrophobicContact CG2-CG2 4.18Å; I280-F315 HydrophobicContact CG2-CE2 4.42Å; I280-W317 HydrophobicContact CD1-CH2 4.38Å
281	R	95.3	Very high	92.7	Very high	92 Å²	92	62.6 Å²	62.6	35%	0.347	30%	0.302	S	S	.	.	H	α-helix	trans	-60.7	-39.6	175.5	-78.8	-174.6	-110.9	109.5	8.6	112.7	E277 N278 V279 L283 Q284 Q285 M311	E277-R281 PolarHBondContact O-N 3.48Å; E277-R281 IonicContact OE2-NH2 3.12Å; N278-R281 PolarHBondContact O-N 2.93Å; N278-R281 VanDerWaalsContact OD1-CZ 3.23Å; N278-R281 PolarHBondContact OD1-NH1 3.4Å; N278-R281 PolarHBondContact OD1-NH2 3.42Å; N278-R281 VanDerWaalsContact OD1-NH2 3.1Å; V279-R281 VanDerWaalsContact C-N 3.35Å; V279-R281 PolarHBondContact O-N 2.9Å; R281-L283 VanDerWaalsContact C-N 3.33Å; R281-Q284 PolarHBondContact O-N 3.11Å; R281-Q285 WeakPolarHBondContact O-CG 3.25Å; R281-Q285 PolarHBondContact O-N 3.19Å; R281-Q285 VanDerWaalsContact O-N 3.14Å; R281-M311 HydrophobicContact CG-CE 3.44Å; R281-M311 VanDerWaalsContact CG-CE 3.44Å; R281-M311 HydrophobicContact CG-SD 4.5Å
282	S	95.1	Very high	93.3	Very high	38 Å²	38	60.1 Å²	60.1	27%	0.266	29%	0.29	S	S	.	.	H	α-helix	trans	-63.9	-38	176.2	178.3	0	0	0	0	112.2	T263 N278 V279 I280 Q285	T263-S282 WeakPolarHBondContact CG2-OG 3.47Å; N278-S282 WeakPolarHBondContact O-CB 3.41Å; N278-S282 PolarHBondContact O-N 3.45Å; V279-S282 WeakPolarHBondContact O-CB 3.06Å; V279-S282 PolarHBondContact O-N 2.92Å; V279-S282 VanDerWaalsContact O-N 3.14Å; I280-S282 VanDerWaalsContact C-N 3.32Å; I280-S282 PolarHBondContact O-N 3.4Å; S282-Q285 PolarHBondContact O-N 3.13Å
283	L	95.3	Very high	93.8	Very high	0 Å²	0	57 Å²	57	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-65.6	-42.5	173.6	-61.8	173.5	0	0	0	111.3	S234 V236 V279 I280 R281 Q285 K286 V292 F315	S234-L283 VanDerWaalsContact CB-CD2 3.44Å; V236-L283 HydrophobicContact CG2-CD1 4.06Å; V236-L283 HydrophobicContact CG2-CD2 4.23Å; V279-L283 HydrophobicContact CG1-CD1 4.42Å; V279-L283 WeakPolarHBondContact O-CG 3.49Å; V279-L283 PolarHBondContact O-N 3.32Å; I280-L283 HydrophobicContact CD1-CD1 4.3Å; I280-L283 WeakPolarHBondContact O-CB 3.03Å; I280-L283 PolarHBondContact O-N 3.45Å; R281-L283 VanDerWaalsContact C-N 3.33Å; L283-Q285 VanDerWaalsContact C-N 3.28Å; L283-Q285 PolarHBondContact O-N 3.02Å; L283-K286 PolarHBondContact O-N 3.47Å; L283-V292 HydrophobicContact CD1-CG1 4.12Å; L283-V292 HydrophobicContact CD1-CG2 4.35Å; L283-V292 HydrophobicContact CD2-CG1 4.43Å; L283-F315 HydrophobicContact CB-CE1 4.28Å; L283-F315 HydrophobicContact CB-CE2 4.41Å; L283-F315 HydrophobicContact CB-CZ 3.8Å; L283-F315 HydrophobicContact CD1-CE2 4.49Å
284	Q	94.4	Very high	94.3	Very high	83 Å²	83	48.9 Å²	48.9	39%	0.388	24%	0.237	S	C	.	.	H	α-helix	trans	-65.4	-26.1	179.2	-71.6	-175.3	-61.2	0	0	114.4	I280 R281 K286 V313 F315	I280-Q284 WeakPolarHBondContact O-CG 3.36Å; I280-Q284 PolarHBondContact O-N 3.39Å; R281-Q284 PolarHBondContact O-N 3.11Å; Q284-K286 PolarHBondContact O-N 3.26Å; Q284-K286 VanDerWaalsContact O-N 3.11Å; Q284-V313 HydrophobicContact CG-CG1 4.02Å; Q284-F315 HydrophobicContact CG-CZ 3.99Å
285	Q	93.3	Very high	94.6	Very high	157 Å²	157	41.5 Å²	41.5	73%	0.734	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-23	175.6	-75	176.8	-6.8	0	0	112.6	R281 S282 L283	R281-Q285 WeakPolarHBondContact O-CG 3.25Å; R281-Q285 PolarHBondContact O-N 3.19Å; R281-Q285 VanDerWaalsContact O-N 3.14Å; S282-Q285 PolarHBondContact O-N 3.13Å; L283-Q285 VanDerWaalsContact C-N 3.28Å; L283-Q285 PolarHBondContact O-N 3.02Å
286	K	90.5	Very high	94.7	Very high	90 Å²	90	40.1 Å²	40.1	39%	0.391	20%	0.2	S	C	.	.			trans	-110.3	70.7	177.5	-60.7	-63.1	-171.1	169.1	0	110.1	A262 T263 L283 Q284 N288 A289	A262-K286 HydrophobicContact CB-CB 4.06Å; A262-K286 HydrophobicContact CB-CG 4.09Å; T263-K286 WeakPolarHBondContact OG1-CG 3.13Å; L283-K286 PolarHBondContact O-N 3.47Å; Q284-K286 PolarHBondContact O-N 3.26Å; Q284-K286 VanDerWaalsContact O-N 3.11Å; K286-N288 PolarHBondContact O-N 3.23Å; K286-A289 HydrophobicContact CB-CB 4.32Å; K286-A289 PolarHBondContact O-N 3.1Å
287	S	89.4	Confident	94.5	Very high	89 Å²	89	41.9 Å²	41.9	62%	0.622	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-26.6	-176.8	57.8	0	0	0	0	115.3	A289	S287-A289 VanDerWaalsContact C-N 3.33Å
288	N	91.4	Very high	94.2	Very high	83 Å²	83	40.1 Å²	40.1	44%	0.444	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-18.1	179.3	-66.6	-0.8	0	0	0	113	Y232 K286 K290 Q521 C522	Y232-N288 HydrophobicContact CD1-CB 4.19Å; Y232-N288 HydrophobicContact CE1-CB 4.24Å; K286-N288 PolarHBondContact O-N 3.23Å; N288-K290 PolarHBondContact O-N 3.24Å; N288-Q521 WeakPolarHBondContact CB-O 3.45Å; N288-C522 PolarHBondContact ND2-O 3.25Å
289	A	94.1	Very high	93.9	Very high	1 Å²	1	40 Å²	40	1%	0.008	20%	0.197	C	C	.	.			trans	-92.4	81.3	174.3	0	0	0	0	0	110	Y232 A262 K286 S287	Y232-A289 HydrophobicContact CD1-CB 3.73Å; Y232-A289 HydrophobicContact CE1-CB 3.86Å; A262-A289 HydrophobicContact CB-CB 3.63Å; K286-A289 HydrophobicContact CB-CB 4.32Å; K286-A289 PolarHBondContact O-N 3.1Å; S287-A289 VanDerWaalsContact C-N 3.33Å
290	K	93.5	Very high	93.7	Very high	97 Å²	97	39.3 Å²	39.3	42%	0.422	19%	0.193	S	C	.	.			trans	-78.4	-22.2	-178.1	-61.8	-174.3	-174.2	168.1	0	113.4	N288 T316 T519 S520	N288-K290 PolarHBondContact O-N 3.24Å; K290-T316 PolarHBondContact O-N 3.25Å; K290-T519 WeakPolarHBondContact CD-O 3.19Å; K290-S520 PolarHBondContact N-OG 2.88Å
291	V	96.8	Very high	93.6	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	130.3	-179.5	179.3	0	0	0	0	110.1	L225 W230 V233 S234 I293 T316 V318 S520	L225-V291 HydrophobicContact CD2-CG1 3.87Å; W230-V291 HydrophobicContact CB-CG2 4.47Å; W230-V291 HydrophobicContact CD2-CG2 3.61Å; W230-V291 HydrophobicContact CE3-CG1 4.12Å; W230-V291 HydrophobicContact CE3-CG2 3.85Å; W230-V291 HydrophobicContact CG-CG2 3.91Å; W230-V291 HydrophobicContact CZ2-CG2 4.34Å; W230-V291 HydrophobicContact CZ3-CG1 4.42Å; W230-V291 HydrophobicContact CZ3-CG2 4.3Å; V233-V291 WeakPolarHBondContact CA-O 3.23Å; V233-V291 HydrophobicContact CG1-CB 3.95Å; V233-V291 HydrophobicContact CG1-CG1 4.07Å; S234-V291 PolarHBondContact N-O 2.84Å; V291-I293 HydrophobicContact CG1-CD1 4.4Å; V291-T316 VanDerWaalsContact CA-O 3.32Å; V291-T316 WeakPolarHBondContact CA-O 3.41Å; V291-T316 HydrophobicContact CG2-CG2 4.32Å; V291-V318 HydrophobicContact CG1-CG2 3.78Å; V291-S520 PolarHBondContact N-OG 3.49Å
292	V	97.6	Very high	93.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	120.6	-179.5	-174.4	0	0	0	0	110.3	S234 V236 L283 L294 F315 T316 W317 V318	S234-V292 WeakPolarHBondContact O-CA 3.36Å; V236-V292 HydrophobicContact CG2-CG1 3.89Å; L283-V292 HydrophobicContact CD1-CG1 4.12Å; L283-V292 HydrophobicContact CD1-CG2 4.35Å; L283-V292 HydrophobicContact CD2-CG1 4.43Å; V292-L294 HydrophobicContact CG1-CD2 3.9Å; V292-F315 HydrophobicContact CG2-CB 3.84Å; V292-F315 HydrophobicContact CG2-CD1 3.73Å; V292-F315 HydrophobicContact CG2-CD2 4.36Å; V292-F315 HydrophobicContact CG2-CE1 4.35Å; V292-F315 HydrophobicContact CG2-CG 3.73Å; V292-T316 PolarHBondContact N-O 3.08Å; V292-W317 HydrophobicContact CB-CE3 3.88Å; V292-W317 HydrophobicContact CB-CZ3 3.98Å; V292-W317 HydrophobicContact CG1-CE3 4.12Å; V292-W317 HydrophobicContact CG1-CZ3 3.91Å; V292-W317 HydrophobicContact CG2-CZ3 4.42Å; V292-V318 PolarHBondContact O-N 3.33Å
293	I	98.1	Very high	93.4	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	125.1	-179.8	-57.4	-61.4	0	0	0	109.8	M221 L225 V233 S234 T235 V236 I247 F250 V291 F295 V318	M221-I293 HydrophobicContact CE-CG2 3.69Å; L225-I293 HydrophobicContact CD1-CD1 3.93Å; L225-I293 HydrophobicContact CD1-CG1 4.44Å; L225-I293 HydrophobicContact CD2-CD1 3.82Å; L225-I293 HydrophobicContact CG-CD1 4.21Å; V233-I293 HydrophobicContact CB-CG1 4.36Å; V233-I293 HydrophobicContact CG2-CG1 4.1Å; S234-I293 PolarHBondContact O-N 2.79Å; T235-I293 CarbonylContact C-O 3.52Å; T235-I293 WeakPolarHBondContact CA-O 3.46Å; T235-I293 HydrophobicContact CG2-CB 4.09Å; T235-I293 HydrophobicContact CG2-CG1 4.49Å; V236-I293 PolarHBondContact N-O 3.49Å; I247-I293 HydrophobicContact CD1-CG2 3.95Å; F250-I293 HydrophobicContact CD1-CG2 4.02Å; F250-I293 HydrophobicContact CD2-CG2 4.26Å; F250-I293 HydrophobicContact CE1-CB 4.27Å; F250-I293 HydrophobicContact CE1-CG1 3.85Å; F250-I293 HydrophobicContact CE1-CG2 3.97Å; F250-I293 HydrophobicContact CE2-CD1 4.21Å; F250-I293 HydrophobicContact CE2-CG1 4.25Å; F250-I293 HydrophobicContact CE2-CG2 4.2Å; F250-I293 HydrophobicContact CG-CG2 4.18Å; F250-I293 HydrophobicContact CZ-CB 4.36Å; F250-I293 HydrophobicContact CZ-CD1 3.95Å; F250-I293 HydrophobicContact CZ-CG1 3.59Å; F250-I293 HydrophobicContact CZ-CG2 4.07Å; V291-I293 HydrophobicContact CG1-CD1 4.4Å; I293-F295 HydrophobicContact CG2-CD2 4.27Å; I293-V318 CarbonylContact C-O 3.52Å; I293-V318 WeakPolarHBondContact CA-O 3.49Å; I293-V318 HydrophobicContact CD1-CB 3.65Å; I293-V318 HydrophobicContact CD1-CG1 4.01Å; I293-V318 HydrophobicContact CD1-CG2 4.23Å
294	L	97.6	Very high	93.4	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	107.6	-177.7	-56.3	-176	0	0	0	112.1	V236 V292 L304 W317 V318 A319 S320 W323	V236-L294 HydrophobicContact CB-CD2 3.7Å; V236-L294 HydrophobicContact CG2-CD2 4.06Å; V292-L294 HydrophobicContact CG1-CD2 3.9Å; L294-L304 HydrophobicContact CD1-CD2 4.48Å; L294-L304 HydrophobicContact CD2-CD2 3.69Å; L294-W317 HydrophobicContact CD1-CD2 4.38Å; L294-W317 HydrophobicContact CD1-CE3 3.69Å; L294-W317 HydrophobicContact CD1-CZ3 4.28Å; L294-W317 HydrophobicContact CD2-CE3 4.09Å; L294-W317 HydrophobicContact CD2-CZ3 4.15Å; L294-W317 HydrophobicContact CG-CE3 4.05Å; L294-V318 PolarHBondContact N-O 3.43Å; L294-A319 HydrophobicContact CB-CB 3.97Å; L294-A319 HydrophobicContact CD1-CB 4.35Å; L294-S320 PolarHBondContact O-N 3.36Å; L294-S320 PolarHBondContact O-OG 3.44Å; L294-W323 HydrophobicContact CD1-CE3 3.84Å; L294-W323 HydrophobicContact CD1-CZ3 3.7Å
295	F	96.3	Very high	93.5	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	65.9	164.3	-95.1	-84.5	0	0	0	109.5	D214 Q217 A218 M221 V236 A237 S238 G243 I247 F250 I293	D214-F295 HydrophobicContact CB-CE1 4.42Å; Q217-F295 HydrophobicContact CB-CZ 4.5Å; Q217-F295 HydrophobicContact CG-CE1 4.37Å; Q217-F295 HydrophobicContact CG-CZ 4.17Å; A218-F295 HydrophobicContact CB-CZ 4.15Å; M221-F295 HydrophobicContact CE-CD2 4.41Å; M221-F295 HydrophobicContact CE-CE2 4.14Å; M221-F295 HydrophobicContact SD-CD2 4.03Å; M221-F295 HydrophobicContact SD-CE2 3.24Å; M221-F295 WeakPolarHBondContact SD-CE2 3.19Å; M221-F295 HydrophobicContact SD-CZ 3.59Å; M221-F295 VanDerWaalsContact SD-CZ 3.59Å; V236-F295 PolarHBondContact O-N 2.9Å; A237-F295 WeakPolarHBondContact CA-O 3.34Å; S238-F295 PolarHBondContact N-O 3.02Å; G243-F295 VanDerWaalsContact CA-O 3.27Å; G243-F295 WeakPolarHBondContact CA-O 3.49Å; I247-F295 HydrophobicContact CB-CB 4.25Å; I247-F295 HydrophobicContact CD1-CB 4.28Å; I247-F295 HydrophobicContact CD1-CD2 3.81Å; I247-F295 HydrophobicContact CD1-CG 4.46Å; F250-F295 HydrophobicContact CB-CD2 4.38Å; F250-F295 HydrophobicContact CB-CE2 3.85Å; F250-F295 HydrophobicContact CG-CE2 4.41Å; I293-F295 HydrophobicContact CG2-CD2 4.27Å
296	T	94.3	Very high	93.6	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.006	16%	0.155	C	C	.	.			trans	-121.6	154.2	-173.5	55.2	0	0	0	0	111.7	V236 S238 V267 A301	V236-T296 HydrophobicContact CG1-CG2 4.23Å; S238-T296 WeakPolarHBondContact OG-CA 3.5Å; S238-T296 WeakPolarHBondContact OG-CB 3.39Å; V267-T296 HydrophobicContact CG2-CG2 3.82Å; T296-A301 WeakPolarHBondContact OG1-CB 3.34Å
297	R	90.3	Very high	93.8	Very high	43 Å²	43	27.7 Å²	27.7	16%	0.162	14%	0.137	C	C	.	.			trans	-68.5	158.8	165.7	-60.7	176.2	-69.6	-138.4	-8.7	109.5	Y170 D172 S238 E239 Y242 E299 D300 A301	Y170-R297 HydrophobicContact CE1-CG 4.45Å; D172-R297 IonicContact OD2-NH1 3.64Å; S238-R297 PolarHBondContact OG-N 3Å; E239-R297 PolarHBondContact O-NH1 2.99Å; E239-R297 PolarHBondContact O-NH2 3.5Å; Y242-R297 HydrophobicContact CD1-CG 4.37Å; R297-E299 VanDerWaalsContact CB-OE2 3.28Å; R297-E299 WeakPolarHBondContact CB-OE2 3.48Å; R297-E299 PolarHBondContact O-N 3.15Å; R297-D300 IonicContact CZ-OD2 2.85Å; R297-D300 IonicContact NE-OD2 2.66Å; R297-D300 PolarHBondContact NE-OD2 2.79Å; R297-D300 IonicContact NH2-OD1 3.56Å; R297-D300 IonicContact NH2-OD2 2.67Å; R297-D300 PolarHBondContact NH2-OD2 2.04Å; R297-D300 PolarHBondContact O-N 3.39Å; R297-A301 WeakPolarHBondContact O-CB 3.4Å; R297-A301 PolarHBondContact O-N 3.29Å
298	S	88.6	Confident	94.1	Very high	10 Å²	10	23.4 Å²	23.4	7%	0.07	11%	0.107	C	C	.	.	H	α-helix	trans	-54.5	-39.1	178.2	35.4	0	0	0	0	113.8	R84 R302 G322	R84-S298 PolarHBondContact NH1-OG 3.01Å; R84-S298 PolarHBondContact NH2-OG 3.42Å; S298-R302 WeakPolarHBondContact O-CB 3.33Å; S298-R302 PolarHBondContact O-N 2.93Å; S298-G322 WeakPolarHBondContact CA-O 3.39Å; S298-G322 WeakPolarHBondContact CB-O 3.48Å; S298-G322 PolarHBondContact N-O 3.48Å
299	E	87.1	Confident	94.3	Very high	42 Å²	42	22.6 Å²	22.6	20%	0.196	10%	0.103	C	C	.	.	H	α-helix	trans	-69.5	-43.9	-176.9	-51.2	76	-151.4	0	0	110.4	R84 Y170 R297 R302 E303	R84-E299 IonicContact NH1-OE1 3.34Å; Y170-E299 PolarHBondContact OH-OE1 3.41Å; R297-E299 VanDerWaalsContact CB-OE2 3.28Å; R297-E299 WeakPolarHBondContact CB-OE2 3.48Å; R297-E299 PolarHBondContact O-N 3.15Å; E299-R302 PolarHBondContact O-N 3.29Å; E299-E303 PolarHBondContact O-N 2.96Å; E299-E303 VanDerWaalsContact O-N 3.16Å
300	D	92.1	Very high	94.3	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-69.8	-37.9	179.3	-59	-38.1	0	0	0	111.3	S238 V267 R269 Y276 R297 L304	S238-D300 VanDerWaalsContact CB-OD2 3.29Å; S238-D300 WeakPolarHBondContact CB-OD2 3.3Å; S238-D300 WeakPolarHBondContact OG-CB 3.15Å; S238-D300 PolarHBondContact OG-OD2 3.28Å; V267-D300 HydrophobicContact CG2-CB 3.92Å; R269-D300 WeakPolarHBondContact CA-OD1 3.33Å; R269-D300 PolarHBondContact N-OD1 3.41Å; Y276-D300 PolarHBondContact OH-OD1 3.1Å; R297-D300 IonicContact CZ-OD2 2.85Å; R297-D300 IonicContact NE-OD2 2.66Å; R297-D300 PolarHBondContact NE-OD2 2.79Å; R297-D300 IonicContact NH2-OD1 3.56Å; R297-D300 IonicContact NH2-OD2 2.67Å; R297-D300 PolarHBondContact NH2-OD2 2.04Å; R297-D300 PolarHBondContact O-N 3.39Å; D300-L304 WeakPolarHBondContact O-CB 3.43Å; D300-L304 PolarHBondContact O-N 3.3Å
301	A	94.6	Very high	94.4	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-60.3	-44.6	173.6	0	0	0	0	0	111.7	T296 R297 L304 L305 W323 V329	T296-A301 WeakPolarHBondContact OG1-CB 3.34Å; R297-A301 WeakPolarHBondContact O-CB 3.4Å; R297-A301 PolarHBondContact O-N 3.29Å; A301-L304 PolarHBondContact O-N 3.2Å; A301-L305 WeakPolarHBondContact O-CG 3.37Å; A301-L305 PolarHBondContact O-N 3.18Å; A301-W323 HydrophobicContact CB-CE3 4.35Å; A301-V329 HydrophobicContact CB-CG1 3.92Å
302	R	93.5	Very high	94.2	Very high	116 Å²	116	33 Å²	33	44%	0.438	15%	0.153	S	C	.	.	H	α-helix	trans	-61.9	-48.9	178.5	179.7	177.6	177.6	-144	-2.8	111.9	S298 E299 L304 L305 V306 V329	S298-R302 WeakPolarHBondContact O-CB 3.33Å; S298-R302 PolarHBondContact O-N 2.93Å; E299-R302 PolarHBondContact O-N 3.29Å; R302-L304 VanDerWaalsContact C-N 3.26Å; R302-L304 PolarHBondContact O-N 3.37Å; R302-L305 PolarHBondContact O-N 2.84Å; R302-V306 WeakPolarHBondContact O-CG2 3.44Å; R302-V306 PolarHBondContact O-N 3.3Å; R302-V329 HydrophobicContact CB-CG1 4.48Å
303	E	93.3	Very high	94	Very high	67 Å²	67	33.7 Å²	33.7	31%	0.313	16%	0.157	S	C	.	.	H	α-helix	trans	-63.8	-34.1	179.1	-69.6	-58	135.5	0	0	112	Y276 E299 V306 A307	Y276-E303 HydrophobicContact CD1-CB 4.15Å; Y276-E303 HydrophobicContact CD2-CB 4.34Å; Y276-E303 HydrophobicContact CE1-CB 3.76Å; Y276-E303 HydrophobicContact CE2-CB 3.98Å; Y276-E303 HydrophobicContact CG-CB 4.42Å; E299-E303 PolarHBondContact O-N 2.96Å; E299-E303 VanDerWaalsContact O-N 3.16Å; E303-V306 PolarHBondContact O-N 3.41Å; E303-A307 WeakPolarHBondContact O-CB 3.25Å; E303-A307 PolarHBondContact O-N 2.8Å
304	L	95.4	Very high	93.6	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-64.9	-44.7	173.8	-171	69.3	0	0	0	112.2	V236 Y276 V279 I280 L294 D300 A301 R302 A307 A308 W317	V236-L304 HydrophobicContact CB-CD2 4.44Å; V236-L304 HydrophobicContact CG1-CD2 4.14Å; V236-L304 HydrophobicContact CG2-CD2 4.41Å; Y276-L304 HydrophobicContact CD1-CB 4.27Å; Y276-L304 HydrophobicContact CD1-CD1 4.22Å; Y276-L304 HydrophobicContact CE1-CB 4.45Å; V279-L304 HydrophobicContact CG1-CD1 4.03Å; I280-L304 HydrophobicContact CD1-CD1 3.61Å; I280-L304 HydrophobicContact CD1-CG 4.12Å; I280-L304 HydrophobicContact CG1-CD1 4.28Å; L294-L304 HydrophobicContact CD1-CD2 4.48Å; L294-L304 HydrophobicContact CD2-CD2 3.69Å; D300-L304 WeakPolarHBondContact O-CB 3.43Å; D300-L304 PolarHBondContact O-N 3.3Å; A301-L304 PolarHBondContact O-N 3.2Å; R302-L304 VanDerWaalsContact C-N 3.26Å; R302-L304 PolarHBondContact O-N 3.37Å; L304-A307 PolarHBondContact O-N 2.65Å; L304-A308 PolarHBondContact O-N 3.39Å; L304-W317 HydrophobicContact CD2-CZ3 4.13Å
305	L	96.1	Very high	93.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-64	-41.1	176.1	-69.3	173.2	0	0	0	112.1	A301 R302 A307 A308 N309 W317 W323 V329 V330 V336	A301-L305 WeakPolarHBondContact O-CG 3.37Å; A301-L305 PolarHBondContact O-N 3.18Å; R302-L305 PolarHBondContact O-N 2.84Å; L305-A307 VanDerWaalsContact C-N 3.32Å; L305-A307 PolarHBondContact O-N 3.37Å; L305-A308 PolarHBondContact O-N 2.86Å; L305-N309 WeakPolarHBondContact O-CB 3.3Å; L305-N309 PolarHBondContact O-N 2.87Å; L305-W317 HydrophobicContact CD2-CD2 4.37Å; L305-W317 HydrophobicContact CD2-CZ2 4.09Å; L305-W323 HydrophobicContact CD1-CE3 4.4Å; L305-W323 HydrophobicContact CD1-CH2 3.46Å; L305-W323 VanDerWaalsContact CD1-CH2 3.46Å; L305-W323 HydrophobicContact CD1-CZ2 3.76Å; L305-W323 HydrophobicContact CD1-CZ3 3.78Å; L305-W323 HydrophobicContact CD2-CH2 3.62Å; L305-W323 HydrophobicContact CD2-CZ3 3.86Å; L305-W323 HydrophobicContact CG-CH2 4.03Å; L305-W323 HydrophobicContact CG-CZ3 4.09Å; L305-V329 HydrophobicContact CD1-CG1 4.09Å; L305-V330 HydrophobicContact CD1-CG1 4.2Å; L305-V336 HydrophobicContact CD2-CG1 4.34Å
306	V	95.3	Very high	93.3	Very high	29 Å²	29	40.6 Å²	40.6	18%	0.176	20%	0.197	C	C	.	.	H	α-helix	trans	-62.5	-41.1	175.6	170.2	0	0	0	0	110.9	R302 E303 N309 R310	R302-V306 WeakPolarHBondContact O-CG2 3.44Å; R302-V306 PolarHBondContact O-N 3.3Å; E303-V306 PolarHBondContact O-N 3.41Å; V306-N309 PolarHBondContact O-N 3.4Å; V306-R310 WeakPolarHBondContact O-CG 3.37Å; V306-R310 PolarHBondContact O-N 3Å
307	A	95.1	Very high	93.4	Very high	2 Å²	2	40.5 Å²	40.5	2%	0.017	20%	0.197	C	C	.	.	H	α-helix	trans	-64.2	-43.6	175	0	0	0	0	0	111.9	E277 I280 E303 L304 L305 N309 R310 M311	E277-A307 HydrophobicContact CG-CB 4.39Å; I280-A307 HydrophobicContact CG1-CB 4.23Å; E303-A307 WeakPolarHBondContact O-CB 3.25Å; E303-A307 PolarHBondContact O-N 2.8Å; L304-A307 PolarHBondContact O-N 2.65Å; L305-A307 VanDerWaalsContact C-N 3.32Å; L305-A307 PolarHBondContact O-N 3.37Å; A307-N309 VanDerWaalsContact C-N 3.33Å; A307-N309 PolarHBondContact O-N 3.1Å; A307-R310 PolarHBondContact O-N 2.87Å; A307-M311 WeakPolarHBondContact O-CG 3.3Å; A307-M311 PolarHBondContact O-N 3.31Å; A307-M311 VanDerWaalsContact O-N 3.1Å
308	A	95.8	Very high	93.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-62.2	-39.4	175.4	0	0	0	0	0	112.3	I280 L304 L305 M311 N312 V313 W317 V336	I280-A308 HydrophobicContact CD1-CB 3.94Å; I280-A308 HydrophobicContact CG1-CB 4.39Å; L304-A308 PolarHBondContact O-N 3.39Å; L305-A308 PolarHBondContact O-N 2.86Å; A308-M311 CarbonylContact O-C 3.54Å; A308-M311 PolarHBondContact O-N 3.21Å; A308-N312 PolarHBondContact O-N 3.11Å; A308-V313 PolarHBondContact O-N 3.29Å; A308-W317 HydrophobicContact CB-CH2 4.41Å; A308-W317 HydrophobicContact CB-CZ2 4.12Å; A308-V336 HydrophobicContact CB-CG1 3.71Å
309	N	95.8	Very high	94.2	Very high	65 Å²	65	38 Å²	38	35%	0.348	19%	0.186	S	C	.	.	H	α-helix	trans	-64.8	-43.3	175.4	-169.6	33.4	0	0	0	112.6	L305 V306 A307 M311 N312 G332 V336	L305-N309 WeakPolarHBondContact O-CB 3.3Å; L305-N309 PolarHBondContact O-N 2.87Å; V306-N309 PolarHBondContact O-N 3.4Å; A307-N309 VanDerWaalsContact C-N 3.33Å; A307-N309 PolarHBondContact O-N 3.1Å; N309-M311 PolarHBondContact O-N 3.33Å; N309-N312 PolarHBondContact O-N 2.75Å; N309-G332 PolarHBondContact ND2-O 2.99Å; N309-V336 HydrophobicContact CB-CG2 3.85Å
310	R	94.2	Very high	94.6	Very high	122 Å²	122	36 Å²	36	46%	0.46	18%	0.177	S	C	.	.	H	α-helix	trans	-61.3	-34.6	174.5	-72.7	175.6	-172.2	156.2	10.7	112.9	V306 A307 N312	V306-R310 WeakPolarHBondContact O-CG 3.37Å; V306-R310 PolarHBondContact O-N 3Å; A307-R310 PolarHBondContact O-N 2.87Å; R310-N312 VanDerWaalsContact C-N 3.31Å
311	M	94.4	Very high	94.6	Very high	54 Å²	54	36.2 Å²	36.2	27%	0.266	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-4.1	177.8	-68.8	-174	67	0	0	113.5	E277 I280 R281 A307 A308 N309 V313	E277-M311 HydrophobicContact CB-SD 3.92Å; E277-M311 HydrophobicContact CG-CG 4.48Å; E277-M311 HydrophobicContact CG-SD 4.18Å; I280-M311 HydrophobicContact CB-CE 4.5Å; I280-M311 HydrophobicContact CB-SD 3.72Å; I280-M311 HydrophobicContact CG1-SD 4.5Å; I280-M311 HydrophobicContact CG2-CE 4.03Å; I280-M311 HydrophobicContact CG2-SD 3.61Å; R281-M311 HydrophobicContact CG-CE 3.44Å; R281-M311 VanDerWaalsContact CG-CE 3.44Å; R281-M311 HydrophobicContact CG-SD 4.5Å; A307-M311 WeakPolarHBondContact O-CG 3.3Å; A307-M311 PolarHBondContact O-N 3.31Å; A307-M311 VanDerWaalsContact O-N 3.1Å; A308-M311 CarbonylContact O-C 3.54Å; A308-M311 PolarHBondContact O-N 3.21Å; N309-M311 PolarHBondContact O-N 3.33Å; M311-V313 VanDerWaalsContact C-N 3.35Å; M311-V313 HydrophobicContact CB-CG2 3.74Å; M311-V313 WeakPolarHBondContact O-CG2 3.41Å; M311-V313 PolarHBondContact O-N 3.45Å
312	N	93.8	Very high	94.4	Very high	142 Å²	142	36.6 Å²	36.6	76%	0.759	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.9	47.9	-175.8	-163.2	33.2	0	0	0	113.1	A308 N309 R310	A308-N312 PolarHBondContact O-N 3.11Å; N309-N312 PolarHBondContact O-N 2.75Å; R310-N312 VanDerWaalsContact C-N 3.31Å
313	V	91.7	Very high	94.3	Very high	13 Å²	13	31.1 Å²	31.1	8%	0.079	16%	0.161	C	C	.	.			trans	-117.1	135	-178.6	-171.1	0	0	0	0	109.7	I280 Q284 A308 M311 F315 V336	I280-V313 HydrophobicContact CG2-CB 4.36Å; I280-V313 HydrophobicContact CG2-CG2 4.18Å; Q284-V313 HydrophobicContact CG-CG1 4.02Å; A308-V313 PolarHBondContact O-N 3.29Å; M311-V313 VanDerWaalsContact C-N 3.35Å; M311-V313 HydrophobicContact CB-CG2 3.74Å; M311-V313 WeakPolarHBondContact O-CG2 3.41Å; M311-V313 PolarHBondContact O-N 3.45Å; V313-F315 HydrophobicContact CB-CE2 4.36Å; V313-F315 HydrophobicContact CG1-CD2 4.08Å; V313-F315 HydrophobicContact CG1-CE1 4.45Å; V313-F315 HydrophobicContact CG1-CE2 3.43Å; V313-F315 VanDerWaalsContact CG1-CE2 3.43Å; V313-F315 HydrophobicContact CG1-CZ 3.66Å; V313-V336 WeakPolarHBondContact O-CG1 3.46Å
314	T	90.2	Very high	94.2	Very high	99 Å²	99	27.9 Å²	27.9	61%	0.607	15%	0.146	S	C	*	.			trans	-116.9	140.6	175.7	57.2	0	0	0	0	110.6
315	F	93.6	Very high	93.9	Very high	24 Å²	24	29.3 Å²	29.3	11%	0.105	16%	0.158	C	C	.	.			trans	-133	160.2	174.2	-65.3	-78.5	0	0	0	108.5	I280 L283 Q284 V292 V313 W317	I280-F315 HydrophobicContact CG2-CE2 4.42Å; L283-F315 HydrophobicContact CB-CE1 4.28Å; L283-F315 HydrophobicContact CB-CE2 4.41Å; L283-F315 HydrophobicContact CB-CZ 3.8Å; L283-F315 HydrophobicContact CD1-CE2 4.49Å; Q284-F315 HydrophobicContact CG-CZ 3.99Å; V292-F315 HydrophobicContact CG2-CB 3.84Å; V292-F315 HydrophobicContact CG2-CD1 3.73Å; V292-F315 HydrophobicContact CG2-CD2 4.36Å; V292-F315 HydrophobicContact CG2-CE1 4.35Å; V292-F315 HydrophobicContact CG2-CG 3.73Å; V313-F315 HydrophobicContact CB-CE2 4.36Å; V313-F315 HydrophobicContact CG1-CD2 4.08Å; V313-F315 HydrophobicContact CG1-CE1 4.45Å; V313-F315 HydrophobicContact CG1-CE2 3.43Å; V313-F315 VanDerWaalsContact CG1-CE2 3.43Å; V313-F315 HydrophobicContact CG1-CZ 3.66Å; F315-W317 HydrophobicContact CB-CD2 4.26Å; F315-W317 HydrophobicContact CB-CE3 4.47Å; F315-W317 HydrophobicContact CB-CH2 4.32Å; F315-W317 HydrophobicContact CB-CZ2 4.06Å; F315-W317 AromaticContact CD2-CH2 3.62Å; F315-W317 HydrophobicContact CD2-CH2 3.62Å; F315-W317 AromaticContact CD2-CZ2 3.72Å; F315-W317 HydrophobicContact CD2-CZ2 3.72Å; F315-W317 HydrophobicContact CD2-CZ3 4.32Å; F315-W317 HydrophobicContact CE2-CH2 4.39Å; F315-W317 HydrophobicContact CG-CH2 4.37Å; F315-W317 HydrophobicContact CG-CZ2 4.39Å; F315-W317 PolarHBondContact O-N 3.36Å; F315-W317 PolarHBondContact O-NE1 3.02Å
316	T	94.6	Very high	93.5	Very high	22 Å²	22	30.2 Å²	30.2	14%	0.135	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	103.2	165.4	-58.1	0	0	0	0	108.2	W230 K290 V291 V292 F341	W230-T316 HydrophobicContact CH2-CG2 3.81Å; W230-T316 HydrophobicContact CZ2-CG2 4.26Å; W230-T316 HydrophobicContact CZ3-CG2 4.4Å; K290-T316 PolarHBondContact O-N 3.25Å; V291-T316 VanDerWaalsContact CA-O 3.32Å; V291-T316 WeakPolarHBondContact CA-O 3.41Å; V291-T316 HydrophobicContact CG2-CG2 4.32Å; V292-T316 PolarHBondContact N-O 3.08Å; T316-F341 HydrophobicContact CG2-CD2 4.46Å
317	W	96.4	Very high	93.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	136.2	-179.6	-50.4	99.6	0	0	0	110.7	I280 V292 L294 L304 L305 A308 F315 W323 V336 A340 F341	I280-W317 HydrophobicContact CD1-CH2 4.38Å; V292-W317 HydrophobicContact CB-CE3 3.88Å; V292-W317 HydrophobicContact CB-CZ3 3.98Å; V292-W317 HydrophobicContact CG1-CE3 4.12Å; V292-W317 HydrophobicContact CG1-CZ3 3.91Å; V292-W317 HydrophobicContact CG2-CZ3 4.42Å; L294-W317 HydrophobicContact CD1-CD2 4.38Å; L294-W317 HydrophobicContact CD1-CE3 3.69Å; L294-W317 HydrophobicContact CD1-CZ3 4.28Å; L294-W317 HydrophobicContact CD2-CE3 4.09Å; L294-W317 HydrophobicContact CD2-CZ3 4.15Å; L294-W317 HydrophobicContact CG-CE3 4.05Å; L304-W317 HydrophobicContact CD2-CZ3 4.13Å; L305-W317 HydrophobicContact CD2-CD2 4.37Å; L305-W317 HydrophobicContact CD2-CZ2 4.09Å; A308-W317 HydrophobicContact CB-CH2 4.41Å; A308-W317 HydrophobicContact CB-CZ2 4.12Å; F315-W317 HydrophobicContact CB-CD2 4.26Å; F315-W317 HydrophobicContact CB-CE3 4.47Å; F315-W317 HydrophobicContact CB-CH2 4.32Å; F315-W317 HydrophobicContact CB-CZ2 4.06Å; F315-W317 AromaticContact CD2-CH2 3.62Å; F315-W317 HydrophobicContact CD2-CH2 3.62Å; F315-W317 AromaticContact CD2-CZ2 3.72Å; F315-W317 HydrophobicContact CD2-CZ2 3.72Å; F315-W317 HydrophobicContact CD2-CZ3 4.32Å; F315-W317 HydrophobicContact CE2-CH2 4.39Å; F315-W317 HydrophobicContact CG-CH2 4.37Å; F315-W317 HydrophobicContact CG-CZ2 4.39Å; F315-W317 PolarHBondContact O-N 3.36Å; F315-W317 PolarHBondContact O-NE1 3.02Å; W317-W323 HydrophobicContact CB-CH2 4.35Å; W317-W323 HydrophobicContact CB-CZ3 4.19Å; W317-W323 HydrophobicContact CG-CH2 4.3Å; W317-W323 HydrophobicContact CG-CZ3 4.29Å; W317-V336 HydrophobicContact CZ2-CG1 4.09Å; W317-V336 PolarHBondContact NE1-O 3.43Å; W317-A340 HydrophobicContact CB-CB 3.84Å; W317-A340 HydrophobicContact CG-CB 4.45Å; W317-A340 CarbonylContact O-C 3.51Å; W317-A340 WeakPolarHBondContact O-CA 3.34Å; W317-F341 PolarHBondContact O-N 2.99Å
318	V	97.8	Very high	92.7	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	107.2	168.4	-177.6	0	0	0	0	107.2	M221 L225 W230 V291 V292 I293 L294 F341	M221-V318 HydrophobicContact CE-CB 4.47Å; M221-V318 HydrophobicContact CE-CG1 3.84Å; M221-V318 WeakPolarHBondContact CE-O 3.47Å; M221-V318 HydrophobicContact CG-CG1 4.43Å; L225-V318 HydrophobicContact CD2-CG2 4.26Å; W230-V318 HydrophobicContact CZ3-CG2 4.2Å; V291-V318 HydrophobicContact CG1-CG2 3.78Å; V292-V318 PolarHBondContact O-N 3.33Å; I293-V318 CarbonylContact C-O 3.52Å; I293-V318 WeakPolarHBondContact CA-O 3.49Å; I293-V318 HydrophobicContact CD1-CB 3.65Å; I293-V318 HydrophobicContact CD1-CG1 4.01Å; I293-V318 HydrophobicContact CD1-CG2 4.23Å; L294-V318 PolarHBondContact N-O 3.43Å; V318-F341 CarbonylContact C-O 3.53Å; V318-F341 VanDerWaalsContact CA-O 3.24Å; V318-F341 WeakPolarHBondContact CA-O 3.21Å; V318-F341 HydrophobicContact CG1-CB 4.45Å; V318-F341 HydrophobicContact CG2-CB 4.29Å
319	A	97.1	Very high	92.5	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	147.2	-168.2	0	0	0	0	0	113.7	L294 W323 F341 T342 I343	L294-A319 HydrophobicContact CB-CB 3.97Å; L294-A319 HydrophobicContact CD1-CB 4.35Å; A319-W323 HydrophobicContact CB-CB 3.84Å; A319-W323 HydrophobicContact CB-CD2 4.09Å; A319-W323 HydrophobicContact CB-CE3 3.69Å; A319-W323 HydrophobicContact CB-CG 4.22Å; A319-W323 HydrophobicContact CB-CZ3 4.47Å; A319-F341 PolarHBondContact N-O 2.89Å; A319-T342 HydrophobicContact CB-CG2 4.16Å; A319-T342 WeakPolarHBondContact O-CA 3.44Å; A319-I343 PolarHBondContact O-N 2.93Å
320	S	95.6	Very high	92.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.167	C	C	.	.			trans	-67.8	177.5	168.9	58.9	0	0	0	0	112.6	Y242 L294 G322 W323 G324 I343	Y242-S320 VanDerWaalsContact OH-CB 3.26Å; Y242-S320 WeakPolarHBondContact OH-CB 3.41Å; Y242-S320 PolarHBondContact OH-OG 2.97Å; L294-S320 PolarHBondContact O-N 3.36Å; L294-S320 PolarHBondContact O-OG 3.44Å; S320-G322 PolarHBondContact O-N 3.18Å; S320-W323 PolarHBondContact O-N 3.3Å; S320-W323 VanDerWaalsContact O-N 3.1Å; S320-G324 PolarHBondContact O-N 3.18Å; S320-G324 VanDerWaalsContact O-N 3.16Å; S320-I343 CarbonylContact C-O 3.51Å
321	D	92.4	Very high	92.2	Very high	5 Å²	5	34 Å²	34	3%	0.027	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-9	-178.3	76.8	-51.8	0	0	0	113.4	Q217 Y242 W323 I343 K403	Q217-D321 PolarHBondContact NE2-OD1 3.35Å; Y242-D321 PolarHBondContact OH-OD1 2.86Å; Y242-D321 VanDerWaalsContact OH-OD1 3.09Å; D321-W323 PolarHBondContact O-N 3.24Å; D321-I343 WeakPolarHBondContact CA-O 3.25Å; D321-I343 WeakPolarHBondContact CB-O 3.45Å; D321-I343 PolarHBondContact N-O 3.44Å; D321-K403 WeakPolarHBondContact OD2-CE 3.46Å; D321-K403 IonicContact OD2-NZ 3.51Å; D321-K403 PolarHBondContact OD2-NZ 3.4Å
322	G	89.8	Confident	92.1	Very high	8 Å²	8	33.7 Å²	33.7	8%	0.082	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-39.4	164.1	0	0	0	0	0	111.9	R84 Y242 S298 S320 Q326	R84-G322 PolarHBondContact NH2-O 3.41Å; R84-G322 VanDerWaalsContact NH2-O 3.15Å; Y242-G322 PolarHBondContact OH-N 3.43Å; S298-G322 WeakPolarHBondContact CA-O 3.39Å; S298-G322 WeakPolarHBondContact CB-O 3.48Å; S298-G322 PolarHBondContact N-O 3.48Å; S320-G322 PolarHBondContact O-N 3.18Å; G322-Q326 PolarHBondContact O-NE2 2.94Å
323	W	92.7	Very high	92.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-57.5	167.7	-173.3	-30.9	0	0	0	110.2	L294 A301 L305 W317 A319 S320 D321 Q326 V329 V330 A337 A340 T342 Y493	L294-W323 HydrophobicContact CD1-CE3 3.84Å; L294-W323 HydrophobicContact CD1-CZ3 3.7Å; A301-W323 HydrophobicContact CB-CE3 4.35Å; L305-W323 HydrophobicContact CD1-CE3 4.4Å; L305-W323 HydrophobicContact CD1-CH2 3.46Å; L305-W323 VanDerWaalsContact CD1-CH2 3.46Å; L305-W323 HydrophobicContact CD1-CZ2 3.76Å; L305-W323 HydrophobicContact CD1-CZ3 3.78Å; L305-W323 HydrophobicContact CD2-CH2 3.62Å; L305-W323 HydrophobicContact CD2-CZ3 3.86Å; L305-W323 HydrophobicContact CG-CH2 4.03Å; L305-W323 HydrophobicContact CG-CZ3 4.09Å; W317-W323 HydrophobicContact CB-CH2 4.35Å; W317-W323 HydrophobicContact CB-CZ3 4.19Å; W317-W323 HydrophobicContact CG-CH2 4.3Å; W317-W323 HydrophobicContact CG-CZ3 4.29Å; A319-W323 HydrophobicContact CB-CB 3.84Å; A319-W323 HydrophobicContact CB-CD2 4.09Å; A319-W323 HydrophobicContact CB-CE3 3.69Å; A319-W323 HydrophobicContact CB-CG 4.22Å; A319-W323 HydrophobicContact CB-CZ3 4.47Å; S320-W323 PolarHBondContact O-N 3.3Å; S320-W323 VanDerWaalsContact O-N 3.1Å; D321-W323 PolarHBondContact O-N 3.24Å; W323-Q326 WeakPolarHBondContact O-CB 3.27Å; W323-Q326 PolarHBondContact O-N 3.3Å; W323-Q326 PolarHBondContact O-NE2 3.42Å; W323-V329 HydrophobicContact CD2-CG1 3.86Å; W323-V329 HydrophobicContact CE3-CG1 4.43Å; W323-V329 HydrophobicContact CG-CB 4.46Å; W323-V329 HydrophobicContact CG-CG1 3.88Å; W323-V330 HydrophobicContact CH2-CG1 4.4Å; W323-V330 HydrophobicContact CZ2-CG1 3.33Å; W323-A337 HydrophobicContact CH2-CB 4.03Å; W323-A337 HydrophobicContact CZ2-CB 3.87Å; W323-A340 HydrophobicContact CH2-CB 4.14Å; W323-A340 HydrophobicContact CZ2-CB 4.27Å; W323-T342 HydrophobicContact CD2-CG2 4.11Å; W323-T342 HydrophobicContact CG-CG2 4.01Å; W323-Y493 AromaticContact NE1-CE1 3.98Å; W323-Y493 AromaticContact NE1-CZ 3.81Å; W323-Y493 PolarHBondContact NE1-OH 3.43Å
324	G	91.1	Very high	92.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	-142	-178.1	0	0	0	0	0	113	S320 T342	S320-G324 PolarHBondContact O-N 3.18Å; S320-G324 VanDerWaalsContact O-N 3.16Å; G324-T342 VanDerWaalsContact O-CB 3.28Å; G324-T342 WeakPolarHBondContact O-CB 3.49Å; G324-T342 PolarHBondContact O-OG1 2.82Å
325	A	89.6	Confident	92.5	Very high	31 Å²	31	27.4 Å²	27.4	26%	0.256	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	40.4	176.1	0	0	0	0	0	112.8	F482 Y493	A325-F482 HydrophobicContact CB-CD1 4.44Å; A325-F482 HydrophobicContact CB-CD2 4.18Å; A325-F482 HydrophobicContact CB-CE2 4.25Å; A325-F482 HydrophobicContact CB-CG 4.28Å; A325-F482 HydrophobicContact CB-CZ 4.43Å; A325-Y493 HydrophobicContact CB-CD1 4.24Å; A325-Y493 HydrophobicContact CB-CD2 4.38Å; A325-Y493 HydrophobicContact CB-CG 4.02Å
326	Q	87.9	Confident	92.5	Very high	19 Å²	19	26.4 Å²	26.4	9%	0.089	15%	0.153	C	C	.	.			trans	-90.5	118.6	-175.7	-70.5	165.9	80.7	0	0	112.6	R84 G322 W323 S328 V329 Y493	R84-Q326 VanDerWaalsContact NH2-CD 3.32Å; G322-Q326 PolarHBondContact O-NE2 2.94Å; W323-Q326 WeakPolarHBondContact O-CB 3.27Å; W323-Q326 PolarHBondContact O-N 3.3Å; W323-Q326 PolarHBondContact O-NE2 3.42Å; Q326-S328 VanDerWaalsContact C-N 3.25Å; Q326-S328 PolarHBondContact O-N 3.12Å; Q326-V329 HydrophobicContact CB-CG2 3.96Å; Q326-V329 PolarHBondContact O-N 3.41Å; Q326-Y493 PolarHBondContact O-OH 2.94Å; Q326-Y493 VanDerWaalsContact O-OH 3.1Å
327	E	86.8	Confident	92.5	Very high	57 Å²	57	25.4 Å²	25.4	27%	0.266	15%	0.147	S	C	.	.	H	α-helix	trans	-64.2	-28.5	175.1	-67.9	-63.8	166.6	0	0	113.1	V329 V330 R331 Y493	E327-V329 PolarHBondContact O-N 3.32Å; E327-V330 WeakPolarHBondContact O-CG2 3.29Å; E327-V330 PolarHBondContact O-N 3.11Å; E327-R331 PolarHBondContact O-N 2.8Å; E327-Y493 WeakPolarHBondContact OE1-CD2 3.38Å
328	S	86.1	Confident	92.4	Very high	51 Å²	51	28.8 Å²	28.8	36%	0.357	17%	0.165	S	C	.	.	H	α-helix	trans	-65.9	-24.3	-179.5	57.5	0	0	0	0	113.8	Q326	Q326-S328 VanDerWaalsContact C-N 3.25Å; Q326-S328 PolarHBondContact O-N 3.12Å
329	V	91	Very high	92.1	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.012	17%	0.174	C	C	.	.	H	α-helix	trans	-77.4	-39.9	-179.2	177.4	0	0	0	0	111.4	A301 R302 L305 W323 Q326 E327	A301-V329 HydrophobicContact CB-CG1 3.92Å; R302-V329 HydrophobicContact CB-CG1 4.48Å; L305-V329 HydrophobicContact CD1-CG1 4.09Å; W323-V329 HydrophobicContact CD2-CG1 3.86Å; W323-V329 HydrophobicContact CE3-CG1 4.43Å; W323-V329 HydrophobicContact CG-CB 4.46Å; W323-V329 HydrophobicContact CG-CG1 3.88Å; Q326-V329 HydrophobicContact CB-CG2 3.96Å; Q326-V329 PolarHBondContact O-N 3.41Å; E327-V329 PolarHBondContact O-N 3.32Å
330	V	93.7	Very high	92	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-90.3	-11.8	-174.7	-67.4	0	0	0	0	114	L305 W323 E327 G332 S333 E334 A337 Y484 Y493	L305-V330 HydrophobicContact CD1-CG1 4.2Å; W323-V330 HydrophobicContact CH2-CG1 4.4Å; W323-V330 HydrophobicContact CZ2-CG1 3.33Å; E327-V330 WeakPolarHBondContact O-CG2 3.29Å; E327-V330 PolarHBondContact O-N 3.11Å; V330-G332 PolarHBondContact O-N 2.77Å; V330-S333 CarbonylContact O-C 3.37Å; V330-S333 WeakPolarHBondContact O-CA 3.31Å; V330-S333 PolarHBondContact O-N 3.12Å; V330-E334 PolarHBondContact O-N 3.19Å; V330-A337 HydrophobicContact CB-CB 4.22Å; V330-A337 HydrophobicContact CG1-CB 3.61Å; V330-Y484 HydrophobicContact CG1-CE1 4.49Å; V330-Y484 HydrophobicContact CG2-CE2 3.99Å; V330-Y493 WeakPolarHBondContact CG1-OH 3.35Å; V330-Y493 HydrophobicContact CG2-CE2 4.37Å
331	R	91.1	Very high	92.1	Very high	188 Å²	188	29.7 Å²	29.7	71%	0.709	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.3	119.1	-174.3	-167.4	176.8	-165.8	171.4	4.8	112.7	E327 S333 E334	E327-R331 PolarHBondContact O-N 2.8Å; R331-S333 VanDerWaalsContact C-N 3.33Å; R331-E334 WeakPolarHBondContact CA-OE1 3.38Å
332	G	92.1	Very high	92.2	Very high	47 Å²	47	29.5 Å²	29.5	49%	0.485	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.4	9.1	-177.7	0	0	0	0	0	114.7	N309 V330 E334	N309-G332 PolarHBondContact ND2-O 2.99Å; V330-G332 PolarHBondContact O-N 2.77Å; G332-E334 VanDerWaalsContact CA-OE2 3.26Å; G332-E334 WeakPolarHBondContact CA-OE2 3.36Å; G332-E334 PolarHBondContact N-OE1 3.43Å; G332-E334 PolarHBondContact N-OE2 3.09Å; G332-E334 VanDerWaalsContact N-OE2 3.12Å
333	S	95.4	Very high	92.5	Very high	3 Å²	3	29.1 Å²	29.1	2%	0.021	17%	0.169	C	C	.	.			trans	-141	28.4	175.4	-61.4	0	0	0	0	111.4	V330 R331 A335 V336 A337	V330-S333 CarbonylContact O-C 3.37Å; V330-S333 WeakPolarHBondContact O-CA 3.31Å; V330-S333 PolarHBondContact O-N 3.12Å; R331-S333 VanDerWaalsContact C-N 3.33Å; S333-A335 VanDerWaalsContact C-N 3.33Å; S333-A335 PolarHBondContact O-N 3.39Å; S333-V336 PolarHBondContact O-N 3.49Å; S333-V336 VanDerWaalsContact O-N 3.11Å; S333-A337 PolarHBondContact O-N 2.88Å; S333-A337 VanDerWaalsContact O-N 3.15Å
334	E	94.6	Very high	92.5	Very high	62 Å²	62	29.8 Å²	29.8	29%	0.29	17%	0.172	S	C	.	.	H	α-helix	trans	-61.3	-40	-172.6	-62	82.7	175.2	0	0	112	V330 R331 G332 V336 A337 D338 Y484 Y491	V330-E334 PolarHBondContact O-N 3.19Å; R331-E334 WeakPolarHBondContact CA-OE1 3.38Å; G332-E334 VanDerWaalsContact CA-OE2 3.26Å; G332-E334 WeakPolarHBondContact CA-OE2 3.36Å; G332-E334 PolarHBondContact N-OE1 3.43Å; G332-E334 PolarHBondContact N-OE2 3.09Å; G332-E334 VanDerWaalsContact N-OE2 3.12Å; E334-V336 VanDerWaalsContact C-N 3.25Å; E334-V336 PolarHBondContact O-N 3.34Å; E334-A337 PolarHBondContact O-N 3.16Å; E334-D338 PolarHBondContact O-N 3.47Å; E334-D338 VanDerWaalsContact O-N 3.11Å; E334-Y484 HydrophobicContact CB-CE1 4.44Å; E334-Y484 WeakPolarHBondContact CB-OH 3.43Å; E334-Y484 VanDerWaalsContact CG-OH 3.25Å; E334-Y484 WeakPolarHBondContact CG-OH 3.48Å; E334-Y491 HydrophobicContact CB-CD1 4.42Å; E334-Y491 HydrophobicContact CB-CD2 3.57Å; E334-Y491 HydrophobicContact CB-CE2 3.8Å; E334-Y491 HydrophobicContact CB-CG 3.91Å; E334-Y491 HydrophobicContact CG-CD2 4.24Å
335	A	92.5	Very high	92.6	Very high	57 Å²	57	29.9 Å²	29.9	47%	0.471	17%	0.173	S	C	.	.	H	α-helix	trans	-64.1	-28.5	178.6	0	0	0	0	0	113.3	S333	S333-A335 VanDerWaalsContact C-N 3.33Å; S333-A335 PolarHBondContact O-N 3.39Å
336	V	94.4	Very high	92.6	Very high	3 Å²	3	29.4 Å²	29.4	2%	0.018	17%	0.169	C	C	.	.	H	α-helix	trans	-85.1	-27.9	177.9	173.6	0	0	0	0	112	L305 A308 N309 V313 W317 S333 E334 D338	L305-V336 HydrophobicContact CD2-CG1 4.34Å; A308-V336 HydrophobicContact CB-CG1 3.71Å; N309-V336 HydrophobicContact CB-CG2 3.85Å; V313-V336 WeakPolarHBondContact O-CG1 3.46Å; W317-V336 HydrophobicContact CZ2-CG1 4.09Å; W317-V336 PolarHBondContact NE1-O 3.43Å; S333-V336 PolarHBondContact O-N 3.49Å; S333-V336 VanDerWaalsContact O-N 3.11Å; E334-V336 VanDerWaalsContact C-N 3.25Å; E334-V336 PolarHBondContact O-N 3.34Å; V336-D338 VanDerWaalsContact C-N 3.29Å
337	A	94.8	Very high	92.7	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-79	-12.6	174.8	0	0	0	0	0	113.1	W323 V330 S333 E334 G339 A340 Y484	W323-A337 HydrophobicContact CH2-CB 4.03Å; W323-A337 HydrophobicContact CZ2-CB 3.87Å; V330-A337 HydrophobicContact CB-CB 4.22Å; V330-A337 HydrophobicContact CG1-CB 3.61Å; S333-A337 PolarHBondContact O-N 2.88Å; S333-A337 VanDerWaalsContact O-N 3.15Å; E334-A337 PolarHBondContact O-N 3.16Å; A337-G339 PolarHBondContact O-N 3.23Å; A337-A340 WeakPolarHBondContact O-CB 3.16Å; A337-A340 PolarHBondContact O-N 3.46Å; A337-Y484 HydrophobicContact CB-CD1 3.78Å; A337-Y484 HydrophobicContact CB-CE1 3.73Å; A337-Y484 WeakPolarHBondContact O-CD1 3.41Å
338	D	93.3	Very high	92.7	Very high	72 Å²	72	28.5 Å²	28.5	39%	0.385	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	129.3	179.4	-167.9	37.8	0	0	0	111.6	E334 V336 H485 K486 Y491	E334-D338 PolarHBondContact O-N 3.47Å; E334-D338 VanDerWaalsContact O-N 3.11Å; V336-D338 VanDerWaalsContact C-N 3.29Å; D338-H485 VanDerWaalsContact OD1-CA 3.23Å; D338-H485 WeakPolarHBondContact OD1-CA 3.33Å; D338-K486 PolarHBondContact OD1-N 2.88Å; D338-Y491 HydrophobicContact CB-CE1 3.98Å
339	G	92.1	Very high	92.8	Very high	19 Å²	19	30.8 Å²	30.8	20%	0.196	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.3	11.3	-174.4	0	0	0	0	0	115	A337 Y484	A337-G339 PolarHBondContact O-N 3.23Å; G339-Y484 PolarHBondContact N-O 3.45Å
340	A	95.6	Very high	92.8	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	136.8	176	0	0	0	0	0	112.2	W317 W323 A337 H483 Y484	W317-A340 HydrophobicContact CB-CB 3.84Å; W317-A340 HydrophobicContact CG-CB 4.45Å; W317-A340 CarbonylContact O-C 3.51Å; W317-A340 WeakPolarHBondContact O-CA 3.34Å; W323-A340 HydrophobicContact CH2-CB 4.14Å; W323-A340 HydrophobicContact CZ2-CB 4.27Å; A337-A340 WeakPolarHBondContact O-CB 3.16Å; A337-A340 PolarHBondContact O-N 3.46Å; A340-H483 WeakPolarHBondContact O-CA 3.29Å; A340-Y484 PolarHBondContact O-N 3.44Å
341	F	96.7	Very high	92.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	126.7	164.2	-71	-92.2	0	0	0	109.2	F228 W230 T316 W317 V318 A319 I481 F482 H483 V496 I510 W512	F228-F341 AromaticContact CE2-CE1 4Å; F228-F341 HydrophobicContact CE2-CE1 4Å; F228-F341 HydrophobicContact CE2-CE2 4.49Å; F228-F341 AromaticContact CE2-CZ 3.83Å; F228-F341 HydrophobicContact CE2-CZ 3.83Å; F228-F341 HydrophobicContact CZ-CE1 4.27Å; F228-F341 HydrophobicContact CZ-CZ 4.03Å; W230-F341 HydrophobicContact CH2-CD2 4.25Å; W230-F341 AromaticContact CH2-CE2 3.9Å; W230-F341 HydrophobicContact CH2-CE2 3.9Å; T316-F341 HydrophobicContact CG2-CD2 4.46Å; W317-F341 PolarHBondContact O-N 2.99Å; V318-F341 CarbonylContact C-O 3.53Å; V318-F341 VanDerWaalsContact CA-O 3.24Å; V318-F341 WeakPolarHBondContact CA-O 3.21Å; V318-F341 HydrophobicContact CG1-CB 4.45Å; V318-F341 HydrophobicContact CG2-CB 4.29Å; A319-F341 PolarHBondContact N-O 2.89Å; F341-I481 HydrophobicContact CD1-CG2 4.38Å; F341-F482 WeakPolarHBondContact CA-O 3.31Å; F341-H483 AromaticContact CE1-CD2 3.74Å; F341-H483 AromaticContact CE2-CD2 3.63Å; F341-H483 AromaticContact CE2-NE2 3.95Å; F341-H483 AromaticContact CZ-CD2 3.49Å; F341-H483 VanDerWaalsContact CZ-CD2 3.49Å; F341-H483 WeakPolarHBondContact CZ-CD2 3.39Å; F341-V496 HydrophobicContact CE1-CG2 4.45Å; F341-I510 HydrophobicContact CE1-CD1 3.83Å; F341-I510 HydrophobicContact CE1-CG1 4.49Å; F341-I510 HydrophobicContact CZ-CD1 4.05Å; F341-I510 HydrophobicContact CZ-CG2 3.88Å; F341-W512 AromaticContact CE2-CH2 3.73Å; F341-W512 HydrophobicContact CE2-CH2 3.73Å; F341-W512 HydrophobicContact CE2-CZ3 4.15Å; F341-W512 AromaticContact CZ-CH2 3.65Å; F341-W512 HydrophobicContact CZ-CH2 3.65Å; F341-W512 HydrophobicContact CZ-CZ2 4.2Å; F341-W512 HydrophobicContact CZ-CZ3 4.42Å
342	T	96.1	Very high	92.7	Very high	0 Å²	0	29 Å²	29	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	144.8	174.2	71.7	0	0	0	0	109.8	A319 W323 G324 F482 Y493	A319-T342 HydrophobicContact CB-CG2 4.16Å; A319-T342 WeakPolarHBondContact O-CA 3.44Å; W323-T342 HydrophobicContact CD2-CG2 4.11Å; W323-T342 HydrophobicContact CG-CG2 4.01Å; G324-T342 VanDerWaalsContact O-CB 3.28Å; G324-T342 WeakPolarHBondContact O-CB 3.49Å; G324-T342 PolarHBondContact O-OG1 2.82Å; T342-F482 PolarHBondContact N-O 2.6Å; T342-F482 PolarHBondContact O-N 3.09Å; T342-Y493 HydrophobicContact CG2-CE1 4.38Å
343	I	94.9	Very high	92.8	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	137.4	176.4	-54.3	-171.9	0	0	0	107.8	A220 M221 I224 A319 S320 D321 Y479	A220-I343 HydrophobicContact CB-CD1 3.97Å; M221-I343 HydrophobicContact CB-CD1 4.3Å; M221-I343 HydrophobicContact CG-CD1 3.3Å; M221-I343 HydrophobicContact CG-CG1 4.32Å; I224-I343 HydrophobicContact CD1-CD1 3.78Å; I224-I343 HydrophobicContact CD1-CG1 4.12Å; A319-I343 PolarHBondContact O-N 2.93Å; S320-I343 CarbonylContact C-O 3.51Å; D321-I343 WeakPolarHBondContact CA-O 3.25Å; D321-I343 WeakPolarHBondContact CB-O 3.45Å; D321-I343 PolarHBondContact N-O 3.44Å; I343-Y479 VanDerWaalsContact CG2-CB 3.48Å; I343-Y479 HydrophobicContact CG2-CD1 3.6Å; I343-Y479 HydrophobicContact CG2-CG 3.7Å
344	E	92.6	Very high	92.6	Very high	14 Å²	14	28.5 Å²	28.5	7%	0.065	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	150	174.1	-170.8	166.5	-135.3	0	0	109.9	A346 S402 Y479 N480 F482	E344-A346 PolarHBondContact O-N 3.36Å; E344-S402 WeakPolarHBondContact OE1-CB 3.28Å; E344-S402 PolarHBondContact OE1-OG 2.92Å; E344-Y479 CarbonylContact O-C 3.36Å; E344-Y479 VanDerWaalsContact O-CA 3.24Å; E344-Y479 WeakPolarHBondContact O-CA 3.39Å; E344-Y479 WeakPolarHBondContact O-CB 3.45Å; E344-N480 PolarHBondContact N-O 3.49Å; E344-N480 PolarHBondContact O-N 3.17Å; E344-F482 HydrophobicContact CB-CD2 4.22Å; E344-F482 HydrophobicContact CB-CE2 3.95Å; E344-F482 WeakPolarHBondContact OE2-CE2 3.32Å
345	L	92.5	Very high	92.5	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.01	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	135.9	173.1	-68.2	171.4	0	0	0	110.2	V211 P212 S347 K403 F406 Y479	V211-L345 HydrophobicContact CB-CD1 4.02Å; V211-L345 HydrophobicContact CG1-CD1 3.62Å; P212-L345 VanDerWaalsContact CD-CD2 3.46Å; P212-L345 HydrophobicContact CG-CD2 3.48Å; P212-L345 VanDerWaalsContact CG-CD2 3.48Å; L345-S347 PolarHBondContact O-N 2.99Å; L345-K403 HydrophobicContact CD1-CG 4.47Å; L345-F406 HydrophobicContact CB-CE2 3.6Å; L345-F406 HydrophobicContact CB-CZ 3.75Å; L345-F406 HydrophobicContact CD1-CD2 4.23Å; L345-F406 HydrophobicContact CD1-CE2 3.78Å; L345-F406 HydrophobicContact CD1-CZ 4.21Å; L345-F406 HydrophobicContact CG-CE2 4.33Å; L345-F406 HydrophobicContact CG-CZ 4.5Å; L345-Y479 HydrophobicContact CD2-CD1 4Å; L345-Y479 HydrophobicContact CD2-CE1 3.49Å; L345-Y479 VanDerWaalsContact CD2-CE1 3.49Å; L345-Y479 HydrophobicContact CG-CE1 4.37Å
346	A	90.9	Very high	92.6	Very high	21 Å²	21	30.6 Å²	30.6	17%	0.174	16%	0.163	C	C	.	.			trans	-66.6	106	178.3	0	0	0	0	0	110.1	E344 R478 Y498	E344-A346 PolarHBondContact O-N 3.36Å; A346-R478 HydrophobicContact CB-CB 3.69Å; A346-R478 WeakPolarHBondContact CB-O 3.41Å; A346-R478 PolarHBondContact N-O 3.08Å; A346-Y498 HydrophobicContact CB-CE2 3.9Å
347	S	89.3	Confident	92.5	Very high	27 Å²	27	30.6 Å²	30.6	19%	0.189	16%	0.163	C	C	.	.			trans	-132	160.9	175.8	67.5	0	0	0	0	111.4	L345 S402	L345-S347 PolarHBondContact O-N 2.99Å; S347-S402 VanDerWaalsContact CB-O 3.23Å; S347-S402 WeakPolarHBondContact CB-O 3.01Å; S347-S402 PolarHBondContact OG-O 2.97Å
348	Y	87.6	Confident	92.3	Very high	31 Å²	31	31.5 Å²	31.5	12%	0.122	17%	0.168	C	C	.	.			trans	-112.8	152.9	171.3	54.5	-100.2	0	0	0	110	I350 M405 A456 P457 F458 R459 P460 N465	Y348-I350 HydrophobicContact CD2-CG1 4.01Å; Y348-I350 HydrophobicContact CE2-CD1 4.22Å; Y348-I350 HydrophobicContact CE2-CG1 3.82Å; Y348-M405 HydrophobicContact CD1-SD 3.58Å; Y348-M405 VanDerWaalsContact CD1-SD 3.58Å; Y348-M405 HydrophobicContact CE1-CG 4.15Å; Y348-M405 HydrophobicContact CE1-SD 3.34Å; Y348-M405 WeakPolarHBondContact CE1-SD 3.37Å; Y348-M405 HydrophobicContact CE2-CG 4.26Å; Y348-M405 HydrophobicContact CE2-SD 4.33Å; Y348-M405 HydrophobicContact CG-SD 4.17Å; Y348-A456 VanDerWaalsContact OH-CB 3.27Å; Y348-A456 WeakPolarHBondContact OH-CB 3.24Å; Y348-P457 PolarHBondContact OH-O 3.22Å; Y348-F458 WeakPolarHBondContact CE2-O 3.32Å; Y348-R459 HydrophobicContact CE1-CB 3.96Å; Y348-R459 HydrophobicContact CE2-CB 4.41Å; Y348-R459 VanDerWaalsContact CZ-CA 3.49Å; Y348-R459 WeakPolarHBondContact OH-CA 3.45Å; Y348-R459 PolarHBondContact OH-N 3.37Å; Y348-P460 HydrophobicContact CD2-CG 4.42Å; Y348-P460 HydrophobicContact CG-CG 4.34Å; Y348-N465 HydrophobicContact CE1-CB 4.21Å
349	Q	87.3	Confident	92.3	Very high	99 Å²	99	32.2 Å²	32.2	46%	0.463	18%	0.175	S	C	.	.			trans	-70.4	141.5	173.4	-66.5	-62.2	-21.7	0	0	110	P351 P400	Q349-P351 VanDerWaalsContact O-CD 3.28Å; Q349-P351 WeakPolarHBondContact O-CD 3.28Å; Q349-P400 VanDerWaalsContact OE1-CB 3.23Å
350	I	91.4	Very high	92.3	Very high	5 Å²	5	32 Å²	32	3%	0.026	17%	0.169	C	C	.	.			trans	-110.3	92.7	179.9	-59.1	-179.3	0	0	0	108.3	Y348 H352 F353 N354 I404 M405 I408 F458	Y348-I350 HydrophobicContact CD2-CG1 4.01Å; Y348-I350 HydrophobicContact CE2-CD1 4.22Å; Y348-I350 HydrophobicContact CE2-CG1 3.82Å; I350-H352 HydrophobicContact CG2-CB 4.19Å; I350-H352 PolarHBondContact O-N 2.76Å; I350-H352 VanDerWaalsContact O-N 3.14Å; I350-F353 HydrophobicContact CB-CB 4.16Å; I350-F353 HydrophobicContact CG2-CB 3.95Å; I350-F353 PolarHBondContact O-N 3.41Å; I350-N354 PolarHBondContact O-N 3.36Å; I350-N354 PolarHBondContact O-OD1 2.71Å; I350-I404 HydrophobicContact CD1-CG2 4.43Å; I350-M405 HydrophobicContact CD1-CB 4.07Å; I350-M405 HydrophobicContact CD1-CG 4.46Å; I350-I408 HydrophobicContact CD1-CD1 3.75Å; I350-F458 HydrophobicContact CG2-CB 3.72Å; I350-F458 HydrophobicContact CG2-CD2 4.21Å; I350-F458 HydrophobicContact CG2-CG 4.02Å
351	P	91.3	Very high	92.1	Very high	80 Å²	80	34 Å²	34	52%	0.519	18%	0.179	S	C	.	.	H	α-helix	trans	-57	-33.3	-177.6	-25.7	34.8	0	0	0	113.1	Q349 F353 N354 Q355	Q349-P351 VanDerWaalsContact O-CD 3.28Å; Q349-P351 WeakPolarHBondContact O-CD 3.28Å; P351-F353 PolarHBondContact O-N 3.34Å; P351-N354 WeakPolarHBondContact O-CB 3.44Å; P351-N354 PolarHBondContact O-N 3.05Å; P351-Q355 WeakPolarHBondContact O-CG 3.35Å; P351-Q355 PolarHBondContact O-N 3.22Å
352	H	91.9	Very high	91.8	Very high	68 Å²	68	34 Å²	34	32%	0.315	18%	0.179	S	C	.	.	H	α-helix	trans	-59.5	-43.8	176.6	-174.2	-118.4	0	0	0	112.3	E98 I350 N354 Q355 Y356 F458	E98-H352 IonicContact OE1-CE1 2.85Å; I350-H352 HydrophobicContact CG2-CB 4.19Å; I350-H352 PolarHBondContact O-N 2.76Å; I350-H352 VanDerWaalsContact O-N 3.14Å; H352-N354 VanDerWaalsContact C-N 3.35Å; H352-Q355 PolarHBondContact O-N 3.12Å; H352-Y356 WeakPolarHBondContact O-CB 3.35Å; H352-Y356 PolarHBondContact O-N 3.38Å; H352-F458 HydrophobicContact CB-CD1 4.15Å; H352-F458 HydrophobicContact CB-CE1 4.45Å; H352-F458 AromaticContact CE1-CE1 3.98Å; H352-F458 AromaticContact ND1-CD1 3.95Å; H352-F458 AromaticContact ND1-CE1 3.39Å; H352-F458 WeakPolarHBondContact ND1-CE1 3.27Å; H352-F458 AromaticContact ND1-CZ 3.72Å
353	F	93.9	Very high	91.4	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-65.8	-39.9	175.8	177.6	-94.8	0	0	0	111.2	Q87 E90 A91 L94 I350 P351 Q355 Y356 F357 F398 I404	Q87-F353 HydrophobicContact CB-CE1 4.21Å; Q87-F353 HydrophobicContact CB-CZ 4.07Å; Q87-F353 WeakPolarHBondContact O-CZ 3.34Å; E90-F353 HydrophobicContact CB-CE2 4.29Å; E90-F353 HydrophobicContact CB-CZ 4.41Å; A91-F353 HydrophobicContact CB-CD2 4.08Å; A91-F353 HydrophobicContact CB-CE2 3.71Å; A91-F353 HydrophobicContact CB-CZ 4.32Å; L94-F353 HydrophobicContact CD2-CB 4.12Å; L94-F353 HydrophobicContact CD2-CD2 3.72Å; L94-F353 HydrophobicContact CD2-CG 4.42Å; I350-F353 HydrophobicContact CB-CB 4.16Å; I350-F353 HydrophobicContact CG2-CB 3.95Å; I350-F353 PolarHBondContact O-N 3.41Å; P351-F353 PolarHBondContact O-N 3.34Å; F353-Q355 VanDerWaalsContact C-N 3.34Å; F353-Q355 PolarHBondContact O-N 2.95Å; F353-Y356 HydrophobicContact CD2-CD1 4.14Å; F353-Y356 HydrophobicContact CE2-CD1 4.13Å; F353-Y356 HydrophobicContact CE2-CE1 4.4Å; F353-Y356 PolarHBondContact O-N 3.06Å; F353-F357 HydrophobicContact CD1-CB 4.49Å; F353-F357 HydrophobicContact CE1-CB 4.01Å; F353-F357 HydrophobicContact CE1-CD2 4.29Å; F353-F357 HydrophobicContact CE1-CG 4.28Å; F353-F357 HydrophobicContact CZ-CB 4.08Å; F353-F357 AromaticContact CZ-CD2 3.8Å; F353-F357 HydrophobicContact CZ-CD2 3.8Å; F353-F357 HydrophobicContact CZ-CG 4.2Å; F353-F357 WeakPolarHBondContact O-CB 3.34Å; F353-F357 PolarHBondContact O-N 2.95Å; F353-F398 HydrophobicContact CD1-CZ 4.47Å; F353-F398 HydrophobicContact CE1-CZ 4.15Å; F353-I404 HydrophobicContact CB-CG2 4.4Å; F353-I404 HydrophobicContact CD1-CD1 3.65Å; F353-I404 HydrophobicContact CD1-CG2 4.06Å; F353-I404 HydrophobicContact CD2-CG2 4.26Å; F353-I404 HydrophobicContact CE1-CD1 3.42Å; F353-I404 VanDerWaalsContact CE1-CD1 3.42Å; F353-I404 HydrophobicContact CE1-CG1 4.27Å; F353-I404 HydrophobicContact CE1-CG2 4.45Å; F353-I404 HydrophobicContact CG-CG2 3.95Å; F353-I404 HydrophobicContact CZ-CD1 4.21Å
354	N	91.9	Very high	91.1	Very high	39 Å²	39	46 Å²	46	21%	0.209	23%	0.234	C	C	.	.	H	α-helix	trans	-60.6	-46.4	179	-58.6	2	0	0	0	110.7	I350 P351 H352 F357 T358 F398	I350-N354 PolarHBondContact O-N 3.36Å; I350-N354 PolarHBondContact O-OD1 2.71Å; P351-N354 WeakPolarHBondContact O-CB 3.44Å; P351-N354 PolarHBondContact O-N 3.05Å; H352-N354 VanDerWaalsContact C-N 3.35Å; N354-F357 PolarHBondContact O-N 3.19Å; N354-T358 WeakPolarHBondContact O-CB 3.03Å; N354-T358 VanDerWaalsContact O-CG2 3.26Å; N354-T358 WeakPolarHBondContact O-CG2 3.43Å; N354-T358 PolarHBondContact O-N 3.14Å; N354-T358 PolarHBondContact O-OG1 3.12Å; N354-F398 HydrophobicContact CB-CD1 4.07Å; N354-F398 HydrophobicContact CB-CE1 3.75Å; N354-F398 WeakPolarHBondContact OD1-CE1 3.28Å
355	Q	92.2	Very high	91	Very high	128 Å²	128	45.7 Å²	45.7	60%	0.598	23%	0.233	S	C	*	.	H	α-helix	trans	-60.3	-51.9	175.7	-69.9	172.1	-0.6	0	0	110.8	P351 H352 F353 F357 T358 T359	P351-Q355 WeakPolarHBondContact O-CG 3.35Å; P351-Q355 PolarHBondContact O-N 3.22Å; H352-Q355 PolarHBondContact O-N 3.12Å; F353-Q355 VanDerWaalsContact C-N 3.34Å; F353-Q355 PolarHBondContact O-N 2.95Å; Q355-F357 PolarHBondContact O-N 2.72Å; Q355-T358 PolarHBondContact O-N 3.16Å; Q355-T358 PolarHBondContact O-OG1 3.11Å; Q355-T359 WeakPolarHBondContact O-CG2 3.08Å; Q355-T359 PolarHBondContact O-N 2.76Å
356	Y	93.5	Very high	90.9	Very high	35 Å²	35	50.8 Å²	50.8	14%	0.137	26%	0.264	C	S	.	.	H	α-helix	trans	-52.1	-55	176.3	164.7	-101.1	0	0	0	111.9	E90 L94 H352 F353 T358 T359 L360 R367	E90-Y356 HydrophobicContact CB-CE1 4.2Å; E90-Y356 PolarHBondContact OE2-OH 3.04Å; L94-Y356 HydrophobicContact CB-CD1 4.11Å; L94-Y356 HydrophobicContact CB-CE1 4.03Å; L94-Y356 HydrophobicContact CD1-CD1 4.23Å; L94-Y356 HydrophobicContact CD1-CD2 3.86Å; L94-Y356 HydrophobicContact CD1-CE2 4.33Å; L94-Y356 HydrophobicContact CD1-CG 3.83Å; L94-Y356 HydrophobicContact CD2-CD1 4.02Å; L94-Y356 HydrophobicContact CD2-CG 4.16Å; L94-Y356 HydrophobicContact CG-CD1 4.35Å; L94-Y356 HydrophobicContact CG-CG 4.4Å; H352-Y356 WeakPolarHBondContact O-CB 3.35Å; H352-Y356 PolarHBondContact O-N 3.38Å; F353-Y356 HydrophobicContact CD2-CD1 4.14Å; F353-Y356 HydrophobicContact CE2-CD1 4.13Å; F353-Y356 HydrophobicContact CE2-CE1 4.4Å; F353-Y356 PolarHBondContact O-N 3.06Å; Y356-T358 PolarHBondContact O-N 3.14Å; Y356-T359 PolarHBondContact O-N 2.87Å; Y356-T359 PolarHBondContact O-OG1 3.21Å; Y356-L360 HydrophobicContact CE1-CD1 4Å; Y356-L360 HydrophobicContact CE2-CD2 4.03Å; Y356-R367 PolarHBondContact OH-NH2 2.86Å
357	F	93.2	Very high	90.9	Very high	3 Å²	3	53 Å²	53	1%	0.013	27%	0.268	C	S	.	.	H	α-helix	trans	-63.9	-41.5	-174.9	-169.5	-91.9	0	0	0	112.5	I86 Q87 E90 F353 N354 Q355 T359 L360 F374 L393 F398	I86-F357 HydrophobicContact CG2-CE2 4.05Å; I86-F357 HydrophobicContact CG2-CZ 4.2Å; Q87-F357 HydrophobicContact CB-CE2 4.48Å; Q87-F357 HydrophobicContact CG-CD2 4.46Å; Q87-F357 HydrophobicContact CG-CE1 4.34Å; Q87-F357 HydrophobicContact CG-CE2 3.96Å; Q87-F357 HydrophobicContact CG-CZ 3.89Å; E90-F357 HydrophobicContact CB-CD2 4.09Å; E90-F357 HydrophobicContact CB-CE2 4.22Å; E90-F357 HydrophobicContact CG-CD2 4.25Å; E90-F357 HydrophobicContact CG-CE2 4.03Å; F353-F357 HydrophobicContact CD1-CB 4.49Å; F353-F357 HydrophobicContact CE1-CB 4.01Å; F353-F357 HydrophobicContact CE1-CD2 4.29Å; F353-F357 HydrophobicContact CE1-CG 4.28Å; F353-F357 HydrophobicContact CZ-CB 4.08Å; F353-F357 AromaticContact CZ-CD2 3.8Å; F353-F357 HydrophobicContact CZ-CD2 3.8Å; F353-F357 HydrophobicContact CZ-CG 4.2Å; F353-F357 WeakPolarHBondContact O-CB 3.34Å; F353-F357 PolarHBondContact O-N 2.95Å; N354-F357 PolarHBondContact O-N 3.19Å; Q355-F357 PolarHBondContact O-N 2.72Å; F357-T359 PolarHBondContact O-N 3.4Å; F357-L360 HydrophobicContact CD2-CD1 4.08Å; F357-L360 WeakPolarHBondContact O-CB 3.48Å; F357-L360 PolarHBondContact O-N 3.38Å; F357-F374 HydrophobicContact CE1-CE1 4.35Å; F357-F374 HydrophobicContact CE1-CZ 4.1Å; F357-F374 AromaticContact CZ-CE1 3.94Å; F357-F374 HydrophobicContact CZ-CE1 3.94Å; F357-F374 AromaticContact CZ-CZ 3.83Å; F357-F374 HydrophobicContact CZ-CZ 3.83Å; F357-L393 HydrophobicContact CD1-CD1 4.24Å; F357-L393 HydrophobicContact CE1-CD1 4.07Å; F357-L393 WeakPolarHBondContact O-CD1 3.03Å; F357-F398 HydrophobicContact CB-CE2 4.41Å; F357-F398 HydrophobicContact CB-CZ 4.29Å; F357-F398 AromaticContact CD1-CD2 3.95Å; F357-F398 HydrophobicContact CD1-CD2 3.95Å; F357-F398 AromaticContact CD1-CE2 3.28Å; F357-F398 HydrophobicContact CD1-CE2 3.28Å; F357-F398 AromaticContact CD1-CZ 3.98Å; F357-F398 HydrophobicContact CD1-CZ 3.98Å; F357-F398 HydrophobicContact CE1-CD2 4.32Å; F357-F398 AromaticContact CE1-CE2 3.75Å; F357-F398 HydrophobicContact CE1-CE2 3.75Å; F357-F398 HydrophobicContact CG-CE2 4.02Å; F357-F398 HydrophobicContact CG-CZ 4.29Å
358	T	91.1	Very high	91.2	Very high	18 Å²	18	51.8 Å²	51.8	11%	0.11	26%	0.26	C	S	.	.	H	α-helix	trans	-67.8	-22.2	179.8	56.2	0	0	0	0	113.9	N354 Q355 Y356 L360 H394 F398	N354-T358 WeakPolarHBondContact O-CB 3.03Å; N354-T358 VanDerWaalsContact O-CG2 3.26Å; N354-T358 WeakPolarHBondContact O-CG2 3.43Å; N354-T358 PolarHBondContact O-N 3.14Å; N354-T358 PolarHBondContact O-OG1 3.12Å; Q355-T358 PolarHBondContact O-N 3.16Å; Q355-T358 PolarHBondContact O-OG1 3.11Å; Y356-T358 PolarHBondContact O-N 3.14Å; T358-L360 VanDerWaalsContact C-N 3.33Å; T358-H394 VanDerWaalsContact CB-CE1 3.44Å; T358-H394 WeakPolarHBondContact CB-CE1 3.36Å; T358-H394 PolarHBondContact OG1-CE1 2.89Å; T358-F398 HydrophobicContact CG2-CB 4.25Å; T358-F398 HydrophobicContact CG2-CD1 4.47Å; T358-F398 HydrophobicContact CG2-CD2 4.46Å; T358-F398 HydrophobicContact CG2-CG 4.13Å
359	T	91.9	Very high	91.4	Very high	87 Å²	87	52.5 Å²	52.5	53%	0.534	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-10.3	176	64.7	0	0	0	0	113.6	Q355 Y356 F357	Q355-T359 WeakPolarHBondContact O-CG2 3.08Å; Q355-T359 PolarHBondContact O-N 2.76Å; Y356-T359 PolarHBondContact O-N 2.87Å; Y356-T359 PolarHBondContact O-OG1 3.21Å; F357-T359 PolarHBondContact O-N 3.4Å
360	L	92.2	Very high	91.8	Very high	14 Å²	14	48.1 Å²	48.1	7%	0.073	25%	0.247	C	C	.	.			trans	-70.9	140.2	-179.2	-63.4	176.9	0	0	0	111.5	E90 Y356 F357 T358 N365 F371	E90-L360 HydrophobicContact CG-CD1 4.11Å; Y356-L360 HydrophobicContact CE1-CD1 4Å; Y356-L360 HydrophobicContact CE2-CD2 4.03Å; F357-L360 HydrophobicContact CD2-CD1 4.08Å; F357-L360 WeakPolarHBondContact O-CB 3.48Å; F357-L360 PolarHBondContact O-N 3.38Å; T358-L360 VanDerWaalsContact C-N 3.33Å; L360-N365 HydrophobicContact CD2-CB 4.4Å; L360-F371 HydrophobicContact CB-CE1 4.07Å; L360-F371 HydrophobicContact CB-CE2 3.99Å; L360-F371 HydrophobicContact CB-CZ 3.42Å; L360-F371 VanDerWaalsContact CB-CZ 3.42Å; L360-F371 HydrophobicContact CD1-CE2 3.9Å; L360-F371 HydrophobicContact CD1-CZ 4.22Å; L360-F371 HydrophobicContact CG-CZ 4.47Å
361	H	90.9	Very high	91.9	Very high	44 Å²	44	47.9 Å²	47.9	20%	0.204	25%	0.246	C	C	.	.			trans	-135.5	145.2	178.7	-162	-90.2	0	0	0	110.3	Y363 N364 N365 W375 G389	H361-Y363 AromaticContact CE1-CD2 3.14Å; H361-Y363 WeakPolarHBondContact CE1-CD2 3.08Å; H361-Y363 AromaticContact CE1-CE2 3.44Å; H361-Y363 VanDerWaalsContact CE1-CE2 3.44Å; H361-Y363 WeakPolarHBondContact CE1-CE2 3.4Å; H361-Y363 AromaticContact ND1-CD2 3.22Å; H361-Y363 WeakPolarHBondContact ND1-CD2 3.21Å; H361-Y363 AromaticContact ND1-CE2 3.99Å; H361-Y363 AromaticContact ND1-CG 3.77Å; H361-Y363 PolarHBondContact ND1-N 2.77Å; H361-Y363 PolarHBondContact O-N 3.44Å; H361-N364 HydrophobicContact CB-CB 4.24Å; H361-N364 PolarHBondContact O-N 3.19Å; H361-N365 PolarHBondContact O-N 3.49Å; H361-W375 AromaticContact CD2-CH2 3.81Å; H361-W375 AromaticContact NE2-CZ2 3.92Å; H361-G389 PolarHBondContact CE1-O 3.4Å; H361-G389 VanDerWaalsContact CE1-O 3.24Å; H361-G389 PolarHBondContact NE2-O 3.25Å; H361-G389 VanDerWaalsContact NE2-O 3.11Å
362	P	90.4	Very high	91.9	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-23.2	178.8	-30	35.8	0	0	0	116	F371 R372 W375 L383	P362-F371 HydrophobicContact CG-CD1 4.39Å; P362-F371 HydrophobicContact CG-CE1 4.34Å; P362-R372 HydrophobicContact CB-CG 4.33Å; P362-W375 VanDerWaalsContact CD-CE3 3.47Å; P362-W375 HydrophobicContact CG-CB 3.64Å; P362-W375 HydrophobicContact CG-CD2 3.32Å; P362-W375 HydrophobicContact CG-CE3 3.64Å; P362-W375 HydrophobicContact CG-CG 3.32Å; P362-W375 HydrophobicContact CG-CZ3 4.35Å; P362-L383 HydrophobicContact CB-CD1 3.97Å; P362-L383 HydrophobicContact CB-CD2 4.24Å; P362-L383 HydrophobicContact CG-CD1 4.31Å; P362-L383 HydrophobicContact CG-CD2 4.2Å
363	Y	87.6	Confident	92	Very high	129 Å²	129	50 Å²	50	51%	0.506	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-22.7	177.3	-55.6	-52.4	0	0	0	113.4	H361	H361-Y363 AromaticContact CE1-CD2 3.14Å; H361-Y363 WeakPolarHBondContact CE1-CD2 3.08Å; H361-Y363 AromaticContact CE1-CE2 3.44Å; H361-Y363 VanDerWaalsContact CE1-CE2 3.44Å; H361-Y363 WeakPolarHBondContact CE1-CE2 3.4Å; H361-Y363 AromaticContact ND1-CD2 3.22Å; H361-Y363 WeakPolarHBondContact ND1-CD2 3.21Å; H361-Y363 AromaticContact ND1-CE2 3.99Å; H361-Y363 AromaticContact ND1-CG 3.77Å; H361-Y363 PolarHBondContact ND1-N 2.77Å; H361-Y363 PolarHBondContact O-N 3.44Å
364	N	89.4	Confident	91.9	Very high	122 Å²	122	50.2 Å²	50.2	65%	0.652	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-40.5	178.3	-171.9	18.2	0	0	0	111.1	H361 T366	H361-N364 HydrophobicContact CB-CB 4.24Å; H361-N364 PolarHBondContact O-N 3.19Å; N364-T366 PolarHBondContact O-N 3.25Å; N364-T366 VanDerWaalsContact O-N 3.15Å
365	N	91.3	Very high	91.9	Very high	8 Å²	8	48.4 Å²	48.4	4%	0.043	24%	0.235	C	C	.	.			trans	-89.3	75.3	-178.5	-169.1	7.2	0	0	0	111.3	E90 L360 H361 R367 N368 F371	E90-N365 PolarHBondContact OE1-ND2 3.15Å; L360-N365 HydrophobicContact CD2-CB 4.4Å; H361-N365 PolarHBondContact O-N 3.49Å; N365-R367 WeakPolarHBondContact OD1-CG 3.39Å; N365-N368 PolarHBondContact OD1-N 2.84Å; N365-F371 HydrophobicContact CB-CD1 4.05Å; N365-F371 HydrophobicContact CB-CE1 4.41Å; N365-F371 HydrophobicContact CB-CG 4.26Å; N365-F371 WeakPolarHBondContact ND2-CD2 3.27Å; N365-F371 WeakPolarHBondContact ND2-CG 3.22Å
366	T	88.8	Confident	91.9	Very high	108 Å²	108	45.2 Å²	45.2	66%	0.663	22%	0.22	S	C	*	.			trans	-84.2	-15.3	174.3	55.2	0	0	0	0	113.1	N364 N368	N364-T366 PolarHBondContact O-N 3.25Å; N364-T366 VanDerWaalsContact O-N 3.15Å; T366-N368 VanDerWaalsContact C-N 3.29Å; T366-N368 PolarHBondContact O-N 3.19Å
367	R	92.4	Very high	91.7	Very high	67 Å²	67	46.2 Å²	46.2	25%	0.253	23%	0.228	S	C	.	.	S	Bend	trans	-69.7	-24.6	178.8	65.5	170.9	-179.4	-172.1	-0.2	113.6	L93 D97 Y356 N365	L93-R367 HydrophobicContact CD1-CG 4.48Å; D97-R367 VanDerWaalsContact CG-NH1 3.34Å; D97-R367 IonicContact OD1-NH1 3.29Å; D97-R367 PolarHBondContact OD1-NH1 3.03Å; D97-R367 VanDerWaalsContact OD1-NH1 3.16Å; D97-R367 IonicContact OD2-CZ 3.39Å; D97-R367 VanDerWaalsContact OD2-CZ 3.29Å; D97-R367 IonicContact OD2-NH1 2.71Å; D97-R367 PolarHBondContact OD2-NH1 2.68Å; D97-R367 IonicContact OD2-NH2 2.9Å; D97-R367 PolarHBondContact OD2-NH2 3.13Å; Y356-R367 PolarHBondContact OH-NH2 2.86Å; N365-R367 WeakPolarHBondContact OD1-CG 3.39Å
368	N	94.3	Very high	91.5	Very high	3 Å²	3	49.3 Å²	49.3	2%	0.016	24%	0.242	C	C	.	.			trans	-105.3	106.9	178.2	-179.6	-6.7	0	0	0	110.4	I53 E90 N365 T366 W370 F371	I53-N368 HydrophobicContact CD1-CB 4.19Å; E90-N368 WeakPolarHBondContact OE1-CB 3.49Å; E90-N368 PolarHBondContact OE1-ND2 3.12Å; N365-N368 PolarHBondContact OD1-N 2.84Å; T366-N368 VanDerWaalsContact C-N 3.29Å; T366-N368 PolarHBondContact O-N 3.19Å; N368-W370 PolarHBondContact O-N 3.46Å; N368-W370 PolarHBondContact OD1-N 3.3Å; N368-F371 HydrophobicContact CB-CB 4.01Å; N368-F371 WeakPolarHBondContact O-CB 3.42Å; N368-F371 PolarHBondContact O-N 3.5Å; N368-F371 PolarHBondContact OD1-N 2.56Å
369	P	93.5	Very high	91.4	Very high	46 Å²	46	50.1 Å²	50.1	30%	0.299	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-18.8	-176.2	29.5	-35.4	0	0	0	113.2	K51 I53	K51-P369 HydrophobicContact CB-CG 4.39Å; I53-P369 HydrophobicContact CG1-CG 4.14Å
370	W	94.9	Very high	91.3	Very high	7 Å²	7	53.4 Å²	53.4	3%	0.027	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-6.6	178.7	-55.9	-75	0	0	0	113.2	K51 I53 V67 H68 I80 I86 L89 D117 N368 R372 E373 F374	K51-W370 HydrophobicContact CB-CZ2 3.91Å; K51-W370 WeakPolarHBondContact O-CZ2 3.3Å; I53-W370 HydrophobicContact CD1-CE3 4.12Å; I53-W370 HydrophobicContact CD1-CZ3 3.77Å; I53-W370 HydrophobicContact CG1-CE3 4.35Å; I53-W370 HydrophobicContact CG1-CZ3 3.76Å; V67-W370 HydrophobicContact CG1-CB 3.81Å; V67-W370 HydrophobicContact CG1-CD2 3.92Å; V67-W370 HydrophobicContact CG1-CE3 4.39Å; V67-W370 HydrophobicContact CG1-CG 3.66Å; V67-W370 HydrophobicContact CG2-CD2 4.32Å; V67-W370 HydrophobicContact CG2-CE3 4.14Å; V67-W370 HydrophobicContact CG2-CZ3 4.31Å; H68-W370 AromaticContact CE1-CD1 3.64Å; H68-W370 AromaticContact CE1-NE1 3.88Å; I80-W370 HydrophobicContact CD1-CB 4.28Å; I86-W370 HydrophobicContact CD1-CB 3.91Å; L89-W370 HydrophobicContact CD1-CE3 3.82Å; L89-W370 HydrophobicContact CD1-CZ3 3.77Å; D117-W370 HydrophobicContact CB-CZ2 4.08Å; N368-W370 PolarHBondContact O-N 3.46Å; N368-W370 PolarHBondContact OD1-N 3.3Å; W370-R372 VanDerWaalsContact C-N 3.3Å; W370-R372 PolarHBondContact O-N 3.03Å; W370-E373 PolarHBondContact O-N 2.83Å; W370-F374 PolarHBondContact O-N 3.1Å
371	F	93.5	Very high	91.2	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-67.6	-31.6	-176.6	-163.1	-97.6	0	0	0	112.9	I86 L360 P362 N365 N368 F374 W375 L393	I86-F371 HydrophobicContact CG2-CD2 4.31Å; L360-F371 HydrophobicContact CB-CE1 4.07Å; L360-F371 HydrophobicContact CB-CE2 3.99Å; L360-F371 HydrophobicContact CB-CZ 3.42Å; L360-F371 VanDerWaalsContact CB-CZ 3.42Å; L360-F371 HydrophobicContact CD1-CE2 3.9Å; L360-F371 HydrophobicContact CD1-CZ 4.22Å; L360-F371 HydrophobicContact CG-CZ 4.47Å; P362-F371 HydrophobicContact CG-CD1 4.39Å; P362-F371 HydrophobicContact CG-CE1 4.34Å; N365-F371 HydrophobicContact CB-CD1 4.05Å; N365-F371 HydrophobicContact CB-CE1 4.41Å; N365-F371 HydrophobicContact CB-CG 4.26Å; N365-F371 WeakPolarHBondContact ND2-CD2 3.27Å; N365-F371 WeakPolarHBondContact ND2-CG 3.22Å; N368-F371 HydrophobicContact CB-CB 4.01Å; N368-F371 WeakPolarHBondContact O-CB 3.42Å; N368-F371 PolarHBondContact O-N 3.5Å; N368-F371 PolarHBondContact OD1-N 2.56Å; F371-F374 HydrophobicContact CD2-CD1 4.02Å; F371-F374 AromaticContact CE2-CD1 3.83Å; F371-F374 HydrophobicContact CE2-CD1 3.83Å; F371-F374 AromaticContact CE2-CE1 3.99Å; F371-F374 HydrophobicContact CE2-CE1 3.99Å; F371-F374 HydrophobicContact CZ-CD1 4.19Å; F371-F374 HydrophobicContact CZ-CE1 4.18Å; F371-F374 WeakPolarHBondContact O-CB 3.08Å; F371-F374 PolarHBondContact O-N 2.91Å; F371-W375 HydrophobicContact CE1-CE3 4.15Å; F371-W375 PolarHBondContact O-N 3.37Å; F371-L393 HydrophobicContact CZ-CD1 4.28Å
372	R	91.9	Very high	91.1	Very high	131 Å²	131	54.3 Å²	54.3	49%	0.494	27%	0.265	S	S	.	.	H	α-helix	trans	-64.4	-48.5	174.1	-69.7	-175.2	177.9	-176.2	1.1	111.7	P362 W370 F374 W375 E376 L383	P362-R372 HydrophobicContact CB-CG 4.33Å; W370-R372 VanDerWaalsContact C-N 3.3Å; W370-R372 PolarHBondContact O-N 3.03Å; R372-F374 VanDerWaalsContact C-N 3.29Å; R372-F374 PolarHBondContact O-N 2.85Å; R372-W375 WeakPolarHBondContact O-CB 3.13Å; R372-W375 PolarHBondContact O-N 2.85Å; R372-W375 VanDerWaalsContact O-N 3.16Å; R372-E376 WeakPolarHBondContact O-CG 3.41Å; R372-E376 PolarHBondContact O-N 3.16Å; R372-L383 HydrophobicContact CB-CD1 3.73Å; R372-L383 HydrophobicContact CG-CD1 3.92Å
373	E	92.4	Very high	91	Very high	60 Å²	60	55.7 Å²	55.7	28%	0.28	27%	0.273	S	S	.	.	H	α-helix	trans	-61.4	-39.7	176.4	179.5	176.4	177.3	0	0	111.6	K51 H68 I80 W370 W375 E376 N377	K51-E373 IonicContact NZ-OE2 3.74Å; H68-E373 IonicContact CD2-OE1 2.8Å; H68-E373 IonicContact NE2-OE1 3.51Å; H68-E373 PolarHBondContact NE2-OE1 3.33Å; H68-E373 VanDerWaalsContact NE2-OE1 3.07Å; H68-E373 IonicContact NE2-OE2 3.82Å; H68-E373 PolarHBondContact NE2-OE2 3.26Å; I80-E373 HydrophobicContact CB-CG 4.48Å; I80-E373 HydrophobicContact CD1-CB 4.08Å; I80-E373 HydrophobicContact CD1-CG 3.91Å; W370-E373 PolarHBondContact O-N 2.83Å; E373-W375 VanDerWaalsContact C-N 3.33Å; E373-W375 PolarHBondContact O-N 3.11Å; E373-E376 PolarHBondContact O-N 3.24Å; E373-N377 WeakPolarHBondContact O-CB 3.11Å; E373-N377 PolarHBondContact O-N 3.03Å
374	F	92.8	Very high	90.7	Very high	6 Å²	6	57.7 Å²	57.7	3%	0.026	29%	0.286	C	S	.	.	H	α-helix	trans	-59.2	-45.7	173.8	160.5	-106.6	0	0	0	111.7	I80 I86 F357 W370 F371 R372 N377 Q378 L393	I80-F374 HydrophobicContact CD1-CB 3.78Å; I86-F374 HydrophobicContact CB-CD2 4.39Å; I86-F374 HydrophobicContact CB-CG 4.48Å; I86-F374 HydrophobicContact CD1-CB 4.4Å; I86-F374 HydrophobicContact CG1-CB 4.05Å; I86-F374 HydrophobicContact CG1-CD2 4.29Å; I86-F374 HydrophobicContact CG1-CG 4.25Å; I86-F374 HydrophobicContact CG2-CB 4.47Å; I86-F374 HydrophobicContact CG2-CD1 4.22Å; I86-F374 HydrophobicContact CG2-CD2 4.32Å; I86-F374 HydrophobicContact CG2-CG 4.05Å; F357-F374 HydrophobicContact CE1-CE1 4.35Å; F357-F374 HydrophobicContact CE1-CZ 4.1Å; F357-F374 AromaticContact CZ-CE1 3.94Å; F357-F374 HydrophobicContact CZ-CE1 3.94Å; F357-F374 AromaticContact CZ-CZ 3.83Å; F357-F374 HydrophobicContact CZ-CZ 3.83Å; W370-F374 PolarHBondContact O-N 3.1Å; F371-F374 HydrophobicContact CD2-CD1 4.02Å; F371-F374 AromaticContact CE2-CD1 3.83Å; F371-F374 HydrophobicContact CE2-CD1 3.83Å; F371-F374 AromaticContact CE2-CE1 3.99Å; F371-F374 HydrophobicContact CE2-CE1 3.99Å; F371-F374 HydrophobicContact CZ-CD1 4.19Å; F371-F374 HydrophobicContact CZ-CE1 4.18Å; F371-F374 WeakPolarHBondContact O-CB 3.08Å; F371-F374 PolarHBondContact O-N 2.91Å; R372-F374 VanDerWaalsContact C-N 3.29Å; R372-F374 PolarHBondContact O-N 2.85Å; F374-N377 PolarHBondContact O-N 3.08Å; F374-Q378 HydrophobicContact CE2-CB 4.19Å; F374-Q378 HydrophobicContact CE2-CG 4.47Å; F374-Q378 HydrophobicContact CZ-CB 4.33Å; F374-Q378 HydrophobicContact CZ-CG 4.35Å; F374-Q378 VanDerWaalsContact O-CB 3.22Å; F374-Q378 WeakPolarHBondContact O-CB 3.43Å; F374-Q378 PolarHBondContact O-N 2.73Å; F374-L393 HydrophobicContact CE1-CD2 4.2Å; F374-L393 HydrophobicContact CZ-CD2 4.24Å
375	W	91.8	Very high	90.4	Very high	1 Å²	1	56.8 Å²	56.8	0%	0.004	28%	0.281	C	S	.	.	H	α-helix	trans	-62.1	-47.6	-180	-168.3	-89.3	0	0	0	112.1	H361 P362 F371 R372 E373 N377 Q378 F379 L383 C388 H391 L393	H361-W375 AromaticContact CD2-CH2 3.81Å; H361-W375 AromaticContact NE2-CZ2 3.92Å; P362-W375 VanDerWaalsContact CD-CE3 3.47Å; P362-W375 HydrophobicContact CG-CB 3.64Å; P362-W375 HydrophobicContact CG-CD2 3.32Å; P362-W375 HydrophobicContact CG-CE3 3.64Å; P362-W375 HydrophobicContact CG-CG 3.32Å; P362-W375 HydrophobicContact CG-CZ3 4.35Å; F371-W375 HydrophobicContact CE1-CE3 4.15Å; F371-W375 PolarHBondContact O-N 3.37Å; R372-W375 WeakPolarHBondContact O-CB 3.13Å; R372-W375 PolarHBondContact O-N 2.85Å; R372-W375 VanDerWaalsContact O-N 3.16Å; E373-W375 VanDerWaalsContact C-N 3.33Å; E373-W375 PolarHBondContact O-N 3.11Å; W375-N377 VanDerWaalsContact C-N 3.33Å; W375-N377 PolarHBondContact O-N 2.83Å; W375-Q378 PolarHBondContact O-N 3.1Å; W375-F379 AromaticContact CD1-CD2 3.9Å; W375-F379 AromaticContact CD2-CD2 3.78Å; W375-F379 HydrophobicContact CD2-CD2 3.78Å; W375-F379 AromaticContact CD2-CE2 3.63Å; W375-F379 HydrophobicContact CD2-CE2 3.63Å; W375-F379 AromaticContact CE2-CD2 3.59Å; W375-F379 AromaticContact CE2-CE2 3.46Å; W375-F379 VanDerWaalsContact CE2-CE2 3.46Å; W375-F379 HydrophobicContact CE3-CD2 4.41Å; W375-F379 AromaticContact CE3-CE2 3.85Å; W375-F379 HydrophobicContact CE3-CE2 3.85Å; W375-F379 HydrophobicContact CG-CD2 4.02Å; W375-F379 HydrophobicContact CG-CE2 4.34Å; W375-F379 AromaticContact CH2-CE2 3.8Å; W375-F379 HydrophobicContact CH2-CE2 3.8Å; W375-F379 HydrophobicContact CH2-CZ 4.34Å; W375-F379 HydrophobicContact CZ2-CD2 4.09Å; W375-F379 AromaticContact CZ2-CE2 3.55Å; W375-F379 HydrophobicContact CZ2-CE2 3.55Å; W375-F379 HydrophobicContact CZ2-CZ 4.25Å; W375-F379 AromaticContact CZ3-CE2 3.95Å; W375-F379 HydrophobicContact CZ3-CE2 3.95Å; W375-F379 AromaticContact NE1-CD2 3.64Å; W375-F379 WeakPolarHBondContact O-CD2 3.28Å; W375-F379 PolarHBondContact O-N 3.18Å; W375-L383 HydrophobicContact CG-CD2 4.49Å; W375-C388 PolarHBondContact NE1-O 2.91Å; W375-H391 WeakPolarHBondContact CH2-O 3.42Å; W375-H391 HydrophobicContact CZ2-CB 3.76Å; W375-H391 WeakPolarHBondContact CZ2-O 3.13Å; W375-L393 HydrophobicContact CE3-CD2 4.41Å; W375-L393 HydrophobicContact CE3-CG 4.38Å; W375-L393 HydrophobicContact CH2-CG 4.24Å; W375-L393 HydrophobicContact CZ3-CD1 3.97Å; W375-L393 HydrophobicContact CZ3-CD2 4.06Å; W375-L393 HydrophobicContact CZ3-CG 3.6Å
376	E	91.5	Very high	89.8	Confident	61 Å²	61	63.4 Å²	63.4	29%	0.285	32%	0.316	S	S	.	.	H	α-helix	trans	-60	-43.2	177.2	-69.2	-177.3	150.9	0	0	111.3	R372 E373 Q380 C381 L383	R372-E376 WeakPolarHBondContact O-CG 3.41Å; R372-E376 PolarHBondContact O-N 3.16Å; E373-E376 PolarHBondContact O-N 3.24Å; E376-Q380 WeakPolarHBondContact O-CA 3.42Å; E376-Q380 PolarHBondContact O-N 2.8Å; E376-C381 WeakPolarHBondContact CA-O 3.4Å; E376-C381 WeakPolarHBondContact CB-O 3.17Å; E376-C381 VanDerWaalsContact CG-O 3.31Å; E376-C381 WeakPolarHBondContact CG-O 3.47Å; E376-C381 PolarHBondContact O-N 2.87Å; E376-L383 HydrophobicContact CG-CB 4.36Å; E376-L383 HydrophobicContact CG-CD1 4.06Å; E376-L383 HydrophobicContact CG-CG 3.84Å; E376-L383 WeakPolarHBondContact OE1-CB 3.45Å; E376-L383 PolarHBondContact OE1-N 2.04Å
377	N	89.8	Confident	89.5	Confident	56 Å²	56	63 Å²	63	30%	0.299	31%	0.313	S	S	.	.	H	α-helix	trans	-69.7	-35.4	176.3	-177.8	62.1	0	0	0	113.1	I80 E373 F374 W375 Q380	I80-N377 HydrophobicContact CG2-CB 3.6Å; I80-N377 VanDerWaalsContact CG2-ND2 3.28Å; I80-N377 WeakPolarHBondContact CG2-ND2 3.38Å; E373-N377 WeakPolarHBondContact O-CB 3.11Å; E373-N377 PolarHBondContact O-N 3.03Å; F374-N377 PolarHBondContact O-N 3.08Å; W375-N377 VanDerWaalsContact C-N 3.33Å; W375-N377 PolarHBondContact O-N 2.83Å; N377-Q380 PolarHBondContact O-NE2 3.39Å
378	Q	88.3	Confident	89.1	Confident	68 Å²	68	60 Å²	60	32%	0.318	30%	0.302	S	S	.	.	H	α-helix	trans	-70.2	-43.1	-178.7	-177.7	63.9	23.8	0	0	111.9	F374 W375	F374-Q378 HydrophobicContact CE2-CB 4.19Å; F374-Q378 HydrophobicContact CE2-CG 4.47Å; F374-Q378 HydrophobicContact CZ-CB 4.33Å; F374-Q378 HydrophobicContact CZ-CG 4.35Å; F374-Q378 VanDerWaalsContact O-CB 3.22Å; F374-Q378 WeakPolarHBondContact O-CB 3.43Å; F374-Q378 PolarHBondContact O-N 2.73Å; W375-Q378 PolarHBondContact O-N 3.1Å
379	F	89.8	Confident	88.5	Confident	34 Å²	34	60.4 Å²	60.4	15%	0.149	31%	0.307	C	S	.	.	H	α-helix	trans	-96.8	-2.7	-178.1	-66.9	-73.8	0	0	0	113.6	W375 C381 H391 L393 V396	W375-F379 AromaticContact CD1-CD2 3.9Å; W375-F379 AromaticContact CD2-CD2 3.78Å; W375-F379 HydrophobicContact CD2-CD2 3.78Å; W375-F379 AromaticContact CD2-CE2 3.63Å; W375-F379 HydrophobicContact CD2-CE2 3.63Å; W375-F379 AromaticContact CE2-CD2 3.59Å; W375-F379 AromaticContact CE2-CE2 3.46Å; W375-F379 VanDerWaalsContact CE2-CE2 3.46Å; W375-F379 HydrophobicContact CE3-CD2 4.41Å; W375-F379 AromaticContact CE3-CE2 3.85Å; W375-F379 HydrophobicContact CE3-CE2 3.85Å; W375-F379 HydrophobicContact CG-CD2 4.02Å; W375-F379 HydrophobicContact CG-CE2 4.34Å; W375-F379 AromaticContact CH2-CE2 3.8Å; W375-F379 HydrophobicContact CH2-CE2 3.8Å; W375-F379 HydrophobicContact CH2-CZ 4.34Å; W375-F379 HydrophobicContact CZ2-CD2 4.09Å; W375-F379 AromaticContact CZ2-CE2 3.55Å; W375-F379 HydrophobicContact CZ2-CE2 3.55Å; W375-F379 HydrophobicContact CZ2-CZ 4.25Å; W375-F379 AromaticContact CZ3-CE2 3.95Å; W375-F379 HydrophobicContact CZ3-CE2 3.95Å; W375-F379 AromaticContact NE1-CD2 3.64Å; W375-F379 WeakPolarHBondContact O-CD2 3.28Å; W375-F379 PolarHBondContact O-N 3.18Å; F379-C381 VanDerWaalsContact C-N 3.26Å; F379-C381 WeakPolarHBondContact CB-SG 3.47Å; F379-C381 PolarHBondContact O-N 2.9Å; F379-H391 HydrophobicContact CD1-CB 3.83Å; F379-H391 AromaticContact CD1-CG 3.69Å; F379-H391 AromaticContact CD1-ND1 3.96Å; F379-H391 HydrophobicContact CD2-CB 4.08Å; F379-H391 HydrophobicContact CE1-CB 3.7Å; F379-H391 AromaticContact CE1-CG 3.97Å; F379-H391 HydrophobicContact CE2-CB 3.98Å; F379-H391 HydrophobicContact CG-CB 4.02Å; F379-H391 HydrophobicContact CZ-CB 3.79Å; F379-L393 HydrophobicContact CE2-CD2 4.13Å; F379-L393 HydrophobicContact CZ-CD2 4.19Å; F379-V396 HydrophobicContact CD1-CG2 4.39Å; F379-V396 HydrophobicContact CE1-CG2 3.59Å; F379-V396 HydrophobicContact CZ-CG2 4.15Å
380	Q	89.9	Confident	88	Confident	157 Å²	157	66.2 Å²	66.2	73%	0.734	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	45.7	-176.8	-61	-70.8	-53.2	0	0	111.6	E376 N377	E376-Q380 WeakPolarHBondContact O-CA 3.42Å; E376-Q380 PolarHBondContact O-N 2.8Å; N377-Q380 PolarHBondContact O-NE2 3.39Å
381	C	90.2	Very high	87.6	Confident	34 Å²	34	68.6 Å²	68.6	23%	0.23	34%	0.339	C	S	.	.			trans	-136.1	167.3	-178.8	63	0	0	0	0	111.4	E376 F379 C388	E376-C381 WeakPolarHBondContact CA-O 3.4Å; E376-C381 WeakPolarHBondContact CB-O 3.17Å; E376-C381 VanDerWaalsContact CG-O 3.31Å; E376-C381 WeakPolarHBondContact CG-O 3.47Å; E376-C381 PolarHBondContact O-N 2.87Å; F379-C381 VanDerWaalsContact C-N 3.26Å; F379-C381 WeakPolarHBondContact CB-SG 3.47Å; F379-C381 PolarHBondContact O-N 2.9Å; C381-C388 VanDerWaalsContact C-SG 3.51Å; C381-C388 HydrophobicContact CB-CB 3.66Å; C381-C388 WeakPolarHBondContact CB-SG 3.08Å; C381-C388 VanDerWaalsContact SG-CA 3.53Å; C381-C388 WeakPolarHBondContact SG-CB 3.43Å; C381-C388 CovalentContact SG-SG 2.03Å; C381-C388 PolarHBondContact SG-SG 2.83Å
382	S	89.8	Confident	87.2	Confident	42 Å²	42	70.3 Å²	70.3	29%	0.294	35%	0.351	S	S	.	.			trans	-104.7	132.6	174.6	177.2	0	0	0	0	110.1	H384 D385 C388	S382-H384 PolarHBondContact O-N 3.08Å; S382-H384 VanDerWaalsContact O-N 3.12Å; S382-H384 WeakPolarHBondContact OG-CB 3.33Å; S382-H384 PolarHBondContact OG-N 2.95Å; S382-H384 PolarHBondContact OG-ND1 2.76Å; S382-D385 WeakPolarHBondContact O-CB 3.45Å; S382-D385 PolarHBondContact O-N 2.88Å; S382-C388 VanDerWaalsContact C-SG 3.51Å; S382-C388 WeakPolarHBondContact O-CB 3.41Å
383	L	86.5	Confident	86.9	Confident	29 Å²	29	64.5 Å²	64.5	15%	0.152	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-7.5	176.2	-76.2	169.1	0	0	0	113.1	P362 R372 W375 E376 D385 C388	P362-L383 HydrophobicContact CB-CD1 3.97Å; P362-L383 HydrophobicContact CB-CD2 4.24Å; P362-L383 HydrophobicContact CG-CD1 4.31Å; P362-L383 HydrophobicContact CG-CD2 4.2Å; R372-L383 HydrophobicContact CB-CD1 3.73Å; R372-L383 HydrophobicContact CG-CD1 3.92Å; W375-L383 HydrophobicContact CG-CD2 4.49Å; E376-L383 HydrophobicContact CG-CB 4.36Å; E376-L383 HydrophobicContact CG-CD1 4.06Å; E376-L383 HydrophobicContact CG-CG 3.84Å; E376-L383 WeakPolarHBondContact OE1-CB 3.45Å; E376-L383 PolarHBondContact OE1-N 2.04Å; L383-D385 PolarHBondContact O-N 2.99Å; L383-C388 HydrophobicContact CD2-CB 4.49Å
384	H	82.9	Confident	86.6	Confident	172 Å²	172	67.7 Å²	67.7	80%	0.796	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-26.7	167.2	-62.4	77.3	0	0	0	111.6	S382	S382-H384 PolarHBondContact O-N 3.08Å; S382-H384 VanDerWaalsContact O-N 3.12Å; S382-H384 WeakPolarHBondContact OG-CB 3.33Å; S382-H384 PolarHBondContact OG-N 2.95Å; S382-H384 PolarHBondContact OG-ND1 2.76Å
385	D	82.5	Confident	86	Confident	102 Å²	102	73.3 Å²	73.3	55%	0.545	37%	0.371	S	S	.	.	S	Bend	trans	-87.1	122.3	173.6	-63.8	-40.9	0	0	0	110.3	S382 L383 V387 C388	S382-D385 WeakPolarHBondContact O-CB 3.45Å; S382-D385 PolarHBondContact O-N 2.88Å; L383-D385 PolarHBondContact O-N 2.99Å; D385-V387 PolarHBondContact O-N 3.13Å; D385-C388 WeakPolarHBondContact O-CB 3.48Å; D385-C388 PolarHBondContact O-N 3.13Å
386	L	78.4	Confident	85.3	Confident	147 Å²	147	75.4 Å²	75.4	77%	0.77	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-20.3	177	-87	134.4	0	0	0	114
387	V	82.1	Confident	84.7	Confident	101 Å²	101	77.7 Å²	77.7	61%	0.612	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-38.7	176.3	-176.8	0	0	0	0	111.1	D385 G389 K390	D385-V387 PolarHBondContact O-N 3.13Å; V387-G389 VanDerWaalsContact C-N 3.27Å; V387-G389 PolarHBondContact O-N 3.11Å; V387-K390 PolarHBondContact O-N 2.85Å
388	C	83.9	Confident	84.2	Confident	3 Å²	3	77.7 Å²	77.7	2%	0.02	40%	0.401	C	S	.	.	G	3₁₀ helix	trans	-63.8	-35.2	-177.9	-171	0	0	0	0	111.7	W375 C381 S382 L383 D385 K390	W375-C388 PolarHBondContact NE1-O 2.91Å; C381-C388 VanDerWaalsContact C-SG 3.51Å; C381-C388 HydrophobicContact CB-CB 3.66Å; C381-C388 WeakPolarHBondContact CB-SG 3.08Å; C381-C388 VanDerWaalsContact SG-CA 3.53Å; C381-C388 WeakPolarHBondContact SG-CB 3.43Å; C381-C388 CovalentContact SG-SG 2.03Å; C381-C388 PolarHBondContact SG-SG 2.83Å; S382-C388 VanDerWaalsContact C-SG 3.51Å; S382-C388 WeakPolarHBondContact O-CB 3.41Å; L383-C388 HydrophobicContact CD2-CB 4.49Å; D385-C388 WeakPolarHBondContact O-CB 3.48Å; D385-C388 PolarHBondContact O-N 3.13Å; C388-K390 VanDerWaalsContact C-N 3.27Å; C388-K390 PolarHBondContact O-N 3.35Å
389	G	81.5	Confident	83.8	Confident	11 Å²	11	78.5 Å²	78.5	11%	0.113	41%	0.405	C	S	.	.	G	3₁₀ helix	trans	-79	3.4	176	0	0	0	0	0	115.7	H361 V387	H361-G389 PolarHBondContact CE1-O 3.4Å; H361-G389 VanDerWaalsContact CE1-O 3.24Å; H361-G389 PolarHBondContact NE2-O 3.25Å; H361-G389 VanDerWaalsContact NE2-O 3.11Å; V387-G389 VanDerWaalsContact C-N 3.27Å; V387-G389 PolarHBondContact O-N 3.11Å
390	K	83.8	Confident	83.5	Confident	168 Å²	168	78.4 Å²	78.4	73%	0.73	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-98.7	-12.3	173.8	-71.1	-178.9	-178.9	-178.3	0	113.5	V387 C388	V387-K390 PolarHBondContact O-N 2.85Å; C388-K390 VanDerWaalsContact C-N 3.27Å; C388-K390 PolarHBondContact O-N 3.35Å
391	H	85.9	Confident	83.5	Confident	57 Å²	57	71.5 Å²	71.5	26%	0.264	38%	0.376	S	S	.	.			trans	-60.9	160.5	176.3	-77.3	-61.5	0	0	0	111.5	W375 F379 E395	W375-H391 WeakPolarHBondContact CH2-O 3.42Å; W375-H391 HydrophobicContact CZ2-CB 3.76Å; W375-H391 WeakPolarHBondContact CZ2-O 3.13Å; F379-H391 HydrophobicContact CD1-CB 3.83Å; F379-H391 AromaticContact CD1-CG 3.69Å; F379-H391 AromaticContact CD1-ND1 3.96Å; F379-H391 HydrophobicContact CD2-CB 4.08Å; F379-H391 HydrophobicContact CE1-CB 3.7Å; F379-H391 AromaticContact CE1-CG 3.97Å; F379-H391 HydrophobicContact CE2-CB 3.98Å; F379-H391 HydrophobicContact CG-CB 4.02Å; F379-H391 HydrophobicContact CZ-CB 3.79Å; H391-E395 IonicContact CG-OE2 3.94Å; H391-E395 IonicContact ND1-OE2 3.1Å; H391-E395 PolarHBondContact ND1-OE2 3.1Å; H391-E395 VanDerWaalsContact ND1-OE2 3.1Å
392	S	86.3	Confident	83.3	Confident	36 Å²	36	70.6 Å²	70.6	25%	0.252	37%	0.37	S	S	.	.			trans	-133.4	142.1	175	178.5	0	0	0	0	110.4	H394 E395	S392-H394 PolarHBondContact O-N 2.85Å; S392-H394 VanDerWaalsContact O-N 3.13Å; S392-H394 PolarHBondContact OG-CD2 3.15Å; S392-H394 PolarHBondContact OG-N 3.14Å; S392-E395 PolarHBondContact N-OE2 2.79Å; S392-E395 VanDerWaalsContact O-CB 3.32Å; S392-E395 WeakPolarHBondContact O-CB 3.22Å; S392-E395 PolarHBondContact O-N 2.04Å
393	L	85.8	Confident	83.4	Confident	10 Å²	10	69.1 Å²	69.1	5%	0.052	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-13.4	174.2	-69.4	170.7	0	0	0	112.5	F357 F371 F374 W375 F379 E395	F357-L393 HydrophobicContact CD1-CD1 4.24Å; F357-L393 HydrophobicContact CE1-CD1 4.07Å; F357-L393 WeakPolarHBondContact O-CD1 3.03Å; F371-L393 HydrophobicContact CZ-CD1 4.28Å; F374-L393 HydrophobicContact CE1-CD2 4.2Å; F374-L393 HydrophobicContact CZ-CD2 4.24Å; W375-L393 HydrophobicContact CE3-CD2 4.41Å; W375-L393 HydrophobicContact CE3-CG 4.38Å; W375-L393 HydrophobicContact CH2-CG 4.24Å; W375-L393 HydrophobicContact CZ3-CD1 3.97Å; W375-L393 HydrophobicContact CZ3-CD2 4.06Å; W375-L393 HydrophobicContact CZ3-CG 3.6Å; F379-L393 HydrophobicContact CE2-CD2 4.13Å; F379-L393 HydrophobicContact CZ-CD2 4.19Å; L393-E395 VanDerWaalsContact C-N 3.31Å
394	H	84.8	Confident	83.8	Confident	127 Å²	127	68 Å²	68	59%	0.588	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-21.1	170.1	-65.1	-63.9	0	0	0	113.6	T358 S392 V396	T358-H394 VanDerWaalsContact CB-CE1 3.44Å; T358-H394 WeakPolarHBondContact CB-CE1 3.36Å; T358-H394 PolarHBondContact OG1-CE1 2.89Å; S392-H394 PolarHBondContact O-N 2.85Å; S392-H394 VanDerWaalsContact O-N 3.13Å; S392-H394 PolarHBondContact OG-CD2 3.15Å; S392-H394 PolarHBondContact OG-N 3.14Å; H394-V396 VanDerWaalsContact C-N 3.3Å
395	E	80	Confident	84.3	Confident	123 Å²	123	60 Å²	60	58%	0.575	32%	0.315	S	S	*	.	S	Bend	trans	-75.6	-20.6	-179.1	-63.9	172.4	175.6	0	0	112.5	H391 S392 L393	H391-E395 IonicContact CG-OE2 3.94Å; H391-E395 IonicContact ND1-OE2 3.1Å; H391-E395 PolarHBondContact ND1-OE2 3.1Å; H391-E395 VanDerWaalsContact ND1-OE2 3.1Å; S392-E395 PolarHBondContact N-OE2 2.79Å; S392-E395 VanDerWaalsContact O-CB 3.32Å; S392-E395 WeakPolarHBondContact O-CB 3.22Å; S392-E395 PolarHBondContact O-N 2.04Å; L393-E395 VanDerWaalsContact C-N 3.31Å
396	V	78.6	Confident	85	Confident	45 Å²	45	55.8 Å²	55.8	27%	0.273	29%	0.292	S	S	.	.	S	Bend	trans	-108	139.5	-177.9	-171.9	0	0	0	0	109.1	F379 H394 F398	F379-V396 HydrophobicContact CD1-CG2 4.39Å; F379-V396 HydrophobicContact CE1-CG2 3.59Å; F379-V396 HydrophobicContact CZ-CG2 4.15Å; H394-V396 VanDerWaalsContact C-N 3.3Å; V396-F398 PolarHBondContact O-N 2.67Å
397	P	77.3	Confident	85.9	Confident	110 Å²	110	48.8 Å²	48.8	71%	0.714	26%	0.255	S	S	*	.			trans	-59.4	106.3	174.1	23	-33.7	0	0	0	110.6	Q399	P397-Q399 PolarHBondContact O-N 3.15Å
398	F	80.1	Confident	86.6	Confident	55 Å²	55	44 Å²	44	24%	0.241	23%	0.226	C	C	.	.			trans	-71.8	117.2	177.9	179.2	-107.9	0	0	0	110.2	F353 N354 F357 T358 V396 P400	F353-F398 HydrophobicContact CD1-CZ 4.47Å; F353-F398 HydrophobicContact CE1-CZ 4.15Å; N354-F398 HydrophobicContact CB-CD1 4.07Å; N354-F398 HydrophobicContact CB-CE1 3.75Å; N354-F398 WeakPolarHBondContact OD1-CE1 3.28Å; F357-F398 HydrophobicContact CB-CE2 4.41Å; F357-F398 HydrophobicContact CB-CZ 4.29Å; F357-F398 AromaticContact CD1-CD2 3.95Å; F357-F398 HydrophobicContact CD1-CD2 3.95Å; F357-F398 AromaticContact CD1-CE2 3.28Å; F357-F398 HydrophobicContact CD1-CE2 3.28Å; F357-F398 AromaticContact CD1-CZ 3.98Å; F357-F398 HydrophobicContact CD1-CZ 3.98Å; F357-F398 HydrophobicContact CE1-CD2 4.32Å; F357-F398 AromaticContact CE1-CE2 3.75Å; F357-F398 HydrophobicContact CE1-CE2 3.75Å; F357-F398 HydrophobicContact CG-CE2 4.02Å; F357-F398 HydrophobicContact CG-CZ 4.29Å; T358-F398 HydrophobicContact CG2-CB 4.25Å; T358-F398 HydrophobicContact CG2-CD1 4.47Å; T358-F398 HydrophobicContact CG2-CD2 4.46Å; T358-F398 HydrophobicContact CG2-CG 4.13Å; V396-F398 PolarHBondContact O-N 2.67Å; F398-P400 HydrophobicContact CE1-CB 3.77Å; F398-P400 HydrophobicContact CE1-CG 4.24Å; F398-P400 HydrophobicContact CZ-CB 4.22Å; F398-P400 WeakPolarHBondContact O-CD 3.03Å
399	Q	79.9	Confident	87.1	Confident	85 Å²	85	44.1 Å²	44.1	40%	0.397	23%	0.226	S	C	.	.			trans	-106.8	103.3	173.9	-69.2	-174.9	-5	0	0	109	Q87 P397	Q87-Q399 PolarHBondContact NE2-O 3.18Å; Q87-Q399 VanDerWaalsContact NE2-O 3.14Å; P397-Q399 PolarHBondContact O-N 3.15Å
400	P	83.8	Confident	87.9	Confident	32 Å²	32	43.6 Å²	43.6	21%	0.208	22%	0.221	C	C	.	.			trans	-67.2	133.9	175.7	24.7	-33	0	0	0	111.4	Q349 F398 I404	Q349-P400 VanDerWaalsContact OE1-CB 3.23Å; F398-P400 HydrophobicContact CE1-CB 3.77Å; F398-P400 HydrophobicContact CE1-CG 4.24Å; F398-P400 HydrophobicContact CZ-CB 4.22Å; F398-P400 WeakPolarHBondContact O-CD 3.03Å; P400-I404 HydrophobicContact CB-CD1 4.3Å
401	E	88.6	Confident	88.6	Confident	13 Å²	13	35.6 Å²	35.6	6%	0.061	19%	0.186	C	C	.	.			trans	-72.3	136.5	176.5	-161.1	-84.1	158.6	0	0	111.7	Q83 R84 R88 K403 I404	Q83-E401 HydrophobicContact CB-CG 4.43Å; R84-E401 HydrophobicContact CG-CG 4.43Å; R88-E401 IonicContact CZ-OE1 3.89Å; R88-E401 IonicContact CZ-OE2 3.16Å; R88-E401 IonicContact NE-OE1 2.71Å; R88-E401 IonicContact NE-OE2 3.48Å; R88-E401 PolarHBondContact NE-OE2 2.86Å; R88-E401 IonicContact NH2-OE1 3.33Å; R88-E401 PolarHBondContact NH2-OE1 3.15Å; R88-E401 IonicContact NH2-OE2 3.07Å; E401-K403 VanDerWaalsContact CD-N 3.35Å; E401-K403 PolarHBondContact O-N 3.26Å; E401-K403 VanDerWaalsContact O-N 3.17Å; E401-K403 VanDerWaalsContact OE2-CA 3.29Å; E401-K403 WeakPolarHBondContact OE2-CA 3.44Å; E401-K403 VanDerWaalsContact OE2-CB 3.27Å; E401-K403 WeakPolarHBondContact OE2-CB 3.47Å; E401-K403 PolarHBondContact OE2-N 2.91Å; E401-I404 HydrophobicContact CB-CD1 4.14Å; E401-I404 HydrophobicContact CB-CG1 4.25Å; E401-I404 VanDerWaalsContact O-CD1 3.26Å; E401-I404 WeakPolarHBondContact O-CD1 3.34Å; E401-I404 VanDerWaalsContact O-CG1 3.28Å; E401-I404 WeakPolarHBondContact O-CG1 3.37Å; E401-I404 PolarHBondContact O-N 2.62Å; E401-I404 PolarHBondContact OE2-N 3.27Å
402	S	87.8	Confident	89.1	Confident	15 Å²	15	34 Å²	34	11%	0.105	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-18	-169.3	57.3	0	0	0	0	114.8	E344 S347	E344-S402 WeakPolarHBondContact OE1-CB 3.28Å; E344-S402 PolarHBondContact OE1-OG 2.92Å; S347-S402 VanDerWaalsContact CB-O 3.23Å; S347-S402 WeakPolarHBondContact CB-O 3.01Å; S347-S402 PolarHBondContact OG-O 2.97Å
403	K	91.6	Very high	89.7	Confident	11 Å²	11	32.2 Å²	32.2	5%	0.048	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	3.4	-178.4	-60.4	179.4	164.4	72.2	0	114.2	A192 D321 L345 E401 M405 F406 V407	A192-K403 HydrophobicContact CB-CD 3.89Å; D321-K403 WeakPolarHBondContact OD2-CE 3.46Å; D321-K403 IonicContact OD2-NZ 3.51Å; D321-K403 PolarHBondContact OD2-NZ 3.4Å; L345-K403 HydrophobicContact CD1-CG 4.47Å; E401-K403 VanDerWaalsContact CD-N 3.35Å; E401-K403 PolarHBondContact O-N 3.26Å; E401-K403 VanDerWaalsContact O-N 3.17Å; E401-K403 VanDerWaalsContact OE2-CA 3.29Å; E401-K403 WeakPolarHBondContact OE2-CA 3.44Å; E401-K403 VanDerWaalsContact OE2-CB 3.27Å; E401-K403 WeakPolarHBondContact OE2-CB 3.47Å; E401-K403 PolarHBondContact OE2-N 2.91Å; K403-M405 PolarHBondContact O-N 2.98Å; K403-F406 HydrophobicContact CB-CD2 4.07Å; K403-F406 HydrophobicContact CG-CD2 4.16Å; K403-F406 PolarHBondContact O-N 2.04Å; K403-V407 PolarHBondContact O-N 3.01Å
404	I	94.5	Very high	90.2	Very high	6 Å²	6	31.8 Å²	31.8	3%	0.031	16%	0.164	C	C	.	.	H	α-helix	trans	-52.4	-43.7	173.7	-70.9	164	0	0	0	111.5	Q87 A91 I350 F353 P400 E401 F406 V407 I408	Q87-I404 HydrophobicContact CB-CD1 4.3Å; A91-I404 HydrophobicContact CB-CG2 3.87Å; I350-I404 HydrophobicContact CD1-CG2 4.43Å; F353-I404 HydrophobicContact CB-CG2 4.4Å; F353-I404 HydrophobicContact CD1-CD1 3.65Å; F353-I404 HydrophobicContact CD1-CG2 4.06Å; F353-I404 HydrophobicContact CD2-CG2 4.26Å; F353-I404 HydrophobicContact CE1-CD1 3.42Å; F353-I404 VanDerWaalsContact CE1-CD1 3.42Å; F353-I404 HydrophobicContact CE1-CG1 4.27Å; F353-I404 HydrophobicContact CE1-CG2 4.45Å; F353-I404 HydrophobicContact CG-CG2 3.95Å; F353-I404 HydrophobicContact CZ-CD1 4.21Å; P400-I404 HydrophobicContact CB-CD1 4.3Å; E401-I404 HydrophobicContact CB-CD1 4.14Å; E401-I404 HydrophobicContact CB-CG1 4.25Å; E401-I404 VanDerWaalsContact O-CD1 3.26Å; E401-I404 WeakPolarHBondContact O-CD1 3.34Å; E401-I404 VanDerWaalsContact O-CG1 3.28Å; E401-I404 WeakPolarHBondContact O-CG1 3.37Å; E401-I404 PolarHBondContact O-N 2.62Å; E401-I404 PolarHBondContact OE2-N 3.27Å; I404-F406 VanDerWaalsContact C-N 3.29Å; I404-F406 PolarHBondContact O-N 2.66Å; I404-V407 WeakPolarHBondContact O-CB 3.2Å; I404-V407 PolarHBondContact O-N 3.04Å; I404-I408 HydrophobicContact CG2-CD1 4.08Å; I404-I408 PolarHBondContact O-N 3.12Å; I404-I408 VanDerWaalsContact O-N 3.12Å
405	M	94.1	Very high	90.7	Very high	3 Å²	3	25.7 Å²	25.7	2%	0.015	14%	0.136	C	C	.	.	H	α-helix	trans	-54.8	-43.7	176.3	-178.5	-164.9	73.3	0	0	112.2	Y348 I350 K403 V407 I408 N409	Y348-M405 HydrophobicContact CD1-SD 3.58Å; Y348-M405 VanDerWaalsContact CD1-SD 3.58Å; Y348-M405 HydrophobicContact CE1-CG 4.15Å; Y348-M405 HydrophobicContact CE1-SD 3.34Å; Y348-M405 WeakPolarHBondContact CE1-SD 3.37Å; Y348-M405 HydrophobicContact CE2-CG 4.26Å; Y348-M405 HydrophobicContact CE2-SD 4.33Å; Y348-M405 HydrophobicContact CG-SD 4.17Å; I350-M405 HydrophobicContact CD1-CB 4.07Å; I350-M405 HydrophobicContact CD1-CG 4.46Å; K403-M405 PolarHBondContact O-N 2.98Å; M405-V407 PolarHBondContact O-N 2.83Å; M405-I408 PolarHBondContact O-N 2.94Å; M405-N409 WeakPolarHBondContact O-CB 3.23Å; M405-N409 PolarHBondContact O-N 3.08Å; M405-N409 PolarHBondContact O-ND2 3.11Å; M405-N409 PolarHBondContact O-OD1 3.24Å
406	F	95.6	Very high	91.5	Very high	13 Å²	13	20.7 Å²	20.7	6%	0.057	11%	0.113	C	C	.	.	H	α-helix	trans	-70.3	-31.1	-178	-62.2	-68.3	0	0	0	112.9	Y191 T210 V211 L345 K403 I404 A410	Y191-F406 WeakPolarHBondContact O-CB 3.05Å; T210-F406 VanDerWaalsContact O-CD1 3.29Å; T210-F406 WeakPolarHBondContact O-CD1 3.43Å; T210-F406 PolarHBondContact OG1-O 3.31Å; V211-F406 HydrophobicContact CG1-CB 3.96Å; V211-F406 HydrophobicContact CG1-CD1 3.76Å; V211-F406 HydrophobicContact CG1-CD2 3.9Å; V211-F406 HydrophobicContact CG1-CE1 4.22Å; V211-F406 HydrophobicContact CG1-CE2 4.39Å; V211-F406 HydrophobicContact CG1-CG 3.6Å; L345-F406 HydrophobicContact CB-CE2 3.6Å; L345-F406 HydrophobicContact CB-CZ 3.75Å; L345-F406 HydrophobicContact CD1-CD2 4.23Å; L345-F406 HydrophobicContact CD1-CE2 3.78Å; L345-F406 HydrophobicContact CD1-CZ 4.21Å; L345-F406 HydrophobicContact CG-CE2 4.33Å; L345-F406 HydrophobicContact CG-CZ 4.5Å; K403-F406 HydrophobicContact CB-CD2 4.07Å; K403-F406 HydrophobicContact CG-CD2 4.16Å; K403-F406 PolarHBondContact O-N 2.04Å; I404-F406 VanDerWaalsContact C-N 3.29Å; I404-F406 PolarHBondContact O-N 2.66Å; F406-A410 WeakPolarHBondContact O-CB 3.48Å; F406-A410 PolarHBondContact O-N 3.06Å
407	V	97.2	Very high	92.3	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-64.5	-51.9	172.9	179.6	0	0	0	0	109.9	F65 R88 A91 M92 Y191 K403 I404 M405 N409 A410 V411	F65-V407 HydrophobicContact CE1-CG1 4.02Å; F65-V407 HydrophobicContact CZ-CG1 4.24Å; R88-V407 HydrophobicContact CB-CG2 4.02Å; R88-V407 HydrophobicContact CG-CG2 4.15Å; A91-V407 HydrophobicContact CB-CB 4.46Å; A91-V407 HydrophobicContact CB-CG1 4.3Å; M92-V407 HydrophobicContact CB-CG1 4.12Å; Y191-V407 HydrophobicContact CD1-CG2 4.09Å; Y191-V407 HydrophobicContact CD2-CG2 3.52Å; Y191-V407 HydrophobicContact CE1-CG2 4.5Å; Y191-V407 HydrophobicContact CE2-CG2 4.01Å; Y191-V407 HydrophobicContact CG-CB 4.4Å; Y191-V407 HydrophobicContact CG-CG2 3.58Å; K403-V407 PolarHBondContact O-N 3.01Å; I404-V407 WeakPolarHBondContact O-CB 3.2Å; I404-V407 PolarHBondContact O-N 3.04Å; M405-V407 PolarHBondContact O-N 2.83Å; V407-N409 VanDerWaalsContact C-N 3.31Å; V407-N409 PolarHBondContact O-N 3.26Å; V407-A410 WeakPolarHBondContact O-CB 3.19Å; V407-A410 PolarHBondContact O-N 3.32Å; V407-V411 WeakPolarHBondContact O-CG2 3.33Å; V407-V411 PolarHBondContact O-N 3.05Å; V407-V411 VanDerWaalsContact O-N 3.09Å
408	I	96.8	Very high	93.1	Very high	1 Å²	1	13.5 Å²	13.5	1%	0.005	7%	0.067	C	C	.	.	H	α-helix	trans	-59.5	-45.7	178.7	-62.7	176.2	0	0	0	109.7	A91 A95 I350 I404 M405 A410 V411 Y412 P457 F458	A91-I408 HydrophobicContact CB-CG1 4.23Å; A95-I408 HydrophobicContact CB-CG1 4.38Å; A95-I408 HydrophobicContact CB-CG2 4.16Å; I350-I408 HydrophobicContact CD1-CD1 3.75Å; I404-I408 HydrophobicContact CG2-CD1 4.08Å; I404-I408 PolarHBondContact O-N 3.12Å; I404-I408 VanDerWaalsContact O-N 3.12Å; M405-I408 PolarHBondContact O-N 2.94Å; I408-A410 VanDerWaalsContact C-N 3.26Å; I408-A410 PolarHBondContact O-N 3.41Å; I408-V411 PolarHBondContact O-N 3.41Å; I408-Y412 HydrophobicContact CG2-CD2 3.67Å; I408-Y412 HydrophobicContact CG2-CE2 3.77Å; I408-Y412 WeakPolarHBondContact O-CD2 3.32Å; I408-Y412 PolarHBondContact O-N 3.41Å; I408-P457 HydrophobicContact CG2-CB 4.32Å; I408-P457 HydrophobicContact CG2-CG 3.54Å; I408-F458 HydrophobicContact CD1-CD2 4.4Å; I408-F458 HydrophobicContact CG2-CD2 4.34Å; I408-F458 HydrophobicContact CG2-CE2 4.2Å
409	N	96.3	Very high	93.7	Very high	5 Å²	5	11.9 Å²	11.9	3%	0.027	6%	0.061	C	C	.	.	H	α-helix	trans	-58.1	-37.2	176.3	-69.5	-8.6	0	0	0	112.4	T210 M405 V407 A413 P457 V467	T210-N409 HydrophobicContact CG2-CB 4.08Å; M405-N409 WeakPolarHBondContact O-CB 3.23Å; M405-N409 PolarHBondContact O-N 3.08Å; M405-N409 PolarHBondContact O-ND2 3.11Å; M405-N409 PolarHBondContact O-OD1 3.24Å; V407-N409 VanDerWaalsContact C-N 3.31Å; V407-N409 PolarHBondContact O-N 3.26Å; N409-A413 WeakPolarHBondContact O-CB 3.29Å; N409-A413 PolarHBondContact O-N 2.93Å; N409-P457 WeakPolarHBondContact OD1-CD 3.28Å; N409-V467 HydrophobicContact CB-CG1 4.47Å; N409-V467 HydrophobicContact CB-CG2 3.98Å
410	A	97.8	Very high	94.4	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-68.9	-41.4	179.5	0	0	0	0	0	111.7	I166 I189 T210 F406 V407 I408 A413 M414	I166-A410 HydrophobicContact CD1-CB 4.24Å; I166-A410 HydrophobicContact CG2-CB 4.05Å; I189-A410 HydrophobicContact CB-CB 4.48Å; I189-A410 HydrophobicContact CG2-CB 3.77Å; T210-A410 HydrophobicContact CG2-CB 3.89Å; F406-A410 WeakPolarHBondContact O-CB 3.48Å; F406-A410 PolarHBondContact O-N 3.06Å; V407-A410 WeakPolarHBondContact O-CB 3.19Å; V407-A410 PolarHBondContact O-N 3.32Å; I408-A410 VanDerWaalsContact C-N 3.26Å; I408-A410 PolarHBondContact O-N 3.41Å; A410-A413 PolarHBondContact O-N 3.18Å; A410-M414 PolarHBondContact O-N 3.44Å
411	V	97.8	Very high	94.7	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-65.4	-46.1	175.9	-178.3	0	0	0	0	110.6	M92 A95 L96 I99 I166 V407 I408 A413 M414 A415	M92-V411 HydrophobicContact CB-CG2 4.18Å; M92-V411 HydrophobicContact CG-CG2 3.84Å; A95-V411 HydrophobicContact CB-CB 3.96Å; A95-V411 HydrophobicContact CB-CG1 3.91Å; A95-V411 HydrophobicContact CB-CG2 4.31Å; L96-V411 HydrophobicContact CD2-CG1 3.99Å; L96-V411 HydrophobicContact CG-CG1 4.2Å; I99-V411 HydrophobicContact CD1-CG1 3.76Å; I166-V411 HydrophobicContact CG1-CG2 4.37Å; I166-V411 HydrophobicContact CG2-CG2 4.41Å; V407-V411 WeakPolarHBondContact O-CG2 3.33Å; V407-V411 PolarHBondContact O-N 3.05Å; V407-V411 VanDerWaalsContact O-N 3.09Å; I408-V411 PolarHBondContact O-N 3.41Å; V411-A413 VanDerWaalsContact C-N 3.32Å; V411-A413 PolarHBondContact O-N 2.82Å; V411-M414 PolarHBondContact O-N 3.31Å; V411-A415 PolarHBondContact O-N 3.04Å
412	Y	97.4	Very high	94.8	Very high	23 Å²	23	10 Å²	10	9%	0.09	5%	0.05	C	C	.	.	H	α-helix	trans	-64.5	-35	176.1	-89.1	-99.8	0	0	0	112.6	A95 I99 I105 I408 A415 T416 P457	A95-Y412 HydrophobicContact CB-CD2 4.34Å; A95-Y412 HydrophobicContact CB-CE2 4.12Å; I99-Y412 HydrophobicContact CD1-CD1 4.4Å; I99-Y412 HydrophobicContact CD1-CD2 3.88Å; I99-Y412 HydrophobicContact CD1-CE1 4.46Å; I99-Y412 HydrophobicContact CD1-CE2 3.95Å; I99-Y412 HydrophobicContact CD1-CG 4.13Å; I99-Y412 HydrophobicContact CG1-CD1 4.25Å; I99-Y412 HydrophobicContact CG1-CD2 4.26Å; I99-Y412 HydrophobicContact CG1-CE1 3.89Å; I99-Y412 HydrophobicContact CG1-CE2 3.91Å; I99-Y412 HydrophobicContact CG1-CG 4.44Å; I105-Y412 HydrophobicContact CD1-CD1 4.3Å; I105-Y412 HydrophobicContact CD1-CE1 4.24Å; I408-Y412 HydrophobicContact CG2-CD2 3.67Å; I408-Y412 HydrophobicContact CG2-CE2 3.77Å; I408-Y412 WeakPolarHBondContact O-CD2 3.32Å; I408-Y412 PolarHBondContact O-N 3.41Å; Y412-A415 PolarHBondContact O-N 3.06Å; Y412-T416 VanDerWaalsContact O-CB 3.23Å; Y412-T416 WeakPolarHBondContact O-CB 3.45Å; Y412-T416 PolarHBondContact O-N 2.83Å; Y412-T416 PolarHBondContact O-OG1 2.95Å; Y412-P457 HydrophobicContact CD1-CB 4.4Å; Y412-P457 HydrophobicContact CD1-CG 4.28Å; Y412-P457 HydrophobicContact CD2-CB 4.32Å; Y412-P457 HydrophobicContact CD2-CG 3.78Å; Y412-P457 HydrophobicContact CE1-CB 4.18Å; Y412-P457 HydrophobicContact CE2-CB 4.1Å; Y412-P457 HydrophobicContact CE2-CG 4.03Å; Y412-P457 HydrophobicContact CG-CB 4.45Å; Y412-P457 HydrophobicContact CG-CG 3.9Å
413	A	97.4	Very high	94.9	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-63.5	-44.1	173.9	0	0	0	0	0	111.4	I189 N409 A410 V411 T416 A417 V452 F454 F469	I189-A413 HydrophobicContact CD1-CB 4.22Å; N409-A413 WeakPolarHBondContact O-CB 3.29Å; N409-A413 PolarHBondContact O-N 2.93Å; A410-A413 PolarHBondContact O-N 3.18Å; V411-A413 VanDerWaalsContact C-N 3.32Å; V411-A413 PolarHBondContact O-N 2.82Å; A413-T416 PolarHBondContact O-N 2.86Å; A413-A417 WeakPolarHBondContact O-CB 3.4Å; A413-A417 PolarHBondContact O-N 3.29Å; A413-V452 HydrophobicContact CB-CG2 4.23Å; A413-F454 HydrophobicContact CB-CE1 3.95Å; A413-F454 HydrophobicContact CB-CZ 4.09Å; A413-F469 HydrophobicContact CB-CE2 4.2Å; A413-F469 HydrophobicContact CB-CZ 4.06Å
414	M	96.9	Very high	94.9	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-62.5	-47.6	175.1	-171.8	64.8	74.1	0	0	111.6	I61 I166 I189 A410 V411 T416 A417 L418 F444 I449	I61-M414 HydrophobicContact CD1-CG 3.88Å; I61-M414 HydrophobicContact CG1-CG 4.37Å; I166-M414 HydrophobicContact CD1-CB 4.09Å; I166-M414 HydrophobicContact CD1-CE 4.13Å; I189-M414 HydrophobicContact CD1-CB 4.3Å; I189-M414 HydrophobicContact CD1-CE 3.82Å; I189-M414 HydrophobicContact CG1-CE 3.93Å; A410-M414 PolarHBondContact O-N 3.44Å; V411-M414 PolarHBondContact O-N 3.31Å; M414-T416 PolarHBondContact O-N 3.12Å; M414-A417 PolarHBondContact O-N 3.2Å; M414-L418 HydrophobicContact CG-CD1 4.37Å; M414-L418 WeakPolarHBondContact O-CG 3.49Å; M414-L418 PolarHBondContact O-N 3.33Å; M414-F444 HydrophobicContact SD-CE1 3.72Å; M414-F444 HydrophobicContact SD-CZ 3.71Å; M414-I449 HydrophobicContact CE-CD1 4.37Å; M414-I449 HydrophobicContact SD-CD1 4.24Å
415	A	96.3	Very high	94.6	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-62.9	-40.8	178.7	0	0	0	0	0	112.5	I99 I105 L106 L111 V411 Y412 L418 H419	I99-A415 HydrophobicContact CD1-CB 3.78Å; I99-A415 HydrophobicContact CG1-CB 4.44Å; I99-A415 HydrophobicContact CG2-CB 4.03Å; I105-A415 HydrophobicContact CG2-CB 4.21Å; L106-A415 HydrophobicContact CD1-CB 4.43Å; L111-A415 HydrophobicContact CD1-CB 3.8Å; V411-A415 PolarHBondContact O-N 3.04Å; Y412-A415 PolarHBondContact O-N 3.06Å; A415-L418 PolarHBondContact O-N 3.28Å; A415-H419 VanDerWaalsContact O-CB 3.32Å; A415-H419 WeakPolarHBondContact O-CB 3.46Å; A415-H419 PolarHBondContact O-N 2.03Å
416	T	96.1	Very high	94.3	Very high	18 Å²	18	19.7 Å²	19.7	11%	0.11	11%	0.107	C	C	.	.	H	α-helix	trans	-65.9	-40.4	176.1	-57.5	0	0	0	0	111.3	Y412 A413 M414 H419 N420 V452 F454	Y412-T416 VanDerWaalsContact O-CB 3.23Å; Y412-T416 WeakPolarHBondContact O-CB 3.45Å; Y412-T416 PolarHBondContact O-N 2.83Å; Y412-T416 PolarHBondContact O-OG1 2.95Å; A413-T416 PolarHBondContact O-N 2.86Å; M414-T416 PolarHBondContact O-N 3.12Å; T416-H419 WeakPolarHBondContact O-CB 3.46Å; T416-H419 PolarHBondContact O-N 2.82Å; T416-N420 WeakPolarHBondContact O-CB 2.96Å; T416-N420 PolarHBondContact O-N 2.03Å; T416-N420 PolarHBondContact O-ND2 3.4Å; T416-V452 HydrophobicContact CG2-CB 4.47Å; T416-V452 HydrophobicContact CG2-CG1 4.3Å; T416-F454 HydrophobicContact CG2-CD1 4.31Å
417	A	95.6	Very high	93.6	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-62.4	-46.1	175	0	0	0	0	0	111.3	A413 M414 H419 N420 M421 F444 I449 V452	A413-A417 WeakPolarHBondContact O-CB 3.4Å; A413-A417 PolarHBondContact O-N 3.29Å; M414-A417 PolarHBondContact O-N 3.2Å; A417-H419 VanDerWaalsContact C-N 3.3Å; A417-H419 PolarHBondContact O-N 3.39Å; A417-N420 PolarHBondContact O-N 2.95Å; A417-M421 WeakPolarHBondContact O-CB 3Å; A417-M421 PolarHBondContact O-N 3.09Å; A417-F444 HydrophobicContact CB-CE2 3.76Å; A417-F444 HydrophobicContact CB-CZ 4.05Å; A417-I449 HydrophobicContact CB-CB 4.46Å; A417-I449 HydrophobicContact CB-CG1 3.74Å; A417-V452 HydrophobicContact CB-CG1 3.82Å
418	L	93.4	Very high	92.9	Very high	3 Å²	3	31.5 Å²	31.5	2%	0.016	18%	0.176	C	C	.	.	H	α-helix	trans	-61.5	-39.8	174.9	-72	171.5	0	0	0	111.5	L59 L106 L111 M414 A415 M421 R422 F444	L59-L418 HydrophobicContact CD1-CD1 4.24Å; L59-L418 HydrophobicContact CD1-CD2 4.31Å; L106-L418 HydrophobicContact CD1-CB 4.15Å; L106-L418 HydrophobicContact CD2-CB 4.21Å; L111-L418 HydrophobicContact CD2-CD1 3.91Å; M414-L418 HydrophobicContact CG-CD1 4.37Å; M414-L418 WeakPolarHBondContact O-CG 3.49Å; M414-L418 PolarHBondContact O-N 3.33Å; A415-L418 PolarHBondContact O-N 3.28Å; L418-M421 PolarHBondContact O-N 3.38Å; L418-R422 WeakPolarHBondContact O-CB 3.49Å; L418-R422 PolarHBondContact O-N 3.27Å; L418-F444 HydrophobicContact CD2-CE1 4.22Å; L418-F444 HydrophobicContact CD2-CE2 3.8Å; L418-F444 HydrophobicContact CD2-CZ 3.54Å; L418-F444 HydrophobicContact CG-CE2 4.16Å; L418-F444 HydrophobicContact CG-CZ 3.78Å
419	H	93.1	Very high	92	Very high	22 Å²	22	33.6 Å²	33.6	10%	0.102	19%	0.19	C	C	.	.	H	α-helix	trans	-62.8	-48.4	176.9	-176.1	72.2	0	0	0	112.1	R104 I105 L106 A415 T416 A417 M421 R422 Q423	R104-H419 PolarHBondContact O-CE1 2.94Å; I105-H419 HydrophobicContact CG2-CB 4.36Å; L106-H419 HydrophobicContact CD2-CB 4.1Å; L106-H419 HydrophobicContact CG-CB 4.11Å; L106-H419 PolarHBondContact N-ND1 2.59Å; A415-H419 VanDerWaalsContact O-CB 3.32Å; A415-H419 WeakPolarHBondContact O-CB 3.46Å; A415-H419 PolarHBondContact O-N 2.03Å; T416-H419 WeakPolarHBondContact O-CB 3.46Å; T416-H419 PolarHBondContact O-N 2.82Å; A417-H419 VanDerWaalsContact C-N 3.3Å; A417-H419 PolarHBondContact O-N 3.39Å; H419-M421 VanDerWaalsContact C-N 3.3Å; H419-M421 PolarHBondContact O-N 3.43Å; H419-R422 WeakPolarHBondContact O-CB 3.01Å; H419-R422 PolarHBondContact O-N 3.21Å; H419-Q423 PolarHBondContact CD2-NE2 2.86Å; H419-Q423 PolarHBondContact NE2-NE2 2.85Å; H419-Q423 WeakPolarHBondContact O-CG 3.5Å; H419-Q423 PolarHBondContact O-N 3.03Å
420	N	93.5	Very high	91.1	Very high	52 Å²	52	37.9 Å²	37.9	28%	0.278	22%	0.217	S	C	.	.	H	α-helix	trans	-63.3	-38.1	177.3	-68.5	-13.9	0	0	0	111.3	T416 A417 Q423 A424 Y448	T416-N420 WeakPolarHBondContact O-CB 2.96Å; T416-N420 PolarHBondContact O-N 2.03Å; T416-N420 PolarHBondContact O-ND2 3.4Å; A417-N420 PolarHBondContact O-N 2.95Å; N420-Q423 PolarHBondContact O-N 2.93Å; N420-A424 WeakPolarHBondContact O-CB 3.4Å; N420-A424 PolarHBondContact O-N 3.3Å; N420-Y448 HydrophobicContact CB-CD1 4.03Å
421	M	91.8	Very high	90.4	Very high	15 Å²	15	45.2 Å²	45.2	7%	0.074	25%	0.249	C	C	.	.	H	α-helix	trans	-64.1	-43.5	174.2	-175.1	171.7	168.8	0	0	111.9	A417 L418 H419 A424 L425 A435 L436 F444 Y448	A417-M421 WeakPolarHBondContact O-CB 3Å; A417-M421 PolarHBondContact O-N 3.09Å; L418-M421 PolarHBondContact O-N 3.38Å; H419-M421 VanDerWaalsContact C-N 3.3Å; H419-M421 PolarHBondContact O-N 3.43Å; M421-A424 PolarHBondContact O-N 2.99Å; M421-L425 HydrophobicContact CE-CD1 3.57Å; M421-L425 HydrophobicContact CG-CD1 3.6Å; M421-L425 HydrophobicContact CG-CG 4.3Å; M421-L425 WeakPolarHBondContact O-CB 3.47Å; M421-L425 WeakPolarHBondContact O-CG 3.4Å; M421-L425 PolarHBondContact O-N 2.8Å; M421-L425 HydrophobicContact SD-CD1 4.42Å; M421-A435 WeakPolarHBondContact CE-O 3.47Å; M421-L436 HydrophobicContact CG-CD1 4.43Å; M421-F444 HydrophobicContact SD-CB 4.18Å; M421-F444 HydrophobicContact SD-CD2 3.41Å; M421-F444 WeakPolarHBondContact SD-CD2 3.2Å; M421-F444 HydrophobicContact SD-CE2 4.12Å; M421-F444 HydrophobicContact SD-CG 4.02Å; M421-Y448 HydrophobicContact CB-CD1 3.83Å; M421-Y448 HydrophobicContact CB-CD2 4.01Å; M421-Y448 HydrophobicContact CB-CE1 3.95Å; M421-Y448 HydrophobicContact CB-CE2 4.08Å; M421-Y448 HydrophobicContact CB-CG 3.85Å; M421-Y448 HydrophobicContact CG-CD2 4.07Å; M421-Y448 HydrophobicContact CG-CE1 4.39Å; M421-Y448 HydrophobicContact CG-CE2 3.8Å; M421-Y448 HydrophobicContact CG-CG 4.42Å; M421-Y448 HydrophobicContact SD-CD2 4.25Å; M421-Y448 HydrophobicContact SD-CE2 4.29Å
422	R	90.1	Very high	89.6	Confident	22 Å²	22	47.2 Å²	47.2	8%	0.083	26%	0.261	C	S	.	.	H	α-helix	trans	-59.8	-49.6	174.2	-166.9	-169.1	67.6	162.1	6.9	112	L106 P107 I109 L418 H419 A424 L425 C426 L436	L106-R422 VanDerWaalsContact C-NH1 3.35Å; P107-R422 VanDerWaalsContact CD-NH1 3.32Å; P107-R422 VanDerWaalsContact CG-NH2 3.26Å; P107-R422 VanDerWaalsContact N-NH1 3.18Å; P107-R422 PolarHBondContact O-NH1 3.26Å; I109-R422 HydrophobicContact CD1-CG 4.33Å; L418-R422 WeakPolarHBondContact O-CB 3.49Å; L418-R422 PolarHBondContact O-N 3.27Å; H419-R422 WeakPolarHBondContact O-CB 3.01Å; H419-R422 PolarHBondContact O-N 3.21Å; R422-A424 VanDerWaalsContact C-N 3.26Å; R422-A424 PolarHBondContact O-N 3Å; R422-L425 PolarHBondContact O-N 3.15Å; R422-C426 CarbonylContact O-C 3.49Å; R422-C426 WeakPolarHBondContact O-CA 3.19Å; R422-C426 PolarHBondContact O-N 3.18Å; R422-L436 HydrophobicContact CB-CD1 4.31Å; R422-L436 HydrophobicContact CB-CD2 3.82Å; R422-L436 HydrophobicContact CG-CD1 4.49Å; R422-L436 HydrophobicContact CG-CD2 3.86Å
423	Q	90.4	Very high	88.9	Confident	108 Å²	108	47.3 Å²	47.3	51%	0.505	27%	0.265	S	S	.	.	H	α-helix	trans	-59.6	-39.5	179.5	-72.1	-171.7	-3.8	0	0	111.7	H419 N420	H419-Q423 PolarHBondContact CD2-NE2 2.86Å; H419-Q423 PolarHBondContact NE2-NE2 2.85Å; H419-Q423 WeakPolarHBondContact O-CG 3.5Å; H419-Q423 PolarHBondContact O-N 3.03Å; N420-Q423 PolarHBondContact O-N 2.93Å
424	A	90.6	Very high	88	Confident	62 Å²	62	53.1 Å²	53.1	51%	0.512	30%	0.296	S	S	.	.	H	α-helix	trans	-75.8	-36.4	-178.1	0	0	0	0	0	113.9	N420 M421 R422 Y448	N420-A424 WeakPolarHBondContact O-CB 3.4Å; N420-A424 PolarHBondContact O-N 3.3Å; M421-A424 PolarHBondContact O-N 2.99Å; R422-A424 VanDerWaalsContact C-N 3.26Å; R422-A424 PolarHBondContact O-N 3Å; A424-Y448 HydrophobicContact CB-CE1 3.85Å; A424-Y448 WeakPolarHBondContact CB-OH 3.05Å
425	L	88.5	Confident	87	Confident	54 Å²	54	55.7 Å²	55.7	28%	0.283	32%	0.317	S	S	.	.	H	α-helix	trans	-101.9	-29.4	-172.1	-58.2	-179.8	0	0	0	113.1	M421 R422 A435 L436	M421-L425 HydrophobicContact CE-CD1 3.57Å; M421-L425 HydrophobicContact CG-CD1 3.6Å; M421-L425 HydrophobicContact CG-CG 4.3Å; M421-L425 WeakPolarHBondContact O-CB 3.47Å; M421-L425 WeakPolarHBondContact O-CG 3.4Å; M421-L425 PolarHBondContact O-N 2.8Å; M421-L425 HydrophobicContact SD-CD1 4.42Å; R422-L425 PolarHBondContact O-N 3.15Å; L425-A435 HydrophobicContact CB-CB 4.16Å; L425-A435 HydrophobicContact CD1-CB 4.19Å; L425-L436 HydrophobicContact CB-CD1 4.41Å
426	C	87.3	Confident	86.2	Confident	16 Å²	16	56 Å²	56	11%	0.108	32%	0.318	C	S	.	.			trans	-137.1	59	-171.5	-60.3	0	0	0	0	111.6	R422 N428 S429 C433 L436	R422-C426 CarbonylContact O-C 3.49Å; R422-C426 WeakPolarHBondContact O-CA 3.19Å; R422-C426 PolarHBondContact O-N 3.18Å; C426-N428 PolarHBondContact O-N 3.31Å; C426-S429 PolarHBondContact O-N 3.48Å; C426-C433 HydrophobicContact CB-CB 3.87Å; C426-C433 WeakPolarHBondContact CB-SG 3.48Å; C426-C433 WeakPolarHBondContact SG-CB 3.19Å; C426-C433 CovalentContact SG-SG 2Å; C426-C433 PolarHBondContact SG-SG 3.41Å; C426-L436 HydrophobicContact CB-CD1 4.4Å
427	P	81.4	Confident	85.2	Confident	95 Å²	95	60.8 Å²	60.8	62%	0.617	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-26.7	-173.4	25.9	-35.2	0	0	0	113.8
428	N	82	Confident	84	Confident	166 Å²	166	63.3 Å²	63.3	89%	0.888	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	3.3	-174.4	-63.8	-16.4	0	0	0	113.9	C426	C426-N428 PolarHBondContact O-N 3.31Å
429	S	78.9	Confident	82.7	Confident	44 Å²	44	66.2 Å²	66.2	31%	0.308	39%	0.385	S	S	.	.			trans	-117.2	130.9	-178.3	-179.8	0	0	0	0	111.1	C426 K431	C426-S429 PolarHBondContact O-N 3.48Å; S429-K431 PolarHBondContact OG-N 2.97Å; S429-K431 VanDerWaalsContact OG-N 3.08Å; S429-K431 PolarHBondContact OG-O 3.27Å
430	T	77.6	Confident	81.8	Confident	95 Å²	95	69.4 Å²	69.4	58%	0.583	40%	0.403	S	S	*	.	S	Bend	trans	-87.4	-8.1	167.9	51.4	0	0	0	0	112.7	G108 I109	G108-T430 CarbonylContact C-O 3.54Å; G108-T430 VanDerWaalsContact C-O 3.31Å; I109-T430 WeakPolarHBondContact CG1-O 3.34Å
431	K	81.4	Confident	81.4	Confident	155 Å²	155	67.4 Å²	67.4	67%	0.674	39%	0.394	S	S	*	.	S	Bend	trans	-101.2	161.8	176.2	-63.2	-173.6	177.6	-174	0	111.8	S429 C433	S429-K431 PolarHBondContact OG-N 2.97Å; S429-K431 VanDerWaalsContact OG-N 3.08Å; S429-K431 PolarHBondContact OG-O 3.27Å; K431-C433 PolarHBondContact O-N 3.43Å
432	V	82.1	Confident	81.3	Confident	42 Å²	42	74.6 Å²	74.6	26%	0.255	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-59.8	120	171.1	-179.2	0	0	0	0	109.7	D58 L59 I109 L436	D58-V432 HydrophobicContact CB-CG2 3.63Å; L59-V432 HydrophobicContact CD1-CG2 4.45Å; L59-V432 HydrophobicContact CD2-CG1 3.97Å; L59-V432 HydrophobicContact CD2-CG2 4.08Å; L59-V432 HydrophobicContact CG-CG2 3.93Å; I109-V432 HydrophobicContact CD1-CG2 4.03Å; I109-V432 HydrophobicContact CG1-CG2 4.2Å; I109-V432 HydrophobicContact CG2-CG2 3.88Å; V432-L436 HydrophobicContact CG1-CB 4.04Å
433	C	83.1	Confident	81.3	Confident	24 Å²	24	77.3 Å²	77.3	16%	0.162	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-94.8	164.9	174.7	59.5	0	0	0	0	110.8	C426 K431 A435 L436 K437	C426-C433 HydrophobicContact CB-CB 3.87Å; C426-C433 WeakPolarHBondContact CB-SG 3.48Å; C426-C433 WeakPolarHBondContact SG-CB 3.19Å; C426-C433 CovalentContact SG-SG 2Å; C426-C433 PolarHBondContact SG-SG 3.41Å; K431-C433 PolarHBondContact O-N 3.43Å; C433-A435 PolarHBondContact O-N 3.23Å; C433-A435 VanDerWaalsContact O-N 3.16Å; C433-L436 WeakPolarHBondContact O-CB 3.35Å; C433-L436 PolarHBondContact O-N 3.46Å; C433-L436 WeakPolarHBondContact SG-CD1 3.31Å; C433-K437 PolarHBondContact O-N 3.03Å
434	D	78	Confident	81.4	Confident	123 Å²	123	72.6 Å²	72.6	66%	0.658	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-60	-30.7	-178.6	-65.3	-42.7	0	0	0	113.5	L436 K437	D434-L436 PolarHBondContact O-N 3.2Å; D434-K437 WeakPolarHBondContact O-CB 3.41Å; D434-K437 PolarHBondContact O-N 3.41Å; D434-K437 VanDerWaalsContact OD1-CE 3.31Å; D434-K437 WeakPolarHBondContact OD1-CE 3.22Å; D434-K437 IonicContact OD1-NZ 3.5Å; D434-K437 PolarHBondContact OD1-NZ 3.29Å
435	A	76.2	Confident	81.6	Confident	53 Å²	53	70.1 Å²	70.1	44%	0.438	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-69.5	-17.7	176.3	0	0	0	0	0	113.8	M421 L425 C433	M421-A435 WeakPolarHBondContact CE-O 3.47Å; L425-A435 HydrophobicContact CB-CB 4.16Å; L425-A435 HydrophobicContact CD1-CB 4.19Å; C433-A435 PolarHBondContact O-N 3.23Å; C433-A435 VanDerWaalsContact O-N 3.16Å
436	L	79.4	Confident	81.8	Confident	6 Å²	6	75 Å²	75	3%	0.031	40%	0.403	C	S	.	.	G	3₁₀ helix	trans	-92.7	-11	176.3	-101.7	73.8	0	0	0	113	L59 I109 M421 R422 L425 C426 V432 C433 D434	L59-L436 HydrophobicContact CD1-CD2 4.44Å; I109-L436 HydrophobicContact CD1-CD2 4.23Å; M421-L436 HydrophobicContact CG-CD1 4.43Å; R422-L436 HydrophobicContact CB-CD1 4.31Å; R422-L436 HydrophobicContact CB-CD2 3.82Å; R422-L436 HydrophobicContact CG-CD1 4.49Å; R422-L436 HydrophobicContact CG-CD2 3.86Å; L425-L436 HydrophobicContact CB-CD1 4.41Å; C426-L436 HydrophobicContact CB-CD1 4.4Å; V432-L436 HydrophobicContact CG1-CB 4.04Å; C433-L436 WeakPolarHBondContact O-CB 3.35Å; C433-L436 PolarHBondContact O-N 3.46Å; C433-L436 WeakPolarHBondContact SG-CD1 3.31Å; D434-L436 PolarHBondContact O-N 3.2Å
437	K	75.3	Confident	82.1	Confident	119 Å²	119	76 Å²	76	52%	0.517	41%	0.407	S	S	.	.	S	Bend	trans	-65.6	143.8	177.7	-69.8	178.2	176.5	166	0	110.3	C433 D434 G439	C433-K437 PolarHBondContact O-N 3.03Å; D434-K437 WeakPolarHBondContact O-CB 3.41Å; D434-K437 PolarHBondContact O-N 3.41Å; D434-K437 VanDerWaalsContact OD1-CE 3.31Å; D434-K437 WeakPolarHBondContact OD1-CE 3.22Å; D434-K437 IonicContact OD1-NZ 3.5Å; D434-K437 PolarHBondContact OD1-NZ 3.29Å; K437-G439 PolarHBondContact O-N 2.62Å
438	P	70.2	Confident	82.8	Confident	53 Å²	53	72.7 Å²	72.7	34%	0.344	38%	0.383	S	S	.	.	S	Bend	trans	-56.5	121.9	178.2	-24.6	34.6	0	0	0	111.3	A161	A161-P438 HydrophobicContact CB-CB 4.21Å; A161-P438 HydrophobicContact CB-CG 3.8Å
439	G	66.1	Low	83.4	Confident	65 Å²	65	64.8 Å²	64.8	67%	0.67	34%	0.34	S	S	*	.	S	Bend	trans	172.2	-20.1	-177.4	0	0	0	0	0	116.9	K437	K437-G439 PolarHBondContact O-N 2.62Å
440	N	74.3	Confident	84.3	Confident	89 Å²	89	64.2 Å²	64.2	48%	0.476	33%	0.334	S	S	.	.			trans	-127.6	59.4	173.8	-165.9	-13.6	0	0	0	111.3	R442 K443 F444	N440-R442 PolarHBondContact O-N 3.37Å; N440-K443 PolarHBondContact O-N 3.47Å; N440-K443 WeakPolarHBondContact OD1-CB 3.49Å; N440-K443 PolarHBondContact OD1-N 3.38Å; N440-F444 PolarHBondContact O-N 2.7Å; N440-F444 VanDerWaalsContact O-N 3.09Å
441	G	84.4	Confident	85.1	Confident	9 Å²	9	66.4 Å²	66.4	9%	0.093	34%	0.335	C	S	.	.	H	α-helix	trans	-67.9	-19.2	-174.4	0	0	0	0	0	114	Q185 F444 Y445	Q185-G441 WeakPolarHBondContact O-CA 3.45Å; G441-F444 PolarHBondContact O-N 3.34Å; G441-Y445 WeakPolarHBondContact O-CB 3.34Å; G441-Y445 PolarHBondContact O-N 2.57Å
442	R	89.2	Confident	85.8	Confident	167 Å²	167	59.1 Å²	59.1	63%	0.63	30%	0.304	S	S	*	.	H	α-helix	trans	-63.4	-47.6	170.1	-174.9	178.7	-175.6	-166	3.2	113.4	Y206 N440 F444 R446	Y206-R442 VanDerWaalsContact CE1-CA 3.46Å; Y206-R442 HydrophobicContact CE1-CB 3.71Å; Y206-R442 HydrophobicContact CE1-CG 3.98Å; N440-R442 PolarHBondContact O-N 3.37Å; R442-F444 VanDerWaalsContact C-N 3.34Å; R442-R446 PolarHBondContact O-N 3.25Å
443	K	90.4	Very high	86.4	Confident	78 Å²	78	64.9 Å²	64.9	34%	0.339	33%	0.325	S	S	.	.	H	α-helix	trans	-65.1	-43.5	174.5	-171	-177.3	178.4	-178.2	0	110.1	N440 Y445 D447 Y448	N440-K443 PolarHBondContact O-N 3.47Å; N440-K443 WeakPolarHBondContact OD1-CB 3.49Å; N440-K443 PolarHBondContact OD1-N 3.38Å; K443-Y445 PolarHBondContact O-N 2.7Å; K443-D447 HydrophobicContact CG-CB 4.45Å; K443-D447 WeakPolarHBondContact CG-OD2 3.49Å; K443-D447 WeakPolarHBondContact O-CB 3.34Å; K443-D447 PolarHBondContact O-N 3.3Å; K443-Y448 HydrophobicContact CG-CE2 4.46Å
444	F	92.8	Very high	86.9	Confident	10 Å²	10	65.2 Å²	65.2	4%	0.044	32%	0.324	C	S	.	.	H	α-helix	trans	-56.8	-49	179.6	-178.3	-137.8	0	0	0	112.3	P187 M414 A417 L418 M421 N440 G441 R442 Y448 I449	P187-F444 HydrophobicContact CG-CD1 3.58Å; P187-F444 HydrophobicContact CG-CE1 3.79Å; M414-F444 HydrophobicContact SD-CE1 3.72Å; M414-F444 HydrophobicContact SD-CZ 3.71Å; A417-F444 HydrophobicContact CB-CE2 3.76Å; A417-F444 HydrophobicContact CB-CZ 4.05Å; L418-F444 HydrophobicContact CD2-CE1 4.22Å; L418-F444 HydrophobicContact CD2-CE2 3.8Å; L418-F444 HydrophobicContact CD2-CZ 3.54Å; L418-F444 HydrophobicContact CG-CE2 4.16Å; L418-F444 HydrophobicContact CG-CZ 3.78Å; M421-F444 HydrophobicContact SD-CB 4.18Å; M421-F444 HydrophobicContact SD-CD2 3.41Å; M421-F444 WeakPolarHBondContact SD-CD2 3.2Å; M421-F444 HydrophobicContact SD-CE2 4.12Å; M421-F444 HydrophobicContact SD-CG 4.02Å; N440-F444 PolarHBondContact O-N 2.7Å; N440-F444 VanDerWaalsContact O-N 3.09Å; G441-F444 PolarHBondContact O-N 3.34Å; R442-F444 VanDerWaalsContact C-N 3.34Å; F444-Y448 HydrophobicContact CD2-CD2 4.34Å; F444-Y448 WeakPolarHBondContact O-CB 3.46Å; F444-Y448 PolarHBondContact O-N 3.13Å; F444-I449 HydrophobicContact CD1-CD1 4.13Å; F444-I449 HydrophobicContact CE1-CD1 3.8Å; F444-I449 HydrophobicContact CE1-CG1 4.26Å; F444-I449 HydrophobicContact CE2-CG1 4.26Å; F444-I449 HydrophobicContact CZ-CD1 4.08Å; F444-I449 HydrophobicContact CZ-CG1 4.06Å; F444-I449 PolarHBondContact O-N 3.48Å; F444-I449 VanDerWaalsContact O-N 3.07Å
445	Y	94.8	Very high	87.6	Confident	10 Å²	10	63.6 Å²	63.6	4%	0.039	32%	0.315	C	S	.	.	H	α-helix	trans	-63.5	-55.7	179	179.5	-96.1	0	0	0	112.7	P187 K201 D205 Y206 F207 A208 G441 K443 I449 L450	P187-Y445 HydrophobicContact CB-CD2 3.97Å; K201-Y445 WeakPolarHBondContact CE-OH 2.78Å; K201-Y445 PolarHBondContact NZ-OH 2.92Å; D205-Y445 VanDerWaalsContact O-CD1 3.31Å; D205-Y445 WeakPolarHBondContact O-CD1 3.48Å; D205-Y445 WeakPolarHBondContact O-CE1 3.03Å; Y206-Y445 HydrophobicContact CD1-CD1 4.37Å; Y206-Y445 HydrophobicContact CD1-CG 4.16Å; Y206-Y445 WeakPolarHBondContact O-CE2 3.22Å; F207-Y445 PolarHBondContact O-OH 3.26Å; A208-Y445 HydrophobicContact CB-CE2 3.94Å; G441-Y445 WeakPolarHBondContact O-CB 3.34Å; G441-Y445 PolarHBondContact O-N 2.57Å; K443-Y445 PolarHBondContact O-N 2.7Å; Y445-I449 HydrophobicContact CD2-CB 4.36Å; Y445-I449 HydrophobicContact CD2-CD1 4.28Å; Y445-I449 HydrophobicContact CD2-CG2 4.32Å; Y445-I449 WeakPolarHBondContact O-CB 3.36Å; Y445-I449 PolarHBondContact O-N 2.76Å; Y445-L450 HydrophobicContact CD1-CD1 4.25Å; Y445-L450 HydrophobicContact CD1-CG 4.31Å; Y445-L450 HydrophobicContact CE1-CD1 3.67Å; Y445-L450 HydrophobicContact CE1-CD2 4.12Å; Y445-L450 HydrophobicContact CE1-CG 3.83Å; Y445-L450 HydrophobicContact CE2-CD2 4.4Å; Y445-L450 PolarHBondContact O-N 2.69Å
446	R	93.7	Very high	88.3	Confident	156 Å²	156	61.2 Å²	61.2	59%	0.589	30%	0.295	S	S	*	.	H	α-helix	trans	-70.2	-42.1	-171.9	-168	-165.1	71	163.9	-2.4	113	R442	R442-R446 PolarHBondContact O-N 3.25Å
447	D	93.7	Very high	88.9	Confident	36 Å²	36	61.7 Å²	61.7	19%	0.193	30%	0.299	C	S	.	.	H	α-helix	trans	-93.1	-20.5	-169.8	-63.1	-18.5	0	0	0	112.7	K443 K451	K443-D447 HydrophobicContact CG-CB 4.45Å; K443-D447 WeakPolarHBondContact CG-OD2 3.49Å; K443-D447 WeakPolarHBondContact O-CB 3.34Å; K443-D447 PolarHBondContact O-N 3.3Å; D447-K451 WeakPolarHBondContact O-CD 3.27Å
448	Y	95.2	Very high	89.6	Confident	27 Å²	27	59 Å²	59	11%	0.106	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.2	-52.7	-176.2	-54.8	-81.6	0	0	0	113.5	N420 M421 A424 K443 F444 K451 V452	N420-Y448 HydrophobicContact CB-CD1 4.03Å; M421-Y448 HydrophobicContact CB-CD1 3.83Å; M421-Y448 HydrophobicContact CB-CD2 4.01Å; M421-Y448 HydrophobicContact CB-CE1 3.95Å; M421-Y448 HydrophobicContact CB-CE2 4.08Å; M421-Y448 HydrophobicContact CB-CG 3.85Å; M421-Y448 HydrophobicContact CG-CD2 4.07Å; M421-Y448 HydrophobicContact CG-CE1 4.39Å; M421-Y448 HydrophobicContact CG-CE2 3.8Å; M421-Y448 HydrophobicContact CG-CG 4.42Å; M421-Y448 HydrophobicContact SD-CD2 4.25Å; M421-Y448 HydrophobicContact SD-CE2 4.29Å; A424-Y448 HydrophobicContact CB-CE1 3.85Å; A424-Y448 WeakPolarHBondContact CB-OH 3.05Å; K443-Y448 HydrophobicContact CG-CE2 4.46Å; F444-Y448 HydrophobicContact CD2-CD2 4.34Å; F444-Y448 WeakPolarHBondContact O-CB 3.46Å; F444-Y448 PolarHBondContact O-N 3.13Å; Y448-K451 PolarHBondContact O-N 3.03Å; Y448-V452 VanDerWaalsContact O-CG1 3.31Å; Y448-V452 WeakPolarHBondContact O-CG1 3.46Å; Y448-V452 PolarHBondContact O-N 3.08Å
449	I	95.8	Very high	90.4	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-62.5	-53	-179.3	-65.6	178.4	0	0	0	111.1	P187 I189 A208 M414 A417 F444 Y445 K451 V452 F469	P187-I449 HydrophobicContact CB-CD1 3.49Å; P187-I449 VanDerWaalsContact CB-CD1 3.49Å; P187-I449 HydrophobicContact CG-CD1 3.62Å; I189-I449 HydrophobicContact CD1-CG2 3.99Å; I189-I449 HydrophobicContact CG1-CG2 4.37Å; A208-I449 HydrophobicContact CB-CG2 4.21Å; M414-I449 HydrophobicContact CE-CD1 4.37Å; M414-I449 HydrophobicContact SD-CD1 4.24Å; A417-I449 HydrophobicContact CB-CB 4.46Å; A417-I449 HydrophobicContact CB-CG1 3.74Å; F444-I449 HydrophobicContact CD1-CD1 4.13Å; F444-I449 HydrophobicContact CE1-CD1 3.8Å; F444-I449 HydrophobicContact CE1-CG1 4.26Å; F444-I449 HydrophobicContact CE2-CG1 4.26Å; F444-I449 HydrophobicContact CZ-CD1 4.08Å; F444-I449 HydrophobicContact CZ-CG1 4.06Å; F444-I449 PolarHBondContact O-N 3.48Å; F444-I449 VanDerWaalsContact O-N 3.07Å; Y445-I449 HydrophobicContact CD2-CB 4.36Å; Y445-I449 HydrophobicContact CD2-CD1 4.28Å; Y445-I449 HydrophobicContact CD2-CG2 4.32Å; Y445-I449 WeakPolarHBondContact O-CB 3.36Å; Y445-I449 PolarHBondContact O-N 2.76Å; I449-K451 PolarHBondContact O-N 3.27Å; I449-K451 VanDerWaalsContact O-N 3.08Å; I449-V452 WeakPolarHBondContact O-CG2 3.39Å; I449-V452 PolarHBondContact O-N 3.37Å; I449-F469 HydrophobicContact CG2-CD2 4.44Å; I449-F469 HydrophobicContact CG2-CE2 4.12Å; I449-F469 VanDerWaalsContact O-CD2 3.28Å; I449-F469 WeakPolarHBondContact O-CD2 3.19Å
450	L	95.8	Very high	91.3	Very high	32 Å²	32	59.3 Å²	59.3	17%	0.168	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-64.9	-15.2	-178.5	-70.1	-176	0	0	0	114.2	Y445 F469 G473	Y445-L450 HydrophobicContact CD1-CD1 4.25Å; Y445-L450 HydrophobicContact CD1-CG 4.31Å; Y445-L450 HydrophobicContact CE1-CD1 3.67Å; Y445-L450 HydrophobicContact CE1-CD2 4.12Å; Y445-L450 HydrophobicContact CE1-CG 3.83Å; Y445-L450 HydrophobicContact CE2-CD2 4.4Å; Y445-L450 PolarHBondContact O-N 2.69Å; L450-F469 HydrophobicContact CD2-CB 4.27Å; L450-G473 VanDerWaalsContact CD2-CA 3.41Å
451	K	95.7	Very high	91.6	Very high	141 Å²	141	60.6 Å²	60.6	61%	0.613	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-106.2	8.9	-177.1	-60.7	-171.7	-170.9	168	0	113.5	D447 Y448 I449	D447-K451 WeakPolarHBondContact O-CD 3.27Å; Y448-K451 PolarHBondContact O-N 3.03Å; I449-K451 PolarHBondContact O-N 3.27Å; I449-K451 VanDerWaalsContact O-N 3.08Å
452	V	95.3	Very high	91.1	Very high	2 Å²	2	67.7 Å²	67.7	1%	0.012	32%	0.317	C	S	.	.			trans	-66.6	139.1	174.1	-59	0	0	0	0	110.7	A413 T416 A417 Y448 I449 F454 F469	A413-V452 HydrophobicContact CB-CG2 4.23Å; T416-V452 HydrophobicContact CG2-CB 4.47Å; T416-V452 HydrophobicContact CG2-CG1 4.3Å; A417-V452 HydrophobicContact CB-CG1 3.82Å; Y448-V452 VanDerWaalsContact O-CG1 3.31Å; Y448-V452 WeakPolarHBondContact O-CG1 3.46Å; Y448-V452 PolarHBondContact O-N 3.08Å; I449-V452 WeakPolarHBondContact O-CG2 3.39Å; I449-V452 PolarHBondContact O-N 3.37Å; V452-F454 HydrophobicContact CB-CD1 4.4Å; V452-F454 HydrophobicContact CB-CE1 4.41Å; V452-F454 HydrophobicContact CG2-CE1 4.26Å; V452-F469 HydrophobicContact CG2-CD2 3.68Å; V452-F469 HydrophobicContact CG2-CE2 3.41Å; V452-F469 VanDerWaalsContact CG2-CE2 3.41Å; V452-F469 HydrophobicContact CG2-CZ 4.42Å
453	K	95.3	Very high	90.5	Very high	163 Å²	163	62 Å²	62	71%	0.709	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-149.6	115	172.9	-173.4	178.2	-179.7	-179.4	0	108.9	V466 V467	K453-V466 HydrophobicContact CG-CG1 3.86Å; K453-V467 WeakPolarHBondContact CA-O 3.42Å
454	F	93.8	Very high	90	Very high	31 Å²	31	66.7 Å²	66.7	14%	0.136	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	157.6	180	61.7	-82	0	0	0	111	A413 T416 V452 V467	A413-F454 HydrophobicContact CB-CE1 3.95Å; A413-F454 HydrophobicContact CB-CZ 4.09Å; T416-F454 HydrophobicContact CG2-CD1 4.31Å; V452-F454 HydrophobicContact CB-CD1 4.4Å; V452-F454 HydrophobicContact CB-CE1 4.41Å; V452-F454 HydrophobicContact CG2-CE1 4.26Å; F454-V467 HydrophobicContact CD1-CB 4.3Å; F454-V467 HydrophobicContact CD2-CB 4.44Å; F454-V467 HydrophobicContact CE1-CB 3.8Å; F454-V467 HydrophobicContact CE1-CG1 3.82Å; F454-V467 HydrophobicContact CE2-CB 3.96Å; F454-V467 HydrophobicContact CE2-CG1 4.47Å; F454-V467 HydrophobicContact CE2-CG2 3.92Å; F454-V467 HydrophobicContact CZ-CB 3.61Å; F454-V467 HydrophobicContact CZ-CG1 3.69Å; F454-V467 HydrophobicContact CZ-CG2 3.95Å; F454-V467 PolarHBondContact N-O 3.43Å; F454-V467 PolarHBondContact O-N 2.99Å
455	D	92.5	Very high	89.7	Confident	88 Å²	88	67.7 Å²	67.7	47%	0.471	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	133.1	172.9	-80.5	1.2	0	0	0	110	R459	D455-R459 IonicContact OD2-CZ 2.79Å; D455-R459 IonicContact OD2-NE 3.83Å; D455-R459 PolarHBondContact OD2-NE 3.44Å; D455-R459 IonicContact OD2-NH2 3.63Å; D455-R459 PolarHBondContact OD2-NH2 2.97Å
456	A	91.6	Very high	89.5	Confident	3 Å²	3	69.8 Å²	69.8	3%	0.025	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-58.2	129.4	-178.6	0	0	0	0	0	110.9	Y348 R459 N465 V467	Y348-A456 VanDerWaalsContact OH-CB 3.27Å; Y348-A456 WeakPolarHBondContact OH-CB 3.24Å; A456-R459 WeakPolarHBondContact O-CB 3.38Å; A456-R459 VanDerWaalsContact O-CG 3.31Å; A456-R459 WeakPolarHBondContact O-CG 3.45Å; A456-R459 PolarHBondContact O-N 3.08Å; A456-N465 HydrophobicContact CB-CB 4.03Å; A456-N465 WeakPolarHBondContact CB-O 3.5Å; A456-N465 PolarHBondContact N-O 2.79Å; A456-V467 HydrophobicContact CB-CG2 4.02Å
457	P	90.4	Very high	89.5	Confident	16 Å²	16	62.6 Å²	62.6	10%	0.104	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	148.2	179.6	25.8	-36.5	0	0	0	111.4	Y348 I408 N409 Y412 R459	Y348-P457 PolarHBondContact OH-O 3.22Å; I408-P457 HydrophobicContact CG2-CB 4.32Å; I408-P457 HydrophobicContact CG2-CG 3.54Å; N409-P457 WeakPolarHBondContact OD1-CD 3.28Å; Y412-P457 HydrophobicContact CD1-CB 4.4Å; Y412-P457 HydrophobicContact CD1-CG 4.28Å; Y412-P457 HydrophobicContact CD2-CB 4.32Å; Y412-P457 HydrophobicContact CD2-CG 3.78Å; Y412-P457 HydrophobicContact CE1-CB 4.18Å; Y412-P457 HydrophobicContact CE2-CB 4.1Å; Y412-P457 HydrophobicContact CE2-CG 4.03Å; Y412-P457 HydrophobicContact CG-CB 4.45Å; Y412-P457 HydrophobicContact CG-CG 3.9Å; P457-R459 PolarHBondContact O-N 3.26Å; P457-R459 VanDerWaalsContact O-N 3.1Å
458	F	90.1	Very high	89.6	Confident	64 Å²	64	62.7 Å²	62.7	28%	0.281	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.8	20.4	-178.7	-45.4	-72.5	0	0	0	114.9	E98 Y348 I350 H352 I408	E98-F458 HydrophobicContact CG-CZ 4.09Å; Y348-F458 WeakPolarHBondContact CE2-O 3.32Å; I350-F458 HydrophobicContact CG2-CB 3.72Å; I350-F458 HydrophobicContact CG2-CD2 4.21Å; I350-F458 HydrophobicContact CG2-CG 4.02Å; H352-F458 HydrophobicContact CB-CD1 4.15Å; H352-F458 HydrophobicContact CB-CE1 4.45Å; H352-F458 AromaticContact CE1-CE1 3.98Å; H352-F458 AromaticContact ND1-CD1 3.95Å; H352-F458 AromaticContact ND1-CE1 3.39Å; H352-F458 WeakPolarHBondContact ND1-CE1 3.27Å; H352-F458 AromaticContact ND1-CZ 3.72Å; I408-F458 HydrophobicContact CD1-CD2 4.4Å; I408-F458 HydrophobicContact CG2-CD2 4.34Å; I408-F458 HydrophobicContact CG2-CE2 4.2Å
459	R	87.4	Confident	89.6	Confident	76 Å²	76	62.3 Å²	62.3	29%	0.287	32%	0.318	S	S	.	.			trans	-65.3	140.3	176.3	70.3	-178.6	-176.3	80.4	-1.5	111.7	Y348 D455 A456 P457 T463	Y348-R459 HydrophobicContact CE1-CB 3.96Å; Y348-R459 HydrophobicContact CE2-CB 4.41Å; Y348-R459 VanDerWaalsContact CZ-CA 3.49Å; Y348-R459 WeakPolarHBondContact OH-CA 3.45Å; Y348-R459 PolarHBondContact OH-N 3.37Å; D455-R459 IonicContact OD2-CZ 2.79Å; D455-R459 IonicContact OD2-NE 3.83Å; D455-R459 PolarHBondContact OD2-NE 3.44Å; D455-R459 IonicContact OD2-NH2 3.63Å; D455-R459 PolarHBondContact OD2-NH2 2.97Å; A456-R459 WeakPolarHBondContact O-CB 3.38Å; A456-R459 VanDerWaalsContact O-CG 3.31Å; A456-R459 WeakPolarHBondContact O-CG 3.45Å; A456-R459 PolarHBondContact O-N 3.08Å; P457-R459 PolarHBondContact O-N 3.26Å; P457-R459 VanDerWaalsContact O-N 3.1Å; R459-T463 PolarHBondContact NH1-O 3.39Å
460	P	85.9	Confident	89.5	Confident	47 Å²	47	65.2 Å²	65.2	31%	0.305	33%	0.334	S	S	.	.			trans	-55.8	143.2	166.3	-24.8	31.8	0	0	0	111.4	Y348 D462 T463	Y348-P460 HydrophobicContact CD2-CG 4.42Å; Y348-P460 HydrophobicContact CG-CG 4.34Å; P460-D462 PolarHBondContact O-N 2.96Å; P460-D462 VanDerWaalsContact O-N 3.11Å; P460-T463 HydrophobicContact CB-CG2 4.2Å; P460-T463 WeakPolarHBondContact CD-OG1 3.5Å; P460-T463 HydrophobicContact CG-CG2 4.37Å; P460-T463 PolarHBondContact O-N 2.55Å; P460-T463 PolarHBondContact O-OG1 3.28Å
461	P	78.8	Confident	89.3	Confident	116 Å²	116	67.7 Å²	67.7	75%	0.753	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-36.7	-178.2	-25.3	33.6	0	0	0	113.3	T463	P461-T463 VanDerWaalsContact C-N 3.28Å; P461-T463 PolarHBondContact O-N 3.35Å
462	D	74.2	Confident	89.2	Confident	158 Å²	158	66.4 Å²	66.4	85%	0.845	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	2.2	-175.7	-53.1	-40.8	0	0	0	114.2	P460	P460-D462 PolarHBondContact O-N 2.96Å; P460-D462 VanDerWaalsContact O-N 3.11Å
463	T	77.7	Confident	89.2	Confident	49 Å²	49	66.3 Å²	66.3	30%	0.301	35%	0.353	S	S	.	.			trans	-112.7	120	-179.4	58.1	0	0	0	0	112	R459 P460 P461 N465	R459-T463 PolarHBondContact NH1-O 3.39Å; P460-T463 HydrophobicContact CB-CG2 4.2Å; P460-T463 WeakPolarHBondContact CD-OG1 3.5Å; P460-T463 HydrophobicContact CG-CG2 4.37Å; P460-T463 PolarHBondContact O-N 2.55Å; P460-T463 PolarHBondContact O-OG1 3.28Å; P461-T463 VanDerWaalsContact C-N 3.28Å; P461-T463 PolarHBondContact O-N 3.35Å; T463-N465 PolarHBondContact O-N 3.37Å
464	E	79.9	Confident	89.2	Confident	176 Å²	176	58.9 Å²	58.9	82%	0.822	32%	0.321	S	S	*	.			trans	-83.7	87	170.1	-69	-173.7	179.6	0	0	110	R478	E464-R478 PolarHBondContact O-NH1 3.36Å
465	N	85.7	Confident	89.1	Confident	31 Å²	31	58.4 Å²	58.4	17%	0.166	32%	0.322	C	S	.	.			trans	-115.1	109.5	172.4	-163.8	0.8	0	0	0	110.5	Y348 A456 T463	Y348-N465 HydrophobicContact CE1-CB 4.21Å; A456-N465 HydrophobicContact CB-CB 4.03Å; A456-N465 WeakPolarHBondContact CB-O 3.5Å; A456-N465 PolarHBondContact N-O 2.79Å; T463-N465 PolarHBondContact O-N 3.37Å
466	V	91.2	Very high	89	Confident	54 Å²	54	58 Å²	58	33%	0.327	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	126	179.6	179.3	0	0	0	0	108.6	K453	K453-V466 HydrophobicContact CG-CG1 3.86Å
467	V	93.8	Very high	88.8	Confident	4 Å²	4	58.2 Å²	58.2	2%	0.024	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	120.2	176.5	-175.7	0	0	0	0	108.7	N409 K453 F454 A456	N409-V467 HydrophobicContact CB-CG1 4.47Å; N409-V467 HydrophobicContact CB-CG2 3.98Å; K453-V467 WeakPolarHBondContact CA-O 3.42Å; F454-V467 HydrophobicContact CD1-CB 4.3Å; F454-V467 HydrophobicContact CD2-CB 4.44Å; F454-V467 HydrophobicContact CE1-CB 3.8Å; F454-V467 HydrophobicContact CE1-CG1 3.82Å; F454-V467 HydrophobicContact CE2-CB 3.96Å; F454-V467 HydrophobicContact CE2-CG1 4.47Å; F454-V467 HydrophobicContact CE2-CG2 3.92Å; F454-V467 HydrophobicContact CZ-CB 3.61Å; F454-V467 HydrophobicContact CZ-CG1 3.69Å; F454-V467 HydrophobicContact CZ-CG2 3.95Å; F454-V467 PolarHBondContact N-O 3.43Å; F454-V467 PolarHBondContact O-N 2.99Å; A456-V467 HydrophobicContact CB-CG2 4.02Å
468	C	94.7	Very high	88.9	Confident	38 Å²	38	62.1 Å²	62.1	26%	0.257	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	161.6	175	57.4	0	0	0	0	110
469	F	95.6	Very high	89.1	Confident	19 Å²	19	59.1 Å²	59.1	8%	0.083	32%	0.324	C	S	.	.			trans	-117	149.6	177	-54.4	-63.4	0	0	0	110.9	I189 R209 T210 A413 I449 L450 V452 D474	I189-F469 HydrophobicContact CG2-CZ 4.33Å; R209-F469 WeakPolarHBondContact O-CD1 3.36Å; R209-F469 WeakPolarHBondContact O-CE1 3.34Å; T210-F469 HydrophobicContact CG2-CE1 4.16Å; T210-F469 HydrophobicContact CG2-CZ 4.21Å; A413-F469 HydrophobicContact CB-CE2 4.2Å; A413-F469 HydrophobicContact CB-CZ 4.06Å; I449-F469 HydrophobicContact CG2-CD2 4.44Å; I449-F469 HydrophobicContact CG2-CE2 4.12Å; I449-F469 VanDerWaalsContact O-CD2 3.28Å; I449-F469 WeakPolarHBondContact O-CD2 3.19Å; L450-F469 HydrophobicContact CD2-CB 4.27Å; V452-F469 HydrophobicContact CG2-CD2 3.68Å; V452-F469 HydrophobicContact CG2-CE2 3.41Å; V452-F469 VanDerWaalsContact CG2-CE2 3.41Å; V452-F469 HydrophobicContact CG2-CZ 4.42Å; F469-D474 WeakPolarHBondContact CA-O 3.46Å
470	D	93.6	Very high	89.5	Confident	62 Å²	62	57 Å²	57	33%	0.332	32%	0.319	S	S	.	.			trans	-80.9	-176	168.3	73.3	5.6	0	0	0	112	F472 G473 D474	D470-F472 PolarHBondContact O-N 3.43Å; D470-F472 VanDerWaalsContact O-N 3.15Å; D470-F472 VanDerWaalsContact OD1-CA 3.22Å; D470-F472 WeakPolarHBondContact OD1-CA 3.4Å; D470-F472 WeakPolarHBondContact OD1-CB 3.49Å; D470-F472 PolarHBondContact OD1-N 3.03Å; D470-G473 PolarHBondContact O-N 3Å; D470-G473 PolarHBondContact OD1-N 3Å; D470-D474 PolarHBondContact N-O 3.46Å; D470-D474 PolarHBondContact OD1-N 3.06Å
471	A	92.4	Very high	89.9	Confident	84 Å²	84	54.8 Å²	54.8	69%	0.694	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-19.5	177.7	0	0	0	0	0	113.5
472	F	94.3	Very high	90.7	Very high	114 Å²	114	50.7 Å²	50.7	50%	0.5	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	11.7	176.4	-52.7	-74.8	0	0	0	112.3	K201 D470 D474	K201-F472 WeakPolarHBondContact CE-O 3.39Å; K201-F472 HydrophobicContact CG-CD1 4.38Å; K201-F472 PolarHBondContact NZ-O 3.4Å; D470-F472 PolarHBondContact O-N 3.43Å; D470-F472 VanDerWaalsContact O-N 3.15Å; D470-F472 VanDerWaalsContact OD1-CA 3.22Å; D470-F472 WeakPolarHBondContact OD1-CA 3.4Å; D470-F472 WeakPolarHBondContact OD1-CB 3.49Å; D470-F472 PolarHBondContact OD1-N 3.03Å; F472-D474 PolarHBondContact O-N 3.01Å
473	G	93.9	Very high	91.7	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.235	C	C	.	.	S	Bend	trans	68.1	19.2	179	0	0	0	0	0	114	A208 R209 L450 D470	A208-G473 CarbonylContact C-O 3.5Å; A208-G473 VanDerWaalsContact CA-O 3.29Å; A208-G473 WeakPolarHBondContact CA-O 3.35Å; R209-G473 PolarHBondContact N-O 2.82Å; L450-G473 VanDerWaalsContact CD2-CA 3.41Å; D470-G473 PolarHBondContact O-N 3Å; D470-G473 PolarHBondContact OD1-N 3Å
474	D	95.4	Very high	92.6	Very high	7 Å²	7	41 Å²	41	4%	0.037	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-99.4	146.4	-179.4	-69.5	-35.5	0	0	0	111.7	S199 R209 P213 F469 D470 F472	S199-D474 WeakPolarHBondContact CB-OD2 3.25Å; S199-D474 PolarHBondContact OG-OD2 3.03Å; R209-D474 IonicContact CZ-OD1 3.72Å; R209-D474 IonicContact NE-OD1 3.71Å; R209-D474 PolarHBondContact NE-OD1 3.01Å; R209-D474 VanDerWaalsContact NH2-CG 3.33Å; R209-D474 IonicContact NH2-OD1 2.74Å; R209-D474 PolarHBondContact NH2-OD1 2.62Å; R209-D474 IonicContact NH2-OD2 2.92Å; R209-D474 PolarHBondContact NH2-OD2 3.19Å; P213-D474 HydrophobicContact CG-CB 4.47Å; F469-D474 WeakPolarHBondContact CA-O 3.46Å; D470-D474 PolarHBondContact N-O 3.46Å; D470-D474 PolarHBondContact OD1-N 3.06Å; F472-D474 PolarHBondContact O-N 3.01Å
475	S	92.4	Very high	93.1	Very high	21 Å²	21	33.2 Å²	33.2	15%	0.147	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-86.7	162.2	174.3	-172.9	0	0	0	0	111.8	R209 T210	R209-S475 PolarHBondContact O-N 3.26Å; T210-S475 VanDerWaalsContact C-CB 3.45Å; T210-S475 VanDerWaalsContact O-CB 3.25Å; T210-S475 WeakPolarHBondContact O-CB 3.33Å; T210-S475 PolarHBondContact O-OG 3.04Å
476	V	89.6	Confident	93.4	Very high	80 Å²	80	35.8 Å²	35.8	49%	0.485	19%	0.194	S	C	.	.	P	Polyproline II helix	trans	-68.4	132.5	-177.9	-177.1	0	0	0	0	111.6	R478	V476-R478 HydrophobicContact CG1-CG 4.49Å; V476-R478 PolarHBondContact O-N 3.4Å
477	G	88.6	Confident	93.3	Very high	7 Å²	7	38 Å²	38	7%	0.072	20%	0.201	C	C	.	.			trans	-73.1	109.3	179.2	0	0	0	0	0	114
478	R	92.6	Very high	92.9	Very high	97 Å²	97	40.9 Å²	40.9	37%	0.366	23%	0.231	S	C	.	.			trans	-137.7	131.9	174.4	-64.5	173.8	-178.8	-172.1	-0.4	109.4	A346 E464 V476 Y498 W499 A500	A346-R478 HydrophobicContact CB-CB 3.69Å; A346-R478 WeakPolarHBondContact CB-O 3.41Å; A346-R478 PolarHBondContact N-O 3.08Å; E464-R478 PolarHBondContact O-NH1 3.36Å; V476-R478 HydrophobicContact CG1-CG 4.49Å; V476-R478 PolarHBondContact O-N 3.4Å; R478-Y498 WeakPolarHBondContact CB-OH 3.2Å; R478-Y498 WeakPolarHBondContact CD-OH 3.32Å; R478-Y498 WeakPolarHBondContact CG-OH 3.27Å; R478-W499 WeakPolarHBondContact CA-O 3.34Å; R478-A500 HydrophobicContact CG-CB 4.31Å
479	Y	94.4	Very high	92.6	Very high	1 Å²	1	47.1 Å²	47.1	0%	0.004	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	144.7	-178	-58.5	-89.6	0	0	0	112.9	P212 P213 Q217 I343 E344 L345 Y498 W499	P212-Y479 HydrophobicContact CG-CE1 4.39Å; P212-Y479 HydrophobicContact CG-CE2 4.46Å; P212-Y479 WeakPolarHBondContact CG-OH 3.49Å; P213-Y479 PolarHBondContact O-OH 2.99Å; Q217-Y479 HydrophobicContact CB-CE1 4.07Å; Q217-Y479 HydrophobicContact CB-CE2 4.49Å; Q217-Y479 HydrophobicContact CG-CE1 4.35Å; Q217-Y479 PolarHBondContact N-OH 3.33Å; I343-Y479 VanDerWaalsContact CG2-CB 3.48Å; I343-Y479 HydrophobicContact CG2-CD1 3.6Å; I343-Y479 HydrophobicContact CG2-CG 3.7Å; E344-Y479 CarbonylContact O-C 3.36Å; E344-Y479 VanDerWaalsContact O-CA 3.24Å; E344-Y479 WeakPolarHBondContact O-CA 3.39Å; E344-Y479 WeakPolarHBondContact O-CB 3.45Å; L345-Y479 HydrophobicContact CD2-CD1 4Å; L345-Y479 HydrophobicContact CD2-CE1 3.49Å; L345-Y479 VanDerWaalsContact CD2-CE1 3.49Å; L345-Y479 HydrophobicContact CG-CE1 4.37Å; Y479-Y498 WeakPolarHBondContact O-CA 3.46Å; Y479-Y498 VanDerWaalsContact O-CD2 3.27Å; Y479-Y498 WeakPolarHBondContact O-CD2 3.44Å; Y479-W499 HydrophobicContact CD2-CD2 4.48Å; Y479-W499 AromaticContact CD2-CE3 3.67Å; Y479-W499 HydrophobicContact CD2-CE3 3.67Å; Y479-W499 HydrophobicContact CD2-CZ3 4.15Å; Y479-W499 HydrophobicContact CE2-CE3 4.17Å; Y479-W499 HydrophobicContact CE2-CZ3 4.19Å; Y479-W499 PolarHBondContact N-O 3.31Å; Y479-W499 PolarHBondContact O-N 3.33Å
480	N	93.9	Very high	92.3	Very high	33 Å²	33	54.1 Å²	54.1	18%	0.176	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	142.2	166.7	-65.9	-28.1	0	0	0	109.1	E344 F482 Y498	E344-N480 PolarHBondContact N-O 3.49Å; E344-N480 PolarHBondContact O-N 3.17Å; N480-F482 HydrophobicContact CB-CD2 4.4Å; N480-F482 HydrophobicContact CB-CE2 3.66Å; N480-F482 HydrophobicContact CB-CZ 4.14Å; N480-Y498 WeakPolarHBondContact OD1-CD2 3.38Å
481	I	95.9	Very high	92.2	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	123.1	180	-56.3	169.5	0	0	0	108.4	I224 F341 V496 G497 W499 L503 L505	I224-I481 HydrophobicContact CD1-CD1 3.96Å; I224-I481 HydrophobicContact CD1-CG1 4.37Å; I224-I481 HydrophobicContact CD1-CG2 4.1Å; I224-I481 HydrophobicContact CG1-CD1 4.23Å; F341-I481 HydrophobicContact CD1-CG2 4.38Å; I481-V496 HydrophobicContact CG2-CG2 4.04Å; I481-V496 WeakPolarHBondContact O-CG2 3.31Å; I481-V496 PolarHBondContact O-N 3.47Å; I481-G497 PolarHBondContact N-O 3.17Å; I481-G497 PolarHBondContact O-N 3.3Å; I481-W499 HydrophobicContact CD1-CB 4.41Å; I481-L503 HydrophobicContact CD1-CD1 3.12Å; I481-L505 HydrophobicContact CB-CD2 4.32Å; I481-L505 HydrophobicContact CD1-CD2 3.75Å; I481-L505 HydrophobicContact CG2-CD2 4.07Å
482	F	95.3	Very high	92.3	Very high	30 Å²	30	51.5 Å²	51.5	13%	0.132	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	146.6	-180	-66.2	-87.5	0	0	0	111.2	A325 F341 T342 E344 N480 Y493 R494	A325-F482 HydrophobicContact CB-CD1 4.44Å; A325-F482 HydrophobicContact CB-CD2 4.18Å; A325-F482 HydrophobicContact CB-CE2 4.25Å; A325-F482 HydrophobicContact CB-CG 4.28Å; A325-F482 HydrophobicContact CB-CZ 4.43Å; F341-F482 WeakPolarHBondContact CA-O 3.31Å; T342-F482 PolarHBondContact N-O 2.6Å; T342-F482 PolarHBondContact O-N 3.09Å; E344-F482 HydrophobicContact CB-CD2 4.22Å; E344-F482 HydrophobicContact CB-CE2 3.95Å; E344-F482 WeakPolarHBondContact OE2-CE2 3.32Å; N480-F482 HydrophobicContact CB-CD2 4.4Å; N480-F482 HydrophobicContact CB-CE2 3.66Å; N480-F482 HydrophobicContact CB-CZ 4.14Å; F482-Y493 HydrophobicContact CB-CD1 4.32Å; F482-R494 CarbonylContact C-O 3.59Å; F482-R494 VanDerWaalsContact CA-O 3.28Å; F482-R494 WeakPolarHBondContact CA-O 3.25Å
483	H	95.6	Very high	92.2	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.009	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	121.4	169.2	-172.5	-104.1	0	0	0	109	A340 F341 H485 R494 V496	A340-H483 WeakPolarHBondContact O-CA 3.29Å; F341-H483 AromaticContact CE1-CD2 3.74Å; F341-H483 AromaticContact CE2-CD2 3.63Å; F341-H483 AromaticContact CE2-NE2 3.95Å; F341-H483 AromaticContact CZ-CD2 3.49Å; F341-H483 VanDerWaalsContact CZ-CD2 3.49Å; F341-H483 WeakPolarHBondContact CZ-CD2 3.39Å; H483-H485 AromaticContact ND1-CG 3.81Å; H483-H485 AromaticContact ND1-ND1 3.37Å; H483-H485 PolarHBondContact ND1-ND1 3.38Å; H483-H485 PolarHBondContact O-ND1 2.97Å; H483-R494 PolarHBondContact N-O 3.28Å; H483-R494 PolarHBondContact O-N 3.35Å; H483-V496 HydrophobicContact CB-CB 4.37Å; H483-V496 HydrophobicContact CB-CG1 3.53Å; H483-V496 HydrophobicContact CB-CG2 3.93Å
484	Y	94.9	Very high	92.2	Very high	2 Å²	2	52 Å²	52	1%	0.008	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	118.1	178.1	-173.2	-102.3	0	0	0	109.7	V330 E334 A337 G339 A340 Y491 Y493	V330-Y484 HydrophobicContact CG1-CE1 4.49Å; V330-Y484 HydrophobicContact CG2-CE2 3.99Å; E334-Y484 HydrophobicContact CB-CE1 4.44Å; E334-Y484 WeakPolarHBondContact CB-OH 3.43Å; E334-Y484 VanDerWaalsContact CG-OH 3.25Å; E334-Y484 WeakPolarHBondContact CG-OH 3.48Å; A337-Y484 HydrophobicContact CB-CD1 3.78Å; A337-Y484 HydrophobicContact CB-CE1 3.73Å; A337-Y484 WeakPolarHBondContact O-CD1 3.41Å; G339-Y484 PolarHBondContact N-O 3.45Å; A340-Y484 PolarHBondContact O-N 3.44Å; Y484-Y491 AromaticContact CE1-CD1 3.9Å; Y484-Y491 HydrophobicContact CE1-CD1 3.9Å; Y484-Y491 HydrophobicContact CE1-CG 4.15Å; Y484-Y491 VanDerWaalsContact CZ-CB 3.41Å; Y484-Y491 WeakPolarHBondContact OH-CB 3.37Å; Y484-Y493 AromaticContact CD2-CD1 3.71Å; Y484-Y493 HydrophobicContact CD2-CD1 3.71Å; Y484-Y493 AromaticContact CD2-CD2 3.8Å; Y484-Y493 HydrophobicContact CD2-CD2 3.8Å; Y484-Y493 AromaticContact CD2-CE1 3.54Å; Y484-Y493 HydrophobicContact CD2-CE1 3.54Å; Y484-Y493 AromaticContact CD2-CE2 3.63Å; Y484-Y493 HydrophobicContact CD2-CE2 3.63Å; Y484-Y493 AromaticContact CD2-CG 3.84Å; Y484-Y493 HydrophobicContact CD2-CG 3.84Å; Y484-Y493 AromaticContact CD2-CZ 3.5Å; Y484-Y493 HydrophobicContact CE2-CD2 4.09Å; Y484-Y493 HydrophobicContact CE2-CE1 4.4Å; Y484-Y493 AromaticContact CE2-CE2 3.73Å; Y484-Y493 HydrophobicContact CE2-CE2 3.73Å; Y484-Y493 AromaticContact CE2-CZ 3.91Å; Y484-Y493 HydrophobicContact CG-CD1 4.32Å; Y484-Y493 HydrophobicContact CG-CE1 4.03Å
485	H	92.4	Very high	92.1	Very high	12 Å²	12	54.6 Å²	54.6	6%	0.056	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	164.7	-179.5	64.1	-81	0	0	0	113.2	D338 H483 Y491 V492 P511	D338-H485 VanDerWaalsContact OD1-CA 3.23Å; D338-H485 WeakPolarHBondContact OD1-CA 3.33Å; H483-H485 AromaticContact ND1-CG 3.81Å; H483-H485 AromaticContact ND1-ND1 3.37Å; H483-H485 PolarHBondContact ND1-ND1 3.38Å; H483-H485 PolarHBondContact O-ND1 2.97Å; H485-Y491 WeakPolarHBondContact O-CA 3.49Å; H485-V492 PolarHBondContact N-O 2.99Å; H485-V492 VanDerWaalsContact N-O 3.14Å; H485-V492 PolarHBondContact O-N 2.91Å; H485-P511 HydrophobicContact CB-CG 3.86Å; H485-P511 VanDerWaalsContact CD2-CG 3.45Å; H485-P511 WeakPolarHBondContact CD2-CG 3.41Å
486	K	90.6	Very high	92.2	Very high	84 Å²	84	53.7 Å²	53.7	37%	0.365	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	120.6	172.8	-156.2	-176.8	-175.9	-160.7	0	111.5	D338 G488 E489 Y491	D338-K486 PolarHBondContact OD1-N 2.88Å; K486-G488 WeakPolarHBondContact CE-O 3.36Å; K486-E489 IonicContact NZ-OE2 3.66Å; K486-E489 PolarHBondContact NZ-OE2 2.87Å; K486-Y491 HydrophobicContact CB-CD1 3.88Å; K486-Y491 HydrophobicContact CB-CE1 3.73Å; K486-Y491 HydrophobicContact CD-CE2 4.48Å; K486-Y491 HydrophobicContact CG-CD1 4.29Å; K486-Y491 HydrophobicContact CG-CE1 4.12Å; K486-Y491 HydrophobicContact CG-CE2 4.41Å
487	E	89.1	Confident	92.4	Very high	100 Å²	100	50.6 Å²	50.6	47%	0.467	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	104.9	169.6	-169.4	167.5	-154.5	0	0	108.7	E489 R490 V492 R494	E487-E489 PolarHBondContact O-N 2.86Å; E487-R490 PolarHBondContact N-O 2.79Å; E487-R490 PolarHBondContact O-N 2.72Å; E487-R490 VanDerWaalsContact O-O 3.14Å; E487-V492 HydrophobicContact CB-CG2 3.84Å; E487-R494 IonicContact OE1-NH1 3.88Å; E487-R494 PolarHBondContact OE1-NH1 3.35Å; E487-R494 IonicContact OE2-NH1 2.93Å; E487-R494 PolarHBondContact OE2-NH1 3.03Å
488	G	86.1	Confident	92.7	Very high	65 Å²	65	54.4 Å²	54.4	67%	0.67	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.7	-118.4	-171.3	0	0	0	0	0	111.9	K486	K486-G488 WeakPolarHBondContact CE-O 3.36Å
489	E	87.1	Confident	92.8	Very high	169 Å²	169	50 Å²	50	79%	0.79	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-4.8	177.1	-72.5	-58.1	154.8	0	0	114.2	K486 E487	K486-E489 IonicContact NZ-OE2 3.66Å; K486-E489 PolarHBondContact NZ-OE2 2.87Å; E487-E489 PolarHBondContact O-N 2.86Å
490	R	90.3	Very high	92.6	Very high	167 Å²	167	51.6 Å²	51.6	63%	0.63	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.9	143.3	-173.2	-174.2	174.7	173.7	172.3	-0.9	111.7	E487 V492	E487-R490 PolarHBondContact N-O 2.79Å; E487-R490 PolarHBondContact O-N 2.72Å; E487-R490 VanDerWaalsContact O-O 3.14Å; R490-V492 HydrophobicContact CG-CG1 4.35Å
491	Y	92.1	Very high	92.3	Very high	55 Å²	55	57.8 Å²	57.8	22%	0.216	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	138.2	169.7	-64.2	-90.8	0	0	0	110.9	E334 D338 Y484 H485 K486	E334-Y491 HydrophobicContact CB-CD1 4.42Å; E334-Y491 HydrophobicContact CB-CD2 3.57Å; E334-Y491 HydrophobicContact CB-CE2 3.8Å; E334-Y491 HydrophobicContact CB-CG 3.91Å; E334-Y491 HydrophobicContact CG-CD2 4.24Å; D338-Y491 HydrophobicContact CB-CE1 3.98Å; Y484-Y491 AromaticContact CE1-CD1 3.9Å; Y484-Y491 HydrophobicContact CE1-CD1 3.9Å; Y484-Y491 HydrophobicContact CE1-CG 4.15Å; Y484-Y491 VanDerWaalsContact CZ-CB 3.41Å; Y484-Y491 WeakPolarHBondContact OH-CB 3.37Å; H485-Y491 WeakPolarHBondContact O-CA 3.49Å; K486-Y491 HydrophobicContact CB-CD1 3.88Å; K486-Y491 HydrophobicContact CB-CE1 3.73Å; K486-Y491 HydrophobicContact CD-CE2 4.48Å; K486-Y491 HydrophobicContact CG-CD1 4.29Å; K486-Y491 HydrophobicContact CG-CE1 4.12Å; K486-Y491 HydrophobicContact CG-CE2 4.41Å
492	V	92.7	Very high	92.2	Very high	35 Å²	35	61.3 Å²	61.3	21%	0.212	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	148.1	-176.8	-64.1	0	0	0	0	111.5	H485 E487 R490	H485-V492 PolarHBondContact N-O 2.99Å; H485-V492 VanDerWaalsContact N-O 3.14Å; H485-V492 PolarHBondContact O-N 2.91Å; E487-V492 HydrophobicContact CB-CG2 3.84Å; R490-V492 HydrophobicContact CG-CG1 4.35Å
493	Y	92.8	Very high	92.1	Very high	33 Å²	33	61.4 Å²	61.4	13%	0.129	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	122.8	164.3	-68	-83.3	0	0	0	109.8	W323 A325 Q326 E327 V330 T342 F482 Y484	W323-Y493 AromaticContact NE1-CE1 3.98Å; W323-Y493 AromaticContact NE1-CZ 3.81Å; W323-Y493 PolarHBondContact NE1-OH 3.43Å; A325-Y493 HydrophobicContact CB-CD1 4.24Å; A325-Y493 HydrophobicContact CB-CD2 4.38Å; A325-Y493 HydrophobicContact CB-CG 4.02Å; Q326-Y493 PolarHBondContact O-OH 2.94Å; Q326-Y493 VanDerWaalsContact O-OH 3.1Å; E327-Y493 WeakPolarHBondContact OE1-CD2 3.38Å; V330-Y493 WeakPolarHBondContact CG1-OH 3.35Å; V330-Y493 HydrophobicContact CG2-CE2 4.37Å; T342-Y493 HydrophobicContact CG2-CE1 4.38Å; F482-Y493 HydrophobicContact CB-CD1 4.32Å; Y484-Y493 AromaticContact CD2-CD1 3.71Å; Y484-Y493 HydrophobicContact CD2-CD1 3.71Å; Y484-Y493 AromaticContact CD2-CD2 3.8Å; Y484-Y493 HydrophobicContact CD2-CD2 3.8Å; Y484-Y493 AromaticContact CD2-CE1 3.54Å; Y484-Y493 HydrophobicContact CD2-CE1 3.54Å; Y484-Y493 AromaticContact CD2-CE2 3.63Å; Y484-Y493 HydrophobicContact CD2-CE2 3.63Å; Y484-Y493 AromaticContact CD2-CG 3.84Å; Y484-Y493 HydrophobicContact CD2-CG 3.84Å; Y484-Y493 AromaticContact CD2-CZ 3.5Å; Y484-Y493 HydrophobicContact CE2-CD2 4.09Å; Y484-Y493 HydrophobicContact CE2-CE1 4.4Å; Y484-Y493 AromaticContact CE2-CE2 3.73Å; Y484-Y493 HydrophobicContact CE2-CE2 3.73Å; Y484-Y493 AromaticContact CE2-CZ 3.91Å; Y484-Y493 HydrophobicContact CG-CD1 4.32Å; Y484-Y493 HydrophobicContact CG-CE1 4.03Å
494	R	93.6	Very high	92.1	Very high	91 Å²	91	65.6 Å²	65.6	34%	0.343	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	131.8	174.6	-164.7	161	-172.6	151.9	-4.3	110.7	F482 H483 E487 V496	F482-R494 CarbonylContact C-O 3.59Å; F482-R494 VanDerWaalsContact CA-O 3.28Å; F482-R494 WeakPolarHBondContact CA-O 3.25Å; H483-R494 PolarHBondContact N-O 3.28Å; H483-R494 PolarHBondContact O-N 3.35Å; E487-R494 IonicContact OE1-NH1 3.88Å; E487-R494 PolarHBondContact OE1-NH1 3.35Å; E487-R494 IonicContact OE2-NH1 2.93Å; E487-R494 PolarHBondContact OE2-NH1 3.03Å; R494-V496 PolarHBondContact O-N 2.79Å
495	S	93	Very high	92	Very high	62 Å²	62	66.4 Å²	66.4	43%	0.434	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	115.6	173.5	-176.7	0	0	0	0	109.1
496	V	94.9	Very high	92.1	Very high	3 Å²	3	69.4 Å²	69.4	2%	0.018	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	-10.1	-177.5	-64.1	0	0	0	0	112.7	F341 I481 H483 R494 L505 N506 L509 I510	F341-V496 HydrophobicContact CE1-CG2 4.45Å; I481-V496 HydrophobicContact CG2-CG2 4.04Å; I481-V496 WeakPolarHBondContact O-CG2 3.31Å; I481-V496 PolarHBondContact O-N 3.47Å; H483-V496 HydrophobicContact CB-CB 4.37Å; H483-V496 HydrophobicContact CB-CG1 3.53Å; H483-V496 HydrophobicContact CB-CG2 3.93Å; R494-V496 PolarHBondContact O-N 2.79Å; V496-L505 HydrophobicContact CG2-CD2 4.48Å; V496-N506 PolarHBondContact O-N 3.34Å; V496-L509 HydrophobicContact CG1-CB 3.96Å; V496-I510 HydrophobicContact CB-CD1 4.36Å; V496-I510 HydrophobicContact CB-CG1 4Å; V496-I510 HydrophobicContact CG1-CG1 3.89Å; V496-I510 HydrophobicContact CG2-CD1 4.41Å; V496-I510 HydrophobicContact CG2-CG1 4.38Å
497	G	94.3	Very high	92	Very high	14 Å²	14	68.6 Å²	68.6	14%	0.144	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.3	-177	177.3	0	0	0	0	0	114.5	I481 T504	I481-G497 PolarHBondContact N-O 3.17Å; I481-G497 PolarHBondContact O-N 3.3Å; G497-T504 CarbonylContact C-O 3.47Å; G497-T504 WeakPolarHBondContact CA-O 3.41Å
498	Y	94.2	Very high	91.9	Very high	88 Å²	88	68.5 Å²	68.5	35%	0.345	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	144.1	-174.7	-178.2	-104.7	0	0	0	109.5	A346 R478 Y479 N480 A500 T504	A346-Y498 HydrophobicContact CB-CE2 3.9Å; R478-Y498 WeakPolarHBondContact CB-OH 3.2Å; R478-Y498 WeakPolarHBondContact CD-OH 3.32Å; R478-Y498 WeakPolarHBondContact CG-OH 3.27Å; Y479-Y498 WeakPolarHBondContact O-CA 3.46Å; Y479-Y498 VanDerWaalsContact O-CD2 3.27Å; Y479-Y498 WeakPolarHBondContact O-CD2 3.44Å; N480-Y498 WeakPolarHBondContact OD1-CD2 3.38Å; Y498-A500 HydrophobicContact CD1-CB 4.21Å; Y498-A500 HydrophobicContact CE1-CB 3.38Å; Y498-T504 PolarHBondContact N-O 3.27Å; Y498-T504 PolarHBondContact O-N 3.08Å
499	W	94.9	Very high	92.1	Very high	4 Å²	4	68 Å²	68	2%	0.015	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	121.6	175.6	-171	94	0	0	0	110.2	Y216 K219 A220 E223 R478 Y479 I481	Y216-W499 AromaticContact CD1-CH2 3.87Å; Y216-W499 HydrophobicContact CD1-CH2 3.87Å; Y216-W499 HydrophobicContact CD1-CZ3 4.34Å; Y216-W499 HydrophobicContact CG-CH2 4.37Å; Y216-W499 HydrophobicContact CG-CZ3 4.48Å; K219-W499 HydrophobicContact CB-CZ2 4.4Å; K219-W499 HydrophobicContact CD-CH2 4.47Å; K219-W499 HydrophobicContact CD-CZ2 3.93Å; K219-W499 HydrophobicContact CG-CZ2 4.03Å; A220-W499 HydrophobicContact CB-CB 4.27Å; A220-W499 HydrophobicContact CB-CD2 3.8Å; A220-W499 HydrophobicContact CB-CE3 4.48Å; A220-W499 HydrophobicContact CB-CG 3.67Å; E223-W499 PolarHBondContact OE2-NE1 3.28Å; R478-W499 WeakPolarHBondContact CA-O 3.34Å; Y479-W499 HydrophobicContact CD2-CD2 4.48Å; Y479-W499 AromaticContact CD2-CE3 3.67Å; Y479-W499 HydrophobicContact CD2-CE3 3.67Å; Y479-W499 HydrophobicContact CD2-CZ3 4.15Å; Y479-W499 HydrophobicContact CE2-CE3 4.17Å; Y479-W499 HydrophobicContact CE2-CZ3 4.19Å; Y479-W499 PolarHBondContact N-O 3.31Å; Y479-W499 PolarHBondContact O-N 3.33Å; I481-W499 HydrophobicContact CD1-CB 4.41Å
500	A	91.3	Very high	92.2	Very high	34 Å²	34	60.3 Å²	60.3	28%	0.281	32%	0.318	S	S	.	.	S	Bend	trans	-147.2	99.5	168.1	0	0	0	0	0	108	R478 Y498 S502	R478-A500 HydrophobicContact CG-CB 4.31Å; Y498-A500 HydrophobicContact CD1-CB 4.21Å; Y498-A500 HydrophobicContact CE1-CB 3.38Å; A500-S502 PolarHBondContact N-O 3.4Å; A500-S502 PolarHBondContact O-N 2.79Å
501	Q	87.8	Confident	92.1	Very high	163 Å²	163	55.5 Å²	55.5	76%	0.762	31%	0.309	S	S	*	.	S	Bend	trans	64.5	-36.1	-170.4	-54.4	-179.6	-9.3	0	0	115.3
502	S	92.1	Very high	91.8	Very high	74 Å²	74	55.3 Å²	55.3	52%	0.517	31%	0.308	S	S	.	.	S	Bend	trans	-130.2	150.5	173.5	59.9	0	0	0	0	111.4	A500	A500-S502 PolarHBondContact N-O 3.4Å; A500-S502 PolarHBondContact O-N 2.79Å
503	L	94.4	Very high	90.6	Very high	32 Å²	32	59.2 Å²	59.2	17%	0.168	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	127.4	176.7	-179.8	64.4	0	0	0	113	E223 I224 Y227 I481 L505	E223-L503 HydrophobicContact CB-CB 4.12Å; E223-L503 HydrophobicContact CB-CD2 4Å; E223-L503 WeakPolarHBondContact O-CD2 3.28Å; E223-L503 PolarHBondContact OE2-N 3.16Å; I224-L503 HydrophobicContact CB-CD2 4.45Å; I224-L503 HydrophobicContact CG1-CD1 3.99Å; I224-L503 HydrophobicContact CG1-CD2 3.94Å; Y227-L503 HydrophobicContact CG-CD2 4.47Å; I481-L503 HydrophobicContact CD1-CD1 3.12Å; L503-L505 HydrophobicContact CD1-CD1 4.29Å; L503-L505 HydrophobicContact CD1-CD2 4.01Å; L503-L505 HydrophobicContact CD1-CG 3.81Å; L503-L505 HydrophobicContact CD2-CD1 3.85Å; L503-L505 HydrophobicContact CD2-CG 4.13Å; L503-L505 HydrophobicContact CG-CD1 4.22Å; L503-L505 HydrophobicContact CG-CG 3.92Å
504	T	95	Very high	89.4	Confident	90 Å²	90	60.7 Å²	60.7	55%	0.552	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.7	115.9	168.8	-55.9	0	0	0	0	109.4	G497 Y498	G497-T504 CarbonylContact C-O 3.47Å; G497-T504 WeakPolarHBondContact CA-O 3.41Å; Y498-T504 PolarHBondContact N-O 3.27Å; Y498-T504 PolarHBondContact O-N 3.08Å
505	L	94	Very high	88.3	Confident	19 Å²	19	65.1 Å²	65.1	10%	0.099	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	140	178	-69.7	177.2	0	0	0	111	Y227 F228 I481 V496 L503	Y227-L505 HydrophobicContact CD1-CD1 3.81Å; Y227-L505 HydrophobicContact CE1-CB 4.46Å; Y227-L505 HydrophobicContact CE1-CD1 4.2Å; Y227-L505 HydrophobicContact CG-CD1 4.07Å; F228-L505 HydrophobicContact CE2-CD1 3.9Å; F228-L505 HydrophobicContact CZ-CD1 3.99Å; I481-L505 HydrophobicContact CB-CD2 4.32Å; I481-L505 HydrophobicContact CD1-CD2 3.75Å; I481-L505 HydrophobicContact CG2-CD2 4.07Å; V496-L505 HydrophobicContact CG2-CD2 4.48Å; L503-L505 HydrophobicContact CD1-CD1 4.29Å; L503-L505 HydrophobicContact CD1-CD2 4.01Å; L503-L505 HydrophobicContact CD1-CG 3.81Å; L503-L505 HydrophobicContact CD2-CD1 3.85Å; L503-L505 HydrophobicContact CD2-CG 4.13Å; L503-L505 HydrophobicContact CG-CD1 4.22Å; L503-L505 HydrophobicContact CG-CG 3.92Å
506	N	93	Very high	87.8	Confident	75 Å²	75	67.2 Å²	67.2	40%	0.401	40%	0.396	S	S	.	.			trans	-101.7	98	168.8	-172.8	-12.3	0	0	0	109.7	V496 S508 L509	V496-N506 PolarHBondContact O-N 3.34Å; N506-S508 PolarHBondContact O-N 3.25Å; N506-S508 WeakPolarHBondContact OD1-CB 3.49Å; N506-S508 PolarHBondContact OD1-N 3.07Å; N506-S508 VanDerWaalsContact OD1-N 3.15Å; N506-S508 PolarHBondContact OD1-OG 2.9Å; N506-L509 HydrophobicContact CB-CD1 4.14Å; N506-L509 HydrophobicContact CB-CG 4.37Å; N506-L509 PolarHBondContact O-N 3.32Å
507	T	88.6	Confident	87.3	Confident	67 Å²	67	69.3 Å²	69.3	41%	0.411	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-66.9	-20	-177.9	53.2	0	0	0	0	113.7	Y227 F228 L509 I510	Y227-T507 HydrophobicContact CE1-CG2 3.63Å; Y227-T507 WeakPolarHBondContact OH-CG2 3.14Å; F228-T507 HydrophobicContact CE1-CG2 4.47Å; T507-L509 PolarHBondContact O-N 3.49Å; T507-I510 PolarHBondContact O-N 3.46Å
508	S	87.9	Confident	87.1	Confident	98 Å²	98	70 Å²	70	69%	0.685	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-68.2	-22.5	177.6	70.6	0	0	0	0	113.1	N506 I510	N506-S508 PolarHBondContact O-N 3.25Å; N506-S508 WeakPolarHBondContact OD1-CB 3.49Å; N506-S508 PolarHBondContact OD1-N 3.07Å; N506-S508 VanDerWaalsContact OD1-N 3.15Å; N506-S508 PolarHBondContact OD1-OG 2.9Å; S508-I510 VanDerWaalsContact C-N 3.33Å
509	L	89.3	Confident	86.8	Confident	54 Å²	54	69.7 Å²	69.7	28%	0.283	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	-89.5	1.1	178.7	-60.3	178.3	0	0	0	113.1	V496 N506 T507 P511	V496-L509 HydrophobicContact CG1-CB 3.96Å; N506-L509 HydrophobicContact CB-CD1 4.14Å; N506-L509 HydrophobicContact CB-CG 4.37Å; N506-L509 PolarHBondContact O-N 3.32Å; T507-L509 PolarHBondContact O-N 3.49Å; L509-P511 WeakPolarHBondContact O-CD 3.29Å
510	I	90.6	Very high	86.7	Confident	8 Å²	8	69.6 Å²	69.6	4%	0.041	42%	0.418	C	S	.	.			trans	-108	101.5	-176.1	-56	172.5	0	0	0	108.8	F228 F341 V496 T507 S508 W512	F228-I510 HydrophobicContact CZ-CD1 3.87Å; F341-I510 HydrophobicContact CE1-CD1 3.83Å; F341-I510 HydrophobicContact CE1-CG1 4.49Å; F341-I510 HydrophobicContact CZ-CD1 4.05Å; F341-I510 HydrophobicContact CZ-CG2 3.88Å; V496-I510 HydrophobicContact CB-CD1 4.36Å; V496-I510 HydrophobicContact CB-CG1 4Å; V496-I510 HydrophobicContact CG1-CG1 3.89Å; V496-I510 HydrophobicContact CG2-CD1 4.41Å; V496-I510 HydrophobicContact CG2-CG1 4.38Å; T507-I510 PolarHBondContact O-N 3.46Å; S508-I510 VanDerWaalsContact C-N 3.33Å; I510-W512 HydrophobicContact CB-CZ2 4.42Å; I510-W512 HydrophobicContact CG2-CD2 4.13Å; I510-W512 HydrophobicContact CG2-CH2 3.99Å; I510-W512 HydrophobicContact CG2-CZ2 3.47Å; I510-W512 VanDerWaalsContact CG2-CZ2 3.47Å; I510-W512 HydrophobicContact CG2-CZ3 4.47Å
511	P	88.1	Confident	86.8	Confident	67 Å²	67	70.3 Å²	70.3	44%	0.435	42%	0.415	S	S	.	.			trans	-75	126.9	174.1	29.2	-32.1	0	0	0	110.4	H485 L509	H485-P511 HydrophobicContact CB-CG 3.86Å; H485-P511 VanDerWaalsContact CD2-CG 3.45Å; H485-P511 WeakPolarHBondContact CD2-CG 3.41Å; L509-P511 WeakPolarHBondContact O-CD 3.29Å
512	W	84.4	Confident	86.9	Confident	50 Å²	50	63.4 Å²	63.4	19%	0.189	39%	0.385	C	S	.	.			trans	-103.3	134	174.7	-59.9	104.4	0	0	0	111	F228 W230 F341 I510 G514 H515 V517 P518	F228-W512 HydrophobicContact CD1-CH2 4.29Å; F228-W512 AromaticContact CD1-CZ2 3.99Å; F228-W512 HydrophobicContact CD1-CZ2 3.99Å; F228-W512 HydrophobicContact CE1-CH2 4.08Å; F228-W512 AromaticContact CE1-CZ2 3.51Å; F228-W512 HydrophobicContact CE1-CZ2 3.51Å; F228-W512 HydrophobicContact CE2-CH2 4.5Å; F228-W512 HydrophobicContact CZ-CH2 4.19Å; F228-W512 AromaticContact CZ-CZ2 3.85Å; F228-W512 HydrophobicContact CZ-CZ2 3.85Å; W230-W512 HydrophobicContact CH2-CH2 4.1Å; W230-W512 HydrophobicContact CH2-CZ3 4.44Å; W230-W512 HydrophobicContact CZ2-CH2 4.01Å; W230-W512 HydrophobicContact CZ2-CZ3 4.18Å; F341-W512 AromaticContact CE2-CH2 3.73Å; F341-W512 HydrophobicContact CE2-CH2 3.73Å; F341-W512 HydrophobicContact CE2-CZ3 4.15Å; F341-W512 AromaticContact CZ-CH2 3.65Å; F341-W512 HydrophobicContact CZ-CH2 3.65Å; F341-W512 HydrophobicContact CZ-CZ2 4.2Å; F341-W512 HydrophobicContact CZ-CZ3 4.42Å; I510-W512 HydrophobicContact CB-CZ2 4.42Å; I510-W512 HydrophobicContact CG2-CD2 4.13Å; I510-W512 HydrophobicContact CG2-CH2 3.99Å; I510-W512 HydrophobicContact CG2-CZ2 3.47Å; I510-W512 VanDerWaalsContact CG2-CZ2 3.47Å; I510-W512 HydrophobicContact CG2-CZ3 4.47Å; W512-G514 PolarHBondContact O-N 3.48Å; W512-H515 PolarHBondContact O-N 2.96Å; W512-H515 VanDerWaalsContact O-N 3.08Å; W512-V517 HydrophobicContact CD2-CG2 4.24Å; W512-V517 HydrophobicContact CH2-CG1 4.11Å; W512-V517 HydrophobicContact CZ2-CG1 4.24Å; W512-V517 HydrophobicContact CZ2-CG2 3.95Å; W512-V517 HydrophobicContact CZ3-CG1 4.38Å; W512-P518 VanDerWaalsContact CE3-CD 3.46Å; W512-P518 HydrophobicContact CE3-CG 4.41Å; W512-P518 HydrophobicContact CZ3-CG 4.16Å
513	S	69.1	Low	86.8	Confident	118 Å²	118	60.8 Å²	60.8	83%	0.825	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	102.8	170.6	55.9	0	0	0	0	109.8
514	G	67	Low	86.5	Confident	63 Å²	63	64.6 Å²	64.6	65%	0.649	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.1	16.6	-177.5	0	0	0	0	0	115.7	W512 V516	W512-G514 PolarHBondContact O-N 3.48Å; G514-V516 PolarHBondContact O-N 3.14Å
515	H	71.4	Confident	86.1	Confident	185 Å²	185	64.9 Å²	64.9	86%	0.856	39%	0.391	S	S	*	.	S	Bend	trans	61.9	7.3	177.5	-57.5	-73.9	0	0	0	116.4	W512	W512-H515 PolarHBondContact O-N 2.96Å; W512-H515 VanDerWaalsContact O-N 3.08Å
516	V	81.4	Confident	85.9	Confident	106 Å²	106	65.3 Å²	65.3	64%	0.642	40%	0.395	S	S	*	.	S	Bend	trans	-128.2	139.1	179.1	-173.3	0	0	0	0	109.5	G514	G514-V516 PolarHBondContact O-N 3.14Å
517	V	85.4	Confident	85.6	Confident	47 Å²	47	70.7 Å²	70.7	29%	0.285	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-61.5	131.4	175.4	-176.5	0	0	0	0	109.2	F228 W230 W512 T519	F228-V517 HydrophobicContact CB-CG1 4.13Å; F228-V517 HydrophobicContact CD1-CG1 4Å; F228-V517 HydrophobicContact CD1-CG2 4.32Å; F228-V517 HydrophobicContact CG-CG1 4.34Å; W230-V517 HydrophobicContact CZ2-CG1 3.96Å; W512-V517 HydrophobicContact CD2-CG2 4.24Å; W512-V517 HydrophobicContact CH2-CG1 4.11Å; W512-V517 HydrophobicContact CZ2-CG1 4.24Å; W512-V517 HydrophobicContact CZ2-CG2 3.95Å; W512-V517 HydrophobicContact CZ3-CG1 4.38Å; V517-T519 PolarHBondContact O-N 3.02Å
518	P	88.3	Confident	85.2	Confident	28 Å²	28	76.1 Å²	76.1	18%	0.182	43%	0.428	C	S	.	.	P	Polyproline II helix	trans	-62.5	136.6	178.4	25.7	-33.7	0	0	0	110.4	W230 W512	W230-P518 HydrophobicContact CZ2-CG 4.05Å; W230-P518 PolarHBondContact NE1-O 3.42Å; W512-P518 VanDerWaalsContact CE3-CD 3.46Å; W512-P518 HydrophobicContact CE3-CG 4.41Å; W512-P518 HydrophobicContact CZ3-CG 4.16Å
519	T	89.3	Confident	85	Confident	82 Å²	82	74.8 Å²	74.8	50%	0.503	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-85	131.5	175.3	51.8	0	0	0	0	110.8	K290 V517	K290-T519 WeakPolarHBondContact CD-O 3.19Å; V517-T519 PolarHBondContact O-N 3.02Å
520	S	93.4	Very high	85.1	Confident	1 Å²	1	74.4 Å²	74.4	1%	0.007	41%	0.409	C	S	.	.			trans	-131.1	86.9	175.3	-157	0	0	0	0	108.7	T231 Y232 K290 V291	T231-S520 PolarHBondContact N-O 2.7Å; Y232-S520 PolarHBondContact N-O 3.23Å; Y232-S520 WeakPolarHBondContact O-CB 3.28Å; Y232-S520 PolarHBondContact O-OG 2.71Å; K290-S520 PolarHBondContact N-OG 2.88Å; V291-S520 PolarHBondContact N-OG 3.49Å
521	Q	91.8	Very high	85	Confident	49 Å²	49	75.2 Å²	75.2	23%	0.229	41%	0.414	C	S	.	.			trans	-140.7	145.6	-175.7	67.5	-168.5	22.9	0	0	109.5	N288 D524	N288-Q521 WeakPolarHBondContact CB-O 3.45Å; Q521-D524 PolarHBondContact NE2-OD1 3.36Å
522	C	91.2	Very high	85.1	Confident	18 Å²	18	74 Å²	74	12%	0.122	40%	0.401	C	S	.	.	S	Bend	trans	-69.2	-47.2	-174.3	-172.6	0	0	0	0	112	Y232 N288 C540 C541	Y232-C522 VanDerWaalsContact CB-N 3.34Å; Y232-C522 HydrophobicContact CD1-CB 4.01Å; Y232-C522 HydrophobicContact CD2-CB 3.7Å; Y232-C522 HydrophobicContact CE1-CB 4.25Å; Y232-C522 HydrophobicContact CE2-CB 3.96Å; Y232-C522 HydrophobicContact CG-CB 3.72Å; N288-C522 PolarHBondContact ND2-O 3.25Å; C522-C540 WeakPolarHBondContact CB-O 3.26Å; C522-C541 HydrophobicContact CB-CB 3.97Å; C522-C541 WeakPolarHBondContact CB-SG 3.25Å; C522-C541 WeakPolarHBondContact SG-CB 3.16Å; C522-C541 CovalentContact SG-SG 2.03Å; C522-C541 PolarHBondContact SG-SG 3.37Å
523	S	89.4	Confident	85.4	Confident	19 Å²	19	73.7 Å²	73.7	13%	0.133	41%	0.407	C	S	.	.	S	Bend	trans	-126.7	142.2	-178.6	-61	0	0	0	0	110	W542	S523-W542 WeakPolarHBondContact CB-O 3.49Å; S523-W542 VanDerWaalsContact O-CZ2 3.32Å; S523-W542 WeakPolarHBondContact O-CZ2 3.31Å; S523-W542 PolarHBondContact OG-N 3.44Å; S523-W542 PolarHBondContact OG-O 3.48Å
524	D	87.7	Confident	86.3	Confident	113 Å²	113	71.5 Å²	71.5	60%	0.604	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-72.3	155	174.3	-68.4	-39.6	0	0	0	111.6	Q521 C526 W542	Q521-D524 PolarHBondContact NE2-OD1 3.36Å; D524-C526 PolarHBondContact O-N 3.25Å; D524-W542 PolarHBondContact O-NE1 2.83Å
525	P	88	Confident	87	Confident	96 Å²	96	72.7 Å²	72.7	62%	0.623	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-54.9	129.4	172	-24.8	33.3	0	0	0	111.2
526	C	89.1	Confident	87.3	Confident	27 Å²	27	70.1 Å²	70.1	18%	0.182	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-65.1	152.9	178.8	-61.5	0	0	0	0	111.9	D524 E530 K532 W542 C544	D524-C526 PolarHBondContact O-N 3.25Å; C526-E530 HydrophobicContact CB-CB 3.97Å; C526-K532 HydrophobicContact CB-CG 4.44Å; C526-W542 VanDerWaalsContact SG-CD1 3.55Å; C526-C544 WeakPolarHBondContact CA-SG 3.49Å; C526-C544 HydrophobicContact CB-CB 3.75Å; C526-C544 WeakPolarHBondContact CB-SG 3.48Å; C526-C544 WeakPolarHBondContact SG-CA 3.4Å; C526-C544 WeakPolarHBondContact SG-CB 3.37Å; C526-C544 CovalentContact SG-SG 2.04Å; C526-C544 PolarHBondContact SG-SG 2.95Å
527	R	85.8	Confident	86.9	Confident	189 Å²	189	69.1 Å²	69.1	71%	0.713	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-69.1	161.3	174.9	-61.5	175.8	177.2	179	0.4	109.8	N529 E530	R527-N529 PolarHBondContact O-N 3.3Å; R527-E530 HydrophobicContact CB-CG 4.31Å; R527-E530 WeakPolarHBondContact CB-OE2 3.48Å; R527-E530 PolarHBondContact N-OE2 3.19Å; R527-E530 PolarHBondContact O-N 2.89Å
528	K	80.4	Confident	86.3	Confident	181 Å²	181	70.1 Å²	70.1	79%	0.787	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-18.8	-178.8	-65.4	-173.8	178.2	-176.6	0	115.1
529	N	84.8	Confident	85.8	Confident	69 Å²	69	73.5 Å²	73.5	37%	0.369	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	13.6	177.9	-168.5	31.4	0	0	0	113.2	R527 P546 C547 L572	R527-N529 PolarHBondContact O-N 3.3Å; N529-P546 WeakPolarHBondContact O-CA 3.34Å; N529-C547 PolarHBondContact O-N 3.2Å; N529-L572 HydrophobicContact CB-CD1 3.53Å; N529-L572 WeakPolarHBondContact OD1-CD1 3.18Å
530	E	89.8	Confident	85.7	Confident	46 Å²	46	70 Å²	70	22%	0.215	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	139.6	-175.9	-66.9	165.3	177	0	0	109.7	C526 R527 C544 I545 P546	C526-E530 HydrophobicContact CB-CB 3.97Å; R527-E530 HydrophobicContact CB-CG 4.31Å; R527-E530 WeakPolarHBondContact CB-OE2 3.48Å; R527-E530 PolarHBondContact N-OE2 3.19Å; R527-E530 PolarHBondContact O-N 2.89Å; E530-C544 HydrophobicContact CB-CB 3.96Å; E530-C544 HydrophobicContact CG-CB 4.36Å; E530-C544 WeakPolarHBondContact OE2-CB 3.24Å; E530-I545 CarbonylContact C-O 3.5Å; E530-I545 WeakPolarHBondContact CA-O 3.26Å; E530-P546 HydrophobicContact CG-CB 4.36Å
531	I	89.8	Confident	85.5	Confident	26 Å²	26	70.1 Å²	70.1	13%	0.133	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	149.7	171.2	54.4	167.1	0	0	0	110.6	C544 I545 L553 E556 C559	I531-C544 WeakPolarHBondContact O-CA 3.36Å; I531-I545 HydrophobicContact CG1-CB 4.08Å; I531-I545 WeakPolarHBondContact CG1-O 3.32Å; I531-I545 PolarHBondContact N-O 2.95Å; I531-I545 PolarHBondContact O-N 2.81Å; I531-L553 HydrophobicContact CG2-CD1 3.38Å; I531-E556 CarbonylContact C-O 3.22Å; I531-E556 WeakPolarHBondContact CA-O 3.12Å; I531-C559 WeakPolarHBondContact CG2-SG 3.43Å
532	K	90.4	Very high	85.4	Confident	40 Å²	40	70 Å²	70	17%	0.174	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	123.6	169.2	-64	176	-176	169.7	0	108.8	C526 W542 E556 F557	C526-K532 HydrophobicContact CB-CG 4.44Å; K532-W542 HydrophobicContact CB-CB 4.14Å; K532-W542 HydrophobicContact CB-CG 4.11Å; K532-W542 HydrophobicContact CD-CD2 4.28Å; K532-W542 HydrophobicContact CD-CG 4.4Å; K532-W542 HydrophobicContact CG-CD2 4.42Å; K532-W542 HydrophobicContact CG-CG 4.04Å; K532-E556 HydrophobicContact CD-CB 4.39Å; K532-E556 PolarHBondContact N-O 3.13Å; K532-E556 IonicContact NZ-OE1 2.66Å; K532-E556 IonicContact NZ-OE2 2.85Å; K532-E556 PolarHBondContact NZ-OE2 3.34Å; K532-F557 HydrophobicContact CB-CD1 3.92Å; K532-F557 HydrophobicContact CB-CE1 3.85Å; K532-F557 HydrophobicContact CD-CE1 4.4Å; K532-F557 HydrophobicContact CD-CZ 4.48Å; K532-F557 WeakPolarHBondContact O-CD1 3.35Å
533	S	90	Very high	85.4	Confident	45 Å²	45	73 Å²	73	32%	0.315	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	112.8	168.5	-179.2	0	0	0	0	109	W542 I543	S533-W542 CarbonylContact O-C 3.56Å; S533-W542 WeakPolarHBondContact O-CA 3.25Å; S533-W542 WeakPolarHBondContact O-CB 3.16Å; S533-I543 PolarHBondContact N-O 2.91Å; S533-I543 PolarHBondContact O-N 3.39Å
534	M	87.3	Confident	85.5	Confident	71 Å²	71	74.5 Å²	74.5	35%	0.35	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	136.1	-175.8	-62.9	-56.9	-67.1	0	0	110.9	D538 V539 W542 F557	M534-D538 WeakPolarHBondContact CE-O 3.26Å; M534-V539 WeakPolarHBondContact CE-O 3.14Å; M534-W542 HydrophobicContact SD-CB 3.96Å; M534-W542 HydrophobicContact SD-CE3 4.36Å; M534-F557 HydrophobicContact CG-CE1 4.1Å; M534-F557 HydrophobicContact SD-CE1 4.06Å
535	Q	83.1	Confident	85.7	Confident	88 Å²	88	72.4 Å²	72.4	41%	0.411	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-71.4	141.7	173.2	-68.6	-163.1	-0.2	0	0	110.8	G537 D538 C541	Q535-G537 PolarHBondContact O-N 2.88Å; Q535-G537 VanDerWaalsContact O-N 3.14Å; Q535-D538 HydrophobicContact CB-CB 4.39Å; Q535-D538 PolarHBondContact O-N 3.01Å; Q535-D538 VanDerWaalsContact O-N 3.15Å; Q535-C541 PolarHBondContact N-O 2.81Å
536	P	76.6	Confident	85.8	Confident	132 Å²	132	71.5 Å²	71.5	86%	0.857	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	119.8	-179.3	-20.7	31	0	0	0	111.5
537	G	73.4	Confident	85.7	Confident	84 Å²	84	70.7 Å²	70.7	87%	0.866	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.8	-9	178.1	0	0	0	0	0	115.5	Q535	Q535-G537 PolarHBondContact O-N 2.88Å; Q535-G537 VanDerWaalsContact O-N 3.14Å
538	D	73.1	Confident	85.8	Confident	69 Å²	69	66.4 Å²	66.4	37%	0.369	37%	0.373	S	S	.	.			trans	-109.7	136.9	178.1	-79.8	-40.6	0	0	0	112	M534 Q535 C541	M534-D538 WeakPolarHBondContact CE-O 3.26Å; Q535-D538 HydrophobicContact CB-CB 4.39Å; Q535-D538 PolarHBondContact O-N 3.01Å; Q535-D538 VanDerWaalsContact O-N 3.15Å; D538-C541 HydrophobicContact CB-CB 3.9Å
539	V	78.7	Confident	86	Confident	99 Å²	99	62 Å²	62	60%	0.6	36%	0.363	S	S	*	.	S	Bend	trans	-96.2	-16.6	-178.8	-173.1	0	0	0	0	112.5	M534	M534-V539 WeakPolarHBondContact CE-O 3.14Å
540	C	85.9	Confident	86	Confident	9 Å²	9	62 Å²	62	6%	0.061	36%	0.358	C	S	.	.	S	Bend	trans	-118.1	-5.6	-175.1	-42	0	0	0	0	113.8	C260 C522 W542	C260-C540 HydrophobicContact CB-CB 3.61Å; C260-C540 WeakPolarHBondContact CB-SG 3.39Å; C260-C540 PolarHBondContact N-SG 3.36Å; C260-C540 VanDerWaalsContact N-SG 3.39Å; C260-C540 WeakPolarHBondContact SG-CB 3.39Å; C260-C540 PolarHBondContact SG-N 3.08Å; C260-C540 CovalentContact SG-SG 2.03Å; C260-C540 PolarHBondContact SG-SG 2.91Å; C522-C540 WeakPolarHBondContact CB-O 3.26Å; C540-W542 WeakPolarHBondContact O-CZ3 3.37Å
541	C	89.6	Confident	85.9	Confident	3 Å²	3	61.3 Å²	61.3	2%	0.02	36%	0.355	C	S	.	.			trans	-108.1	119.2	-177.9	-59.7	0	0	0	0	109.4	C522 Q535 D538	C522-C541 HydrophobicContact CB-CB 3.97Å; C522-C541 WeakPolarHBondContact CB-SG 3.25Å; C522-C541 WeakPolarHBondContact SG-CB 3.16Å; C522-C541 CovalentContact SG-SG 2.03Å; C522-C541 PolarHBondContact SG-SG 3.37Å; Q535-C541 PolarHBondContact N-O 2.81Å; D538-C541 HydrophobicContact CB-CB 3.9Å
542	W	90.1	Very high	85.8	Confident	46 Å²	46	62.9 Å²	62.9	17%	0.174	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	155.5	174.9	56.9	82	0	0	0	111.2	S523 D524 C526 K532 S533 M534 C540	S523-W542 WeakPolarHBondContact CB-O 3.49Å; S523-W542 VanDerWaalsContact O-CZ2 3.32Å; S523-W542 WeakPolarHBondContact O-CZ2 3.31Å; S523-W542 PolarHBondContact OG-N 3.44Å; S523-W542 PolarHBondContact OG-O 3.48Å; D524-W542 PolarHBondContact O-NE1 2.83Å; C526-W542 VanDerWaalsContact SG-CD1 3.55Å; K532-W542 HydrophobicContact CB-CB 4.14Å; K532-W542 HydrophobicContact CB-CG 4.11Å; K532-W542 HydrophobicContact CD-CD2 4.28Å; K532-W542 HydrophobicContact CD-CG 4.4Å; K532-W542 HydrophobicContact CG-CD2 4.42Å; K532-W542 HydrophobicContact CG-CG 4.04Å; S533-W542 CarbonylContact O-C 3.56Å; S533-W542 WeakPolarHBondContact O-CA 3.25Å; S533-W542 WeakPolarHBondContact O-CB 3.16Å; M534-W542 HydrophobicContact SD-CB 3.96Å; M534-W542 HydrophobicContact SD-CE3 4.36Å; C540-W542 WeakPolarHBondContact O-CZ3 3.37Å
543	I	90.9	Very high	85.7	Confident	82 Å²	82	63.3 Å²	63.3	42%	0.421	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	143	166	63.4	175.4	0	0	0	108.8	S533 I545	S533-I543 PolarHBondContact N-O 2.91Å; S533-I543 PolarHBondContact O-N 3.39Å; I543-I545 HydrophobicContact CD1-CD1 4.15Å; I543-I545 HydrophobicContact CD1-CG1 4.25Å; I543-I545 HydrophobicContact CG1-CD1 4.3Å; I543-I545 HydrophobicContact CG1-CG1 4.13Å
544	C	91.9	Very high	85.5	Confident	49 Å²	49	66.4 Å²	66.4	33%	0.331	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	119.3	177.8	-58.5	0	0	0	0	109.1	C526 E530 I531	C526-C544 WeakPolarHBondContact CA-SG 3.49Å; C526-C544 HydrophobicContact CB-CB 3.75Å; C526-C544 WeakPolarHBondContact CB-SG 3.48Å; C526-C544 WeakPolarHBondContact SG-CA 3.4Å; C526-C544 WeakPolarHBondContact SG-CB 3.37Å; C526-C544 CovalentContact SG-SG 2.04Å; C526-C544 PolarHBondContact SG-SG 2.95Å; E530-C544 HydrophobicContact CB-CB 3.96Å; E530-C544 HydrophobicContact CG-CB 4.36Å; E530-C544 WeakPolarHBondContact OE2-CB 3.24Å; I531-C544 WeakPolarHBondContact O-CA 3.36Å
545	I	90.6	Very high	85.3	Confident	69 Å²	69	67.7 Å²	67.7	35%	0.354	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	125.6	-178.7	-56.2	179.3	0	0	0	108.5	E530 I531 I543	E530-I545 CarbonylContact C-O 3.5Å; E530-I545 WeakPolarHBondContact CA-O 3.26Å; I531-I545 HydrophobicContact CG1-CB 4.08Å; I531-I545 WeakPolarHBondContact CG1-O 3.32Å; I531-I545 PolarHBondContact N-O 2.95Å; I531-I545 PolarHBondContact O-N 2.81Å; I543-I545 HydrophobicContact CD1-CD1 4.15Å; I543-I545 HydrophobicContact CD1-CG1 4.25Å; I543-I545 HydrophobicContact CG1-CD1 4.3Å; I543-I545 HydrophobicContact CG1-CG1 4.13Å
546	P	89.9	Confident	85.4	Confident	78 Å²	78	68.8 Å²	68.8	51%	0.506	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	138.3	-179.3	28.4	-34.3	0	0	0	111.9	N529 E530	N529-P546 WeakPolarHBondContact O-CA 3.34Å; E530-P546 HydrophobicContact CG-CB 4.36Å
547	C	88.3	Confident	86	Confident	10 Å²	10	67.6 Å²	67.6	7%	0.068	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-69.2	155.4	169.5	-62.3	0	0	0	0	111	N529 Q551 C559	N529-C547 PolarHBondContact O-N 3.2Å; C547-Q551 HydrophobicContact CB-CB 4.22Å; C547-C559 WeakPolarHBondContact CA-SG 3.41Å; C547-C559 HydrophobicContact CB-CB 3.84Å; C547-C559 WeakPolarHBondContact CB-SG 3.44Å; C547-C559 WeakPolarHBondContact SG-CB 3.32Å; C547-C559 CovalentContact SG-SG 2.04Å; C547-C559 PolarHBondContact SG-SG 3.36Å
548	Q	87.6	Confident	86.7	Confident	99 Å²	99	66.9 Å²	66.9	46%	0.463	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-71	157.7	173.6	-62.6	-63.5	-35.7	0	0	111.5	Y550 Q551	Q548-Y550 HydrophobicContact CB-CD1 4.11Å; Q548-Y550 HydrophobicContact CB-CE1 3.63Å; Q548-Y550 HydrophobicContact CB-CE2 4.23Å; Q548-Y550 HydrophobicContact CG-CE1 4.25Å; Q548-Y550 PolarHBondContact O-N 3.41Å; Q548-Y550 VanDerWaalsContact O-N 3.08Å; Q548-Q551 HydrophobicContact CB-CB 4.45Å; Q548-Q551 HydrophobicContact CB-CG 4.03Å; Q548-Q551 WeakPolarHBondContact O-CB 3.45Å; Q548-Q551 PolarHBondContact O-N 3.07Å
549	P	84.6	Confident	87.6	Confident	88 Å²	88	64.8 Å²	64.8	57%	0.571	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-20.4	-175	-23.9	34	0	0	0	115.8	W567 P568	P549-W567 HydrophobicContact CB-CZ2 4.34Å; P549-P568 WeakPolarHBondContact O-CG 3.47Å
550	Y	84.2	Confident	88.1	Confident	68 Å²	68	60.9 Å²	60.9	27%	0.267	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	6.8	179.3	55.2	-92.7	0	0	0	112.6	Q548 D561 C562	Q548-Y550 HydrophobicContact CB-CD1 4.11Å; Q548-Y550 HydrophobicContact CB-CE1 3.63Å; Q548-Y550 HydrophobicContact CB-CE2 4.23Å; Q548-Y550 HydrophobicContact CG-CE1 4.25Å; Q548-Y550 PolarHBondContact O-N 3.41Å; Q548-Y550 VanDerWaalsContact O-N 3.08Å; Y550-D561 WeakPolarHBondContact CE2-OD1 3.5Å; Y550-C562 PolarHBondContact O-N 3.28Å; Y550-C562 VanDerWaalsContact O-N 3.1Å
551	Q	86.9	Confident	88.2	Confident	33 Å²	33	64.7 Å²	64.7	15%	0.154	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	152.5	179.4	-71.9	176.2	-23.3	0	0	110.8	C547 Q548 C559 A560 D561 P568	C547-Q551 HydrophobicContact CB-CB 4.22Å; Q548-Q551 HydrophobicContact CB-CB 4.45Å; Q548-Q551 HydrophobicContact CB-CG 4.03Å; Q548-Q551 WeakPolarHBondContact O-CB 3.45Å; Q548-Q551 PolarHBondContact O-N 3.07Å; Q551-C559 HydrophobicContact CB-CB 4.09Å; Q551-C559 HydrophobicContact CG-CB 4.49Å; Q551-A560 CarbonylContact C-O 3.11Å; Q551-A560 WeakPolarHBondContact CA-O 3.4Å; Q551-A560 WeakPolarHBondContact CB-O 3.14Å; Q551-D561 WeakPolarHBondContact CG-OD1 3.3Å; Q551-D561 PolarHBondContact NE2-OD1 3.2Å; Q551-P568 WeakPolarHBondContact O-CB 3.39Å
552	Y	88.3	Confident	88	Confident	58 Å²	58	65.3 Å²	65.3	23%	0.227	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	160.7	170.4	76.6	-82.3	0	0	0	109.8	Q554 C559 A560 L572 C575	Y552-Q554 HydrophobicContact CE2-CB 4.28Å; Y552-Q554 PolarHBondContact O-N 2.71Å; Y552-C559 WeakPolarHBondContact O-CA 3.3Å; Y552-A560 HydrophobicContact CD1-CB 4.21Å; Y552-A560 VanDerWaalsContact CD1-O 3.27Å; Y552-A560 WeakPolarHBondContact CD1-O 3.29Å; Y552-A560 HydrophobicContact CE1-CB 3.6Å; Y552-A560 PolarHBondContact N-O 2.89Å; Y552-A560 PolarHBondContact O-N 3.11Å; Y552-L572 WeakPolarHBondContact CB-O 3.3Å; Y552-C575 VanDerWaalsContact CD1-SG 3.58Å
553	L	88.9	Confident	87.8	Confident	49 Å²	49	66.3 Å²	66.3	26%	0.257	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	106.9	-179.6	-169.3	73.7	0	0	0	108.8	I531 D555 L572	I531-L553 HydrophobicContact CG2-CD1 3.38Å; L553-D555 VanDerWaalsContact CD1-O 3.28Å; L553-D555 WeakPolarHBondContact CD1-O 2.94Å; L553-L572 HydrophobicContact CB-CB 4.4Å; L553-L572 PolarHBondContact N-O 3.22Å
554	Q	85.4	Confident	87.3	Confident	110 Å²	110	71.4 Å²	71.4	51%	0.514	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	-49.3	176.7	-177.7	176.3	0.7	0	0	110.5	Y552 T558 A560	Y552-Q554 HydrophobicContact CE2-CB 4.28Å; Y552-Q554 PolarHBondContact O-N 2.71Å; Q554-T558 PolarHBondContact N-O 3.45Å; Q554-T558 VanDerWaalsContact N-O 3.1Å; Q554-A560 HydrophobicContact CB-CB 4.08Å
555	D	83.6	Confident	86.6	Confident	98 Å²	98	69.8 Å²	69.8	52%	0.524	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	167.3	176.8	-71.9	-49.6	0	0	0	109.2	L553 F557 T558	L553-D555 VanDerWaalsContact CD1-O 3.28Å; L553-D555 WeakPolarHBondContact CD1-O 2.94Å; D555-F557 PolarHBondContact O-N 2.99Å; D555-T558 PolarHBondContact N-O 3.26Å; D555-T558 PolarHBondContact O-N 3.28Å; D555-T558 VanDerWaalsContact O-N 3.11Å
556	E	84.9	Confident	86.3	Confident	111 Å²	111	69.3 Å²	69.3	52%	0.519	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-14.5	177.1	-65	-166.8	151.9	0	0	113.9	I531 K532	I531-E556 CarbonylContact C-O 3.22Å; I531-E556 WeakPolarHBondContact CA-O 3.12Å; K532-E556 HydrophobicContact CD-CB 4.39Å; K532-E556 PolarHBondContact N-O 3.13Å; K532-E556 IonicContact NZ-OE1 2.66Å; K532-E556 IonicContact NZ-OE2 2.85Å; K532-E556 PolarHBondContact NZ-OE2 3.34Å
557	F	88.3	Confident	86.2	Confident	108 Å²	108	68.6 Å²	68.6	47%	0.474	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.8	-4.4	-177.3	-58.3	-83.4	0	0	0	113.7	K532 M534 D555	K532-F557 HydrophobicContact CB-CD1 3.92Å; K532-F557 HydrophobicContact CB-CE1 3.85Å; K532-F557 HydrophobicContact CD-CE1 4.4Å; K532-F557 HydrophobicContact CD-CZ 4.48Å; K532-F557 WeakPolarHBondContact O-CD1 3.35Å; M534-F557 HydrophobicContact CG-CE1 4.1Å; M534-F557 HydrophobicContact SD-CE1 4.06Å; D555-F557 PolarHBondContact O-N 2.99Å
558	T	89.3	Confident	86.2	Confident	68 Å²	68	68.6 Å²	68.6	42%	0.417	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	125.1	-170.5	-55.8	0	0	0	0	112.6	Q554 D555	Q554-T558 PolarHBondContact N-O 3.45Å; Q554-T558 VanDerWaalsContact N-O 3.1Å; D555-T558 PolarHBondContact N-O 3.26Å; D555-T558 PolarHBondContact O-N 3.28Å; D555-T558 VanDerWaalsContact O-N 3.11Å
559	C	90.8	Very high	86.2	Confident	25 Å²	25	67 Å²	67	17%	0.169	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	135.5	167.5	-47.2	0	0	0	0	109	I531 C547 Q551 Y552	I531-C559 WeakPolarHBondContact CG2-SG 3.43Å; C547-C559 WeakPolarHBondContact CA-SG 3.41Å; C547-C559 HydrophobicContact CB-CB 3.84Å; C547-C559 WeakPolarHBondContact CB-SG 3.44Å; C547-C559 WeakPolarHBondContact SG-CB 3.32Å; C547-C559 CovalentContact SG-SG 2.04Å; C547-C559 PolarHBondContact SG-SG 3.36Å; Q551-C559 HydrophobicContact CB-CB 4.09Å; Q551-C559 HydrophobicContact CG-CB 4.49Å; Y552-C559 WeakPolarHBondContact O-CA 3.3Å
560	A	89.4	Confident	86.1	Confident	18 Å²	18	68.3 Å²	68.3	15%	0.149	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	144.5	176.5	0	0	0	0	0	110.9	Q551 Y552 Q554	Q551-A560 CarbonylContact C-O 3.11Å; Q551-A560 WeakPolarHBondContact CA-O 3.4Å; Q551-A560 WeakPolarHBondContact CB-O 3.14Å; Y552-A560 HydrophobicContact CD1-CB 4.21Å; Y552-A560 VanDerWaalsContact CD1-O 3.27Å; Y552-A560 WeakPolarHBondContact CD1-O 3.29Å; Y552-A560 HydrophobicContact CE1-CB 3.6Å; Y552-A560 PolarHBondContact N-O 2.89Å; Y552-A560 PolarHBondContact O-N 3.11Å; Q554-A560 HydrophobicContact CB-CB 4.08Å
561	D	88.3	Confident	86.1	Confident	89 Å²	89	69.6 Å²	69.6	48%	0.476	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	137.5	177.2	-73.8	-3.3	0	0	0	110.9	Y550 Q551	Y550-D561 WeakPolarHBondContact CE2-OD1 3.5Å; Q551-D561 WeakPolarHBondContact CG-OD1 3.3Å; Q551-D561 PolarHBondContact NE2-OD1 3.2Å
562	C	86.4	Confident	85.9	Confident	16 Å²	16	69.1 Å²	69.1	11%	0.108	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-68	152.1	164.6	-70.8	0	0	0	0	111	Y550 E566 P568 C575	Y550-C562 PolarHBondContact O-N 3.28Å; Y550-C562 VanDerWaalsContact O-N 3.1Å; C562-E566 HydrophobicContact CB-CB 4.21Å; C562-P568 VanDerWaalsContact SG-N 3.45Å; C562-C575 WeakPolarHBondContact CA-SG 3.46Å; C562-C575 HydrophobicContact CB-CB 3.82Å; C562-C575 WeakPolarHBondContact CB-SG 3.27Å; C562-C575 WeakPolarHBondContact SG-CB 3.28Å; C562-C575 CovalentContact SG-SG 2.04Å; C562-C575 PolarHBondContact SG-SG 2.86Å
563	S	85.5	Confident	85.7	Confident	66 Å²	66	70.8 Å²	70.8	46%	0.462	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-72.6	167.1	-179.2	81.8	0	0	0	0	111.9	G565 E566	S563-G565 PolarHBondContact O-N 2.61Å; S563-G565 VanDerWaalsContact O-N 3.14Å; S563-E566 WeakPolarHBondContact CB-OE2 3.49Å; S563-E566 PolarHBondContact N-OE2 2.82Å; S563-E566 PolarHBondContact O-N 3.33Å; S563-E566 PolarHBondContact OG-OE2 3.33Å
564	F	79.6	Confident	85.6	Confident	190 Å²	190	69.2 Å²	69.2	83%	0.833	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	117.8	-175.1	-75	-80.7	0	0	0	111.9
565	G	78.1	Confident	85.8	Confident	14 Å²	14	65.8 Å²	65.8	14%	0.144	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	93.4	6.1	-177.8	0	0	0	0	0	114.1	S563 L578	S563-G565 PolarHBondContact O-N 2.61Å; S563-G565 VanDerWaalsContact O-N 3.14Å; G565-L578 WeakPolarHBondContact O-CB 3.32Å; G565-L578 PolarHBondContact O-N 3.3Å
566	E	84.4	Confident	86.1	Confident	60 Å²	60	66.1 Å²	66.1	28%	0.28	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	158.3	172.5	-61.3	179.2	148.3	0	0	111.4	C562 S563 C575 Y576	C562-E566 HydrophobicContact CB-CB 4.21Å; S563-E566 WeakPolarHBondContact CB-OE2 3.49Å; S563-E566 PolarHBondContact N-OE2 2.82Å; S563-E566 PolarHBondContact O-N 3.33Å; S563-E566 PolarHBondContact OG-OE2 3.33Å; E566-C575 HydrophobicContact CB-CB 3.9Å; E566-Y576 CarbonylContact C-O 3.47Å; E566-Y576 VanDerWaalsContact CA-O 3.22Å; E566-Y576 WeakPolarHBondContact CA-O 3.37Å
567	W	86.6	Confident	86.1	Confident	63 Å²	63	66.6 Å²	66.6	24%	0.239	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	146.4	178.7	-159.3	-92.9	0	0	0	111.2	P549 C575 Y576 L578 R736 D737	P549-W567 HydrophobicContact CB-CZ2 4.34Å; W567-C575 CarbonylContact O-C 3.59Å; W567-C575 WeakPolarHBondContact O-CA 3.27Å; W567-Y576 HydrophobicContact CB-CD1 4.43Å; W567-Y576 HydrophobicContact CB-CE1 3.85Å; W567-Y576 HydrophobicContact CB-CE2 4.32Å; W567-Y576 HydrophobicContact CG-CE1 4.34Å; W567-Y576 PolarHBondContact N-O 3.19Å; W567-Y576 WeakPolarHBondContact O-CD1 3.49Å; W567-Y576 WeakPolarHBondContact O-CE1 3.02Å; W567-Y576 PolarHBondContact O-N 3Å; W567-L578 HydrophobicContact CB-CD1 4.39Å; W567-L578 HydrophobicContact CB-CD2 3.83Å; W567-L578 HydrophobicContact CB-CG 3.99Å; W567-L578 HydrophobicContact CE3-CD1 4.18Å; W567-L578 HydrophobicContact CG-CD2 4.33Å; W567-R736 HydrophobicContact CZ3-CB 3.95Å; W567-D737 HydrophobicContact CH2-CB 4.31Å; W567-D737 HydrophobicContact CZ3-CB 4.14Å
568	P	89.9	Confident	85.9	Confident	9 Å²	9	62.3 Å²	62.3	6%	0.058	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	142.7	-179	25.3	-34.7	0	0	0	112.4	P549 Q551 C562 L572 G574 Y576	P549-P568 WeakPolarHBondContact O-CG 3.47Å; Q551-P568 WeakPolarHBondContact O-CB 3.39Å; C562-P568 VanDerWaalsContact SG-N 3.45Å; P568-L572 HydrophobicContact CB-CD2 4.11Å; P568-G574 WeakPolarHBondContact CA-O 3.42Å; P568-Y576 WeakPolarHBondContact O-CE1 3.41Å
569	L	87.3	Confident	85.6	Confident	67 Å²	67	63.8 Å²	63.8	35%	0.351	36%	0.363	S	S	.	.			trans	-61.8	155.8	171.7	-73.3	152.5	0	0	0	110.8	N571 L572 G574 Y576	L569-N571 WeakPolarHBondContact CB-OD1 3.3Å; L569-N571 PolarHBondContact O-N 3.03Å; L569-N571 VanDerWaalsContact O-N 3.1Å; L569-L572 WeakPolarHBondContact O-CA 3.42Å; L569-L572 PolarHBondContact O-N 2.86Å; L569-G574 PolarHBondContact N-O 2.91Å; L569-Y576 HydrophobicContact CD2-CD1 4.39Å; L569-Y576 HydrophobicContact CG-CD1 4.41Å
570	A	83.1	Confident	85.3	Confident	114 Å²	114	65.5 Å²	65.5	94%	0.942	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-23.2	176.3	0	0	0	0	0	113.6
571	N	83.8	Confident	85.1	Confident	95 Å²	95	68 Å²	68	51%	0.508	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-1.7	174.8	69.1	0	0	0	0	113.5	L569 T573	L569-N571 WeakPolarHBondContact CB-OD1 3.3Å; L569-N571 PolarHBondContact O-N 3.03Å; L569-N571 VanDerWaalsContact O-N 3.1Å; N571-T573 HydrophobicContact CB-CG2 4.34Å; N571-T573 PolarHBondContact ND2-OG1 3.21Å; N571-T573 PolarHBondContact O-N 3.36Å; N571-T573 VanDerWaalsContact O-N 3.13Å; N571-T573 PolarHBondContact OD1-N 2.87Å; N571-T573 VanDerWaalsContact OD1-N 3.13Å; N571-T573 PolarHBondContact OD1-OG1 3.1Å
572	L	82.3	Confident	85	Confident	24 Å²	24	66.8 Å²	66.8	13%	0.126	37%	0.366	C	S	.	.	S	Bend	trans	55.3	24.3	-179.7	-58.3	166	0	0	0	114.5	N529 Y552 L553 P568 L569	N529-L572 HydrophobicContact CB-CD1 3.53Å; N529-L572 WeakPolarHBondContact OD1-CD1 3.18Å; Y552-L572 WeakPolarHBondContact CB-O 3.3Å; L553-L572 HydrophobicContact CB-CB 4.4Å; L553-L572 PolarHBondContact N-O 3.22Å; P568-L572 HydrophobicContact CB-CD2 4.11Å; L569-L572 WeakPolarHBondContact O-CA 3.42Å; L569-L572 PolarHBondContact O-N 2.86Å
573	T	84.6	Confident	85	Confident	93 Å²	93	66.6 Å²	66.6	57%	0.571	37%	0.365	S	S	*	.	S	Bend	trans	-91.3	-10.8	180	58.4	0	0	0	0	113.9	N571	N571-T573 HydrophobicContact CB-CG2 4.34Å; N571-T573 PolarHBondContact ND2-OG1 3.21Å; N571-T573 PolarHBondContact O-N 3.36Å; N571-T573 VanDerWaalsContact O-N 3.13Å; N571-T573 PolarHBondContact OD1-N 2.87Å; N571-T573 VanDerWaalsContact OD1-N 3.13Å; N571-T573 PolarHBondContact OD1-OG1 3.1Å
574	G	86.2	Confident	85.1	Confident	16 Å²	16	70 Å²	70	17%	0.165	37%	0.367	C	S	.	.	S	Bend	trans	179.2	-166.7	-177.3	0	0	0	0	0	111.2	P568 L569	P568-G574 WeakPolarHBondContact CA-O 3.42Å; L569-G574 PolarHBondContact N-O 2.91Å
575	C	89.9	Confident	85.5	Confident	37 Å²	37	67.3 Å²	67.3	25%	0.25	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	157.6	-173.1	-48.2	0	0	0	0	111.9	Y552 C562 E566 W567	Y552-C575 VanDerWaalsContact CD1-SG 3.58Å; C562-C575 WeakPolarHBondContact CA-SG 3.46Å; C562-C575 HydrophobicContact CB-CB 3.82Å; C562-C575 WeakPolarHBondContact CB-SG 3.27Å; C562-C575 WeakPolarHBondContact SG-CB 3.28Å; C562-C575 CovalentContact SG-SG 2.04Å; C562-C575 PolarHBondContact SG-SG 2.86Å; E566-C575 HydrophobicContact CB-CB 3.9Å; W567-C575 CarbonylContact O-C 3.59Å; W567-C575 WeakPolarHBondContact O-CA 3.27Å
576	Y	88.4	Confident	86	Confident	106 Å²	106	74.5 Å²	74.5	42%	0.416	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	150.8	173.7	70.4	-88.6	0	0	0	110.8	E566 W567 P568 L569 L578	E566-Y576 CarbonylContact C-O 3.47Å; E566-Y576 VanDerWaalsContact CA-O 3.22Å; E566-Y576 WeakPolarHBondContact CA-O 3.37Å; W567-Y576 HydrophobicContact CB-CD1 4.43Å; W567-Y576 HydrophobicContact CB-CE1 3.85Å; W567-Y576 HydrophobicContact CB-CE2 4.32Å; W567-Y576 HydrophobicContact CG-CE1 4.34Å; W567-Y576 PolarHBondContact N-O 3.19Å; W567-Y576 WeakPolarHBondContact O-CD1 3.49Å; W567-Y576 WeakPolarHBondContact O-CE1 3.02Å; W567-Y576 PolarHBondContact O-N 3Å; P568-Y576 WeakPolarHBondContact O-CE1 3.41Å; L569-Y576 HydrophobicContact CD2-CD1 4.39Å; L569-Y576 HydrophobicContact CG-CD1 4.41Å; Y576-L578 PolarHBondContact O-N 3.29Å
577	D	86.1	Confident	86.2	Confident	120 Å²	120	73.7 Å²	73.7	64%	0.642	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.7	129.8	178.9	-74.6	-58.9	0	0	0	112.2
578	L	84.6	Confident	86.3	Confident	18 Å²	18	74.5 Å²	74.5	9%	0.094	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-71.3	145.8	173.7	-75.2	163	0	0	0	111.2	G565 W567 Y576 R736 D737 V739	G565-L578 WeakPolarHBondContact O-CB 3.32Å; G565-L578 PolarHBondContact O-N 3.3Å; W567-L578 HydrophobicContact CB-CD1 4.39Å; W567-L578 HydrophobicContact CB-CD2 3.83Å; W567-L578 HydrophobicContact CB-CG 3.99Å; W567-L578 HydrophobicContact CE3-CD1 4.18Å; W567-L578 HydrophobicContact CG-CD2 4.33Å; Y576-L578 PolarHBondContact O-N 3.29Å; L578-R736 VanDerWaalsContact CD1-O 3.28Å; L578-R736 WeakPolarHBondContact CD1-O 3.48Å; L578-D737 WeakPolarHBondContact CD2-O 3.47Å; L578-V739 HydrophobicContact CB-CG2 3.65Å; L578-V739 HydrophobicContact CD1-CG2 4.07Å
579	P	83.1	Confident	86.2	Confident	100 Å²	100	79.4 Å²	79.4	65%	0.649	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-66.5	139.2	178.3	27.6	-33.7	0	0	0	111.7
580	E	84.6	Confident	86.5	Confident	61 Å²	61	76.3 Å²	76.3	29%	0.285	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	123.5	-180	-60.5	176.1	168.5	0	0	111.7	K648 K729	E580-K648 IonicContact OE2-NZ 3.72Å; E580-K729 WeakPolarHBondContact OE1-CE 3.48Å; E580-K729 IonicContact OE1-NZ 2.75Å; E580-K729 PolarHBondContact OE1-NZ 2.96Å
581	E	83.9	Confident	86.9	Confident	69 Å²	69	75.1 Å²	75.1	32%	0.322	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	133.1	170	-74.3	-157.3	173.6	0	0	112.4	I738 V739 L741 R810	E581-I738 HydrophobicContact CB-CG2 4.35Å; E581-I738 HydrophobicContact CG-CG2 3.9Å; E581-V739 PolarHBondContact N-O 3.03Å; E581-L741 PolarHBondContact O-N 3.32Å; E581-R810 IonicContact OE2-NH2 3.88Å; E581-R810 PolarHBondContact OE2-NH2 3.2Å
582	Y	87.1	Confident	87.3	Confident	64 Å²	64	72.1 Å²	72.1	25%	0.251	37%	0.368	S	S	.	.			trans	-151.4	164.9	172.6	62.3	-85.5	0	0	0	109.1	R584 K648	Y582-R584 HydrophobicContact CE2-CG 4.2Å; Y582-R584 PolarHBondContact O-N 2.93Å; Y582-K648 HydrophobicContact CD1-CD 4.45Å; Y582-K648 HydrophobicContact CD1-CG 4.45Å; Y582-K648 HydrophobicContact CD2-CB 4.24Å; Y582-K648 HydrophobicContact CD2-CG 4.11Å; Y582-K648 HydrophobicContact CE1-CD 4.06Å; Y582-K648 HydrophobicContact CE1-CG 4.45Å; Y582-K648 HydrophobicContact CE2-CB 4.15Å; Y582-K648 HydrophobicContact CE2-CD 4.29Å; Y582-K648 HydrophobicContact CE2-CG 4.14Å; Y582-K648 HydrophobicContact CG-CG 4.29Å
583	I	85.9	Confident	87.8	Confident	13 Å²	13	71 Å²	71	7%	0.067	36%	0.363	C	S	.	.			trans	-66.7	119.1	177.5	-54.3	-179.2	0	0	0	108.9	D587 A590 Y809 R810 T813	I583-D587 HydrophobicContact CG2-CB 4.37Å; I583-A590 HydrophobicContact CG2-CB 3.98Å; I583-Y809 HydrophobicContact CD1-CD2 4.49Å; I583-Y809 HydrophobicContact CD1-CE2 4.5Å; I583-Y809 HydrophobicContact CG1-CD2 4.14Å; I583-Y809 HydrophobicContact CG1-CE2 3.69Å; I583-R810 HydrophobicContact CG1-CG 4.38Å; I583-T813 HydrophobicContact CD1-CG2 3.99Å
584	R	87.5	Confident	88.2	Confident	138 Å²	138	68 Å²	68	52%	0.521	34%	0.344	S	S	.	.			trans	-88.5	153.6	175	-63.2	-175.3	179.3	-171.9	2.5	109.8	Y582 E586 D587 A590	Y582-R584 HydrophobicContact CE2-CG 4.2Å; Y582-R584 PolarHBondContact O-N 2.93Å; R584-E586 PolarHBondContact O-N 3.36Å; R584-E586 VanDerWaalsContact O-N 3.16Å; R584-D587 PolarHBondContact N-OD2 3.36Å; R584-D587 WeakPolarHBondContact O-CB 3.32Å; R584-D587 PolarHBondContact O-N 3.22Å; R584-A590 WeakPolarHBondContact O-CB 3.43Å
585	W	88.8	Confident	88.6	Confident	133 Å²	133	70.7 Å²	70.7	50%	0.504	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-22.6	178.1	-63.1	101.6	0	0	0	113.3	D587 V594 F643 I646 A647	W585-D587 VanDerWaalsContact C-N 3.34Å; W585-V594 HydrophobicContact CZ3-CG2 4.19Å; W585-F643 HydrophobicContact CH2-CD1 4.39Å; W585-F643 HydrophobicContact CZ3-CD1 4.26Å; W585-I646 HydrophobicContact CD2-CG2 4.11Å; W585-I646 HydrophobicContact CE3-CG2 3.64Å; W585-I646 HydrophobicContact CH2-CB 4.2Å; W585-I646 HydrophobicContact CH2-CG2 4Å; W585-I646 HydrophobicContact CZ2-CG2 4.43Å; W585-I646 HydrophobicContact CZ3-CB 4.03Å; W585-I646 HydrophobicContact CZ3-CG2 3.58Å; W585-A647 HydrophobicContact CZ2-CB 4.21Å
586	E	87.7	Confident	88.8	Confident	164 Å²	164	72.2 Å²	72.2	77%	0.766	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-14.4	177.8	-63.1	169.7	-168.3	0	0	112.7	R584	R584-E586 PolarHBondContact O-N 3.36Å; R584-E586 VanDerWaalsContact O-N 3.16Å
587	D	88.4	Confident	89.2	Confident	43 Å²	43	67.1 Å²	67.1	23%	0.23	34%	0.343	C	S	.	.	S	Bend	trans	-70.2	140.4	-178	-65.2	-22.1	0	0	0	110.7	I583 R584 W585 W589 A590 I591	I583-D587 HydrophobicContact CG2-CB 4.37Å; R584-D587 PolarHBondContact N-OD2 3.36Å; R584-D587 WeakPolarHBondContact O-CB 3.32Å; R584-D587 PolarHBondContact O-N 3.22Å; W585-D587 VanDerWaalsContact C-N 3.34Å; D587-W589 PolarHBondContact O-N 3.31Å; D587-W589 VanDerWaalsContact O-N 3.08Å; D587-A590 WeakPolarHBondContact O-CB 3.09Å; D587-A590 PolarHBondContact O-N 3.13Å; D587-I591 WeakPolarHBondContact O-CG1 3.46Å; D587-I591 PolarHBondContact O-N 2.82Å; D587-I591 VanDerWaalsContact O-N 3.15Å
588	A	88.2	Confident	89.6	Confident	80 Å²	80	64.1 Å²	64.1	66%	0.661	33%	0.33	S	S	*	.	H	α-helix	trans	-54.6	-31.9	174.9	0	0	0	0	0	112.6	A590 I591	A588-A590 VanDerWaalsContact C-N 3.29Å; A588-A590 PolarHBondContact O-N 2.96Å; A588-I591 PolarHBondContact O-N 2.97Å
589	W	89.8	Confident	90.1	Very high	113 Å²	113	69.2 Å²	69.2	43%	0.428	36%	0.357	S	S	.	.	H	α-helix	trans	-64	-28	175.7	-57	108.6	0	0	0	113.4	D587 P593 R810 V811 T814	D587-W589 PolarHBondContact O-N 3.31Å; D587-W589 VanDerWaalsContact O-N 3.08Å; W589-P593 VanDerWaalsContact O-CD 3.25Å; W589-P593 WeakPolarHBondContact O-CD 3.38Å; W589-R810 HydrophobicContact CD2-CB 4.48Å; W589-R810 HydrophobicContact CG-CB 4.23Å; W589-V811 HydrophobicContact CH2-CG2 4.01Å; W589-V811 HydrophobicContact CZ3-CG2 4.06Å; W589-T814 HydrophobicContact CE3-CG2 4.38Å; W589-T814 PolarHBondContact O-OG1 2.98Å
590	A	92.2	Very high	90.6	Very high	1 Å²	1	64.7 Å²	64.7	1%	0.008	33%	0.329	C	S	.	.	H	α-helix	trans	-88.5	-40	175.8	0	0	0	0	0	112.7	I583 R584 D587 A588 G592 P593 V594 I646	I583-A590 HydrophobicContact CG2-CB 3.98Å; R584-A590 WeakPolarHBondContact O-CB 3.43Å; D587-A590 WeakPolarHBondContact O-CB 3.09Å; D587-A590 PolarHBondContact O-N 3.13Å; A588-A590 VanDerWaalsContact C-N 3.29Å; A588-A590 PolarHBondContact O-N 2.96Å; A590-G592 PolarHBondContact O-N 2.92Å; A590-P593 WeakPolarHBondContact O-CD 2.99Å; A590-V594 WeakPolarHBondContact O-CB 3.39Å; A590-V594 WeakPolarHBondContact O-CG2 3.4Å; A590-V594 PolarHBondContact O-N 3.12Å; A590-I646 HydrophobicContact CB-CD1 4.25Å; A590-I646 HydrophobicContact CB-CG2 3.75Å
591	I	91.9	Very high	91.2	Very high	90 Å²	90	64.1 Å²	64.1	46%	0.462	33%	0.326	S	S	.	.	H	α-helix	trans	-60	-46.2	-173.4	-65.6	168.6	0	0	0	111.6	D587 A588 V594 T595	D587-I591 WeakPolarHBondContact O-CG1 3.46Å; D587-I591 PolarHBondContact O-N 2.82Å; D587-I591 VanDerWaalsContact O-N 3.15Å; A588-I591 PolarHBondContact O-N 2.97Å; I591-V594 PolarHBondContact O-N 3.18Å; I591-T595 HydrophobicContact CG2-CG2 4.34Å; I591-T595 VanDerWaalsContact O-CG2 3.32Å; I591-T595 WeakPolarHBondContact O-CG2 3.35Å; I591-T595 PolarHBondContact O-N 3.36Å; I591-T595 PolarHBondContact O-OG1 3.37Å
592	G	91.2	Very high	91.7	Very high	31 Å²	31	67 Å²	67	32%	0.32	34%	0.342	S	S	.	.	H	α-helix	trans	-56.4	-60.2	-178.9	0	0	0	0	0	113.4	A590 V594 T595 I596	A590-G592 PolarHBondContact O-N 2.92Å; G592-V594 VanDerWaalsContact C-N 3.34Å; G592-V594 PolarHBondContact O-N 2.72Å; G592-T595 PolarHBondContact O-N 2.81Å; G592-T595 PolarHBondContact O-OG1 3.01Å; G592-I596 PolarHBondContact O-N 3.01Å
593	P	93.3	Very high	92	Very high	2 Å²	2	66.9 Å²	66.9	1%	0.013	35%	0.35	C	S	.	.	H	α-helix	trans	-61.7	-37.4	179.1	-21.9	30.5	0	0	0	114.2	W589 A590 I596 S597 T642 I646 T814 C817 I818	W589-P593 VanDerWaalsContact O-CD 3.25Å; W589-P593 WeakPolarHBondContact O-CD 3.38Å; A590-P593 WeakPolarHBondContact O-CD 2.99Å; P593-I596 PolarHBondContact O-N 3.17Å; P593-S597 WeakPolarHBondContact O-CB 3.23Å; P593-S597 PolarHBondContact O-N 2.71Å; P593-T642 HydrophobicContact CB-CG2 3.74Å; P593-I646 HydrophobicContact CB-CD1 4.37Å; P593-T814 HydrophobicContact CG-CG2 3.69Å; P593-C817 HydrophobicContact CB-CB 3.64Å; P593-C817 HydrophobicContact CG-CB 4.15Å; P593-I818 HydrophobicContact CB-CG1 4.35Å; P593-I818 HydrophobicContact CG-CD1 4.41Å; P593-I818 HydrophobicContact CG-CG1 4.03Å
594	V	94.6	Very high	92.3	Very high	28 Å²	28	66.2 Å²	66.2	17%	0.17	35%	0.346	C	S	.	.	H	α-helix	trans	-62.6	-44.3	179.4	169.7	0	0	0	0	111.1	W585 A590 I591 G592 I596 S597 C598 F643 I646	W585-V594 HydrophobicContact CZ3-CG2 4.19Å; A590-V594 WeakPolarHBondContact O-CB 3.39Å; A590-V594 WeakPolarHBondContact O-CG2 3.4Å; A590-V594 PolarHBondContact O-N 3.12Å; I591-V594 PolarHBondContact O-N 3.18Å; G592-V594 VanDerWaalsContact C-N 3.34Å; G592-V594 PolarHBondContact O-N 2.72Å; V594-I596 PolarHBondContact O-N 3.43Å; V594-S597 PolarHBondContact O-N 3.3Å; V594-C598 PolarHBondContact O-N 3.01Å; V594-C598 PolarHBondContact O-SG 3.11Å; V594-C598 VanDerWaalsContact O-SG 3.34Å; V594-F643 HydrophobicContact CG1-CE1 3.93Å; V594-F643 HydrophobicContact CG1-CZ 4.32Å; V594-I646 HydrophobicContact CG2-CD1 3.49Å; V594-I646 VanDerWaalsContact CG2-CD1 3.49Å
595	T	93.9	Very high	92.6	Very high	73 Å²	73	63.9 Å²	63.9	45%	0.448	34%	0.344	S	S	.	.	H	α-helix	trans	-62.1	-43.2	179	56.2	0	0	0	0	112.3	I591 G592 S597 C598 L599	I591-T595 HydrophobicContact CG2-CG2 4.34Å; I591-T595 VanDerWaalsContact O-CG2 3.32Å; I591-T595 WeakPolarHBondContact O-CG2 3.35Å; I591-T595 PolarHBondContact O-N 3.36Å; I591-T595 PolarHBondContact O-OG1 3.37Å; G592-T595 PolarHBondContact O-N 2.81Å; G592-T595 PolarHBondContact O-OG1 3.01Å; T595-S597 VanDerWaalsContact C-N 3.34Å; T595-S597 PolarHBondContact O-N 2.86Å; T595-C598 PolarHBondContact O-N 3.49Å; T595-L599 WeakPolarHBondContact O-CG 3.47Å; T595-L599 PolarHBondContact O-N 3.19Å; T595-L599 VanDerWaalsContact O-N 3.09Å
596	I	94.3	Very high	92.8	Very high	69 Å²	69	63.1 Å²	63.1	35%	0.354	34%	0.344	S	S	.	.	H	α-helix	trans	-61	-44.4	175.4	-63.2	171.3	0	0	0	110.6	G592 P593 V594 L599 G600	G592-I596 PolarHBondContact O-N 3.01Å; P593-I596 PolarHBondContact O-N 3.17Å; V594-I596 PolarHBondContact O-N 3.43Å; I596-L599 PolarHBondContact O-N 3.28Å; I596-G600 PolarHBondContact O-N 3.31Å
597	S	95.4	Very high	93	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-64.6	-45.2	179.2	178.3	0	0	0	0	112.3	P593 V594 T595 L599 G600 M601 Y639 F643	P593-S597 WeakPolarHBondContact O-CB 3.23Å; P593-S597 PolarHBondContact O-N 2.71Å; V594-S597 PolarHBondContact O-N 3.3Å; T595-S597 VanDerWaalsContact C-N 3.34Å; T595-S597 PolarHBondContact O-N 2.86Å; S597-L599 PolarHBondContact O-N 2.99Å; S597-G600 PolarHBondContact O-N 3.19Å; S597-G600 VanDerWaalsContact O-N 3.16Å; S597-M601 WeakPolarHBondContact O-CG 3.37Å; S597-M601 PolarHBondContact O-N 3.14Å; S597-Y639 VanDerWaalsContact OG-C 3.29Å; S597-Y639 WeakPolarHBondContact OG-CB 3.37Å; S597-Y639 PolarHBondContact OG-O 3.2Å; S597-F643 WeakPolarHBondContact OG-CE2 3.38Å
598	C	95.4	Very high	93.2	Very high	56 Å²	56	55.2 Å²	55.2	38%	0.378	31%	0.307	S	S	.	.	H	α-helix	trans	-57.1	-48.1	175.5	-73.9	0	0	0	0	112.3	V594 T595 G600 M601 M602	V594-C598 PolarHBondContact O-N 3.01Å; V594-C598 PolarHBondContact O-SG 3.11Å; V594-C598 VanDerWaalsContact O-SG 3.34Å; T595-C598 PolarHBondContact O-N 3.49Å; C598-G600 VanDerWaalsContact C-N 3.3Å; C598-G600 PolarHBondContact O-N 2.77Å; C598-M601 PolarHBondContact O-N 2.89Å; C598-M602 WeakPolarHBondContact O-CG 3.48Å; C598-M602 PolarHBondContact O-N 3.29Å
599	L	95.1	Very high	93.2	Very high	126 Å²	126	53.2 Å²	53.2	66%	0.66	29%	0.294	S	S	*	.	H	α-helix	trans	-62.3	-39.4	177.4	-70.5	172.9	0	0	0	111.7	T595 I596 S597 S603	T595-L599 WeakPolarHBondContact O-CG 3.47Å; T595-L599 PolarHBondContact O-N 3.19Å; T595-L599 VanDerWaalsContact O-N 3.09Å; I596-L599 PolarHBondContact O-N 3.28Å; S597-L599 PolarHBondContact O-N 2.99Å; L599-S603 WeakPolarHBondContact O-CB 3.43Å; L599-S603 PolarHBondContact O-N 3.23Å; L599-S603 PolarHBondContact O-OG 2.91Å
600	G	94.6	Very high	93.2	Very high	5 Å²	5	49 Å²	49	5%	0.052	28%	0.28	C	S	.	.	H	α-helix	trans	-64.5	-44.6	175.8	0	0	0	0	0	113.5	I596 S597 C598 S603 T604 Y639	I596-G600 PolarHBondContact O-N 3.31Å; S597-G600 PolarHBondContact O-N 3.19Å; S597-G600 VanDerWaalsContact O-N 3.16Å; C598-G600 VanDerWaalsContact C-N 3.3Å; C598-G600 PolarHBondContact O-N 2.77Å; G600-S603 PolarHBondContact O-N 3.37Å; G600-T604 WeakPolarHBondContact O-CB 3.27Å; G600-T604 PolarHBondContact O-N 2.79Å; G600-T604 PolarHBondContact O-OG1 2.87Å; G600-Y639 VanDerWaalsContact C-CE2 3.47Å; G600-Y639 VanDerWaalsContact CA-CZ 3.42Å; G600-Y639 WeakPolarHBondContact O-CE2 3.37Å
601	M	95.4	Very high	92.9	Very high	48 Å²	48	49 Å²	49	24%	0.236	28%	0.28	C	S	.	.	H	α-helix	trans	-63.2	-47.8	176.1	-71	-178	66.5	0	0	111.6	S597 C598 S603 T604 L605 L636 Y639 F643	S597-M601 WeakPolarHBondContact O-CG 3.37Å; S597-M601 PolarHBondContact O-N 3.14Å; C598-M601 PolarHBondContact O-N 2.89Å; M601-S603 VanDerWaalsContact C-N 3.3Å; M601-S603 PolarHBondContact O-N 3.4Å; M601-T604 PolarHBondContact O-N 3.4Å; M601-T604 VanDerWaalsContact O-N 3.15Å; M601-L605 WeakPolarHBondContact O-CG 3.49Å; M601-L605 PolarHBondContact O-N 3.29Å; M601-L636 HydrophobicContact CB-CD1 4.31Å; M601-L636 HydrophobicContact CE-CD1 4.07Å; M601-L636 HydrophobicContact CG-CD1 4.12Å; M601-Y639 HydrophobicContact CG-CD2 4.49Å; M601-Y639 HydrophobicContact CG-CG 4.26Å; M601-F643 HydrophobicContact SD-CE2 3.79Å
602	M	94.9	Very high	92.7	Very high	131 Å²	131	49.6 Å²	49.6	65%	0.645	28%	0.283	S	S	*	.	H	α-helix	trans	-58.2	-44.6	177.1	-73.1	-60	-64.3	0	0	111.4	C598 L605 F606	C598-M602 WeakPolarHBondContact O-CG 3.48Å; C598-M602 PolarHBondContact O-N 3.29Å; M602-L605 PolarHBondContact O-N 3.22Å; M602-F606 WeakPolarHBondContact O-CB 3.42Å; M602-F606 PolarHBondContact O-N 3.14Å
603	S	92.8	Very high	92.6	Very high	60 Å²	60	56.7 Å²	56.7	42%	0.42	31%	0.305	S	S	.	.	H	α-helix	trans	-62.1	-44.6	175.6	-60.4	0	0	0	0	111.6	L599 G600 M601 F606 V607	L599-S603 WeakPolarHBondContact O-CB 3.43Å; L599-S603 PolarHBondContact O-N 3.23Å; L599-S603 PolarHBondContact O-OG 2.91Å; G600-S603 PolarHBondContact O-N 3.37Å; M601-S603 VanDerWaalsContact C-N 3.3Å; M601-S603 PolarHBondContact O-N 3.4Å; S603-F606 WeakPolarHBondContact O-CB 3.1Å; S603-F606 PolarHBondContact O-N 2Å; S603-V607 VanDerWaalsContact O-CG2 3.29Å; S603-V607 WeakPolarHBondContact O-CG2 3.31Å; S603-V607 PolarHBondContact O-N 3.22Å
604	T	93.9	Very high	92.2	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-62.4	-45.8	179.3	-52.7	0	0	0	0	111.9	G600 M601 F606 V607 I608 L632 V635 L636 L828	G600-T604 WeakPolarHBondContact O-CB 3.27Å; G600-T604 PolarHBondContact O-N 2.79Å; G600-T604 PolarHBondContact O-OG1 2.87Å; M601-T604 PolarHBondContact O-N 3.4Å; M601-T604 VanDerWaalsContact O-N 3.15Å; T604-F606 VanDerWaalsContact C-N 3.31Å; T604-F606 PolarHBondContact O-N 2.8Å; T604-V607 PolarHBondContact O-N 3.5Å; T604-I608 HydrophobicContact CG2-CD1 4.07Å; T604-I608 WeakPolarHBondContact O-CG1 3.45Å; T604-I608 PolarHBondContact O-N 3.47Å; T604-L632 HydrophobicContact CG2-CD2 4.24Å; T604-V635 HydrophobicContact CG2-CB 4.48Å; T604-V635 HydrophobicContact CG2-CG1 4.18Å; T604-L636 HydrophobicContact CG2-CB 4.29Å; T604-L828 WeakPolarHBondContact OG1-CD1 3.44Å
605	L	93.8	Very high	91.5	Very high	88 Å²	88	59.4 Å²	59.4	46%	0.461	32%	0.319	S	S	.	.	H	α-helix	trans	-62.8	-38.7	177.2	-69.9	173.7	0	0	0	111.7	M601 M602 I608 G609	M601-L605 WeakPolarHBondContact O-CG 3.49Å; M601-L605 PolarHBondContact O-N 3.29Å; M602-L605 PolarHBondContact O-N 3.22Å; L605-I608 PolarHBondContact O-N 2.85Å; L605-G609 PolarHBondContact O-N 2.92Å
606	F	93.2	Very high	90.8	Very high	118 Å²	118	61.8 Å²	61.8	52%	0.518	33%	0.325	S	S	.	.	H	α-helix	trans	-60.9	-44.4	172.7	176.2	-104.1	0	0	0	112.1	M602 S603 T604 G609 L610 L840	M602-F606 WeakPolarHBondContact O-CB 3.42Å; M602-F606 PolarHBondContact O-N 3.14Å; S603-F606 WeakPolarHBondContact O-CB 3.1Å; S603-F606 PolarHBondContact O-N 2Å; T604-F606 VanDerWaalsContact C-N 3.31Å; T604-F606 PolarHBondContact O-N 2.8Å; F606-G609 PolarHBondContact O-N 3.38Å; F606-L610 HydrophobicContact CD1-CD1 3.92Å; F606-L610 HydrophobicContact CE1-CD1 3.35Å; F606-L610 HydrophobicContact CE1-CG 4.32Å; F606-L610 HydrophobicContact CE2-CD1 4.12Å; F606-L610 HydrophobicContact CE2-CG 4.3Å; F606-L610 HydrophobicContact CZ-CD1 3.47Å; F606-L610 VanDerWaalsContact CZ-CD1 3.47Å; F606-L610 HydrophobicContact CZ-CG 4.13Å; F606-L610 WeakPolarHBondContact O-CG 3.47Å; F606-L610 PolarHBondContact O-N 3.45Å; F606-L840 HydrophobicContact CZ-CD1 4.47Å
607	V	91.4	Very high	90.2	Very high	7 Å²	7	59.6 Å²	59.6	4%	0.042	32%	0.315	C	S	.	.	H	α-helix	trans	-62	-45.7	174.8	-176.5	0	0	0	0	111.3	S603 T604 G609 L610 F611 L632 L828 F832 I836	S603-V607 VanDerWaalsContact O-CG2 3.29Å; S603-V607 WeakPolarHBondContact O-CG2 3.31Å; S603-V607 PolarHBondContact O-N 3.22Å; T604-V607 PolarHBondContact O-N 3.5Å; V607-G609 PolarHBondContact O-N 2.9Å; V607-L610 PolarHBondContact O-N 2.83Å; V607-F611 HydrophobicContact CG1-CD2 3.84Å; V607-F611 HydrophobicContact CG1-CE2 3.79Å; V607-F611 WeakPolarHBondContact O-CB 3.36Å; V607-F611 WeakPolarHBondContact O-CD2 3.21Å; V607-F611 PolarHBondContact O-N 3.29Å; V607-L632 HydrophobicContact CB-CD2 4.31Å; V607-L632 HydrophobicContact CG1-CD1 4.14Å; V607-L632 HydrophobicContact CG1-CD2 4Å; V607-L828 HydrophobicContact CG2-CD2 4.26Å; V607-F832 HydrophobicContact CG1-CB 4.35Å; V607-F832 HydrophobicContact CG1-CD1 3.96Å; V607-F832 HydrophobicContact CG1-CG 4.27Å; V607-I836 HydrophobicContact CB-CD1 4.29Å; V607-I836 HydrophobicContact CG1-CD1 4.04Å; V607-I836 HydrophobicContact CG1-CG1 4.48Å; V607-I836 HydrophobicContact CG2-CD1 3.43Å; V607-I836 VanDerWaalsContact CG2-CD1 3.43Å
608	I	91.1	Very high	89.2	Confident	34 Å²	34	62 Å²	62	17%	0.174	33%	0.33	C	S	.	.	H	α-helix	trans	-59	-48.5	177.9	-68.4	167.2	0	0	0	110.3	T604 L605 L610 F611 L612 L632	T604-I608 HydrophobicContact CG2-CD1 4.07Å; T604-I608 WeakPolarHBondContact O-CG1 3.45Å; T604-I608 PolarHBondContact O-N 3.47Å; L605-I608 PolarHBondContact O-N 2.85Å; I608-L610 PolarHBondContact O-N 3.43Å; I608-F611 PolarHBondContact O-N 3.37Å; I608-L612 HydrophobicContact CG2-CD1 3.81Å; I608-L612 HydrophobicContact CG2-CG 4.29Å; I608-L612 WeakPolarHBondContact O-CG 3.29Å; I608-L612 PolarHBondContact O-N 3.38Å; I608-L632 HydrophobicContact CD1-CB 4.15Å; I608-L632 HydrophobicContact CG1-CB 3.89Å; I608-L632 HydrophobicContact CG1-CD1 3.85Å; I608-L632 HydrophobicContact CG1-CG 4.32Å
609	G	89	Confident	88.4	Confident	38 Å²	38	60.8 Å²	60.8	39%	0.392	32%	0.321	S	S	.	.	H	α-helix	trans	-60.1	-42.8	178.9	0	0	0	0	0	113.1	L605 F606 V607 L612 K613	L605-G609 PolarHBondContact O-N 2.92Å; F606-G609 PolarHBondContact O-N 3.38Å; V607-G609 PolarHBondContact O-N 2.9Å; G609-L612 PolarHBondContact O-N 2.95Å; G609-K613 WeakPolarHBondContact O-CB 3.43Å; G609-K613 PolarHBondContact O-N 3.27Å
610	L	89.3	Confident	87.7	Confident	23 Å²	23	54.9 Å²	54.9	12%	0.12	29%	0.29	C	S	.	.	H	α-helix	trans	-62.9	-41.7	175	-79.5	175.8	0	0	0	112.7	F606 V607 I608 N614 I836 L840	F606-L610 HydrophobicContact CD1-CD1 3.92Å; F606-L610 HydrophobicContact CE1-CD1 3.35Å; F606-L610 HydrophobicContact CE1-CG 4.32Å; F606-L610 HydrophobicContact CE2-CD1 4.12Å; F606-L610 HydrophobicContact CE2-CG 4.3Å; F606-L610 HydrophobicContact CZ-CD1 3.47Å; F606-L610 VanDerWaalsContact CZ-CD1 3.47Å; F606-L610 HydrophobicContact CZ-CG 4.13Å; F606-L610 WeakPolarHBondContact O-CG 3.47Å; F606-L610 PolarHBondContact O-N 3.45Å; V607-L610 PolarHBondContact O-N 2.83Å; I608-L610 PolarHBondContact O-N 3.43Å; L610-N614 WeakPolarHBondContact O-CB 3.4Å; L610-N614 PolarHBondContact O-N 2.93Å; L610-I836 HydrophobicContact CD1-CG2 4.07Å; L610-L840 HydrophobicContact CD1-CD1 4.16Å; L610-L840 HydrophobicContact CD2-CD2 3.99Å
611	F	87.6	Confident	86.9	Confident	3 Å²	3	59 Å²	59	1%	0.013	31%	0.307	C	S	.	.	H	α-helix	trans	-71.3	-35.8	-179.3	-85.8	-124.1	0	0	0	111.9	V607 I608 N614 N615 V620 T628 Y629 F832 K835 I836 I839	V607-F611 HydrophobicContact CG1-CD2 3.84Å; V607-F611 HydrophobicContact CG1-CE2 3.79Å; V607-F611 WeakPolarHBondContact O-CB 3.36Å; V607-F611 WeakPolarHBondContact O-CD2 3.21Å; V607-F611 PolarHBondContact O-N 3.29Å; I608-F611 PolarHBondContact O-N 3.37Å; F611-N614 CarbonylContact O-C 3.54Å; F611-N615 VanDerWaalsContact O-CA 3.3Å; F611-N615 WeakPolarHBondContact O-CA 3.41Å; F611-N615 PolarHBondContact O-N 2.93Å; F611-N615 VanDerWaalsContact O-N 3.1Å; F611-V620 HydrophobicContact CD1-CG1 4.03Å; F611-V620 HydrophobicContact CD1-CG2 4.05Å; F611-V620 HydrophobicContact CE1-CG2 4.25Å; F611-V620 HydrophobicContact CG-CG2 4.42Å; F611-T628 HydrophobicContact CD1-CG2 4.04Å; F611-T628 HydrophobicContact CE1-CG2 3.88Å; F611-Y629 HydrophobicContact CB-CE1 4.19Å; F611-Y629 PolarHBondContact O-OH 3.25Å; F611-F832 HydrophobicContact CE1-CD1 4.27Å; F611-F832 HydrophobicContact CE1-CE1 4.11Å; F611-F832 HydrophobicContact CE2-CD1 4.36Å; F611-F832 AromaticContact CZ-CD1 3.81Å; F611-F832 HydrophobicContact CZ-CD1 3.81Å; F611-F832 HydrophobicContact CZ-CE1 4.12Å; F611-K835 HydrophobicContact CZ-CB 4.22Å; F611-K835 HydrophobicContact CZ-CD 4.41Å; F611-I836 HydrophobicContact CE2-CG1 4.25Å; F611-I839 HydrophobicContact CE2-CD1 4.17Å; F611-I839 HydrophobicContact CZ-CD1 4.44Å
612	L	87.7	Confident	85.9	Confident	102 Å²	102	59.6 Å²	59.6	53%	0.534	32%	0.32	S	S	.	.	H	α-helix	trans	-66	-43.8	173.2	-72.2	172.2	0	0	0	111.7	I608 G609 N614 N615 Y629	I608-L612 HydrophobicContact CG2-CD1 3.81Å; I608-L612 HydrophobicContact CG2-CG 4.29Å; I608-L612 WeakPolarHBondContact O-CG 3.29Å; I608-L612 PolarHBondContact O-N 3.38Å; G609-L612 PolarHBondContact O-N 2.95Å; L612-N614 VanDerWaalsContact C-N 3.35Å; L612-N614 PolarHBondContact O-N 2.91Å; L612-N615 WeakPolarHBondContact O-CB 3.12Å; L612-Y629 HydrophobicContact CD2-CE1 3.94Å; L612-Y629 HydrophobicContact CG-CE1 4.16Å
613	K	87.3	Confident	84.9	Confident	179 Å²	179	53.5 Å²	53.5	78%	0.778	29%	0.29	S	S	*	.	H	α-helix	trans	-63.4	-40.7	177.4	-174.5	176.9	179.5	179.3	0	112.1	G609	G609-K613 WeakPolarHBondContact O-CB 3.43Å; G609-K613 PolarHBondContact O-N 3.27Å
614	N	84.8	Confident	84.4	Confident	42 Å²	42	51.2 Å²	51.2	23%	0.225	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	29	-176.3	-64.8	-33	0	0	0	113	L610 F611 L612 E616 T617 I839	L610-N614 WeakPolarHBondContact O-CB 3.4Å; L610-N614 PolarHBondContact O-N 2.93Å; F611-N614 CarbonylContact O-C 3.54Å; L612-N614 VanDerWaalsContact C-N 3.35Å; L612-N614 PolarHBondContact O-N 2.91Å; N614-E616 PolarHBondContact O-N 2.91Å; N614-E616 VanDerWaalsContact O-N 3.12Å; N614-T617 HydrophobicContact CB-CG2 3.87Å; N614-T617 WeakPolarHBondContact O-CB 3.4Å; N614-T617 WeakPolarHBondContact O-CG2 3.24Å; N614-T617 PolarHBondContact O-N 3.49Å; N614-T617 PolarHBondContact O-OG1 2.83Å; N614-I839 WeakPolarHBondContact ND2-CG2 3.12Å
615	N	81.8	Confident	83.8	Confident	46 Å²	46	55 Å²	55	25%	0.246	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-24	-170	-166.5	29.1	0	0	0	114.4	F611 L612 R625 Y629	F611-N615 VanDerWaalsContact O-CA 3.3Å; F611-N615 WeakPolarHBondContact O-CA 3.41Å; F611-N615 PolarHBondContact O-N 2.93Å; F611-N615 VanDerWaalsContact O-N 3.1Å; L612-N615 WeakPolarHBondContact O-CB 3.12Å; N615-R625 WeakPolarHBondContact OD1-CD 3.39Å; N615-Y629 PolarHBondContact OD1-OH 3.34Å
616	E	79.1	Confident	83.6	Confident	122 Å²	122	55.4 Å²	55.4	57%	0.57	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-8.2	-179.4	-68.9	-58	124.3	0	0	113.8	N614 K621 R625	N614-E616 PolarHBondContact O-N 2.91Å; N614-E616 VanDerWaalsContact O-N 3.12Å; E616-K621 WeakPolarHBondContact O-CE 3.12Å; E616-K621 PolarHBondContact O-NZ 3.16Å; E616-K621 WeakPolarHBondContact OE2-CE 3.25Å; E616-K621 IonicContact OE2-NZ 3.74Å; E616-K621 PolarHBondContact OE2-NZ 2.71Å; E616-R625 IonicContact OE1-NH1 3.06Å; E616-R625 PolarHBondContact OE1-NH1 2.77Å
617	T	81.1	Confident	83.3	Confident	24 Å²	24	50 Å²	50	15%	0.147	27%	0.266	C	S	.	.	S	Bend	trans	-69.5	145.2	-177.8	63.8	0	0	0	0	112.7	N614 V619 V620 K621 N846	N614-T617 HydrophobicContact CB-CG2 3.87Å; N614-T617 WeakPolarHBondContact O-CB 3.4Å; N614-T617 WeakPolarHBondContact O-CG2 3.24Å; N614-T617 PolarHBondContact O-N 3.49Å; N614-T617 PolarHBondContact O-OG1 2.83Å; T617-V619 PolarHBondContact O-N 2.92Å; T617-V620 PolarHBondContact O-N 3.24Å; T617-V620 WeakPolarHBondContact OG1-CG2 3.41Å; T617-K621 PolarHBondContact O-N 3.04Å; T617-K621 VanDerWaalsContact O-N 3.09Å; T617-N846 WeakPolarHBondContact CB-OD1 3.04Å; T617-N846 WeakPolarHBondContact CG2-ND2 3.4Å
618	P	74.2	Confident	83.2	Confident	49 Å²	49	49.7 Å²	49.7	32%	0.318	26%	0.264	S	S	.	.	H	α-helix	trans	-62.8	-29.7	-175.5	24.2	-33.6	0	0	0	112.9	A622 N846	P618-A622 WeakPolarHBondContact O-CB 3.3Å; P618-A622 PolarHBondContact O-N 2.95Å; P618-N846 WeakPolarHBondContact CD-O 3.22Å; P618-N846 WeakPolarHBondContact CG-O 3.45Å
619	V	78.3	Confident	83.2	Confident	32 Å²	32	50.5 Å²	50.5	19%	0.194	27%	0.265	C	S	.	.	H	α-helix	trans	-64.9	-44.4	177.4	175.6	0	0	0	0	111.5	T617 S623 I838 I839 N846	T617-V619 PolarHBondContact O-N 2.92Å; V619-S623 PolarHBondContact O-N 2.85Å; V619-I838 HydrophobicContact CG2-CG2 4.33Å; V619-I839 HydrophobicContact CG1-CD1 4.49Å; V619-I839 HydrophobicContact CG1-CG1 4.49Å; V619-N846 VanDerWaalsContact CG2-OD1 3.24Å; V619-N846 WeakPolarHBondContact CG2-OD1 3.44Å
620	V	80.9	Confident	83.4	Confident	2 Å²	2	50.5 Å²	50.5	1%	0.012	26%	0.256	C	S	.	.	H	α-helix	trans	-72.4	-40.3	179.5	178.5	0	0	0	0	111	F611 T617 R625 I839	F611-V620 HydrophobicContact CD1-CG1 4.03Å; F611-V620 HydrophobicContact CD1-CG2 4.05Å; F611-V620 HydrophobicContact CE1-CG2 4.25Å; F611-V620 HydrophobicContact CG-CG2 4.42Å; T617-V620 PolarHBondContact O-N 3.24Å; T617-V620 WeakPolarHBondContact OG1-CG2 3.41Å; V620-R625 HydrophobicContact CG1-CG 4.27Å; V620-I839 HydrophobicContact CG2-CD1 4.08Å
621	K	78.4	Confident	83.6	Confident	91 Å²	91	49.5 Å²	49.5	40%	0.396	25%	0.251	S	S	.	.	H	α-helix	trans	-64.2	-43.4	175.4	-76.7	176.1	174.8	160.2	0	113	E616 T617 S623 G624	E616-K621 WeakPolarHBondContact O-CE 3.12Å; E616-K621 PolarHBondContact O-NZ 3.16Å; E616-K621 WeakPolarHBondContact OE2-CE 3.25Å; E616-K621 IonicContact OE2-NZ 3.74Å; E616-K621 PolarHBondContact OE2-NZ 2.71Å; T617-K621 PolarHBondContact O-N 3.04Å; T617-K621 VanDerWaalsContact O-N 3.09Å; K621-S623 VanDerWaalsContact C-N 3.31Å; K621-S623 PolarHBondContact O-N 2.93Å; K621-G624 PolarHBondContact O-N 3.05Å
622	A	72.7	Confident	83.9	Confident	61 Å²	61	49.3 Å²	49.3	50%	0.504	25%	0.25	S	C	.	.	H	α-helix	trans	-62.6	-38.8	-179.5	0	0	0	0	0	112.3	P618 G624 R678	P618-A622 WeakPolarHBondContact O-CB 3.3Å; P618-A622 PolarHBondContact O-N 2.95Å; A622-G624 PolarHBondContact O-N 2.81Å; A622-R678 PolarHBondContact O-NH1 2.91Å
623	S	75.6	Confident	84.2	Confident	3 Å²	3	49 Å²	49	2%	0.021	25%	0.248	C	C	.	.	H	α-helix	trans	-70.6	-13.3	-178.6	-157.2	0	0	0	0	114.5	V619 K621 K675 E780 K835	V619-S623 PolarHBondContact O-N 2.85Å; K621-S623 VanDerWaalsContact C-N 3.31Å; K621-S623 PolarHBondContact O-N 2.93Å; S623-K675 VanDerWaalsContact O-CE 3.22Å; S623-K675 WeakPolarHBondContact O-CE 3.36Å; S623-K675 PolarHBondContact O-NZ 2.84Å; S623-K675 VanDerWaalsContact O-NZ 3.07Å; S623-K675 PolarHBondContact OG-NZ 3Å; S623-E780 PolarHBondContact OG-OE1 3.33Å; S623-K835 PolarHBondContact OG-NZ 2.79Å
624	G	80.7	Confident	84.5	Confident	12 Å²	12	40.5 Å²	40.5	12%	0.124	21%	0.211	C	C	.	.			trans	84.4	98	-177.2	0	0	0	0	0	111.8	K621 A622 T628	K621-G624 PolarHBondContact O-N 3.05Å; A622-G624 PolarHBondContact O-N 2.81Å; G624-T628 WeakPolarHBondContact O-CB 3.26Å; G624-T628 PolarHBondContact O-N 3.26Å; G624-T628 PolarHBondContact O-OG1 2.89Å
625	R	82.5	Confident	85	Confident	80 Å²	80	38.5 Å²	38.5	30%	0.302	20%	0.2	S	C	.	.	H	α-helix	trans	-54.3	-56.4	-173.8	-61.3	-166.3	-75.8	-169.4	4.5	112.9	N615 E616 V620 L627 T628 Y629	N615-R625 WeakPolarHBondContact OD1-CD 3.39Å; E616-R625 IonicContact OE1-NH1 3.06Å; E616-R625 PolarHBondContact OE1-NH1 2.77Å; V620-R625 HydrophobicContact CG1-CG 4.27Å; R625-L627 PolarHBondContact O-N 3.01Å; R625-T628 PolarHBondContact O-N 2.8Å; R625-T628 VanDerWaalsContact O-N 3.16Å; R625-Y629 HydrophobicContact CB-CE2 4.39Å; R625-Y629 VanDerWaalsContact O-CD2 3.24Å; R625-Y629 WeakPolarHBondContact O-CD2 3.35Å; R625-Y629 PolarHBondContact O-N 3.13Å; R625-Y629 VanDerWaalsContact O-N 3.11Å
626	E	88.3	Confident	85.6	Confident	95 Å²	95	38 Å²	38	44%	0.444	20%	0.198	S	C	.	.	H	α-helix	trans	-59.3	-50.4	-175	-51	-49.5	137.8	0	0	113.2	T628 Y629 I630 V702	E626-T628 PolarHBondContact O-N 3.16Å; E626-Y629 PolarHBondContact O-N 2.68Å; E626-I630 WeakPolarHBondContact O-CG1 3.16Å; E626-I630 PolarHBondContact O-N 3.09Å; E626-V702 HydrophobicContact CB-CG2 3.52Å; E626-V702 HydrophobicContact CG-CG2 4.06Å
627	L	87.8	Confident	86.3	Confident	4 Å²	4	35 Å²	35	2%	0.021	18%	0.184	C	C	.	.	H	α-helix	trans	-65	-28.9	-180	-64.9	178.7	0	0	0	112.6	R625 L631 T674 K675 Q701 C705	R625-L627 PolarHBondContact O-N 3.01Å; L627-L631 WeakPolarHBondContact O-CB 3.25Å; L627-L631 PolarHBondContact O-N 3.01Å; L627-T674 HydrophobicContact CD1-CG2 3.91Å; L627-T674 HydrophobicContact CD2-CG2 3.95Å; L627-K675 HydrophobicContact CD1-CB 4.37Å; L627-Q701 HydrophobicContact CD1-CB 4.15Å; L627-Q701 HydrophobicContact CD2-CB 4.37Å; L627-Q701 HydrophobicContact CG-CB 4.43Å; L627-C705 HydrophobicContact CD2-CB 4.02Å
628	T	89.9	Confident	86.9	Confident	2 Å²	2	33.9 Å²	33.9	1%	0.012	18%	0.177	C	C	.	.	H	α-helix	trans	-74.3	-39	179.8	-59.4	0	0	0	0	111.2	F611 G624 R625 E626 L631 L632 K675 F832	F611-T628 HydrophobicContact CD1-CG2 4.04Å; F611-T628 HydrophobicContact CE1-CG2 3.88Å; G624-T628 WeakPolarHBondContact O-CB 3.26Å; G624-T628 PolarHBondContact O-N 3.26Å; G624-T628 PolarHBondContact O-OG1 2.89Å; R625-T628 PolarHBondContact O-N 2.8Å; R625-T628 VanDerWaalsContact O-N 3.16Å; E626-T628 PolarHBondContact O-N 3.16Å; T628-L631 PolarHBondContact O-N 3.41Å; T628-L632 HydrophobicContact CG2-CD1 4.33Å; T628-L632 WeakPolarHBondContact O-CG 2.87Å; T628-L632 PolarHBondContact O-N 2.75Å; T628-K675 PolarHBondContact OG1-NZ 3.12Å; T628-F832 HydrophobicContact CG2-CE1 3.41Å; T628-F832 VanDerWaalsContact CG2-CE1 3.41Å; T628-F832 HydrophobicContact CG2-CZ 3.73Å
629	Y	91.3	Very high	87.9	Confident	51 Å²	51	31.6 Å²	31.6	20%	0.2	16%	0.163	C	C	.	.	H	α-helix	trans	-68.4	-39.6	172.2	-67.3	-55.5	0	0	0	112.4	F611 L612 N615 R625 E626 L631 L632 L633	F611-Y629 HydrophobicContact CB-CE1 4.19Å; F611-Y629 PolarHBondContact O-OH 3.25Å; L612-Y629 HydrophobicContact CD2-CE1 3.94Å; L612-Y629 HydrophobicContact CG-CE1 4.16Å; N615-Y629 PolarHBondContact OD1-OH 3.34Å; R625-Y629 HydrophobicContact CB-CE2 4.39Å; R625-Y629 VanDerWaalsContact O-CD2 3.24Å; R625-Y629 WeakPolarHBondContact O-CD2 3.35Å; R625-Y629 PolarHBondContact O-N 3.13Å; R625-Y629 VanDerWaalsContact O-N 3.11Å; E626-Y629 PolarHBondContact O-N 2.68Å; Y629-L631 VanDerWaalsContact C-N 3.31Å; Y629-L631 PolarHBondContact O-N 3.13Å; Y629-L632 PolarHBondContact O-N 3.02Å; Y629-L633 WeakPolarHBondContact O-CB 3.37Å; Y629-L633 PolarHBondContact O-N 3.1Å
630	I	93.4	Very high	88.7	Confident	38 Å²	38	32 Å²	32	20%	0.195	17%	0.166	C	C	.	.	H	α-helix	trans	-60.9	-41.9	173.8	-64.5	166.7	0	0	0	110.7	E626 L633 G634 V667 A671 V702 I709	E626-I630 WeakPolarHBondContact O-CG1 3.16Å; E626-I630 PolarHBondContact O-N 3.09Å; I630-L633 PolarHBondContact O-N 3.23Å; I630-G634 PolarHBondContact O-N 2.95Å; I630-V667 HydrophobicContact CG2-CG1 3.9Å; I630-V667 WeakPolarHBondContact O-CG1 3.28Å; I630-A671 HydrophobicContact CG2-CB 4.19Å; I630-V702 HydrophobicContact CD1-CG1 4.36Å; I630-V702 HydrophobicContact CD1-CG2 4.44Å; I630-I709 HydrophobicContact CG2-CD1 4.35Å
631	L	92.8	Very high	89.3	Confident	1 Å²	1	32.4 Å²	32.4	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-63.4	-46	176	-179.6	59.3	0	0	0	112.2	L627 T628 Y629 L633 G634 V635 C668 A671 L672 V827 L831 F832	L627-L631 WeakPolarHBondContact O-CB 3.25Å; L627-L631 PolarHBondContact O-N 3.01Å; T628-L631 PolarHBondContact O-N 3.41Å; Y629-L631 VanDerWaalsContact C-N 3.31Å; Y629-L631 PolarHBondContact O-N 3.13Å; L631-L633 VanDerWaalsContact C-N 3.32Å; L631-L633 PolarHBondContact O-N 2.93Å; L631-G634 PolarHBondContact O-N 2.94Å; L631-V635 WeakPolarHBondContact O-CG2 3.49Å; L631-V635 PolarHBondContact O-N 3.44Å; L631-C668 HydrophobicContact CD1-CB 4.18Å; L631-C668 WeakPolarHBondContact CD1-O 3.46Å; L631-A671 HydrophobicContact CB-CB 3.95Å; L631-A671 HydrophobicContact CD1-CB 4.41Å; L631-L672 HydrophobicContact CD1-CD1 4.19Å; L631-L672 HydrophobicContact CD1-CD2 4.38Å; L631-L672 HydrophobicContact CD1-CG 3.86Å; L631-L672 HydrophobicContact CD2-CD2 3.81Å; L631-L672 HydrophobicContact CD2-CG 4.19Å; L631-V827 HydrophobicContact CD1-CG1 4.07Å; L631-V827 HydrophobicContact CD2-CG1 4.05Å; L631-V827 HydrophobicContact CG-CG1 4.08Å; L631-L831 HydrophobicContact CD2-CD1 4.42Å; L631-L831 HydrophobicContact CD2-CD2 4.19Å; L631-F832 HydrophobicContact CD2-CE2 3.9Å; L631-F832 HydrophobicContact CD2-CZ 4.01Å; L631-F832 HydrophobicContact CG-CE2 4.28Å; L631-F832 HydrophobicContact CG-CZ 4.44Å
632	L	93	Very high	90	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-65.6	-34.2	177.6	-72.9	166.8	0	0	0	112.3	T604 V607 I608 T628 Y629 V635 L636 L828 F832	T604-L632 HydrophobicContact CG2-CD2 4.24Å; V607-L632 HydrophobicContact CB-CD2 4.31Å; V607-L632 HydrophobicContact CG1-CD1 4.14Å; V607-L632 HydrophobicContact CG1-CD2 4Å; I608-L632 HydrophobicContact CD1-CB 4.15Å; I608-L632 HydrophobicContact CG1-CB 3.89Å; I608-L632 HydrophobicContact CG1-CD1 3.85Å; I608-L632 HydrophobicContact CG1-CG 4.32Å; T628-L632 HydrophobicContact CG2-CD1 4.33Å; T628-L632 WeakPolarHBondContact O-CG 2.87Å; T628-L632 PolarHBondContact O-N 2.75Å; Y629-L632 PolarHBondContact O-N 3.02Å; L632-V635 PolarHBondContact O-N 3.23Å; L632-L636 PolarHBondContact O-N 3.16Å; L632-L828 HydrophobicContact CD2-CD2 4.06Å; L632-F832 HydrophobicContact CD1-CE1 4.08Å; L632-F832 HydrophobicContact CD1-CZ 4.14Å; L632-F832 HydrophobicContact CD2-CD2 4.16Å; L632-F832 HydrophobicContact CD2-CE1 4.11Å; L632-F832 HydrophobicContact CD2-CE2 3.74Å; L632-F832 HydrophobicContact CD2-CZ 3.71Å; L632-F832 HydrophobicContact CG-CE1 4.11Å; L632-F832 HydrophobicContact CG-CE2 4.15Å; L632-F832 HydrophobicContact CG-CZ 3.67Å
633	L	94.3	Very high	91	Very high	95 Å²	95	28.3 Å²	28.3	50%	0.497	14%	0.139	S	C	.	.	H	α-helix	trans	-62.3	-45.1	171.3	178.5	64.2	0	0	0	111.2	Y629 I630 L631 V635 L636 M637	Y629-L633 WeakPolarHBondContact O-CB 3.37Å; Y629-L633 PolarHBondContact O-N 3.1Å; I630-L633 PolarHBondContact O-N 3.23Å; L631-L633 VanDerWaalsContact C-N 3.32Å; L631-L633 PolarHBondContact O-N 2.93Å; L633-V635 VanDerWaalsContact C-N 3.33Å; L633-V635 PolarHBondContact O-N 2.83Å; L633-L636 PolarHBondContact O-N 2.91Å; L633-M637 WeakPolarHBondContact O-CG 3.42Å; L633-M637 PolarHBondContact O-N 3.32Å
634	G	93.8	Very high	91.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-59.2	-42.3	174.5	0	0	0	0	0	112.7	I630 L631 M637 C638	I630-G634 PolarHBondContact O-N 2.95Å; L631-G634 PolarHBondContact O-N 2.94Å; G634-M637 WeakPolarHBondContact O-CB 3.43Å; G634-M637 PolarHBondContact O-N 3Å; G634-C638 PolarHBondContact O-N 3.25Å; G634-C638 PolarHBondContact O-SG 3.3Å; G634-C638 VanDerWaalsContact O-SG 3.35Å
635	V	94.5	Very high	92.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-63.5	-42.2	176.6	172.1	0	0	0	0	111.4	T604 L631 L632 L633 M637 C638 Y639 V827 L828	T604-V635 HydrophobicContact CG2-CB 4.48Å; T604-V635 HydrophobicContact CG2-CG1 4.18Å; L631-V635 WeakPolarHBondContact O-CG2 3.49Å; L631-V635 PolarHBondContact O-N 3.44Å; L632-V635 PolarHBondContact O-N 3.23Å; L633-V635 VanDerWaalsContact C-N 3.33Å; L633-V635 PolarHBondContact O-N 2.83Å; V635-M637 VanDerWaalsContact C-N 3.32Å; V635-M637 PolarHBondContact O-N 3.15Å; V635-C638 WeakPolarHBondContact O-CB 3.28Å; V635-C638 PolarHBondContact O-N 2.63Å; V635-Y639 HydrophobicContact CG1-CD2 4.04Å; V635-Y639 HydrophobicContact CG1-CE2 3.59Å; V635-Y639 VanDerWaalsContact O-CD2 3.3Å; V635-Y639 WeakPolarHBondContact O-CD2 3.2Å; V635-Y639 PolarHBondContact O-N 3.21Å; V635-V827 HydrophobicContact CG2-CB 4.01Å; V635-V827 HydrophobicContact CG2-CG1 3.8Å; V635-L828 HydrophobicContact CG1-CD1 4.12Å; V635-L828 HydrophobicContact CG1-CD2 4.21Å; V635-L828 HydrophobicContact CG1-CG 3.97Å
636	L	94.9	Very high	92.7	Very high	37 Å²	37	26.6 Å²	26.6	19%	0.194	13%	0.132	C	C	.	.	H	α-helix	trans	-62.5	-39.6	175.1	-171.6	68.5	0	0	0	111.7	M601 T604 L632 L633 Y639 S640	M601-L636 HydrophobicContact CB-CD1 4.31Å; M601-L636 HydrophobicContact CE-CD1 4.07Å; M601-L636 HydrophobicContact CG-CD1 4.12Å; T604-L636 HydrophobicContact CG2-CB 4.29Å; L632-L636 PolarHBondContact O-N 3.16Å; L633-L636 PolarHBondContact O-N 2.91Å; L636-Y639 PolarHBondContact O-N 2.71Å; L636-S640 WeakPolarHBondContact O-CB 3.31Å; L636-S640 PolarHBondContact O-N 3Å; L636-S640 PolarHBondContact O-OG 3.16Å
637	M	93.9	Very high	92.9	Very high	57 Å²	57	23 Å²	23	28%	0.281	12%	0.119	S	C	.	.	H	α-helix	trans	-63.7	-40	174	-69.8	178.2	73.6	0	0	112	L633 G634 V635 S640 M641 T663	L633-M637 WeakPolarHBondContact O-CG 3.42Å; L633-M637 PolarHBondContact O-N 3.32Å; G634-M637 WeakPolarHBondContact O-CB 3.43Å; G634-M637 PolarHBondContact O-N 3Å; V635-M637 VanDerWaalsContact C-N 3.32Å; V635-M637 PolarHBondContact O-N 3.15Å; M637-S640 PolarHBondContact O-N 2.91Å; M637-M641 WeakPolarHBondContact O-CG 3.39Å; M637-M641 PolarHBondContact O-N 3.34Å; M637-M641 VanDerWaalsContact O-N 3.14Å; M637-T663 HydrophobicContact CE-CG2 4.34Å
638	C	94.1	Very high	93	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.007	14%	0.138	C	C	.	.	H	α-helix	trans	-59.4	-46.3	176.1	-71.1	0	0	0	0	112	G634 V635 M641 V820	G634-C638 PolarHBondContact O-N 3.25Å; G634-C638 PolarHBondContact O-SG 3.3Å; G634-C638 VanDerWaalsContact O-SG 3.35Å; V635-C638 WeakPolarHBondContact O-CB 3.28Å; V635-C638 PolarHBondContact O-N 2.63Å; C638-M641 WeakPolarHBondContact O-CB 3.29Å; C638-M641 PolarHBondContact O-N 3.14Å; C638-V820 HydrophobicContact CB-CG1 4.13Å; C638-V820 WeakPolarHBondContact O-CG1 3.45Å
639	Y	95.6	Very high	93	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.008	14%	0.143	C	C	.	.	H	α-helix	trans	-66.8	-38.4	176.4	-68.6	-58.3	0	0	0	112.4	S597 G600 M601 V635 L636 M641 T642 S821 S825 L828	S597-Y639 VanDerWaalsContact OG-C 3.29Å; S597-Y639 WeakPolarHBondContact OG-CB 3.37Å; S597-Y639 PolarHBondContact OG-O 3.2Å; G600-Y639 VanDerWaalsContact C-CE2 3.47Å; G600-Y639 VanDerWaalsContact CA-CZ 3.42Å; G600-Y639 WeakPolarHBondContact O-CE2 3.37Å; M601-Y639 HydrophobicContact CG-CD2 4.49Å; M601-Y639 HydrophobicContact CG-CG 4.26Å; V635-Y639 HydrophobicContact CG1-CD2 4.04Å; V635-Y639 HydrophobicContact CG1-CE2 3.59Å; V635-Y639 VanDerWaalsContact O-CD2 3.3Å; V635-Y639 WeakPolarHBondContact O-CD2 3.2Å; V635-Y639 PolarHBondContact O-N 3.21Å; L636-Y639 PolarHBondContact O-N 2.71Å; Y639-M641 PolarHBondContact O-N 3.38Å; Y639-T642 WeakPolarHBondContact O-CB 3.3Å; Y639-T642 PolarHBondContact O-N 3.23Å; Y639-T642 PolarHBondContact O-OG1 3.35Å; Y639-S821 WeakPolarHBondContact CE1-O 3.28Å; Y639-S825 WeakPolarHBondContact OH-CA 3.39Å; Y639-S825 PolarHBondContact OH-N 3.46Å; Y639-S825 PolarHBondContact OH-OG 3.23Å; Y639-L828 HydrophobicContact CE2-CD1 3.91Å
640	S	94.5	Very high	93	Very high	39 Å²	39	28 Å²	28	27%	0.273	15%	0.148	S	C	.	.	H	α-helix	trans	-61.5	-27.7	178.4	-57	0	0	0	0	113	L636 M637 T642 F643	L636-S640 WeakPolarHBondContact O-CB 3.31Å; L636-S640 PolarHBondContact O-N 3Å; L636-S640 PolarHBondContact O-OG 3.16Å; M637-S640 PolarHBondContact O-N 2.91Å; S640-T642 PolarHBondContact O-N 2.93Å; S640-F643 PolarHBondContact O-N 3.09Å
641	M	93.1	Very high	92.8	Very high	12 Å²	12	30.3 Å²	30.3	6%	0.059	16%	0.164	C	C	.	.	H	α-helix	trans	-60.4	-31.4	177.4	-74.3	-57.9	129.9	0	0	113.5	M637 C638 Y639 F643 I644 Y645 G660 V820	M637-M641 WeakPolarHBondContact O-CG 3.39Å; M637-M641 PolarHBondContact O-N 3.34Å; M637-M641 VanDerWaalsContact O-N 3.14Å; C638-M641 WeakPolarHBondContact O-CB 3.29Å; C638-M641 PolarHBondContact O-N 3.14Å; Y639-M641 PolarHBondContact O-N 3.38Å; M641-F643 VanDerWaalsContact C-N 3.28Å; M641-F643 PolarHBondContact O-N 3.37Å; M641-I644 HydrophobicContact CE-CD1 3.73Å; M641-I644 PolarHBondContact O-N 3.46Å; M641-I644 VanDerWaalsContact O-N 3.1Å; M641-I644 HydrophobicContact SD-CD1 3.94Å; M641-Y645 HydrophobicContact CB-CD2 4.46Å; M641-Y645 WeakPolarHBondContact O-CD2 3.44Å; M641-Y645 PolarHBondContact O-N 3.25Å; M641-G660 WeakPolarHBondContact SD-CA 3.35Å; M641-V820 HydrophobicContact CB-CG1 4.41Å
642	T	93.4	Very high	92.6	Very high	1 Å²	1	33 Å²	33	1%	0.006	19%	0.187	C	C	.	.	H	α-helix	trans	-57.4	-41	179.2	-56.3	0	0	0	0	112.2	P593 Y639 S640 Y645 I646 C817 S821	P593-T642 HydrophobicContact CB-CG2 3.74Å; Y639-T642 WeakPolarHBondContact O-CB 3.3Å; Y639-T642 PolarHBondContact O-N 3.23Å; Y639-T642 PolarHBondContact O-OG1 3.35Å; S640-T642 PolarHBondContact O-N 2.93Å; T642-Y645 PolarHBondContact O-N 3.41Å; T642-I646 HydrophobicContact CG2-CD1 3.95Å; T642-I646 WeakPolarHBondContact O-CG1 3.42Å; T642-I646 PolarHBondContact O-N 3.5Å; T642-C817 HydrophobicContact CG2-CB 3.94Å; T642-S821 PolarHBondContact OG1-OG 3.2Å
643	F	93.9	Very high	92.6	Very high	64 Å²	64	34 Å²	34	28%	0.281	19%	0.193	S	C	.	.	H	α-helix	trans	-67.2	-38.7	177.6	-63.9	-84.9	0	0	0	112.2	W585 V594 S597 M601 S640 M641 Y645 I646 A647	W585-F643 HydrophobicContact CH2-CD1 4.39Å; W585-F643 HydrophobicContact CZ3-CD1 4.26Å; V594-F643 HydrophobicContact CG1-CE1 3.93Å; V594-F643 HydrophobicContact CG1-CZ 4.32Å; S597-F643 WeakPolarHBondContact OG-CE2 3.38Å; M601-F643 HydrophobicContact SD-CE2 3.79Å; S640-F643 PolarHBondContact O-N 3.09Å; M641-F643 VanDerWaalsContact C-N 3.28Å; M641-F643 PolarHBondContact O-N 3.37Å; F643-Y645 VanDerWaalsContact C-N 3.34Å; F643-I646 PolarHBondContact O-N 2.93Å; F643-A647 WeakPolarHBondContact O-CB 3.38Å; F643-A647 PolarHBondContact O-N 3.45Å
644	I	93.3	Very high	92.4	Very high	35 Å²	35	29.7 Å²	29.7	18%	0.179	17%	0.171	C	C	.	.	H	α-helix	trans	-68	-36	179.3	-58.9	172.7	0	0	0	110.6	M641 V653 L656 R657	M641-I644 HydrophobicContact CE-CD1 3.73Å; M641-I644 PolarHBondContact O-N 3.46Å; M641-I644 VanDerWaalsContact O-N 3.1Å; M641-I644 HydrophobicContact SD-CD1 3.94Å; I644-V653 HydrophobicContact CG2-CG1 4.42Å; I644-V653 VanDerWaalsContact O-CG1 3.25Å; I644-V653 WeakPolarHBondContact O-CG1 3.3Å; I644-L656 HydrophobicContact CD1-CB 4.42Å; I644-L656 HydrophobicContact CG2-CB 3.72Å; I644-R657 HydrophobicContact CG2-CG 3.69Å; I644-R657 PolarHBondContact O-NE 2.92Å; I644-R657 PolarHBondContact O-NH2 2.94Å
645	Y	89.8	Confident	92.2	Very high	18 Å²	18	31.5 Å²	31.5	7%	0.071	18%	0.182	C	C	.	.	H	α-helix	trans	-73.9	-24.9	177.4	-91.4	-89.5	0	0	0	114.4	M641 T642 F643 R657 L661 M750 T813 M816 C817	M641-Y645 HydrophobicContact CB-CD2 4.46Å; M641-Y645 WeakPolarHBondContact O-CD2 3.44Å; M641-Y645 PolarHBondContact O-N 3.25Å; T642-Y645 PolarHBondContact O-N 3.41Å; F643-Y645 VanDerWaalsContact C-N 3.34Å; Y645-R657 VanDerWaalsContact C-NH2 3.3Å; Y645-R657 HydrophobicContact CD1-CG 4.43Å; Y645-R657 HydrophobicContact CD2-CG 4.22Å; Y645-R657 HydrophobicContact CE1-CG 4.41Å; Y645-R657 HydrophobicContact CE2-CB 4.23Å; Y645-R657 HydrophobicContact CE2-CG 4.18Å; Y645-R657 HydrophobicContact CG-CG 4.34Å; Y645-R657 PolarHBondContact O-NH1 3.35Å; Y645-R657 PolarHBondContact O-NH2 2.86Å; Y645-L661 HydrophobicContact CE2-CB 4.33Å; Y645-L661 HydrophobicContact CE2-CD1 4.23Å; Y645-L661 WeakPolarHBondContact OH-CD2 3.37Å; Y645-M750 HydrophobicContact CE1-SD 4.27Å; Y645-M750 PolarHBondContact OH-SD 2.99Å; Y645-T813 HydrophobicContact CD1-CG2 4.36Å; Y645-M816 HydrophobicContact CE1-CG 4.23Å; Y645-C817 WeakPolarHBondContact CB-SG 3.21Å
646	I	92.3	Very high	92	Very high	7 Å²	7	35.8 Å²	35.8	4%	0.036	20%	0.204	C	C	.	.	H	α-helix	trans	-91.6	-28.1	178.3	-66.5	169.1	0	0	0	111.8	W585 A590 P593 V594 T642 F643	W585-I646 HydrophobicContact CD2-CG2 4.11Å; W585-I646 HydrophobicContact CE3-CG2 3.64Å; W585-I646 HydrophobicContact CH2-CB 4.2Å; W585-I646 HydrophobicContact CH2-CG2 4Å; W585-I646 HydrophobicContact CZ2-CG2 4.43Å; W585-I646 HydrophobicContact CZ3-CB 4.03Å; W585-I646 HydrophobicContact CZ3-CG2 3.58Å; A590-I646 HydrophobicContact CB-CD1 4.25Å; A590-I646 HydrophobicContact CB-CG2 3.75Å; P593-I646 HydrophobicContact CB-CD1 4.37Å; V594-I646 HydrophobicContact CG2-CD1 3.49Å; V594-I646 VanDerWaalsContact CG2-CD1 3.49Å; T642-I646 HydrophobicContact CG2-CD1 3.95Å; T642-I646 WeakPolarHBondContact O-CG1 3.42Å; T642-I646 PolarHBondContact O-N 3.5Å; F643-I646 PolarHBondContact O-N 2.93Å
647	A	91.3	Very high	91.8	Very high	20 Å²	20	35.5 Å²	35.5	17%	0.165	20%	0.2	C	C	.	.	S	Bend	trans	-54.8	146.5	178.1	0	0	0	0	0	112.9	W585 F643 V653 R657	W585-A647 HydrophobicContact CZ2-CB 4.21Å; F643-A647 WeakPolarHBondContact O-CB 3.38Å; F643-A647 PolarHBondContact O-N 3.45Å; A647-V653 HydrophobicContact CB-CG1 4.21Å; A647-V653 HydrophobicContact CB-CG2 4.1Å; A647-R657 PolarHBondContact O-NH2 3.25Å
648	K	90.5	Very high	91.5	Very high	97 Å²	97	34.6 Å²	34.6	42%	0.422	19%	0.194	S	C	.	.	P	Polyproline II helix	trans	-50.6	126.5	179.5	-175.8	176.5	179.5	176	0	110.1	E580 Y582 S650 L741	E580-K648 IonicContact OE2-NZ 3.72Å; Y582-K648 HydrophobicContact CD1-CD 4.45Å; Y582-K648 HydrophobicContact CD1-CG 4.45Å; Y582-K648 HydrophobicContact CD2-CB 4.24Å; Y582-K648 HydrophobicContact CD2-CG 4.11Å; Y582-K648 HydrophobicContact CE1-CD 4.06Å; Y582-K648 HydrophobicContact CE1-CG 4.45Å; Y582-K648 HydrophobicContact CE2-CB 4.15Å; Y582-K648 HydrophobicContact CE2-CD 4.29Å; Y582-K648 HydrophobicContact CE2-CG 4.14Å; Y582-K648 HydrophobicContact CG-CG 4.29Å; K648-S650 PolarHBondContact O-N 2.87Å; K648-S650 VanDerWaalsContact O-N 3.12Å; K648-L741 HydrophobicContact CG-CD2 4.43Å
649	P	90.3	Very high	91.3	Very high	18 Å²	18	37.2 Å²	37.2	12%	0.117	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-55.1	120.6	177.6	-26	34.4	0	0	0	111	V727 L741	P649-V727 HydrophobicContact CB-CG1 4.31Å; P649-L741 HydrophobicContact CB-CD2 4.19Å; P649-L741 HydrophobicContact CB-CG 4.2Å; P649-L741 HydrophobicContact CG-CD2 4.44Å; P649-L741 HydrophobicContact CG-CG 4.44Å
650	S	90.7	Very high	91	Very high	45 Å²	45	37.4 Å²	37.4	32%	0.315	21%	0.21	S	C	.	.			trans	-139.8	163.5	173.2	60.5	0	0	0	0	107.6	K648 A652 V653 C654	K648-S650 PolarHBondContact O-N 2.87Å; K648-S650 VanDerWaalsContact O-N 3.12Å; S650-A652 PolarHBondContact O-N 3.36Å; S650-V653 PolarHBondContact O-N 3.17Å; S650-V653 VanDerWaalsContact O-N 3.11Å; S650-V653 WeakPolarHBondContact OG-CB 3.42Å; S650-V653 VanDerWaalsContact OG-CG2 3.23Å; S650-V653 WeakPolarHBondContact OG-CG2 2.9Å; S650-V653 PolarHBondContact OG-N 3.39Å; S650-C654 WeakPolarHBondContact O-CB 3.19Å; S650-C654 PolarHBondContact O-N 2.93Å; S650-C654 PolarHBondContact O-SG 2.57Å
651	T	88.8	Confident	90.7	Very high	87 Å²	87	35.7 Å²	35.7	53%	0.534	20%	0.198	S	C	.	.	H	α-helix	trans	-52.6	-42.5	176.8	49.6	0	0	0	0	111.7	T655	T651-T655 WeakPolarHBondContact O-CB 3.48Å; T651-T655 PolarHBondContact O-N 3.02Å; T651-T655 VanDerWaalsContact O-N 3.1Å; T651-T655 PolarHBondContact O-OG1 3.15Å
652	A	89.8	Confident	90.6	Very high	58 Å²	58	35.2 Å²	35.2	48%	0.479	20%	0.196	S	C	.	.	H	α-helix	trans	-64.2	-49.7	175.3	0	0	0	0	0	112.6	S650 C654 T655 L656	S650-A652 PolarHBondContact O-N 3.36Å; A652-C654 PolarHBondContact O-N 3.07Å; A652-T655 WeakPolarHBondContact O-CB 3.35Å; A652-T655 PolarHBondContact O-N 3.17Å; A652-L656 WeakPolarHBondContact O-CG 3.32Å; A652-L656 PolarHBondContact O-N 3.23Å
653	V	92.3	Very high	90.5	Very high	21 Å²	21	35.8 Å²	35.8	13%	0.127	20%	0.2	C	C	.	.	H	α-helix	trans	-63	-43.9	-179.5	170	0	0	0	0	111.3	I644 A647 S650 T655 L656 R657	I644-V653 HydrophobicContact CG2-CG1 4.42Å; I644-V653 VanDerWaalsContact O-CG1 3.25Å; I644-V653 WeakPolarHBondContact O-CG1 3.3Å; A647-V653 HydrophobicContact CB-CG1 4.21Å; A647-V653 HydrophobicContact CB-CG2 4.1Å; S650-V653 PolarHBondContact O-N 3.17Å; S650-V653 VanDerWaalsContact O-N 3.11Å; S650-V653 WeakPolarHBondContact OG-CB 3.42Å; S650-V653 VanDerWaalsContact OG-CG2 3.23Å; S650-V653 WeakPolarHBondContact OG-CG2 2.9Å; S650-V653 PolarHBondContact OG-N 3.39Å; V653-T655 VanDerWaalsContact C-N 3.29Å; V653-T655 PolarHBondContact O-N 3.06Å; V653-L656 PolarHBondContact O-N 3.34Å; V653-R657 HydrophobicContact CG1-CG 4.44Å; V653-R657 WeakPolarHBondContact O-CG 3.38Å; V653-R657 PolarHBondContact O-N 3.41Å
654	C	90.2	Very high	90.5	Very high	5 Å²	5	32.8 Å²	32.8	3%	0.034	19%	0.186	C	C	.	.	H	α-helix	trans	-63.9	-35.7	178.3	-63.3	0	0	0	0	112.2	S650 A652 R658 C743	S650-C654 WeakPolarHBondContact O-CB 3.19Å; S650-C654 PolarHBondContact O-N 2.93Å; S650-C654 PolarHBondContact O-SG 2.57Å; A652-C654 PolarHBondContact O-N 3.07Å; C654-R658 PolarHBondContact O-N 2.95Å; C654-C743 VanDerWaalsContact CA-SG 3.54Å; C654-C743 HydrophobicContact CB-CB 3.79Å; C654-C743 WeakPolarHBondContact CB-SG 3.38Å; C654-C743 WeakPolarHBondContact SG-CA 3.18Å; C654-C743 WeakPolarHBondContact SG-CB 3.42Å; C654-C743 CovalentContact SG-SG 2.04Å; C654-C743 PolarHBondContact SG-SG 2.92Å
655	T	89.4	Confident	90.4	Very high	38 Å²	38	31.1 Å²	31.1	23%	0.233	18%	0.178	C	C	.	.	H	α-helix	trans	-64.9	-46.5	173	-55.1	0	0	0	0	111	T651 A652 V653 R657 R658 L659 M720 P725	T651-T655 WeakPolarHBondContact O-CB 3.48Å; T651-T655 PolarHBondContact O-N 3.02Å; T651-T655 VanDerWaalsContact O-N 3.1Å; T651-T655 PolarHBondContact O-OG1 3.15Å; A652-T655 WeakPolarHBondContact O-CB 3.35Å; A652-T655 PolarHBondContact O-N 3.17Å; V653-T655 VanDerWaalsContact C-N 3.29Å; V653-T655 PolarHBondContact O-N 3.06Å; T655-R657 PolarHBondContact O-N 3.17Å; T655-R658 PolarHBondContact O-N 3.15Å; T655-L659 HydrophobicContact CG2-CD1 4.02Å; T655-L659 WeakPolarHBondContact O-CB 3.27Å; T655-L659 PolarHBondContact O-N 3.24Å; T655-M720 HydrophobicContact CG2-SD 4.05Å; T655-P725 HydrophobicContact CG2-CG 4.36Å; T655-P725 WeakPolarHBondContact OG1-CB 3.43Å; T655-P725 WeakPolarHBondContact OG1-CG 3.45Å
656	L	90.8	Very high	90.6	Very high	89 Å²	89	30.3 Å²	30.3	47%	0.466	18%	0.175	S	C	.	.	H	α-helix	trans	-63.7	-37.2	177.8	-72	172.2	0	0	0	112.8	I644 A652 V653 G660	I644-L656 HydrophobicContact CD1-CB 4.42Å; I644-L656 HydrophobicContact CG2-CB 3.72Å; A652-L656 WeakPolarHBondContact O-CG 3.32Å; A652-L656 PolarHBondContact O-N 3.23Å; V653-L656 PolarHBondContact O-N 3.34Å; L656-G660 WeakPolarHBondContact O-CA 3.39Å; L656-G660 PolarHBondContact O-N 3.33Å
657	R	90.1	Very high	90.8	Very high	31 Å²	31	30.5 Å²	30.5	12%	0.117	18%	0.177	C	C	.	.	H	α-helix	trans	-60	-47.1	174.2	-70.8	179.5	-168.8	-166.7	3.1	111.3	I644 Y645 A647 V653 T655 G660 L661	I644-R657 HydrophobicContact CG2-CG 3.69Å; I644-R657 PolarHBondContact O-NE 2.92Å; I644-R657 PolarHBondContact O-NH2 2.94Å; Y645-R657 VanDerWaalsContact C-NH2 3.3Å; Y645-R657 HydrophobicContact CD1-CG 4.43Å; Y645-R657 HydrophobicContact CD2-CG 4.22Å; Y645-R657 HydrophobicContact CE1-CG 4.41Å; Y645-R657 HydrophobicContact CE2-CB 4.23Å; Y645-R657 HydrophobicContact CE2-CG 4.18Å; Y645-R657 HydrophobicContact CG-CG 4.34Å; Y645-R657 PolarHBondContact O-NH1 3.35Å; Y645-R657 PolarHBondContact O-NH2 2.86Å; A647-R657 PolarHBondContact O-NH2 3.25Å; V653-R657 HydrophobicContact CG1-CG 4.44Å; V653-R657 WeakPolarHBondContact O-CG 3.38Å; V653-R657 PolarHBondContact O-N 3.41Å; T655-R657 PolarHBondContact O-N 3.17Å; R657-G660 PolarHBondContact O-N 2.91Å; R657-L661 PolarHBondContact O-N 3.11Å
658	R	87.9	Confident	90.9	Very high	38 Å²	38	29.8 Å²	29.8	14%	0.143	17%	0.17	C	C	.	.	H	α-helix	trans	-65.6	-45.2	179.1	-83.4	-179.9	169	-173.2	-9.2	112.7	C654 T655 G660 E723 S745	C654-R658 PolarHBondContact O-N 2.95Å; T655-R658 PolarHBondContact O-N 3.15Å; R658-G660 VanDerWaalsContact C-N 3.35Å; R658-E723 IonicContact CZ-OE2 3.9Å; R658-E723 PolarHBondContact NH1-O 3.27Å; R658-E723 IonicContact NH2-OE2 3.77Å; R658-E723 PolarHBondContact NH2-OE2 3.47Å; R658-S745 VanDerWaalsContact NH2-CB 3.34Å; R658-S745 PolarHBondContact NH2-OG 2.99Å
659	L	88.9	Confident	91	Very high	57 Å²	57	25.3 Å²	25.3	30%	0.298	15%	0.15	S	C	.	.	H	α-helix	trans	-64.9	-41.3	176.4	-78.9	174.1	0	0	0	112.4	T655 T663 V716 M720	T655-L659 HydrophobicContact CG2-CD1 4.02Å; T655-L659 WeakPolarHBondContact O-CB 3.27Å; T655-L659 PolarHBondContact O-N 3.24Å; L659-T663 WeakPolarHBondContact O-CB 3.34Å; L659-T663 PolarHBondContact O-OG1 3.35Å; L659-V716 HydrophobicContact CD2-CG1 3.81Å; L659-M720 HydrophobicContact CD1-CE 4.46Å; L659-M720 HydrophobicContact CD1-SD 4.26Å; L659-M720 HydrophobicContact CD2-CE 3.47Å; L659-M720 VanDerWaalsContact CD2-CE 3.47Å; L659-M720 HydrophobicContact CD2-SD 3.88Å; L659-M720 HydrophobicContact CG-CE 4.1Å; L659-M720 HydrophobicContact CG-SD 3.84Å
660	G	89.9	Confident	91.2	Very high	6 Å²	6	24.4 Å²	24.4	6%	0.062	15%	0.145	C	C	.	.	H	α-helix	trans	-79.1	-48.8	-165	0	0	0	0	0	114.6	M641 L656 R657 R658 G662 T663 S664	M641-G660 WeakPolarHBondContact SD-CA 3.35Å; L656-G660 WeakPolarHBondContact O-CA 3.39Å; L656-G660 PolarHBondContact O-N 3.33Å; R657-G660 PolarHBondContact O-N 2.91Å; R658-G660 VanDerWaalsContact C-N 3.35Å; G660-G662 PolarHBondContact O-N 3.5Å; G660-T663 PolarHBondContact O-N 2.63Å; G660-S664 WeakPolarHBondContact O-CB 3.4Å; G660-S664 PolarHBondContact O-N 3.15Å; G660-S664 PolarHBondContact O-OG 3.29Å
661	L	88.6	Confident	91.2	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.01	13%	0.13	C	C	.	.	H	α-helix	trans	-59.2	-52.3	-170.6	-176.4	73.2	0	0	0	112.2	Y645 R657 S664 F665 M750 L754 M816 V820	Y645-L661 HydrophobicContact CE2-CB 4.33Å; Y645-L661 HydrophobicContact CE2-CD1 4.23Å; Y645-L661 WeakPolarHBondContact OH-CD2 3.37Å; R657-L661 PolarHBondContact O-N 3.11Å; L661-S664 PolarHBondContact O-OG 3.1Å; L661-S664 VanDerWaalsContact O-OG 3.08Å; L661-F665 HydrophobicContact CD1-CE2 3.83Å; L661-F665 HydrophobicContact CG-CE2 4.29Å; L661-F665 WeakPolarHBondContact O-CD2 3.46Å; L661-M750 HydrophobicContact CD2-CG 4.2Å; L661-M750 HydrophobicContact CD2-SD 4.28Å; L661-L754 HydrophobicContact CD2-CD1 4.23Å; L661-L754 HydrophobicContact CD2-CD2 3.93Å; L661-L754 HydrophobicContact CD2-CG 4.33Å; L661-L754 HydrophobicContact CG-CD2 4.1Å; L661-M816 HydrophobicContact CD1-SD 4.19Å; L661-M816 HydrophobicContact CD2-CE 4.16Å; L661-M816 HydrophobicContact CD2-SD 4.21Å; L661-V820 HydrophobicContact CD1-CG2 3.55Å
662	G	90.5	Very high	91.3	Very high	2 Å²	2	18.2 Å²	18.2	2%	0.021	11%	0.105	C	C	.	.	H	α-helix	trans	-69.7	-35.2	-178.6	0	0	0	0	0	112.9	G660 A666 N757	G660-G662 PolarHBondContact O-N 3.5Å; G662-A666 WeakPolarHBondContact O-CB 3.46Å; G662-A666 PolarHBondContact O-N 3.23Å; G662-A666 VanDerWaalsContact O-N 3.12Å; G662-N757 WeakPolarHBondContact CA-ND2 3.26Å; G662-N757 PolarHBondContact O-ND2 3.32Å; G662-N757 PolarHBondContact O-OD1 2.93Å
663	T	92	Very high	91.5	Very high	14 Å²	14	16.1 Å²	16.1	9%	0.086	9%	0.085	C	C	.	.	H	α-helix	trans	-72.9	-39.4	-176.7	-55.4	0	0	0	0	111.9	M637 L659 G660 F665 A666 V667 L713	M637-T663 HydrophobicContact CE-CG2 4.34Å; L659-T663 WeakPolarHBondContact O-CB 3.34Å; L659-T663 PolarHBondContact O-OG1 3.35Å; G660-T663 PolarHBondContact O-N 2.63Å; T663-F665 VanDerWaalsContact C-N 3.32Å; T663-F665 PolarHBondContact O-N 2.8Å; T663-A666 PolarHBondContact O-N 3.39Å; T663-V667 HydrophobicContact CG2-CG2 4.4Å; T663-V667 WeakPolarHBondContact O-CG2 3.45Å; T663-V667 PolarHBondContact O-N 2.6Å; T663-L713 HydrophobicContact CG2-CD2 3.85Å
664	S	93.2	Very high	91.4	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-60.8	-41.9	179.4	63.7	0	0	0	0	112.1	G660 L661 C668	G660-S664 WeakPolarHBondContact O-CB 3.4Å; G660-S664 PolarHBondContact O-N 3.15Å; G660-S664 PolarHBondContact O-OG 3.29Å; L661-S664 PolarHBondContact O-OG 3.1Å; L661-S664 VanDerWaalsContact O-OG 3.08Å; S664-C668 PolarHBondContact O-N 3.24Å; S664-C668 PolarHBondContact O-SG 3.06Å
665	F	92	Very high	91.3	Very high	1 Å²	1	15.3 Å²	15.3	0%	0.004	8%	0.08	C	C	.	.	H	α-helix	trans	-69	-41.6	174.5	-68.9	-54.9	0	0	0	112.5	L661 T663 V667 C668 Y669 L754 N757 W795 V820	L661-F665 HydrophobicContact CD1-CE2 3.83Å; L661-F665 HydrophobicContact CG-CE2 4.29Å; L661-F665 WeakPolarHBondContact O-CD2 3.46Å; T663-F665 VanDerWaalsContact C-N 3.32Å; T663-F665 PolarHBondContact O-N 2.8Å; F665-V667 VanDerWaalsContact C-N 3.3Å; F665-V667 PolarHBondContact O-N 3.15Å; F665-C668 PolarHBondContact O-N 3.08Å; F665-C668 VanDerWaalsContact O-N 3.17Å; F665-Y669 HydrophobicContact CB-CD2 4.06Å; F665-Y669 HydrophobicContact CB-CE2 3.94Å; F665-Y669 AromaticContact CD1-CE2 3.82Å; F665-Y669 HydrophobicContact CD1-CE2 3.82Å; F665-Y669 HydrophobicContact CG-CE2 4.24Å; F665-Y669 WeakPolarHBondContact O-CD2 3.4Å; F665-Y669 PolarHBondContact O-N 2.9Å; F665-L754 HydrophobicContact CD2-CD2 4.35Å; F665-N757 HydrophobicContact CB-CB 4.29Å; F665-N757 WeakPolarHBondContact CB-OD1 3.28Å; F665-W795 AromaticContact CD1-CZ2 3.85Å; F665-W795 HydrophobicContact CD1-CZ2 3.85Å; F665-W795 AromaticContact CD2-CH2 3.89Å; F665-W795 HydrophobicContact CD2-CH2 3.89Å; F665-W795 AromaticContact CD2-CZ2 3.71Å; F665-W795 HydrophobicContact CD2-CZ2 3.71Å; F665-W795 HydrophobicContact CE1-CH2 4.36Å; F665-W795 AromaticContact CE1-CZ2 3.52Å; F665-W795 HydrophobicContact CE1-CZ2 3.52Å; F665-W795 AromaticContact CE2-CH2 3.4Å; F665-W795 HydrophobicContact CE2-CH2 3.4Å; F665-W795 AromaticContact CE2-CZ2 3.38Å; F665-W795 HydrophobicContact CE2-CZ2 3.38Å; F665-W795 AromaticContact CG-CZ2 3.95Å; F665-W795 HydrophobicContact CG-CZ2 3.95Å; F665-W795 AromaticContact CZ-CH2 3.67Å; F665-W795 HydrophobicContact CZ-CH2 3.67Å; F665-W795 AromaticContact CZ-CZ2 3.26Å; F665-W795 HydrophobicContact CZ-CZ2 3.26Å; F665-V820 HydrophobicContact CE2-CG1 4.46Å; F665-V820 HydrophobicContact CE2-CG2 4.06Å; F665-V820 HydrophobicContact CZ-CB 4.04Å; F665-V820 HydrophobicContact CZ-CG1 3.82Å; F665-V820 HydrophobicContact CZ-CG2 3.76Å
666	A	94.1	Very high	91.2	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-61.1	-39.4	178.3	0	0	0	0	0	111.8	G662 T663 S670 Q712 N757 L760	G662-A666 WeakPolarHBondContact O-CB 3.46Å; G662-A666 PolarHBondContact O-N 3.23Å; G662-A666 VanDerWaalsContact O-N 3.12Å; T663-A666 PolarHBondContact O-N 3.39Å; A666-S670 WeakPolarHBondContact O-CB 3.07Å; A666-S670 PolarHBondContact O-N 3.45Å; A666-S670 PolarHBondContact O-OG 3.47Å; A666-Q712 HydrophobicContact CB-CB 3.61Å; A666-Q712 HydrophobicContact CB-CG 3.68Å; A666-N757 WeakPolarHBondContact CA-OD1 3.5Å; A666-N757 PolarHBondContact N-OD1 2.9Å; A666-L760 HydrophobicContact CB-CD1 4.25Å
667	V	94.6	Very high	91	Very high	12 Å²	12	10.8 Å²	10.8	7%	0.073	6%	0.055	C	C	.	.	H	α-helix	trans	-62.2	-47.1	174.4	175.4	0	0	0	0	111	I630 T663 F665 A671 I709	I630-V667 HydrophobicContact CG2-CG1 3.9Å; I630-V667 WeakPolarHBondContact O-CG1 3.28Å; T663-V667 HydrophobicContact CG2-CG2 4.4Å; T663-V667 WeakPolarHBondContact O-CG2 3.45Å; T663-V667 PolarHBondContact O-N 2.6Å; F665-V667 VanDerWaalsContact C-N 3.3Å; F665-V667 PolarHBondContact O-N 3.15Å; V667-A671 WeakPolarHBondContact O-CB 3.28Å; V667-A671 PolarHBondContact O-N 2.84Å; V667-I709 HydrophobicContact CB-CD1 4.48Å; V667-I709 HydrophobicContact CG2-CD1 4.13Å; V667-I709 HydrophobicContact CG2-CG1 4.28Å; V667-I709 HydrophobicContact CG2-CG2 4.17Å
668	C	93.4	Very high	90.8	Very high	4 Å²	4	12.1 Å²	12.1	3%	0.027	6%	0.06	C	C	.	.	H	α-helix	trans	-59.9	-55	178.2	-68.6	0	0	0	0	112.2	L631 S664 F665 A671 L672	L631-C668 HydrophobicContact CD1-CB 4.18Å; L631-C668 WeakPolarHBondContact CD1-O 3.46Å; S664-C668 PolarHBondContact O-N 3.24Å; S664-C668 PolarHBondContact O-SG 3.06Å; F665-C668 PolarHBondContact O-N 3.08Å; F665-C668 VanDerWaalsContact O-N 3.17Å; C668-A671 PolarHBondContact O-N 2.83Å; C668-L672 WeakPolarHBondContact O-CG 3.27Å; C668-L672 PolarHBondContact O-N 3.45Å; C668-L672 VanDerWaalsContact O-N 3.1Å
669	Y	93.1	Very high	90.6	Very high	3 Å²	3	11.5 Å²	11.5	1%	0.012	6%	0.059	C	C	.	.	H	α-helix	trans	-77.7	-28.2	-172.3	-61.5	-58.6	0	0	0	112.8	F665 A671 L672 L673 I761 C764 M788 T791 W795	F665-Y669 HydrophobicContact CB-CD2 4.06Å; F665-Y669 HydrophobicContact CB-CE2 3.94Å; F665-Y669 AromaticContact CD1-CE2 3.82Å; F665-Y669 HydrophobicContact CD1-CE2 3.82Å; F665-Y669 HydrophobicContact CG-CE2 4.24Å; F665-Y669 WeakPolarHBondContact O-CD2 3.4Å; F665-Y669 PolarHBondContact O-N 2.9Å; Y669-A671 VanDerWaalsContact C-N 3.34Å; Y669-A671 PolarHBondContact O-N 2.71Å; Y669-L672 HydrophobicContact CD1-CD1 3.97Å; Y669-L672 HydrophobicContact CE1-CD1 4.31Å; Y669-L672 PolarHBondContact O-N 3.3Å; Y669-L673 WeakPolarHBondContact O-CB 3.37Å; Y669-L673 PolarHBondContact O-N 2.92Å; Y669-I761 HydrophobicContact CD1-CG1 4.15Å; Y669-I761 HydrophobicContact CD2-CD1 4.26Å; Y669-I761 HydrophobicContact CD2-CG1 3.77Å; Y669-I761 HydrophobicContact CE1-CG1 4.05Å; Y669-I761 HydrophobicContact CE2-CD1 3.73Å; Y669-I761 HydrophobicContact CE2-CG1 3.65Å; Y669-I761 HydrophobicContact CG-CG1 4.05Å; Y669-C764 PolarHBondContact O-SG 2.73Å; Y669-C764 VanDerWaalsContact O-SG 3.39Å; Y669-M788 HydrophobicContact CD1-CE 4.43Å; Y669-M788 HydrophobicContact CD1-SD 4.43Å; Y669-T791 HydrophobicContact CE1-CG2 3.78Å; Y669-T791 WeakPolarHBondContact OH-CG2 3.41Å; Y669-W795 PolarHBondContact OH-NE1 2.86Å
670	S	93.9	Very high	90.1	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-64.8	-39.6	172.2	-60.8	0	0	0	0	111.7	A666 T674 L708	A666-S670 WeakPolarHBondContact O-CB 3.07Å; A666-S670 PolarHBondContact O-N 3.45Å; A666-S670 PolarHBondContact O-OG 3.47Å; S670-T674 WeakPolarHBondContact O-CB 3.49Å; S670-T674 PolarHBondContact O-N 3.34Å; S670-T674 PolarHBondContact O-OG1 2.93Å; S670-L708 VanDerWaalsContact OG-CB 3.31Å; S670-L708 WeakPolarHBondContact OG-CB 3.4Å
671	A	92.3	Very high	89.6	Confident	1 Å²	1	11.5 Å²	11.5	1%	0.008	6%	0.057	C	C	.	.	H	α-helix	trans	-67.1	-44.3	175.2	0	0	0	0	0	111.7	I630 L631 V667 C668 Y669 T674 K675	I630-A671 HydrophobicContact CG2-CB 4.19Å; L631-A671 HydrophobicContact CB-CB 3.95Å; L631-A671 HydrophobicContact CD1-CB 4.41Å; V667-A671 WeakPolarHBondContact O-CB 3.28Å; V667-A671 PolarHBondContact O-N 2.84Å; C668-A671 PolarHBondContact O-N 2.83Å; Y669-A671 VanDerWaalsContact C-N 3.34Å; Y669-A671 PolarHBondContact O-N 2.71Å; A671-T674 PolarHBondContact O-N 3.25Å; A671-K675 VanDerWaalsContact O-CB 3.28Å; A671-K675 WeakPolarHBondContact O-CB 3.33Å; A671-K675 PolarHBondContact O-N 3.44Å
672	L	91.3	Very high	89.1	Confident	1 Å²	1	14.2 Å²	14.2	1%	0.005	7%	0.071	C	C	.	.	H	α-helix	trans	-63.6	-42.2	175.2	-74	169.5	0	0	0	112.6	L631 C668 Y669 K675 T676 M788 V827 L831	L631-L672 HydrophobicContact CD1-CD1 4.19Å; L631-L672 HydrophobicContact CD1-CD2 4.38Å; L631-L672 HydrophobicContact CD1-CG 3.86Å; L631-L672 HydrophobicContact CD2-CD2 3.81Å; L631-L672 HydrophobicContact CD2-CG 4.19Å; C668-L672 WeakPolarHBondContact O-CG 3.27Å; C668-L672 PolarHBondContact O-N 3.45Å; C668-L672 VanDerWaalsContact O-N 3.1Å; Y669-L672 HydrophobicContact CD1-CD1 3.97Å; Y669-L672 HydrophobicContact CE1-CD1 4.31Å; Y669-L672 PolarHBondContact O-N 3.3Å; L672-K675 PolarHBondContact O-N 3.39Å; L672-T676 WeakPolarHBondContact O-CG2 3.48Å; L672-T676 PolarHBondContact O-N 2.85Å; L672-T676 PolarHBondContact O-OG1 3.43Å; L672-M788 HydrophobicContact CD1-SD 4.3Å; L672-V827 HydrophobicContact CD1-CG2 4.49Å; L672-L831 HydrophobicContact CD2-CD1 3.55Å
673	L	92.1	Very high	88.3	Confident	13 Å²	13	16.6 Å²	16.6	7%	0.068	8%	0.081	C	C	.	.	H	α-helix	trans	-63.1	-46.5	176.8	-173.2	56	0	0	0	110.9	Y669 K675 T676 N677 L708 L760 L763 C764 Y767	Y669-L673 WeakPolarHBondContact O-CB 3.37Å; Y669-L673 PolarHBondContact O-N 2.92Å; L673-K675 VanDerWaalsContact C-N 3.26Å; L673-K675 PolarHBondContact O-N 3.28Å; L673-T676 WeakPolarHBondContact CA-OG1 3.39Å; L673-T676 PolarHBondContact O-N 2.8Å; L673-T676 PolarHBondContact O-OG1 3.26Å; L673-N677 WeakPolarHBondContact O-CB 3.24Å; L673-N677 PolarHBondContact O-N 3.26Å; L673-L708 HydrophobicContact CD2-CD1 3.97Å; L673-L760 HydrophobicContact CD2-CD2 4.17Å; L673-L763 HydrophobicContact CD1-CB 4.27Å; L673-L763 HydrophobicContact CD2-CB 4.34Å; L673-C764 VanDerWaalsContact CB-SG 3.54Å; L673-Y767 HydrophobicContact CD1-CD2 3.53Å; L673-Y767 HydrophobicContact CD1-CE2 4.14Å; L673-Y767 HydrophobicContact CD1-CG 4.25Å
674	T	91	Very high	87.1	Confident	2 Å²	2	18.7 Å²	18.7	1%	0.012	10%	0.096	C	C	.	.	H	α-helix	trans	-62.7	-38.6	178.6	-56.2	0	0	0	0	110.9	L627 S670 A671 R678 Q701 I704	L627-T674 HydrophobicContact CD1-CG2 3.91Å; L627-T674 HydrophobicContact CD2-CG2 3.95Å; S670-T674 WeakPolarHBondContact O-CB 3.49Å; S670-T674 PolarHBondContact O-N 3.34Å; S670-T674 PolarHBondContact O-OG1 2.93Å; A671-T674 PolarHBondContact O-N 3.25Å; T674-R678 WeakPolarHBondContact O-CB 3.13Å; T674-R678 PolarHBondContact O-N 3.22Å; T674-Q701 HydrophobicContact CG2-CB 3.95Å; T674-Q701 HydrophobicContact CG2-CG 4.4Å; T674-Q701 WeakPolarHBondContact CG2-O 3.31Å; T674-I704 HydrophobicContact CG2-CB 4.48Å; T674-I704 HydrophobicContact CG2-CG2 4.42Å
675	K	87.9	Confident	85.7	Confident	7 Å²	7	19.4 Å²	19.4	3%	0.03	10%	0.104	C	C	.	.	H	α-helix	trans	-67.4	-44.9	177.3	-168.5	168.5	-172.5	155.9	0	112.7	S623 L627 T628 A671 L672 L673 R678 I679 E780 I784	S623-K675 VanDerWaalsContact O-CE 3.22Å; S623-K675 WeakPolarHBondContact O-CE 3.36Å; S623-K675 PolarHBondContact O-NZ 2.84Å; S623-K675 VanDerWaalsContact O-NZ 3.07Å; S623-K675 PolarHBondContact OG-NZ 3Å; L627-K675 HydrophobicContact CD1-CB 4.37Å; T628-K675 PolarHBondContact OG1-NZ 3.12Å; A671-K675 VanDerWaalsContact O-CB 3.28Å; A671-K675 WeakPolarHBondContact O-CB 3.33Å; A671-K675 PolarHBondContact O-N 3.44Å; L672-K675 PolarHBondContact O-N 3.39Å; L673-K675 VanDerWaalsContact C-N 3.26Å; L673-K675 PolarHBondContact O-N 3.28Å; K675-R678 WeakPolarHBondContact O-CB 3.42Å; K675-R678 PolarHBondContact O-N 3.28Å; K675-I679 WeakPolarHBondContact O-CG1 3.21Å; K675-I679 PolarHBondContact O-N 3.32Å; K675-E780 WeakPolarHBondContact CE-OE1 3.38Å; K675-E780 IonicContact NZ-OE1 2.93Å; K675-E780 PolarHBondContact NZ-OE1 3.32Å; K675-I784 HydrophobicContact CG-CD1 4.46Å
676	T	88.2	Confident	84.3	Confident	1 Å²	1	24.9 Å²	24.9	1%	0.006	14%	0.137	C	C	.	.	H	α-helix	trans	-69	-40	176	48.2	0	0	0	0	112.4	L672 L673 R678 I679 A680 I784	L672-T676 WeakPolarHBondContact O-CG2 3.48Å; L672-T676 PolarHBondContact O-N 2.85Å; L672-T676 PolarHBondContact O-OG1 3.43Å; L673-T676 WeakPolarHBondContact CA-OG1 3.39Å; L673-T676 PolarHBondContact O-N 2.8Å; L673-T676 PolarHBondContact O-OG1 3.26Å; T676-R678 PolarHBondContact O-N 2.98Å; T676-I679 WeakPolarHBondContact O-CB 3.46Å; T676-I679 PolarHBondContact O-N 3.01Å; T676-I679 VanDerWaalsContact O-N 3.15Å; T676-A680 WeakPolarHBondContact O-CB 3.48Å; T676-A680 PolarHBondContact O-N 2.93Å; T676-I784 HydrophobicContact CG2-CB 4.39Å; T676-I784 HydrophobicContact CG2-CD1 4.33Å; T676-I784 HydrophobicContact CG2-CG2 3.32Å
677	N	86.9	Confident	82.7	Confident	32 Å²	32	33.6 Å²	33.6	17%	0.171	17%	0.174	C	C	.	.	H	α-helix	trans	-63.1	-40.1	175.3	-174.4	-0.3	0	0	0	111.5	L673 I679 A680 R681	L673-N677 WeakPolarHBondContact O-CB 3.24Å; L673-N677 PolarHBondContact O-N 3.26Å; N677-I679 VanDerWaalsContact C-N 3.33Å; N677-I679 PolarHBondContact O-N 3.41Å; N677-A680 PolarHBondContact O-N 3.09Å; N677-R681 WeakPolarHBondContact O-CB 3.12Å; N677-R681 WeakPolarHBondContact O-CG 3.36Å; N677-R681 PolarHBondContact O-N 3.48Å; N677-R681 WeakPolarHBondContact OD1-CG 3.37Å; N677-R681 PolarHBondContact OD1-NE 2.82Å
678	R	85.1	Confident	81	Confident	59 Å²	59	39.8 Å²	39.8	22%	0.223	21%	0.207	C	C	.	.	H	α-helix	trans	-55.1	-49.1	170.4	178.5	-163.3	172.4	-165.9	-11.6	111.1	A622 T674 K675 T676 R681 I682 Q701	A622-R678 PolarHBondContact O-NH1 2.91Å; T674-R678 WeakPolarHBondContact O-CB 3.13Å; T674-R678 PolarHBondContact O-N 3.22Å; K675-R678 WeakPolarHBondContact O-CB 3.42Å; K675-R678 PolarHBondContact O-N 3.28Å; T676-R678 PolarHBondContact O-N 2.98Å; R678-R681 PolarHBondContact O-N 3.07Å; R678-I682 HydrophobicContact CG-CD1 3.99Å; R678-I682 WeakPolarHBondContact O-CD1 3.42Å; R678-I682 VanDerWaalsContact O-CG1 3.27Å; R678-I682 WeakPolarHBondContact O-CG1 3.19Å; R678-I682 PolarHBondContact O-N 3.4Å; R678-I682 VanDerWaalsContact O-N 3.13Å; R678-Q701 VanDerWaalsContact CD-NE2 3.27Å
679	I	82.6	Confident	79.2	Confident	24 Å²	24	41.7 Å²	41.7	12%	0.123	23%	0.227	C	C	.	.	H	α-helix	trans	-61	-49.8	178.7	-65.3	169.5	0	0	0	109.9	K675 T676 N677 R681 I682 F683 T771 I784	K675-I679 WeakPolarHBondContact O-CG1 3.21Å; K675-I679 PolarHBondContact O-N 3.32Å; T676-I679 WeakPolarHBondContact O-CB 3.46Å; T676-I679 PolarHBondContact O-N 3.01Å; T676-I679 VanDerWaalsContact O-N 3.15Å; N677-I679 VanDerWaalsContact C-N 3.33Å; N677-I679 PolarHBondContact O-N 3.41Å; I679-R681 VanDerWaalsContact C-N 3.34Å; I679-R681 PolarHBondContact O-N 2.97Å; I679-I682 PolarHBondContact O-N 3.42Å; I679-F683 HydrophobicContact CG2-CD2 3.81Å; I679-F683 HydrophobicContact CG2-CE2 3.77Å; I679-F683 WeakPolarHBondContact O-CD2 3.35Å; I679-F683 PolarHBondContact O-N 2.85Å; I679-T771 HydrophobicContact CB-CG2 4.21Å; I679-T771 HydrophobicContact CG2-CG2 3.77Å; I679-I784 HydrophobicContact CD1-CD1 3.87Å
680	A	79.5	Confident	77.4	Confident	17 Å²	17	47.2 Å²	47.2	14%	0.14	27%	0.274	C	S	.	.	H	α-helix	trans	-57.1	-43.2	179.6	0	0	0	0	0	113	T676 N677 F683 S684 Y767 T771	T676-A680 WeakPolarHBondContact O-CB 3.48Å; T676-A680 PolarHBondContact O-N 2.93Å; N677-A680 PolarHBondContact O-N 3.09Å; A680-F683 PolarHBondContact O-N 2.94Å; A680-S684 WeakPolarHBondContact O-CB 3.07Å; A680-S684 PolarHBondContact O-N 2.86Å; A680-S684 PolarHBondContact O-OG 2.87Å; A680-Y767 HydrophobicContact CB-CD1 4.11Å; A680-T771 HydrophobicContact CB-CG2 3.84Å
681	R	79.4	Confident	75.7	Confident	47 Å²	47	55.4 Å²	55.4	18%	0.177	31%	0.312	C	S	.	.	H	α-helix	trans	-69.1	-34.2	179	-72.8	-173.4	-63.1	175.4	7.3	113.8	N677 R678 I679 F683 S684 G685 F695	N677-R681 WeakPolarHBondContact O-CB 3.12Å; N677-R681 WeakPolarHBondContact O-CG 3.36Å; N677-R681 PolarHBondContact O-N 3.48Å; N677-R681 WeakPolarHBondContact OD1-CG 3.37Å; N677-R681 PolarHBondContact OD1-NE 2.82Å; R678-R681 PolarHBondContact O-N 3.07Å; I679-R681 VanDerWaalsContact C-N 3.34Å; I679-R681 PolarHBondContact O-N 2.97Å; R681-F683 VanDerWaalsContact C-N 3.34Å; R681-S684 WeakPolarHBondContact CA-OG 3.35Å; R681-S684 PolarHBondContact O-OG 3.05Å; R681-G685 PolarHBondContact O-N 3.08Å; R681-F695 PolarHBondContact NH2-O 2.95Å
682	I	78	Confident	74.1	Confident	58 Å²	58	66 Å²	66	30%	0.297	35%	0.352	S	S	.	.	H	α-helix	trans	-63.3	-44.1	174.5	-70.1	165.7	0	0	0	109.7	R678 I679 V686 I696	R678-I682 HydrophobicContact CG-CD1 3.99Å; R678-I682 WeakPolarHBondContact O-CD1 3.42Å; R678-I682 VanDerWaalsContact O-CG1 3.27Å; R678-I682 WeakPolarHBondContact O-CG1 3.19Å; R678-I682 PolarHBondContact O-N 3.4Å; R678-I682 VanDerWaalsContact O-N 3.13Å; I679-I682 PolarHBondContact O-N 3.42Å; I682-V686 VanDerWaalsContact O-CG2 3.3Å; I682-V686 WeakPolarHBondContact O-CG2 3.43Å; I682-V686 PolarHBondContact O-N 3.02Å; I682-I696 HydrophobicContact CG1-CD1 4.13Å
683	F	72.8	Confident	72.8	Confident	53 Å²	53	67.8 Å²	67.8	23%	0.232	36%	0.364	C	S	.	.	H	α-helix	trans	-80	-28.7	-177.9	-73.3	-72.8	0	0	0	114.3	I679 A680 R681 C774 P775 F778	I679-F683 HydrophobicContact CG2-CD2 3.81Å; I679-F683 HydrophobicContact CG2-CE2 3.77Å; I679-F683 WeakPolarHBondContact O-CD2 3.35Å; I679-F683 PolarHBondContact O-N 2.85Å; A680-F683 PolarHBondContact O-N 2.94Å; R681-F683 VanDerWaalsContact C-N 3.34Å; F683-C774 HydrophobicContact CD2-CB 4.28Å; F683-C774 WeakPolarHBondContact CD2-SG 3.45Å; F683-C774 HydrophobicContact CE1-CB 4.39Å; F683-C774 HydrophobicContact CE2-CB 3.85Å; F683-C774 WeakPolarHBondContact CE2-SG 3.41Å; F683-C774 HydrophobicContact CZ-CB 3.91Å; F683-P775 HydrophobicContact CE1-CG 4.04Å; F683-F778 AromaticContact CZ-CD2 3.98Å; F683-F778 HydrophobicContact CZ-CD2 3.98Å; F683-F778 HydrophobicContact CZ-CE2 4.44Å; F683-F778 HydrophobicContact CZ-CG 4.37Å
684	S	67.9	Low	71.6	Confident	57 Å²	57	77.4 Å²	77.4	40%	0.399	40%	0.399	S	S	.	.	H	α-helix	trans	-70.7	-42.2	171.8	66.2	0	0	0	0	111.4	A680 R681 V686 K687 D688	A680-S684 WeakPolarHBondContact O-CB 3.07Å; A680-S684 PolarHBondContact O-N 2.86Å; A680-S684 PolarHBondContact O-OG 2.87Å; R681-S684 WeakPolarHBondContact CA-OG 3.35Å; R681-S684 PolarHBondContact O-OG 3.05Å; S684-V686 PolarHBondContact O-N 2.84Å; S684-K687 WeakPolarHBondContact O-CB 3.37Å; S684-K687 PolarHBondContact O-N 3.25Å; S684-D688 PolarHBondContact O-N 3.25Å
685	G	63.3	Low	70.5	Confident	16 Å²	16	83.7 Å²	83.7	17%	0.165	43%	0.426	C	S	.	.	H	α-helix	trans	-62.5	-27.8	177.1	0	0	0	0	0	114	R681 K687	R681-G685 PolarHBondContact O-N 3.08Å; G685-K687 VanDerWaalsContact C-N 3.35Å
686	V	63.4	Low	69.8	Low	115 Å²	115	85 Å²	85	70%	0.697	43%	0.434	S	S	*	.	H	α-helix	trans	-73.6	-25.7	174.3	172.9	0	0	0	0	112.3	I682 S684	I682-V686 VanDerWaalsContact O-CG2 3.3Å; I682-V686 WeakPolarHBondContact O-CG2 3.43Å; I682-V686 PolarHBondContact O-N 3.02Å; S684-V686 PolarHBondContact O-N 2.84Å
687	K	60.9	Low	69.4	Low	183 Å²	183	88.2 Å²	88.2	80%	0.796	46%	0.456	S	S	*	.	H	α-helix	trans	-78.4	-29.7	176.6	-81.9	-174.6	170.9	-172.3	0	113.4	S684 G685	S684-K687 WeakPolarHBondContact O-CB 3.37Å; S684-K687 PolarHBondContact O-N 3.25Å; G685-K687 VanDerWaalsContact C-N 3.35Å
688	D	57.4	Low	69.1	Low	142 Å²	142	90.6 Å²	90.6	76%	0.759	47%	0.473	S	S	*	.	S	Bend	trans	-97.2	12	-172	-59.3	-29.2	0	0	0	113.7	S684	S684-D688 PolarHBondContact O-N 3.25Å
689	G	56.3	Low	69	Low	44 Å²	44	91.2 Å²	91.2	45%	0.454	49%	0.491	S	S	.	.			trans	99.5	161.2	-179.7	0	0	0	0	0	114.2	Q691	G689-Q691 VanDerWaalsContact C-N 3.26Å; G689-Q691 PolarHBondContact O-N 3.19Å
690	A	55.3	Low	69.1	Low	119 Å²	119	91.2 Å²	91.2	98%	0.983	49%	0.493	S	S	*	.	S	Bend	trans	-73.3	51.3	-163.9	0	0	0	0	0	116.3
691	Q	58.1	Low	69.5	Low	173 Å²	173	90.8 Å²	90.8	81%	0.808	49%	0.488	S	S	*	.	P	Polyproline II helix	trans	-101.5	136.6	166.6	-91.3	-169.6	-4.4	0	0	111.7	G689 P693	G689-Q691 VanDerWaalsContact C-N 3.26Å; G689-Q691 PolarHBondContact O-N 3.19Å; Q691-P693 VanDerWaalsContact O-CD 3.3Å; Q691-P693 WeakPolarHBondContact O-CD 3.45Å
692	R	59.8	Low	70	Confident	222 Å²	222	91.2 Å²	91.2	84%	0.838	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-67.2	119.2	174.9	-169.5	176.6	-175.6	-179.3	1.5	109.2
693	P	63.1	Low	70.6	Confident	40 Å²	40	91.5 Å²	91.5	26%	0.26	51%	0.507	S	S	.	.	P	Polyproline II helix	trans	-63.1	143	-177.8	-16.5	25.8	0	0	0	112.1	Q691 I696	Q691-P693 VanDerWaalsContact O-CD 3.3Å; Q691-P693 WeakPolarHBondContact O-CD 3.45Å; P693-I696 HydrophobicContact CB-CD1 3.7Å; P693-I696 HydrophobicContact CB-CG1 4.35Å; P693-I696 HydrophobicContact CG-CD1 3.68Å
694	R	65.8	Low	71.4	Confident	214 Å²	214	91.4 Å²	91.4	81%	0.808	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	150.4	175.5	-67.1	-178.7	175.4	175.1	-1.5	110.9
695	F	68.3	Low	72.6	Confident	134 Å²	134	88.7 Å²	88.7	59%	0.588	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.5	35.8	176.9	-46.4	-75.9	0	0	0	117.1	R681 S700	R681-F695 PolarHBondContact NH2-O 2.95Å; F695-S700 VanDerWaalsContact C-OG 3.28Å; F695-S700 WeakPolarHBondContact CA-OG 3.49Å; F695-S700 PolarHBondContact O-OG 2.92Å
696	I	73.6	Confident	73.9	Confident	36 Å²	36	89.2 Å²	89.2	19%	0.185	50%	0.495	C	S	.	.			trans	-89.5	-13	172	-67.5	176.4	0	0	0	112.5	I682 P693 Q701	I682-I696 HydrophobicContact CG1-CD1 4.13Å; P693-I696 HydrophobicContact CB-CD1 3.7Å; P693-I696 HydrophobicContact CB-CG1 4.35Å; P693-I696 HydrophobicContact CG-CD1 3.68Å; I696-Q701 PolarHBondContact O-NE2 2.78Å
697	S	80.3	Confident	75.3	Confident	67 Å²	67	86.8 Å²	86.8	47%	0.469	49%	0.487	S	S	.	.	S	Bend	trans	-63.4	142.4	-178.7	179.3	0	0	0	0	112.4	A699 S700 Q701	S697-A699 VanDerWaalsContact C-N 3.27Å; S697-A699 PolarHBondContact O-N 2.92Å; S697-S700 PolarHBondContact N-OG 3.24Å; S697-S700 PolarHBondContact O-N 2.8Å; S697-S700 PolarHBondContact O-OG 2.82Å; S697-Q701 PolarHBondContact O-N 2.8Å; S697-Q701 VanDerWaalsContact O-N 3.1Å
698	P	80.3	Confident	76.9	Confident	82 Å²	82	80.1 Å²	80.1	53%	0.532	46%	0.46	S	S	.	.	H	α-helix	trans	-51.6	-42.2	176	-27.7	35.2	0	0	0	113.6	S700 Q701 V702	P698-S700 PolarHBondContact O-N 2.92Å; P698-Q701 WeakPolarHBondContact O-CB 2.99Å; P698-Q701 PolarHBondContact O-N 2.89Å; P698-Q701 VanDerWaalsContact O-N 3.14Å; P698-V702 WeakPolarHBondContact O-CG2 3.42Å; P698-V702 PolarHBondContact O-N 2.84Å
699	A	83.3	Confident	78.6	Confident	73 Å²	73	74.7 Å²	74.7	60%	0.603	43%	0.431	S	S	*	.	H	α-helix	trans	-61.6	-42	177.9	0	0	0	0	0	112.3	S697 Q701 V702 A703	S697-A699 VanDerWaalsContact C-N 3.27Å; S697-A699 PolarHBondContact O-N 2.92Å; A699-Q701 VanDerWaalsContact C-N 3.3Å; A699-Q701 PolarHBondContact O-N 3.21Å; A699-V702 PolarHBondContact O-N 3.44Å; A699-A703 WeakPolarHBondContact O-CB 3.4Å; A699-A703 PolarHBondContact O-N 3.4Å
700	S	85.3	Confident	80.4	Confident	24 Å²	24	75.7 Å²	75.7	17%	0.168	43%	0.431	C	S	.	.	H	α-helix	trans	-68	-28.7	176.5	60.9	0	0	0	0	113.2	F695 S697 P698 I704	F695-S700 VanDerWaalsContact C-OG 3.28Å; F695-S700 WeakPolarHBondContact CA-OG 3.49Å; F695-S700 PolarHBondContact O-OG 2.92Å; S697-S700 PolarHBondContact N-OG 3.24Å; S697-S700 PolarHBondContact O-N 2.8Å; S697-S700 PolarHBondContact O-OG 2.82Å; P698-S700 PolarHBondContact O-N 2.92Å; S700-I704 WeakPolarHBondContact O-CD1 3.36Å; S700-I704 VanDerWaalsContact O-CG1 3.24Å; S700-I704 WeakPolarHBondContact O-CG1 3.41Å; S700-I704 PolarHBondContact O-N 3.49Å; S700-I704 VanDerWaalsContact O-N 3.12Å
701	Q	87.4	Confident	82.2	Confident	8 Å²	8	72.8 Å²	72.8	4%	0.037	40%	0.402	C	S	.	.	H	α-helix	trans	-73.8	-43	176.2	-67.6	173.8	17.4	0	0	111.5	L627 T674 R678 I696 S697 P698 A699 A703 I704 C705	L627-Q701 HydrophobicContact CD1-CB 4.15Å; L627-Q701 HydrophobicContact CD2-CB 4.37Å; L627-Q701 HydrophobicContact CG-CB 4.43Å; T674-Q701 HydrophobicContact CG2-CB 3.95Å; T674-Q701 HydrophobicContact CG2-CG 4.4Å; T674-Q701 WeakPolarHBondContact CG2-O 3.31Å; R678-Q701 VanDerWaalsContact CD-NE2 3.27Å; I696-Q701 PolarHBondContact O-NE2 2.78Å; S697-Q701 PolarHBondContact O-N 2.8Å; S697-Q701 VanDerWaalsContact O-N 3.1Å; P698-Q701 WeakPolarHBondContact O-CB 2.99Å; P698-Q701 PolarHBondContact O-N 2.89Å; P698-Q701 VanDerWaalsContact O-N 3.14Å; A699-Q701 VanDerWaalsContact C-N 3.3Å; A699-Q701 PolarHBondContact O-N 3.21Å; Q701-A703 VanDerWaalsContact C-N 3.3Å; Q701-A703 PolarHBondContact O-N 3.42Å; Q701-I704 PolarHBondContact O-N 3.15Å; Q701-C705 WeakPolarHBondContact O-CB 3.18Å; Q701-C705 PolarHBondContact O-N 3.25Å
702	V	90.1	Very high	83.8	Confident	55 Å²	55	64.6 Å²	64.6	33%	0.333	36%	0.364	S	S	.	.	H	α-helix	trans	-62.3	-40.4	174.5	175.9	0	0	0	0	110.6	E626 I630 P698 A699 C705 G706	E626-V702 HydrophobicContact CB-CG2 3.52Å; E626-V702 HydrophobicContact CG-CG2 4.06Å; I630-V702 HydrophobicContact CD1-CG1 4.36Å; I630-V702 HydrophobicContact CD1-CG2 4.44Å; P698-V702 WeakPolarHBondContact O-CG2 3.42Å; P698-V702 PolarHBondContact O-N 2.84Å; A699-V702 PolarHBondContact O-N 3.44Å; V702-C705 PolarHBondContact O-N 2.71Å; V702-G706 PolarHBondContact O-N 2.87Å
703	A	90.4	Very high	85.3	Confident	64 Å²	64	57.4 Å²	57.4	53%	0.529	34%	0.342	S	S	.	.	H	α-helix	trans	-62.6	-44	175.8	0	0	0	0	0	113.2	A699 Q701 G706 A707	A699-A703 WeakPolarHBondContact O-CB 3.4Å; A699-A703 PolarHBondContact O-N 3.4Å; Q701-A703 VanDerWaalsContact C-N 3.3Å; Q701-A703 PolarHBondContact O-N 3.42Å; A703-G706 PolarHBondContact O-N 3.2Å; A703-A707 WeakPolarHBondContact O-CB 3.39Å; A703-A707 PolarHBondContact O-N 3.31Å
704	I	89.6	Confident	86.7	Confident	51 Å²	51	60 Å²	60	26%	0.262	36%	0.356	S	S	.	.	H	α-helix	trans	-62.9	-44.8	175.7	-68.4	163.4	0	0	0	110.7	T674 S700 Q701 A707 L708	T674-I704 HydrophobicContact CG2-CB 4.48Å; T674-I704 HydrophobicContact CG2-CG2 4.42Å; S700-I704 WeakPolarHBondContact O-CD1 3.36Å; S700-I704 VanDerWaalsContact O-CG1 3.24Å; S700-I704 WeakPolarHBondContact O-CG1 3.41Å; S700-I704 PolarHBondContact O-N 3.49Å; S700-I704 VanDerWaalsContact O-N 3.12Å; Q701-I704 PolarHBondContact O-N 3.15Å; I704-A707 PolarHBondContact O-N 3.47Å; I704-L708 HydrophobicContact CG2-CD1 4.36Å; I704-L708 WeakPolarHBondContact O-CG 3.3Å; I704-L708 PolarHBondContact O-N 3.03Å; I704-L708 VanDerWaalsContact O-N 3.15Å
705	C	92.3	Very high	87.8	Confident	0 Å²	0	53 Å²	53	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-61.2	-46.1	177.2	-170.9	0	0	0	0	111.1	L627 Q701 V702 A707 L708 I709	L627-C705 HydrophobicContact CD2-CB 4.02Å; Q701-C705 WeakPolarHBondContact O-CB 3.18Å; Q701-C705 PolarHBondContact O-N 3.25Å; V702-C705 PolarHBondContact O-N 2.71Å; C705-A707 PolarHBondContact O-N 3.47Å; C705-L708 PolarHBondContact O-N 3.27Å; C705-I709 WeakPolarHBondContact O-CG1 3.16Å; C705-I709 PolarHBondContact O-N 2.95Å
706	G	91.6	Very high	88.8	Confident	28 Å²	28	47 Å²	47	29%	0.289	31%	0.312	S	S	.	.	H	α-helix	trans	-58.8	-45	176.1	0	0	0	0	0	112.4	V702 A703 L708 I709 S710	V702-G706 PolarHBondContact O-N 2.87Å; A703-G706 PolarHBondContact O-N 3.2Å; G706-L708 VanDerWaalsContact C-N 3.34Å; G706-L708 PolarHBondContact O-N 2.99Å; G706-I709 PolarHBondContact O-N 2.76Å; G706-S710 WeakPolarHBondContact O-CB 3.41Å; G706-S710 PolarHBondContact O-N 3.24Å; G706-S710 PolarHBondContact O-OG 3.4Å
707	A	92.9	Very high	89.5	Confident	64 Å²	64	48.8 Å²	48.8	53%	0.529	32%	0.324	S	S	.	.	H	α-helix	trans	-60.6	-41	177.6	0	0	0	0	0	112.8	A703 I704 C705 S710 C711	A703-A707 WeakPolarHBondContact O-CB 3.39Å; A703-A707 PolarHBondContact O-N 3.31Å; I704-A707 PolarHBondContact O-N 3.47Å; C705-A707 PolarHBondContact O-N 3.47Å; A707-S710 PolarHBondContact O-N 2.88Å; A707-C711 PolarHBondContact O-N 2.97Å; A707-C711 VanDerWaalsContact O-N 3.14Å
708	L	93.3	Very high	89.9	Confident	43 Å²	43	49.4 Å²	49.4	23%	0.225	33%	0.325	C	S	.	.	H	α-helix	trans	-67	-35.6	176.4	-68.4	170.7	0	0	0	112.5	S670 L673 I704 C705 G706 Y756	S670-L708 VanDerWaalsContact OG-CB 3.31Å; S670-L708 WeakPolarHBondContact OG-CB 3.4Å; L673-L708 HydrophobicContact CD2-CD1 3.97Å; I704-L708 HydrophobicContact CG2-CD1 4.36Å; I704-L708 WeakPolarHBondContact O-CG 3.3Å; I704-L708 PolarHBondContact O-N 3.03Å; I704-L708 VanDerWaalsContact O-N 3.15Å; C705-L708 PolarHBondContact O-N 3.27Å; G706-L708 VanDerWaalsContact C-N 3.34Å; G706-L708 PolarHBondContact O-N 2.99Å; L708-Y756 PolarHBondContact O-OH 3.05Å
709	I	94.7	Very high	90.2	Very high	28 Å²	28	48.3 Å²	48.3	14%	0.144	31%	0.31	C	S	.	.	H	α-helix	trans	-69.9	-43.9	174.6	-65.2	163.6	0	0	0	110.5	I630 V667 C705 G706 C711 Q712 L713	I630-I709 HydrophobicContact CG2-CD1 4.35Å; V667-I709 HydrophobicContact CB-CD1 4.48Å; V667-I709 HydrophobicContact CG2-CD1 4.13Å; V667-I709 HydrophobicContact CG2-CG1 4.28Å; V667-I709 HydrophobicContact CG2-CG2 4.17Å; C705-I709 WeakPolarHBondContact O-CG1 3.16Å; C705-I709 PolarHBondContact O-N 2.95Å; G706-I709 PolarHBondContact O-N 2.76Å; I709-C711 PolarHBondContact O-N 3Å; I709-Q712 PolarHBondContact O-N 3.06Å; I709-Q712 VanDerWaalsContact O-N 3.09Å; I709-L713 HydrophobicContact CG2-CD1 4.3Å; I709-L713 PolarHBondContact O-N 3.23Å; I709-L713 VanDerWaalsContact O-N 3.11Å
710	S	92.8	Very high	90.3	Very high	65 Å²	65	46.9 Å²	46.9	46%	0.455	29%	0.292	S	S	.	.	H	α-helix	trans	-58.9	-35.4	178.1	-64	0	0	0	0	112.4	G706 A707 Q712 L713 V714	G706-S710 WeakPolarHBondContact O-CB 3.41Å; G706-S710 PolarHBondContact O-N 3.24Å; G706-S710 PolarHBondContact O-OG 3.4Å; A707-S710 PolarHBondContact O-N 2.88Å; S710-Q712 PolarHBondContact O-N 2.9Å; S710-L713 PolarHBondContact O-N 2.86Å; S710-V714 WeakPolarHBondContact O-CG2 3.07Å; S710-V714 PolarHBondContact O-N 2.64Å
711	C	92.8	Very high	90.3	Very high	57 Å²	57	52.7 Å²	52.7	39%	0.385	32%	0.32	S	S	.	.	H	α-helix	trans	-57.9	-46.6	174	-172.3	0	0	0	0	111.9	A707 I709 L713 V714 V715 Y756	A707-C711 PolarHBondContact O-N 2.97Å; A707-C711 VanDerWaalsContact O-N 3.14Å; I709-C711 PolarHBondContact O-N 3Å; C711-L713 PolarHBondContact O-N 2.92Å; C711-V714 PolarHBondContact O-N 2.95Å; C711-V715 WeakPolarHBondContact O-CG2 3.43Å; C711-V715 PolarHBondContact O-N 2.99Å; C711-V715 VanDerWaalsContact O-N 3.14Å; C711-Y756 HydrophobicContact CB-CE2 4.28Å; C711-Y756 WeakPolarHBondContact CB-OH 3.48Å
712	Q	93	Very high	90.3	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.005	35%	0.351	C	S	.	.	H	α-helix	trans	-63.8	-41.5	175.9	-179.9	62.9	23.8	0	0	111.9	A666 I709 S710 V714 V715 V716 Y756	A666-Q712 HydrophobicContact CB-CB 3.61Å; A666-Q712 HydrophobicContact CB-CG 3.68Å; I709-Q712 PolarHBondContact O-N 3.06Å; I709-Q712 VanDerWaalsContact O-N 3.09Å; S710-Q712 PolarHBondContact O-N 2.9Å; Q712-V714 VanDerWaalsContact C-N 3.32Å; Q712-V714 PolarHBondContact O-N 3.17Å; Q712-V715 PolarHBondContact O-N 2.91Å; Q712-V716 HydrophobicContact CG-CG2 4.36Å; Q712-V716 VanDerWaalsContact NE2-CG2 3.31Å; Q712-V716 WeakPolarHBondContact O-CG2 3.36Å; Q712-V716 PolarHBondContact O-N 3.03Å; Q712-Y756 HydrophobicContact CB-CD1 3.88Å; Q712-Y756 HydrophobicContact CB-CE1 3.83Å; Q712-Y756 HydrophobicContact CG-CD1 4.42Å; Q712-Y756 VanDerWaalsContact OE1-CB 3.31Å
713	L	91.4	Very high	89.9	Confident	72 Å²	72	57.6 Å²	57.6	38%	0.377	35%	0.347	S	S	.	.	H	α-helix	trans	-60.9	-42.1	179.1	-70.2	173.8	0	0	0	111.6	T663 I709 S710 C711 V716 V717	T663-L713 HydrophobicContact CG2-CD2 3.85Å; I709-L713 HydrophobicContact CG2-CD1 4.3Å; I709-L713 PolarHBondContact O-N 3.23Å; I709-L713 VanDerWaalsContact O-N 3.11Å; S710-L713 PolarHBondContact O-N 2.86Å; C711-L713 PolarHBondContact O-N 2.92Å; L713-V716 PolarHBondContact O-N 2.95Å; L713-V717 WeakPolarHBondContact O-CB 3.41Å; L713-V717 VanDerWaalsContact O-CG2 3.27Å; L713-V717 WeakPolarHBondContact O-CG2 3.31Å; L713-V717 PolarHBondContact O-N 3.16Å
714	V	91.5	Very high	89.7	Confident	93 Å²	93	57.9 Å²	57.9	56%	0.564	35%	0.35	S	S	*	.	H	α-helix	trans	-62.1	-45.5	175.7	173.3	0	0	0	0	111.1	S710 C711 Q712 V716 V717 V718	S710-V714 WeakPolarHBondContact O-CG2 3.07Å; S710-V714 PolarHBondContact O-N 2.64Å; C711-V714 PolarHBondContact O-N 2.95Å; Q712-V714 VanDerWaalsContact C-N 3.32Å; Q712-V714 PolarHBondContact O-N 3.17Å; V714-V716 VanDerWaalsContact C-N 3.3Å; V714-V716 PolarHBondContact O-N 2.87Å; V714-V717 PolarHBondContact O-N 2.93Å; V714-V718 HydrophobicContact CG1-CG2 4.42Å; V714-V718 WeakPolarHBondContact O-CG2 3.23Å; V714-V718 PolarHBondContact O-N 2.88Å
715	V	89.4	Confident	89.5	Confident	67 Å²	67	57.3 Å²	57.3	41%	0.406	35%	0.349	S	S	.	.	H	α-helix	trans	-57	-44.8	177.4	171.7	0	0	0	0	111.1	C711 Q712 W719	C711-V715 WeakPolarHBondContact O-CG2 3.43Å; C711-V715 PolarHBondContact O-N 2.99Å; C711-V715 VanDerWaalsContact O-N 3.14Å; Q712-V715 PolarHBondContact O-N 2.91Å; V715-W719 WeakPolarHBondContact O-CB 3.31Å; V715-W719 PolarHBondContact O-N 3.38Å
716	V	88.8	Confident	89.2	Confident	8 Å²	8	58 Å²	58	5%	0.048	36%	0.356	C	S	.	.	H	α-helix	trans	-72.4	-36.7	-179	-177.9	0	0	0	0	112.2	L659 Q712 L713 V714 W719 M720	L659-V716 HydrophobicContact CD2-CG1 3.81Å; Q712-V716 HydrophobicContact CG-CG2 4.36Å; Q712-V716 VanDerWaalsContact NE2-CG2 3.31Å; Q712-V716 WeakPolarHBondContact O-CG2 3.36Å; Q712-V716 PolarHBondContact O-N 3.03Å; L713-V716 PolarHBondContact O-N 2.95Å; V714-V716 VanDerWaalsContact C-N 3.3Å; V714-V716 PolarHBondContact O-N 2.87Å; V716-W719 WeakPolarHBondContact O-CB 3.46Å; V716-W719 PolarHBondContact O-N 3.44Å; V716-M720 WeakPolarHBondContact O-CG 3.38Å; V716-M720 PolarHBondContact O-N 3.17Å
717	V	88.9	Confident	89.1	Confident	75 Å²	75	59.9 Å²	59.9	46%	0.455	36%	0.362	S	S	.	.	H	α-helix	trans	-62.9	-45.7	175.1	169.3	0	0	0	0	110.9	L713 V714 W719 M720 L721	L713-V717 WeakPolarHBondContact O-CB 3.41Å; L713-V717 VanDerWaalsContact O-CG2 3.27Å; L713-V717 WeakPolarHBondContact O-CG2 3.31Å; L713-V717 PolarHBondContact O-N 3.16Å; V714-V717 PolarHBondContact O-N 2.93Å; V717-W719 VanDerWaalsContact C-N 3.28Å; V717-W719 PolarHBondContact O-N 3.39Å; V717-M720 HydrophobicContact CG2-CE 4.21Å; V717-M720 PolarHBondContact O-N 3.33Å; V717-L721 PolarHBondContact O-N 3.25Å
718	V	88.8	Confident	88.7	Confident	79 Å²	79	60.2 Å²	60.2	48%	0.479	35%	0.349	S	S	.	.	H	α-helix	trans	-59.7	-41.7	174	173.5	0	0	0	0	110.5	V714 M720 L721 V722	V714-V718 HydrophobicContact CG1-CG2 4.42Å; V714-V718 WeakPolarHBondContact O-CG2 3.23Å; V714-V718 PolarHBondContact O-N 2.88Å; V718-M720 PolarHBondContact O-N 3.05Å; V718-L721 PolarHBondContact O-N 3.3Å; V718-V722 WeakPolarHBondContact O-CG2 3.4Å; V718-V722 PolarHBondContact O-N 3.29Å; V718-V722 VanDerWaalsContact O-N 3.15Å
719	W	85.4	Confident	88.2	Confident	60 Å²	60	64.2 Å²	64.2	23%	0.227	37%	0.365	C	S	.	.	H	α-helix	trans	-59.1	-42.7	177.3	-167.4	-82.8	0	0	0	113	V715 V716 V717 L721 V722 E723 S749 V752	V715-W719 WeakPolarHBondContact O-CB 3.31Å; V715-W719 PolarHBondContact O-N 3.38Å; V716-W719 WeakPolarHBondContact O-CB 3.46Å; V716-W719 PolarHBondContact O-N 3.44Å; V717-W719 VanDerWaalsContact C-N 3.28Å; V717-W719 PolarHBondContact O-N 3.39Å; W719-L721 VanDerWaalsContact C-N 3.28Å; W719-L721 PolarHBondContact O-N 2.93Å; W719-V722 PolarHBondContact O-N 2.99Å; W719-E723 PolarHBondContact NE1-OE2 2.85Å; W719-E723 PolarHBondContact O-N 3.02Å; W719-S749 VanDerWaalsContact CE2-OG 3.31Å; W719-S749 VanDerWaalsContact CZ2-CB 3.47Å; W719-S749 WeakPolarHBondContact CZ2-OG 3.34Å; W719-S749 PolarHBondContact NE1-OG 2.98Å; W719-V752 HydrophobicContact CH2-CB 4.23Å; W719-V752 HydrophobicContact CH2-CG1 4.03Å; W719-V752 HydrophobicContact CZ3-CB 4.29Å; W719-V752 HydrophobicContact CZ3-CG1 3.65Å
720	M	85.6	Confident	87.5	Confident	42 Å²	42	66.3 Å²	66.3	21%	0.207	37%	0.374	C	S	.	.	H	α-helix	trans	-67	-27	178.2	-70.5	-171.6	-64.6	0	0	113.6	T655 L659 V716 V717 V718 E723	T655-M720 HydrophobicContact CG2-SD 4.05Å; L659-M720 HydrophobicContact CD1-CE 4.46Å; L659-M720 HydrophobicContact CD1-SD 4.26Å; L659-M720 HydrophobicContact CD2-CE 3.47Å; L659-M720 VanDerWaalsContact CD2-CE 3.47Å; L659-M720 HydrophobicContact CD2-SD 3.88Å; L659-M720 HydrophobicContact CG-CE 4.1Å; L659-M720 HydrophobicContact CG-SD 3.84Å; V716-M720 WeakPolarHBondContact O-CG 3.38Å; V716-M720 PolarHBondContact O-N 3.17Å; V717-M720 HydrophobicContact CG2-CE 4.21Å; V717-M720 PolarHBondContact O-N 3.33Å; V718-M720 PolarHBondContact O-N 3.05Å; M720-E723 CarbonylContact O-C 3.21Å
721	L	86.1	Confident	86.7	Confident	146 Å²	146	65.1 Å²	65.1	76%	0.764	36%	0.364	S	S	*	.	H	α-helix	trans	-76	-36.5	175.8	-66.9	173.4	0	0	0	112	V717 V718 W719	V717-L721 PolarHBondContact O-N 3.25Å; V718-L721 PolarHBondContact O-N 3.3Å; W719-L721 VanDerWaalsContact C-N 3.28Å; W719-L721 PolarHBondContact O-N 2.93Å
722	V	86.5	Confident	85.6	Confident	114 Å²	114	65 Å²	65	69%	0.691	36%	0.364	S	S	*	.	H	α-helix	trans	-74.8	-42.4	177.9	177.2	0	0	0	0	111.1	V718 W719	V718-V722 WeakPolarHBondContact O-CG2 3.4Å; V718-V722 PolarHBondContact O-N 3.29Å; V718-V722 VanDerWaalsContact O-N 3.15Å; W719-V722 PolarHBondContact O-N 2.99Å
723	E	83	Confident	84.2	Confident	52 Å²	52	70.9 Å²	70.9	24%	0.243	40%	0.402	C	S	.	.	S	Bend	trans	-122.6	104	177.4	-70.3	-172.8	173.8	0	0	110.6	R658 W719 M720 S749	R658-E723 IonicContact CZ-OE2 3.9Å; R658-E723 PolarHBondContact NH1-O 3.27Å; R658-E723 IonicContact NH2-OE2 3.77Å; R658-E723 PolarHBondContact NH2-OE2 3.47Å; W719-E723 PolarHBondContact NE1-OE2 2.85Å; W719-E723 PolarHBondContact O-N 3.02Å; M720-E723 CarbonylContact O-C 3.21Å; E723-S749 PolarHBondContact OE2-OG 3.19Å
724	A	85.3	Confident	83	Confident	71 Å²	71	76 Å²	76	59%	0.587	42%	0.424	S	S	*	.			trans	-63.3	130.6	178.1	0	0	0	0	0	111.6	G726	A724-G726 PolarHBondContact O-N 3.38Å
725	P	85.3	Confident	81.9	Confident	39 Å²	39	77.4 Å²	77.4	25%	0.253	42%	0.422	S	S	.	.			trans	-69.5	127.4	177.1	28.2	-32.8	0	0	0	110.7	T655	T655-P725 HydrophobicContact CG2-CG 4.36Å; T655-P725 WeakPolarHBondContact OG1-CB 3.43Å; T655-P725 WeakPolarHBondContact OG1-CG 3.45Å
726	G	86.4	Confident	80.9	Confident	14 Å²	14	79.6 Å²	79.6	14%	0.144	42%	0.423	C	S	.	.			trans	-149	-176.3	178.5	0	0	0	0	0	112.1	A724 N744	A724-G726 PolarHBondContact O-N 3.38Å; G726-N744 WeakPolarHBondContact O-CB 3.49Å; G726-N744 PolarHBondContact O-N 2.84Å
727	V	88.6	Confident	80.2	Confident	67 Å²	67	83.1 Å²	83.1	41%	0.406	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	143.6	170.7	-68.8	0	0	0	0	109.2	P649 L741 K742	P649-V727 HydrophobicContact CB-CG1 4.31Å; V727-L741 HydrophobicContact CB-CD1 4.35Å; V727-K742 WeakPolarHBondContact CA-O 3.33Å
728	R	84.6	Confident	79.7	Confident	71 Å²	71	81.6 Å²	81.6	27%	0.268	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	139.6	175.5	65.2	178	176.7	140.4	0.9	109.8	E730 K742 C743 S745	R728-E730 IonicContact NH1-OE1 2.74Å; R728-K742 HydrophobicContact CG-CB 4.1Å; R728-K742 PolarHBondContact N-O 3.35Å; R728-K742 PolarHBondContact O-N 3.12Å; R728-K742 VanDerWaalsContact O-O 3.13Å; R728-C743 PolarHBondContact NE-O 3.24Å; R728-S745 PolarHBondContact NH2-O 3.41Å
729	K	83.9	Confident	79.4	Confident	128 Å²	128	77.9 Å²	77.9	56%	0.557	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.8	129.1	170.2	-58.3	-167.2	-167	-161.8	0	107.9	E580 V739 T740 L741	E580-K729 WeakPolarHBondContact OE1-CE 3.48Å; E580-K729 IonicContact OE1-NZ 2.75Å; E580-K729 PolarHBondContact OE1-NZ 2.96Å; K729-V739 HydrophobicContact CB-CG1 3.8Å; K729-V739 HydrophobicContact CD-CG1 3.98Å; K729-V739 HydrophobicContact CG-CG1 4.22Å; K729-T740 WeakPolarHBondContact CA-O 3.22Å; K729-L741 HydrophobicContact CG-CD1 4.2Å
730	E	79.5	Confident	79.5	Confident	71 Å²	71	76.3 Å²	76.3	33%	0.332	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	127.2	-178.9	-174.9	169.6	-140.4	0	0	109.2	R728 T740 K742	R728-E730 IonicContact NH1-OE1 2.74Å; E730-T740 PolarHBondContact N-O 3.1Å; E730-T740 PolarHBondContact O-N 3.11Å; E730-T740 PolarHBondContact O-OG1 3.35Å; E730-K742 VanDerWaalsContact OE2-CD 3.31Å; E730-K742 WeakPolarHBondContact OE2-CD 3.49Å; E730-K742 VanDerWaalsContact OE2-CE 3.27Å; E730-K742 WeakPolarHBondContact OE2-CE 3.34Å; E730-K742 IonicContact OE2-NZ 3.22Å; E730-K742 PolarHBondContact OE2-NZ 2.91Å
731	V	76	Confident	79.5	Confident	41 Å²	41	74.9 Å²	74.9	25%	0.248	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	126.4	177.6	-178.7	0	0	0	0	107.7	R736 V739	V731-R736 HydrophobicContact CG1-CB 4.47Å; V731-R736 HydrophobicContact CG1-CG 4.47Å; V731-V739 HydrophobicContact CG2-CG2 3.99Å
732	S	69.6	Low	79.5	Confident	55 Å²	55	69.9 Å²	69.9	39%	0.385	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	135.5	178	-179.6	0	0	0	0	110	E734 K735	S732-E734 PolarHBondContact O-N 3.21Å; S732-E734 PolarHBondContact OG-N 2.66Å; S732-K735 CarbonylContact O-C 3.51Å; S732-K735 PolarHBondContact O-N 3.37Å; S732-K735 VanDerWaalsContact O-N 3.11Å; S732-K735 VanDerWaalsContact O-O 3.13Å
733	P	64	Low	79.5	Confident	123 Å²	123	65.7 Å²	65.7	80%	0.799	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-25.1	176.3	22	-30.7	0	0	0	113.1
734	E	66	Low	79.5	Confident	181 Å²	181	67.2 Å²	67.2	85%	0.846	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-20.3	177.7	-65	-176.9	171.8	0	0	113.7	S732	S732-E734 PolarHBondContact O-N 3.21Å; S732-E734 PolarHBondContact OG-N 2.66Å
735	K	67.7	Low	79.2	Confident	121 Å²	121	65 Å²	65	53%	0.526	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	85.3	-177.9	-70.6	-172.1	-177.3	-179.8	0	109.9	S732 D737 I738	S732-K735 CarbonylContact O-C 3.51Å; S732-K735 PolarHBondContact O-N 3.37Å; S732-K735 VanDerWaalsContact O-N 3.11Å; S732-K735 VanDerWaalsContact O-O 3.13Å; K735-D737 WeakPolarHBondContact CA-OD1 3.36Å; K735-D737 WeakPolarHBondContact CB-OD1 3.43Å; K735-D737 PolarHBondContact O-N 2.89Å; K735-I738 HydrophobicContact CD-CD1 4Å
736	R	68.9	Low	78.8	Confident	113 Å²	113	70.1 Å²	70.1	43%	0.426	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	-12.5	178.6	-77.1	-168.3	177.1	-156.4	0.6	113.7	W567 L578 V731 I738	W567-R736 HydrophobicContact CZ3-CB 3.95Å; L578-R736 VanDerWaalsContact CD1-O 3.28Å; L578-R736 WeakPolarHBondContact CD1-O 3.48Å; V731-R736 HydrophobicContact CG1-CB 4.47Å; V731-R736 HydrophobicContact CG1-CG 4.47Å; R736-I738 VanDerWaalsContact C-N 3.31Å
737	D	73.3	Confident	78	Confident	83 Å²	83	72.3 Å²	72.3	44%	0.444	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	-3.6	-179.4	60.9	-40.1	0	0	0	113.6	W567 L578 K735	W567-D737 HydrophobicContact CH2-CB 4.31Å; W567-D737 HydrophobicContact CZ3-CB 4.14Å; L578-D737 WeakPolarHBondContact CD2-O 3.47Å; K735-D737 WeakPolarHBondContact CA-OD1 3.36Å; K735-D737 WeakPolarHBondContact CB-OD1 3.43Å; K735-D737 PolarHBondContact O-N 2.89Å
738	I	78.9	Confident	77.1	Confident	42 Å²	42	72.1 Å²	72.1	22%	0.215	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	127.2	-176.3	-54	176.7	0	0	0	110.5	E581 K735 R736 T740	E581-I738 HydrophobicContact CB-CG2 4.35Å; E581-I738 HydrophobicContact CG-CG2 3.9Å; K735-I738 HydrophobicContact CD-CD1 4Å; R736-I738 VanDerWaalsContact C-N 3.31Å; I738-T740 HydrophobicContact CG2-CG2 4.37Å
739	V	83.9	Confident	76.7	Confident	2 Å²	2	69 Å²	69	1%	0.012	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	114.7	175	-178.8	0	0	0	0	109.4	L578 E581 K729 V731	L578-V739 HydrophobicContact CB-CG2 3.65Å; L578-V739 HydrophobicContact CD1-CG2 4.07Å; E581-V739 PolarHBondContact N-O 3.03Å; K729-V739 HydrophobicContact CB-CG1 3.8Å; K729-V739 HydrophobicContact CD-CG1 3.98Å; K729-V739 HydrophobicContact CG-CG1 4.22Å; V731-V739 HydrophobicContact CG2-CG2 3.99Å
740	T	85.9	Confident	76.2	Confident	26 Å²	26	64.8 Å²	64.8	16%	0.16	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	132.5	177.3	62.3	0	0	0	0	111.2	K729 E730 I738 Y809	K729-T740 WeakPolarHBondContact CA-O 3.22Å; E730-T740 PolarHBondContact N-O 3.1Å; E730-T740 PolarHBondContact O-N 3.11Å; E730-T740 PolarHBondContact O-OG1 3.35Å; I738-T740 HydrophobicContact CG2-CG2 4.37Å; T740-Y809 HydrophobicContact CG2-CE1 4.25Å
741	L	86.4	Confident	76	Confident	13 Å²	13	63.4 Å²	63.4	7%	0.068	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	116	178.7	-171.6	70	0	0	0	110.5	E581 K648 P649 V727 K729	E581-L741 PolarHBondContact O-N 3.32Å; K648-L741 HydrophobicContact CG-CD2 4.43Å; P649-L741 HydrophobicContact CB-CD2 4.19Å; P649-L741 HydrophobicContact CB-CG 4.2Å; P649-L741 HydrophobicContact CG-CD2 4.44Å; P649-L741 HydrophobicContact CG-CG 4.44Å; V727-L741 HydrophobicContact CB-CD1 4.35Å; K729-L741 HydrophobicContact CG-CD1 4.2Å
742	K	85.6	Confident	76.1	Confident	41 Å²	41	65.2 Å²	65.2	18%	0.178	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	160.7	178.7	-66.6	-175.1	-174.7	171.3	0	111.8	V727 R728 E730	V727-K742 WeakPolarHBondContact CA-O 3.33Å; R728-K742 HydrophobicContact CG-CB 4.1Å; R728-K742 PolarHBondContact N-O 3.35Å; R728-K742 PolarHBondContact O-N 3.12Å; R728-K742 VanDerWaalsContact O-O 3.13Å; E730-K742 VanDerWaalsContact OE2-CD 3.31Å; E730-K742 WeakPolarHBondContact OE2-CD 3.49Å; E730-K742 VanDerWaalsContact OE2-CE 3.27Å; E730-K742 WeakPolarHBondContact OE2-CE 3.34Å; E730-K742 IonicContact OE2-NZ 3.22Å; E730-K742 PolarHBondContact OE2-NZ 2.91Å
743	C	86.8	Confident	76.6	Confident	26 Å²	26	63.8 Å²	63.8	18%	0.176	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	145.6	165.6	-68.4	0	0	0	0	110	C654 R728 S745	C654-C743 VanDerWaalsContact CA-SG 3.54Å; C654-C743 HydrophobicContact CB-CB 3.79Å; C654-C743 WeakPolarHBondContact CB-SG 3.38Å; C654-C743 WeakPolarHBondContact SG-CA 3.18Å; C654-C743 WeakPolarHBondContact SG-CB 3.42Å; C654-C743 CovalentContact SG-SG 2.04Å; C654-C743 PolarHBondContact SG-SG 2.92Å; R728-C743 PolarHBondContact NE-O 3.24Å; C743-S745 PolarHBondContact O-N 2.74Å
744	N	83.7	Confident	77.6	Confident	84 Å²	84	58 Å²	58	45%	0.449	30%	0.295	S	S	.	.	S	Bend	trans	-74.2	78.9	175.9	-171.5	25.3	0	0	0	110.1	G726	G726-N744 WeakPolarHBondContact O-CB 3.49Å; G726-N744 PolarHBondContact O-N 2.84Å
745	S	77.8	Confident	78.6	Confident	25 Å²	25	53 Å²	53	18%	0.175	28%	0.276	C	S	.	.			trans	-149.6	141.4	177.7	-167.3	0	0	0	0	108.8	R658 R728 C743 S749	R658-S745 VanDerWaalsContact NH2-CB 3.34Å; R658-S745 PolarHBondContact NH2-OG 2.99Å; R728-S745 PolarHBondContact NH2-O 3.41Å; C743-S745 PolarHBondContact O-N 2.74Å; S745-S749 PolarHBondContact OG-OG 2.88Å
746	K	76.6	Confident	79.7	Confident	145 Å²	145	49.1 Å²	49.1	63%	0.63	26%	0.259	S	S	*	.			trans	-72.8	146.8	168.5	-65.3	178.6	-180	175.4	0	109.3	S748 S749	K746-S748 PolarHBondContact O-N 3.47Å; K746-S749 VanDerWaalsContact O-CB 3.31Å; K746-S749 WeakPolarHBondContact O-CB 3.49Å; K746-S749 PolarHBondContact O-N 3.1Å; K746-S749 VanDerWaalsContact O-N 3.08Å
747	D	69.9	Low	80.7	Confident	61 Å²	61	43.8 Å²	43.8	33%	0.326	24%	0.239	S	C	.	.	H	α-helix	trans	-63.7	-33.3	-179.7	-60.6	-41.7	0	0	0	111.9	S749	D747-S749 VanDerWaalsContact C-N 3.34Å; D747-S749 PolarHBondContact O-N 3.06Å
748	S	71.1	Confident	81.5	Confident	63 Å²	63	42 Å²	42	44%	0.441	23%	0.232	S	C	.	.	H	α-helix	trans	-66.9	-30.4	174.2	55.3	0	0	0	0	113.8	K746 M750 L751 V752	K746-S748 PolarHBondContact O-N 3.47Å; S748-M750 VanDerWaalsContact C-N 3.29Å; S748-M750 PolarHBondContact O-N 3.24Å; S748-L751 PolarHBondContact O-N 2.82Å; S748-V752 WeakPolarHBondContact O-CG2 3.33Å; S748-V752 PolarHBondContact O-N 2.8Å
749	S	75.7	Confident	82.1	Confident	6 Å²	6	44.5 Å²	44.5	4%	0.042	25%	0.245	C	C	.	.	H	α-helix	trans	-63	-37	-179.9	151.5	0	0	0	0	111.6	W719 E723 S745 K746 D747 L751 V752 S753	W719-S749 VanDerWaalsContact CE2-OG 3.31Å; W719-S749 VanDerWaalsContact CZ2-CB 3.47Å; W719-S749 WeakPolarHBondContact CZ2-OG 3.34Å; W719-S749 PolarHBondContact NE1-OG 2.98Å; E723-S749 PolarHBondContact OE2-OG 3.19Å; S745-S749 PolarHBondContact OG-OG 2.88Å; K746-S749 VanDerWaalsContact O-CB 3.31Å; K746-S749 WeakPolarHBondContact O-CB 3.49Å; K746-S749 PolarHBondContact O-N 3.1Å; K746-S749 VanDerWaalsContact O-N 3.08Å; D747-S749 VanDerWaalsContact C-N 3.34Å; D747-S749 PolarHBondContact O-N 3.06Å; S749-L751 VanDerWaalsContact C-N 3.32Å; S749-L751 PolarHBondContact O-N 3.24Å; S749-V752 PolarHBondContact O-N 3.36Å; S749-S753 PolarHBondContact O-N 3.12Å; S749-S753 VanDerWaalsContact O-N 3.15Å
750	M	73.4	Confident	82.5	Confident	38 Å²	38	44.5 Å²	44.5	19%	0.187	25%	0.245	C	C	.	.	H	α-helix	trans	-66.2	-36.2	179.8	-169.6	161.4	59.9	0	0	111.9	Y645 L661 S748 S753 F802 M816	Y645-M750 HydrophobicContact CE1-SD 4.27Å; Y645-M750 PolarHBondContact OH-SD 2.99Å; L661-M750 HydrophobicContact CD2-CG 4.2Å; L661-M750 HydrophobicContact CD2-SD 4.28Å; S748-M750 VanDerWaalsContact C-N 3.29Å; S748-M750 PolarHBondContact O-N 3.24Å; M750-S753 PolarHBondContact O-N 3.4Å; M750-S753 PolarHBondContact O-OG 2.98Å; M750-F802 HydrophobicContact CE-CD2 4.34Å; M750-F802 HydrophobicContact CE-CE1 3.92Å; M750-F802 HydrophobicContact CE-CE2 3.21Å; M750-F802 HydrophobicContact CE-CZ 2.97Å; M750-M816 HydrophobicContact CE-CE 3.24Å; M750-M816 HydrophobicContact CG-CE 4.3Å; M750-M816 HydrophobicContact SD-CE 3.65Å
751	L	74.2	Confident	82.7	Confident	43 Å²	43	43.6 Å²	43.6	23%	0.225	24%	0.24	C	C	.	.	H	α-helix	trans	-67.4	-44	175.5	-179.8	57.1	0	0	0	112.2	S748 S749 S753 L754 Q799 Y803	S748-L751 PolarHBondContact O-N 2.82Å; S749-L751 VanDerWaalsContact C-N 3.32Å; S749-L751 PolarHBondContact O-N 3.24Å; L751-S753 PolarHBondContact O-N 3.34Å; L751-L754 PolarHBondContact O-N 3.42Å; L751-Q799 VanDerWaalsContact CD1-CD 3.41Å; L751-Y803 HydrophobicContact CD2-CE2 3.66Å; L751-Y803 WeakPolarHBondContact CD2-OH 3.23Å
752	V	78.3	Confident	83	Confident	78 Å²	78	47.8 Å²	47.8	47%	0.473	26%	0.261	S	S	.	.	H	α-helix	trans	-57	-37.6	178.4	175.6	0	0	0	0	110.5	W719 S748 S749 L754 T755	W719-V752 HydrophobicContact CH2-CB 4.23Å; W719-V752 HydrophobicContact CH2-CG1 4.03Å; W719-V752 HydrophobicContact CZ3-CB 4.29Å; W719-V752 HydrophobicContact CZ3-CG1 3.65Å; S748-V752 WeakPolarHBondContact O-CG2 3.33Å; S748-V752 PolarHBondContact O-N 2.8Å; S749-V752 PolarHBondContact O-N 3.36Å; V752-L754 PolarHBondContact O-N 2.8Å; V752-T755 WeakPolarHBondContact O-CB 3.5Å; V752-T755 PolarHBondContact O-N 3.12Å; V752-T755 VanDerWaalsContact O-N 3.17Å; V752-T755 PolarHBondContact O-OG1 2.8Å
753	S	80.1	Confident	83.2	Confident	25 Å²	25	49.8 Å²	49.8	18%	0.175	27%	0.273	C	S	.	.	H	α-helix	trans	-61.6	-21.7	176.8	84	0	0	0	0	114.8	S749 M750 L751	S749-S753 PolarHBondContact O-N 3.12Å; S749-S753 VanDerWaalsContact O-N 3.15Å; M750-S753 PolarHBondContact O-N 3.4Å; M750-S753 PolarHBondContact O-OG 2.98Å; L751-S753 PolarHBondContact O-N 3.34Å
754	L	85.2	Confident	83.4	Confident	2 Å²	2	48.5 Å²	48.5	1%	0.01	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-3.6	-179.3	-65.4	174.9	0	0	0	113.4	L661 F665 L751 V752 Y756 N757 C758 W795	L661-L754 HydrophobicContact CD2-CD1 4.23Å; L661-L754 HydrophobicContact CD2-CD2 3.93Å; L661-L754 HydrophobicContact CD2-CG 4.33Å; L661-L754 HydrophobicContact CG-CD2 4.1Å; F665-L754 HydrophobicContact CD2-CD2 4.35Å; L751-L754 PolarHBondContact O-N 3.42Å; V752-L754 PolarHBondContact O-N 2.8Å; L754-Y756 VanDerWaalsContact C-N 3.34Å; L754-Y756 PolarHBondContact O-N 3.19Å; L754-N757 WeakPolarHBondContact O-CA 3.29Å; L754-N757 WeakPolarHBondContact O-CB 3.08Å; L754-N757 PolarHBondContact O-N 3.1Å; L754-C758 PolarHBondContact O-N 3.17Å; L754-W795 HydrophobicContact CD1-CH2 4.17Å; L754-W795 HydrophobicContact CD1-CZ3 3.9Å; L754-W795 HydrophobicContact CD2-CH2 4.38Å
755	T	87.4	Confident	83.7	Confident	76 Å²	76	46 Å²	46	47%	0.466	25%	0.252	S	S	.	.	H	α-helix	trans	-55.7	-45.4	-176.7	-53.2	0	0	0	0	112.6	V752 N757 C758 L759	V752-T755 WeakPolarHBondContact O-CB 3.5Å; V752-T755 PolarHBondContact O-N 3.12Å; V752-T755 VanDerWaalsContact O-N 3.17Å; V752-T755 PolarHBondContact O-OG1 2.8Å; T755-N757 VanDerWaalsContact C-N 3.32Å; T755-N757 PolarHBondContact O-N 3.17Å; T755-C758 WeakPolarHBondContact O-CB 3.45Å; T755-C758 PolarHBondContact O-N 2.57Å; T755-L759 WeakPolarHBondContact O-CG 3.09Å; T755-L759 PolarHBondContact O-N 3.26Å
756	Y	90.9	Very high	84.3	Confident	39 Å²	39	48.9 Å²	48.9	15%	0.153	27%	0.269	C	S	.	.	H	α-helix	trans	-65.2	-36.1	177.4	179.6	-103.2	0	0	0	112.3	L708 C711 Q712 L754 L759 L760	L708-Y756 PolarHBondContact O-OH 3.05Å; C711-Y756 HydrophobicContact CB-CE2 4.28Å; C711-Y756 WeakPolarHBondContact CB-OH 3.48Å; Q712-Y756 HydrophobicContact CB-CD1 3.88Å; Q712-Y756 HydrophobicContact CB-CE1 3.83Å; Q712-Y756 HydrophobicContact CG-CD1 4.42Å; Q712-Y756 VanDerWaalsContact OE1-CB 3.31Å; L754-Y756 VanDerWaalsContact C-N 3.34Å; L754-Y756 PolarHBondContact O-N 3.19Å; Y756-L759 WeakPolarHBondContact O-CB 3.33Å; Y756-L759 PolarHBondContact O-N 2.79Å; Y756-L760 HydrophobicContact CD1-CD1 3.91Å; Y756-L760 HydrophobicContact CD1-CG 4.19Å; Y756-L760 HydrophobicContact CE1-CD1 3.48Å; Y756-L760 VanDerWaalsContact CE1-CD1 3.48Å; Y756-L760 HydrophobicContact CE1-CD2 4.29Å; Y756-L760 HydrophobicContact CE1-CG 3.85Å; Y756-L760 PolarHBondContact O-N 3.37Å
757	N	90.1	Very high	84.8	Confident	2 Å²	2	45.4 Å²	45.4	1%	0.011	25%	0.252	C	S	.	.	H	α-helix	trans	-64.9	-40.8	175	-72.8	-67.4	0	0	0	111.6	G662 F665 A666 L754 T755 L759 L760 I761	G662-N757 WeakPolarHBondContact CA-ND2 3.26Å; G662-N757 PolarHBondContact O-ND2 3.32Å; G662-N757 PolarHBondContact O-OD1 2.93Å; F665-N757 HydrophobicContact CB-CB 4.29Å; F665-N757 WeakPolarHBondContact CB-OD1 3.28Å; A666-N757 WeakPolarHBondContact CA-OD1 3.5Å; A666-N757 PolarHBondContact N-OD1 2.9Å; L754-N757 WeakPolarHBondContact O-CA 3.29Å; L754-N757 WeakPolarHBondContact O-CB 3.08Å; L754-N757 PolarHBondContact O-N 3.1Å; T755-N757 VanDerWaalsContact C-N 3.32Å; T755-N757 PolarHBondContact O-N 3.17Å; N757-L759 VanDerWaalsContact C-N 3.33Å; N757-L759 PolarHBondContact O-N 3.46Å; N757-L760 PolarHBondContact O-N 3.14Å; N757-I761 VanDerWaalsContact O-CG1 3.31Å; N757-I761 WeakPolarHBondContact O-CG1 3.39Å; N757-I761 PolarHBondContact O-N 2.94Å
758	C	89.9	Confident	85.6	Confident	45 Å²	45	42.6 Å²	42.6	30%	0.304	24%	0.237	S	C	.	.	H	α-helix	trans	-59.5	-43.6	172.2	-66.4	0	0	0	0	111.6	L754 T755 L760 I761 I762	L754-C758 PolarHBondContact O-N 3.17Å; T755-C758 WeakPolarHBondContact O-CB 3.45Å; T755-C758 PolarHBondContact O-N 2.57Å; C758-L760 PolarHBondContact O-N 2.85Å; C758-I761 PolarHBondContact O-N 3.35Å; C758-I762 VanDerWaalsContact O-CG1 3.29Å; C758-I762 WeakPolarHBondContact O-CG1 3.49Å; C758-I762 PolarHBondContact O-N 3.07Å
759	L	91.1	Very high	86.3	Confident	94 Å²	94	44.3 Å²	44.3	49%	0.492	24%	0.237	S	C	.	.	H	α-helix	trans	-60.5	-43.5	175.1	-67.9	173.5	0	0	0	111.9	T755 Y756 N757 I761 I762 L763	T755-L759 WeakPolarHBondContact O-CG 3.09Å; T755-L759 PolarHBondContact O-N 3.26Å; Y756-L759 WeakPolarHBondContact O-CB 3.33Å; Y756-L759 PolarHBondContact O-N 2.79Å; N757-L759 VanDerWaalsContact C-N 3.33Å; N757-L759 PolarHBondContact O-N 3.46Å; L759-I761 PolarHBondContact O-N 3.32Å; L759-I762 PolarHBondContact O-N 3.29Å; L759-L763 WeakPolarHBondContact O-CB 3.39Å; L759-L763 VanDerWaalsContact O-CG 3.31Å; L759-L763 WeakPolarHBondContact O-CG 3.37Å; L759-L763 PolarHBondContact O-N 3.1Å
760	L	91.5	Very high	86.7	Confident	2 Å²	2	51.5 Å²	51.5	1%	0.01	27%	0.268	C	S	.	.	H	α-helix	trans	-61.2	-42.9	175.2	-73.3	-179.9	0	0	0	112.1	A666 L673 Y756 N757 C758 L763 C764	A666-L760 HydrophobicContact CB-CD1 4.25Å; L673-L760 HydrophobicContact CD2-CD2 4.17Å; Y756-L760 HydrophobicContact CD1-CD1 3.91Å; Y756-L760 HydrophobicContact CD1-CG 4.19Å; Y756-L760 HydrophobicContact CE1-CD1 3.48Å; Y756-L760 VanDerWaalsContact CE1-CD1 3.48Å; Y756-L760 HydrophobicContact CE1-CD2 4.29Å; Y756-L760 HydrophobicContact CE1-CG 3.85Å; Y756-L760 PolarHBondContact O-N 3.37Å; N757-L760 PolarHBondContact O-N 3.14Å; C758-L760 PolarHBondContact O-N 2.85Å; L760-L763 PolarHBondContact O-N 2.98Å; L760-C764 VanDerWaalsContact O-CB 3.31Å; L760-C764 WeakPolarHBondContact O-CB 3.23Å; L760-C764 PolarHBondContact O-N 2.8Å; L760-C764 PolarHBondContact O-SG 2.97Å
761	I	91.8	Very high	87.1	Confident	8 Å²	8	49.9 Å²	49.9	4%	0.041	26%	0.26	C	S	.	.	H	α-helix	trans	-62.9	-44.5	177.8	-68.3	164.6	0	0	0	110.7	Y669 N757 C758 L759 C764 T765 M788 T791 C792 W795	Y669-I761 HydrophobicContact CD1-CG1 4.15Å; Y669-I761 HydrophobicContact CD2-CD1 4.26Å; Y669-I761 HydrophobicContact CD2-CG1 3.77Å; Y669-I761 HydrophobicContact CE1-CG1 4.05Å; Y669-I761 HydrophobicContact CE2-CD1 3.73Å; Y669-I761 HydrophobicContact CE2-CG1 3.65Å; Y669-I761 HydrophobicContact CG-CG1 4.05Å; N757-I761 VanDerWaalsContact O-CG1 3.31Å; N757-I761 WeakPolarHBondContact O-CG1 3.39Å; N757-I761 PolarHBondContact O-N 2.94Å; C758-I761 PolarHBondContact O-N 3.35Å; L759-I761 PolarHBondContact O-N 3.32Å; I761-C764 PolarHBondContact O-N 2.82Å; I761-T765 WeakPolarHBondContact O-CB 3.36Å; I761-T765 PolarHBondContact O-N 3.38Å; I761-T765 PolarHBondContact O-OG1 3.06Å; I761-M788 HydrophobicContact CG2-CE 4.02Å; I761-M788 WeakPolarHBondContact O-CE 3.26Å; I761-T791 HydrophobicContact CD1-CG2 4.38Å; I761-T791 HydrophobicContact CG1-CG2 4.49Å; I761-T791 HydrophobicContact CG2-CG2 4.41Å; I761-C792 VanDerWaalsContact CG2-SG 3.57Å; I761-W795 HydrophobicContact CD1-CD2 4.41Å; I761-W795 HydrophobicContact CD1-CG 4.06Å
762	I	91.2	Very high	87.3	Confident	100 Å²	100	55 Å²	55	51%	0.513	28%	0.276	S	S	.	.	H	α-helix	trans	-61.2	-49.7	177.2	-67.9	164.9	0	0	0	110.2	C758 L759 C764 T765 V766	C758-I762 VanDerWaalsContact O-CG1 3.29Å; C758-I762 WeakPolarHBondContact O-CG1 3.49Å; C758-I762 PolarHBondContact O-N 3.07Å; L759-I762 PolarHBondContact O-N 3.29Å; I762-C764 PolarHBondContact O-N 3.33Å; I762-T765 WeakPolarHBondContact O-CB 3.3Å; I762-T765 PolarHBondContact O-N 3.11Å; I762-T765 VanDerWaalsContact O-N 3.12Å; I762-V766 WeakPolarHBondContact O-CG2 3.3Å; I762-V766 PolarHBondContact O-N 2.82Å
763	L	91.1	Very high	87	Confident	83 Å²	83	59.6 Å²	59.6	44%	0.435	29%	0.29	S	S	.	.	H	α-helix	trans	-59.5	-46.6	177.5	-71.6	172.8	0	0	0	111.4	L673 L759 L760 T765 V766 Y767	L673-L763 HydrophobicContact CD1-CB 4.27Å; L673-L763 HydrophobicContact CD2-CB 4.34Å; L759-L763 WeakPolarHBondContact O-CB 3.39Å; L759-L763 VanDerWaalsContact O-CG 3.31Å; L759-L763 WeakPolarHBondContact O-CG 3.37Å; L759-L763 PolarHBondContact O-N 3.1Å; L760-L763 PolarHBondContact O-N 2.98Å; L763-T765 PolarHBondContact O-N 2.79Å; L763-V766 PolarHBondContact O-N 3.04Å; L763-Y767 VanDerWaalsContact O-CD2 3.27Å; L763-Y767 WeakPolarHBondContact O-CD2 3.36Å; L763-Y767 PolarHBondContact O-N 2.85Å
764	C	90.7	Very high	86.5	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-56.5	-40.7	175.1	-72.9	0	0	0	0	111.9	Y669 L673 L760 I761 I762 Y767 A768 M788	Y669-C764 PolarHBondContact O-SG 2.73Å; Y669-C764 VanDerWaalsContact O-SG 3.39Å; L673-C764 VanDerWaalsContact CB-SG 3.54Å; L760-C764 VanDerWaalsContact O-CB 3.31Å; L760-C764 WeakPolarHBondContact O-CB 3.23Å; L760-C764 PolarHBondContact O-N 2.8Å; L760-C764 PolarHBondContact O-SG 2.97Å; I761-C764 PolarHBondContact O-N 2.82Å; I762-C764 PolarHBondContact O-N 3.33Å; C764-Y767 PolarHBondContact O-N 2.91Å; C764-A768 VanDerWaalsContact O-CB 3.23Å; C764-A768 WeakPolarHBondContact O-CB 3.18Å; C764-A768 PolarHBondContact O-N 3.36Å; C764-M788 HydrophobicContact CB-CE 3.27Å; C764-M788 HydrophobicContact CB-CG 4.32Å; C764-M788 HydrophobicContact CB-SD 3.63Å
765	T	90.4	Very high	85.5	Confident	30 Å²	30	63 Å²	63	18%	0.184	31%	0.312	C	S	.	.	H	α-helix	trans	-68.3	-43.5	180	-56.6	0	0	0	0	111.5	I761 I762 L763 Y767 A768 F769 Y789 C792	I761-T765 WeakPolarHBondContact O-CB 3.36Å; I761-T765 PolarHBondContact O-N 3.38Å; I761-T765 PolarHBondContact O-OG1 3.06Å; I762-T765 WeakPolarHBondContact O-CB 3.3Å; I762-T765 PolarHBondContact O-N 3.11Å; I762-T765 VanDerWaalsContact O-N 3.12Å; L763-T765 PolarHBondContact O-N 2.79Å; T765-Y767 PolarHBondContact O-N 2.99Å; T765-A768 PolarHBondContact O-N 3.44Å; T765-F769 WeakPolarHBondContact O-CB 3.21Å; T765-F769 PolarHBondContact O-N 3.15Å; T765-Y789 HydrophobicContact CG2-CD1 4.36Å; T765-Y789 HydrophobicContact CG2-CE1 4.23Å; T765-C792 PolarHBondContact OG1-SG 2.81Å
766	V	89.9	Confident	84.1	Confident	86 Å²	86	67.7 Å²	67.7	52%	0.521	33%	0.328	S	S	.	.	H	α-helix	trans	-60.3	-45.9	175.5	171.2	0	0	0	0	110.7	I762 L763 F769 K770	I762-V766 WeakPolarHBondContact O-CG2 3.3Å; I762-V766 PolarHBondContact O-N 2.82Å; L763-V766 PolarHBondContact O-N 3.04Å; V766-F769 PolarHBondContact O-N 3.31Å; V766-K770 PolarHBondContact O-N 3.35Å
767	Y	86.9	Confident	82.4	Confident	73 Å²	73	73 Å²	73	29%	0.286	36%	0.359	S	S	.	.	H	α-helix	trans	-67	-41.1	177.1	-83.4	-75.2	0	0	0	112.3	L673 A680 L763 C764 T765 F769 K770 T771	L673-Y767 HydrophobicContact CD1-CD2 3.53Å; L673-Y767 HydrophobicContact CD1-CE2 4.14Å; L673-Y767 HydrophobicContact CD1-CG 4.25Å; A680-Y767 HydrophobicContact CB-CD1 4.11Å; L763-Y767 VanDerWaalsContact O-CD2 3.27Å; L763-Y767 WeakPolarHBondContact O-CD2 3.36Å; L763-Y767 PolarHBondContact O-N 2.85Å; C764-Y767 PolarHBondContact O-N 2.91Å; T765-Y767 PolarHBondContact O-N 2.99Å; Y767-F769 VanDerWaalsContact C-N 3.32Å; Y767-F769 PolarHBondContact O-N 3.11Å; Y767-K770 WeakPolarHBondContact O-CB 3.1Å; Y767-K770 PolarHBondContact O-N 3.34Å; Y767-K770 VanDerWaalsContact O-N 3.17Å; Y767-T771 WeakPolarHBondContact O-CG2 3.25Å; Y767-T771 PolarHBondContact O-N 2.65Å; Y767-T771 PolarHBondContact O-OG1 3.5Å
768	A	87.1	Confident	81.1	Confident	2 Å²	2	78.5 Å²	78.5	2%	0.017	38%	0.383	C	S	.	.	H	α-helix	trans	-58.9	-44	175.1	0	0	0	0	0	111.5	C764 T765 K770 T771 R772 M788	C764-A768 VanDerWaalsContact O-CB 3.23Å; C764-A768 WeakPolarHBondContact O-CB 3.18Å; C764-A768 PolarHBondContact O-N 3.36Å; T765-A768 PolarHBondContact O-N 3.44Å; A768-K770 PolarHBondContact O-N 3.36Å; A768-T771 WeakPolarHBondContact CA-OG1 3.43Å; A768-T771 PolarHBondContact O-N 3.11Å; A768-T771 PolarHBondContact O-OG1 3.28Å; A768-R772 PolarHBondContact O-N 3.23Å; A768-M788 HydrophobicContact CB-CB 4.42Å; A768-M788 HydrophobicContact CB-CG 4.21Å
769	F	86.3	Confident	80.1	Confident	99 Å²	99	81.3 Å²	81.3	43%	0.434	40%	0.395	S	S	.	.	H	α-helix	trans	-62.5	-41.8	174.7	-176.1	-96.2	0	0	0	112.2	T765 V766 Y767 T771 R772	T765-F769 WeakPolarHBondContact O-CB 3.21Å; T765-F769 PolarHBondContact O-N 3.15Å; V766-F769 PolarHBondContact O-N 3.31Å; Y767-F769 VanDerWaalsContact C-N 3.32Å; Y767-F769 PolarHBondContact O-N 3.11Å; F769-T771 PolarHBondContact O-N 3.34Å; F769-R772 WeakPolarHBondContact O-CB 3.41Å; F769-R772 WeakPolarHBondContact O-CD 3.18Å; F769-R772 WeakPolarHBondContact O-CG 3.41Å; F769-R772 PolarHBondContact O-N 2.95Å; F769-R772 VanDerWaalsContact O-N 3.16Å
770	K	83.9	Confident	79.5	Confident	157 Å²	157	78.8 Å²	78.8	68%	0.683	38%	0.381	S	S	*	.	H	α-helix	trans	-60.2	-34.6	176	-129.3	179.6	-178.5	177.7	0	111.9	V766 Y767 A768	V766-K770 PolarHBondContact O-N 3.35Å; Y767-K770 WeakPolarHBondContact O-CB 3.1Å; Y767-K770 PolarHBondContact O-N 3.34Å; Y767-K770 VanDerWaalsContact O-N 3.17Å; A768-K770 PolarHBondContact O-N 3.36Å
771	T	80.1	Confident	79	Confident	3 Å²	3	79.1 Å²	79.1	2%	0.018	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-84.2	1.4	178.9	56	0	0	0	0	114.9	I679 A680 Y767 A768 F769 K773 C774	I679-T771 HydrophobicContact CB-CG2 4.21Å; I679-T771 HydrophobicContact CG2-CG2 3.77Å; A680-T771 HydrophobicContact CB-CG2 3.84Å; Y767-T771 WeakPolarHBondContact O-CG2 3.25Å; Y767-T771 PolarHBondContact O-N 2.65Å; Y767-T771 PolarHBondContact O-OG1 3.5Å; A768-T771 WeakPolarHBondContact CA-OG1 3.43Å; A768-T771 PolarHBondContact O-N 3.11Å; A768-T771 PolarHBondContact O-OG1 3.28Å; F769-T771 PolarHBondContact O-N 3.34Å; T771-K773 VanDerWaalsContact C-N 3.27Å; T771-K773 PolarHBondContact O-N 2.88Å; T771-C774 WeakPolarHBondContact O-CB 3.46Å; T771-C774 PolarHBondContact O-N 3.48Å; T771-C774 PolarHBondContact O-SG 3.46Å
772	R	79.6	Confident	78.6	Confident	150 Å²	150	86.7 Å²	86.7	57%	0.566	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-66.8	-24.3	-178	80.5	-171.7	173.2	146.6	-1.6	114.6	A768 F769 C774	A768-R772 PolarHBondContact O-N 3.23Å; F769-R772 WeakPolarHBondContact O-CB 3.41Å; F769-R772 WeakPolarHBondContact O-CD 3.18Å; F769-R772 WeakPolarHBondContact O-CG 3.41Å; F769-R772 PolarHBondContact O-N 2.95Å; F769-R772 VanDerWaalsContact O-N 3.16Å; R772-C774 VanDerWaalsContact C-N 3.29Å
773	K	72.8	Confident	78.4	Confident	175 Å²	175	85.6 Å²	85.6	76%	0.761	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-88.8	10.2	-178.3	-63.2	-171.7	177.9	-174.1	0	113	T771	T771-K773 VanDerWaalsContact C-N 3.27Å; T771-K773 PolarHBondContact O-N 2.88Å
774	C	69.3	Low	78.2	Confident	25 Å²	25	81.7 Å²	81.7	17%	0.169	39%	0.388	C	S	.	.	S	Bend	trans	-67.9	138.7	176.3	-67.1	0	0	0	0	110.5	F683 T771 R772	F683-C774 HydrophobicContact CD2-CB 4.28Å; F683-C774 WeakPolarHBondContact CD2-SG 3.45Å; F683-C774 HydrophobicContact CE1-CB 4.39Å; F683-C774 HydrophobicContact CE2-CB 3.85Å; F683-C774 WeakPolarHBondContact CE2-SG 3.41Å; F683-C774 HydrophobicContact CZ-CB 3.91Å; T771-C774 WeakPolarHBondContact O-CB 3.46Å; T771-C774 PolarHBondContact O-N 3.48Å; T771-C774 PolarHBondContact O-SG 3.46Å; R772-C774 VanDerWaalsContact C-N 3.29Å
775	P	64.6	Low	78.1	Confident	74 Å²	74	82 Å²	82	48%	0.481	39%	0.391	S	S	.	.			trans	-61.1	148.3	-177.3	23.7	-32.9	0	0	0	112.3	F683 N777 F778	F683-P775 HydrophobicContact CE1-CG 4.04Å; P775-N777 PolarHBondContact O-N 3.46Å; P775-F778 PolarHBondContact O-N 3.41Å
776	E	57.1	Low	78	Confident	174 Å²	174	86.2 Å²	86.2	81%	0.813	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-18.3	-170	-67.6	-173.9	148	0	0	115.4	F778 N779	E776-F778 PolarHBondContact O-N 2.01Å; E776-F778 VanDerWaalsContact O-N 3.11Å; E776-N779 PolarHBondContact O-OD1 2.85Å
777	N	56.1	Low	78.1	Confident	150 Å²	150	82.1 Å²	82.1	80%	0.802	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-11.1	174.7	-65.7	-35.8	0	0	0	113.9	P775	P775-N777 PolarHBondContact O-N 3.46Å
778	F	62.3	Low	78.2	Confident	119 Å²	119	78.7 Å²	78.7	52%	0.522	37%	0.369	S	S	.	.			trans	-117.8	66.8	174	-79.3	-88	0	0	0	112.4	F683 P775 E776 E780 A781	F683-F778 AromaticContact CZ-CD2 3.98Å; F683-F778 HydrophobicContact CZ-CD2 3.98Å; F683-F778 HydrophobicContact CZ-CE2 4.44Å; F683-F778 HydrophobicContact CZ-CG 4.37Å; P775-F778 PolarHBondContact O-N 3.41Å; E776-F778 PolarHBondContact O-N 2.01Å; E776-F778 VanDerWaalsContact O-N 3.11Å; F778-E780 PolarHBondContact O-N 2.75Å; F778-A781 PolarHBondContact O-N 3.06Å
779	N	68.6	Low	78.4	Confident	104 Å²	104	83.4 Å²	83.4	56%	0.556	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-14.6	178.5	-74.4	-38.1	0	0	0	115.4	E776 A781 K782 F783	E776-N779 PolarHBondContact O-OD1 2.85Å; N779-A781 PolarHBondContact O-N 3.45Å; N779-K782 PolarHBondContact O-N 2.96Å; N779-F783 HydrophobicContact CB-CE2 4.39Å; N779-F783 WeakPolarHBondContact O-CD2 3.33Å
780	E	78.6	Confident	78.6	Confident	40 Å²	40	80.4 Å²	80.4	19%	0.187	38%	0.377	C	S	.	.	H	α-helix	trans	-64.4	-33.7	179.6	-172.7	166	-156.8	0	0	113.6	S623 K675 F778 K782 F783 I784 K835	S623-E780 PolarHBondContact OG-OE1 3.33Å; K675-E780 WeakPolarHBondContact CE-OE1 3.38Å; K675-E780 IonicContact NZ-OE1 2.93Å; K675-E780 PolarHBondContact NZ-OE1 3.32Å; F778-E780 PolarHBondContact O-N 2.75Å; E780-K782 VanDerWaalsContact C-N 3.33Å; E780-K782 PolarHBondContact O-N 2.99Å; E780-F783 PolarHBondContact O-N 3.47Å; E780-I784 HydrophobicContact CG-CD1 4.08Å; E780-I784 WeakPolarHBondContact O-CG1 3.35Å; E780-I784 PolarHBondContact O-N 3.22Å; E780-K835 IonicContact OE1-NZ 2.62Å; E780-K835 PolarHBondContact OE1-NZ 3.24Å
781	A	80.6	Confident	79	Confident	9 Å²	9	73 Å²	73	7%	0.074	34%	0.344	C	S	.	.	H	α-helix	trans	-67	-33.2	-179.5	0	0	0	0	0	112.8	F778 N779 I784 G785	F778-A781 PolarHBondContact O-N 3.06Å; N779-A781 PolarHBondContact O-N 3.45Å; A781-I784 PolarHBondContact O-N 3.43Å; A781-G785 PolarHBondContact O-N 2.96Å
782	K	83.2	Confident	79.5	Confident	167 Å²	167	74.2 Å²	74.2	73%	0.726	35%	0.353	S	S	*	.	H	α-helix	trans	-65.3	-45.2	177.6	-176.3	179.2	178	178.6	0	111.7	N779 E780 I784 G785 F786	N779-K782 PolarHBondContact O-N 2.96Å; E780-K782 VanDerWaalsContact C-N 3.33Å; E780-K782 PolarHBondContact O-N 2.99Å; K782-I784 VanDerWaalsContact C-N 3.35Å; K782-G785 PolarHBondContact O-N 3.11Å; K782-F786 PolarHBondContact O-N 3.23Å
783	F	87.2	Confident	80.1	Confident	78 Å²	78	72.7 Å²	72.7	34%	0.342	36%	0.355	S	S	.	.	H	α-helix	trans	-66.5	-36.1	177.6	-67	-63.4	0	0	0	112.4	N779 E780 F786 T787 C830 P834	N779-F783 HydrophobicContact CB-CE2 4.39Å; N779-F783 WeakPolarHBondContact O-CD2 3.33Å; E780-F783 PolarHBondContact O-N 3.47Å; F783-F786 PolarHBondContact O-N 3.11Å; F783-T787 WeakPolarHBondContact O-CB 3.39Å; F783-T787 PolarHBondContact O-N 3.24Å; F783-T787 PolarHBondContact O-OG1 3.25Å; F783-C830 WeakPolarHBondContact CB-O 3.45Å; F783-C830 WeakPolarHBondContact CD1-O 3.31Å; F783-P834 HydrophobicContact CD1-CG 3.76Å; F783-P834 HydrophobicContact CD2-CB 4.47Å; F783-P834 HydrophobicContact CD2-CG 4.37Å; F783-P834 HydrophobicContact CE1-CB 4.16Å; F783-P834 HydrophobicContact CE1-CG 3.54Å; F783-P834 HydrophobicContact CE2-CB 4.02Å; F783-P834 HydrophobicContact CE2-CG 4.18Å; F783-P834 HydrophobicContact CG-CG 4.19Å; F783-P834 HydrophobicContact CZ-CB 3.85Å; F783-P834 HydrophobicContact CZ-CG 3.77Å
784	I	87.8	Confident	81	Confident	1 Å²	1	65.4 Å²	65.4	1%	0.005	32%	0.324	C	S	.	.	H	α-helix	trans	-65.2	-43	172.8	-62.4	164.2	0	0	0	110.8	K675 T676 I679 E780 A781 K782 F786 T787 M788 L831	K675-I784 HydrophobicContact CG-CD1 4.46Å; T676-I784 HydrophobicContact CG2-CB 4.39Å; T676-I784 HydrophobicContact CG2-CD1 4.33Å; T676-I784 HydrophobicContact CG2-CG2 3.32Å; I679-I784 HydrophobicContact CD1-CD1 3.87Å; E780-I784 HydrophobicContact CG-CD1 4.08Å; E780-I784 WeakPolarHBondContact O-CG1 3.35Å; E780-I784 PolarHBondContact O-N 3.22Å; A781-I784 PolarHBondContact O-N 3.43Å; K782-I784 VanDerWaalsContact C-N 3.35Å; I784-F786 PolarHBondContact O-N 2.95Å; I784-T787 WeakPolarHBondContact O-CB 3.04Å; I784-T787 PolarHBondContact O-N 2.76Å; I784-M788 HydrophobicContact CG2-CG 4.44Å; I784-M788 WeakPolarHBondContact O-CG 3.49Å; I784-M788 PolarHBondContact O-N 3.37Å; I784-L831 HydrophobicContact CG1-CD1 3.86Å
785	G	87.4	Confident	81.9	Confident	6 Å²	6	65 Å²	65	6%	0.062	32%	0.319	C	S	.	.	H	α-helix	trans	-56.9	-48.7	173.8	0	0	0	0	0	112.7	A781 K782 T787 M788 Y789	A781-G785 PolarHBondContact O-N 2.96Å; K782-G785 PolarHBondContact O-N 3.11Å; G785-T787 PolarHBondContact O-N 2.92Å; G785-M788 PolarHBondContact O-N 3.45Å; G785-Y789 WeakPolarHBondContact O-CD2 3.32Å; G785-Y789 VanDerWaalsContact O-CG 3.23Å; G785-Y789 PolarHBondContact O-N 3.01Å
786	F	88.9	Confident	83.1	Confident	119 Å²	119	68 Å²	68	52%	0.522	33%	0.33	S	S	.	.	H	α-helix	trans	-60.4	-43.3	176.9	-173.1	-109	0	0	0	112.3	K782 F783 I784 M788 Y789 T790 C830	K782-F786 PolarHBondContact O-N 3.23Å; F783-F786 PolarHBondContact O-N 3.11Å; I784-F786 PolarHBondContact O-N 2.95Å; F786-M788 VanDerWaalsContact C-N 3.33Å; F786-M788 PolarHBondContact O-N 3.49Å; F786-Y789 PolarHBondContact O-N 2.99Å; F786-T790 PolarHBondContact O-N 3.27Å; F786-T790 PolarHBondContact O-OG1 2.99Å; F786-C830 HydrophobicContact CD1-CB 3.81Å; F786-C830 WeakPolarHBondContact CD1-SG 3.19Å; F786-C830 HydrophobicContact CE1-CB 4.37Å; F786-C830 WeakPolarHBondContact CE1-SG 3.15Å
787	T	90.9	Very high	84.7	Confident	0 Å²	0	62 Å²	62	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-57.7	-45.1	175.8	-53	0	0	0	0	111.3	F783 I784 G785 T791 V826 V827 C830	F783-T787 WeakPolarHBondContact O-CB 3.39Å; F783-T787 PolarHBondContact O-N 3.24Å; F783-T787 PolarHBondContact O-OG1 3.25Å; I784-T787 WeakPolarHBondContact O-CB 3.04Å; I784-T787 PolarHBondContact O-N 2.76Å; G785-T787 PolarHBondContact O-N 2.92Å; T787-T791 VanDerWaalsContact O-CB 3.28Å; T787-T791 WeakPolarHBondContact O-CB 3.2Å; T787-T791 PolarHBondContact O-N 3.24Å; T787-T791 VanDerWaalsContact O-N 3.09Å; T787-T791 PolarHBondContact O-OG1 2.92Å; T787-V826 HydrophobicContact CG2-CG1 4.1Å; T787-V827 HydrophobicContact CG2-CG2 4.04Å; T787-C830 WeakPolarHBondContact OG1-CB 3.28Å
788	M	90.6	Very high	86.3	Confident	1 Å²	1	55 Å²	55	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-69.7	-42.4	-179.7	-69.3	-51.3	-47.6	0	0	112.8	Y669 L672 I761 C764 A768 I784 G785 F786 T791 C792	Y669-M788 HydrophobicContact CD1-CE 4.43Å; Y669-M788 HydrophobicContact CD1-SD 4.43Å; L672-M788 HydrophobicContact CD1-SD 4.3Å; I761-M788 HydrophobicContact CG2-CE 4.02Å; I761-M788 WeakPolarHBondContact O-CE 3.26Å; C764-M788 HydrophobicContact CB-CE 3.27Å; C764-M788 HydrophobicContact CB-CG 4.32Å; C764-M788 HydrophobicContact CB-SD 3.63Å; A768-M788 HydrophobicContact CB-CB 4.42Å; A768-M788 HydrophobicContact CB-CG 4.21Å; I784-M788 HydrophobicContact CG2-CG 4.44Å; I784-M788 WeakPolarHBondContact O-CG 3.49Å; I784-M788 PolarHBondContact O-N 3.37Å; G785-M788 PolarHBondContact O-N 3.45Å; F786-M788 VanDerWaalsContact C-N 3.33Å; F786-M788 PolarHBondContact O-N 3.49Å; M788-T791 WeakPolarHBondContact O-CB 3.36Å; M788-T791 PolarHBondContact O-N 3.03Å; M788-C792 PolarHBondContact O-N 3.25Å; M788-C792 PolarHBondContact O-SG 3.33Å
789	Y	90.6	Very high	87.4	Confident	101 Å²	101	51.3 Å²	51.3	40%	0.396	26%	0.257	S	S	.	.	H	α-helix	trans	-64	-45.5	178.9	-60.4	-37.4	0	0	0	112.3	T765 G785 F786 T791 C792 I793	T765-Y789 HydrophobicContact CG2-CD1 4.36Å; T765-Y789 HydrophobicContact CG2-CE1 4.23Å; G785-Y789 WeakPolarHBondContact O-CD2 3.32Å; G785-Y789 VanDerWaalsContact O-CG 3.23Å; G785-Y789 PolarHBondContact O-N 3.01Å; F786-Y789 PolarHBondContact O-N 2.99Å; Y789-T791 VanDerWaalsContact C-N 3.3Å; Y789-T791 PolarHBondContact O-N 3.16Å; Y789-C792 PolarHBondContact O-N 3.29Å; Y789-I793 WeakPolarHBondContact O-CG1 3.44Å; Y789-I793 PolarHBondContact O-N 2.91Å
790	T	91.5	Very high	88.3	Confident	36 Å²	36	49.9 Å²	49.9	22%	0.221	25%	0.253	C	S	.	.	H	α-helix	trans	-63.6	-38.9	176.8	-54.4	0	0	0	0	111.4	F786 C792 I793 I794 V826	F786-T790 PolarHBondContact O-N 3.27Å; F786-T790 PolarHBondContact O-OG1 2.99Å; T790-C792 PolarHBondContact O-N 3.14Å; T790-I793 PolarHBondContact O-N 3.18Å; T790-I794 HydrophobicContact CG2-CD1 4.2Å; T790-I794 WeakPolarHBondContact O-CG1 3.37Å; T790-I794 PolarHBondContact O-N 3.36Å; T790-I794 VanDerWaalsContact O-N 3.13Å; T790-V826 HydrophobicContact CG2-CG1 4.03Å; T790-V826 HydrophobicContact CG2-CG2 3.77Å
791	T	90.5	Very high	88.9	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-59.8	-45.9	174.5	-65.3	0	0	0	0	111.8	Y669 I761 T787 M788 Y789 I793 I794 W795	Y669-T791 HydrophobicContact CE1-CG2 3.78Å; Y669-T791 WeakPolarHBondContact OH-CG2 3.41Å; I761-T791 HydrophobicContact CD1-CG2 4.38Å; I761-T791 HydrophobicContact CG1-CG2 4.49Å; I761-T791 HydrophobicContact CG2-CG2 4.41Å; T787-T791 VanDerWaalsContact O-CB 3.28Å; T787-T791 WeakPolarHBondContact O-CB 3.2Å; T787-T791 PolarHBondContact O-N 3.24Å; T787-T791 VanDerWaalsContact O-N 3.09Å; T787-T791 PolarHBondContact O-OG1 2.92Å; M788-T791 WeakPolarHBondContact O-CB 3.36Å; M788-T791 PolarHBondContact O-N 3.03Å; Y789-T791 VanDerWaalsContact C-N 3.3Å; Y789-T791 PolarHBondContact O-N 3.16Å; T791-I793 VanDerWaalsContact C-N 3.3Å; T791-I793 PolarHBondContact O-N 2.89Å; T791-I794 PolarHBondContact O-N 3.35Å; T791-W795 VanDerWaalsContact O-CD1 3.28Å; T791-W795 PolarHBondContact O-N 3.13Å
792	C	90.8	Very high	89.1	Confident	30 Å²	30	51.6 Å²	51.6	20%	0.203	26%	0.261	C	S	.	.	H	α-helix	trans	-59.7	-40.9	178.4	-70.7	0	0	0	0	112.1	I761 T765 M788 Y789 T790 W795 L796	I761-C792 VanDerWaalsContact CG2-SG 3.57Å; T765-C792 PolarHBondContact OG1-SG 2.81Å; M788-C792 PolarHBondContact O-N 3.25Å; M788-C792 PolarHBondContact O-SG 3.33Å; Y789-C792 PolarHBondContact O-N 3.29Å; T790-C792 PolarHBondContact O-N 3.14Å; C792-W795 PolarHBondContact O-N 3.03Å; C792-L796 WeakPolarHBondContact O-CB 3.41Å; C792-L796 VanDerWaalsContact O-CG 3.23Å; C792-L796 WeakPolarHBondContact O-CG 3.25Å; C792-L796 PolarHBondContact O-N 2.95Å
793	I	92.6	Very high	89.2	Confident	118 Å²	118	49.1 Å²	49.1	61%	0.605	25%	0.248	S	C	*	.	H	α-helix	trans	-62.8	-46.8	177.5	-65.1	168.8	0	0	0	110.8	Y789 T790 T791 W795 L796 A797	Y789-I793 WeakPolarHBondContact O-CG1 3.44Å; Y789-I793 PolarHBondContact O-N 2.91Å; T790-I793 PolarHBondContact O-N 3.18Å; T791-I793 VanDerWaalsContact C-N 3.3Å; T791-I793 PolarHBondContact O-N 2.89Å; I793-W795 VanDerWaalsContact C-N 3.34Å; I793-W795 PolarHBondContact O-N 3.09Å; I793-L796 PolarHBondContact O-N 3.29Å; I793-A797 WeakPolarHBondContact O-CB 3.43Å; I793-A797 PolarHBondContact O-N 3.19Å
794	I	91.6	Very high	89.2	Confident	22 Å²	22	51 Å²	51	11%	0.113	27%	0.266	C	S	.	.	H	α-helix	trans	-59.2	-46	179.3	-67.7	164.3	0	0	0	110.9	T790 T791 A797 F798 L822 V826	T790-I794 HydrophobicContact CG2-CD1 4.2Å; T790-I794 WeakPolarHBondContact O-CG1 3.37Å; T790-I794 PolarHBondContact O-N 3.36Å; T790-I794 VanDerWaalsContact O-N 3.13Å; T791-I794 PolarHBondContact O-N 3.35Å; I794-A797 PolarHBondContact O-N 3.38Å; I794-F798 WeakPolarHBondContact O-CB 3.11Å; I794-F798 PolarHBondContact O-N 3.43Å; I794-L822 HydrophobicContact CD1-CD2 3.67Å; I794-L822 HydrophobicContact CD1-CG 3.76Å; I794-L822 HydrophobicContact CG1-CD2 3.81Å; I794-L822 HydrophobicContact CG1-CG 4.45Å; I794-L822 HydrophobicContact CG2-CD2 4.2Å; I794-V826 HydrophobicContact CD1-CG2 3.57Å
795	W	88.4	Confident	89.1	Confident	17 Å²	17	52 Å²	52	6%	0.064	27%	0.272	C	S	.	.	H	α-helix	trans	-71.2	-37.2	-178.5	-81.5	105.5	0	0	0	113.3	F665 Y669 L754 I761 T791 C792 I793 A797 F798 Q799	F665-W795 AromaticContact CD1-CZ2 3.85Å; F665-W795 HydrophobicContact CD1-CZ2 3.85Å; F665-W795 AromaticContact CD2-CH2 3.89Å; F665-W795 HydrophobicContact CD2-CH2 3.89Å; F665-W795 AromaticContact CD2-CZ2 3.71Å; F665-W795 HydrophobicContact CD2-CZ2 3.71Å; F665-W795 HydrophobicContact CE1-CH2 4.36Å; F665-W795 AromaticContact CE1-CZ2 3.52Å; F665-W795 HydrophobicContact CE1-CZ2 3.52Å; F665-W795 AromaticContact CE2-CH2 3.4Å; F665-W795 HydrophobicContact CE2-CH2 3.4Å; F665-W795 AromaticContact CE2-CZ2 3.38Å; F665-W795 HydrophobicContact CE2-CZ2 3.38Å; F665-W795 AromaticContact CG-CZ2 3.95Å; F665-W795 HydrophobicContact CG-CZ2 3.95Å; F665-W795 AromaticContact CZ-CH2 3.67Å; F665-W795 HydrophobicContact CZ-CH2 3.67Å; F665-W795 AromaticContact CZ-CZ2 3.26Å; F665-W795 HydrophobicContact CZ-CZ2 3.26Å; Y669-W795 PolarHBondContact OH-NE1 2.86Å; L754-W795 HydrophobicContact CD1-CH2 4.17Å; L754-W795 HydrophobicContact CD1-CZ3 3.9Å; L754-W795 HydrophobicContact CD2-CH2 4.38Å; I761-W795 HydrophobicContact CD1-CD2 4.41Å; I761-W795 HydrophobicContact CD1-CG 4.06Å; T791-W795 VanDerWaalsContact O-CD1 3.28Å; T791-W795 PolarHBondContact O-N 3.13Å; C792-W795 PolarHBondContact O-N 3.03Å; I793-W795 VanDerWaalsContact C-N 3.34Å; I793-W795 PolarHBondContact O-N 3.09Å; W795-A797 VanDerWaalsContact C-N 3.3Å; W795-A797 PolarHBondContact O-N 3.33Å; W795-F798 AromaticContact CE3-CD1 3.74Å; W795-F798 HydrophobicContact CE3-CD1 3.74Å; W795-F798 HydrophobicContact CE3-CE1 4.43Å; W795-F798 HydrophobicContact CE3-CG 4.48Å; W795-F798 AromaticContact CZ3-CD1 3.66Å; W795-F798 HydrophobicContact CZ3-CD1 3.66Å; W795-F798 AromaticContact CZ3-CE1 3.91Å; W795-F798 HydrophobicContact CZ3-CE1 3.91Å; W795-F798 PolarHBondContact O-N 3.24Å; W795-Q799 WeakPolarHBondContact O-CG 3.36Å; W795-Q799 PolarHBondContact O-N 3.12Å
796	L	89.1	Confident	88.7	Confident	135 Å²	135	53.2 Å²	53.2	71%	0.707	28%	0.281	S	S	*	.	H	α-helix	trans	-64.6	-35.4	174.1	-73.7	172.5	0	0	0	112	C792 I793 P800	C792-L796 WeakPolarHBondContact O-CB 3.41Å; C792-L796 VanDerWaalsContact O-CG 3.23Å; C792-L796 WeakPolarHBondContact O-CG 3.25Å; C792-L796 PolarHBondContact O-N 2.95Å; I793-L796 PolarHBondContact O-N 3.29Å; L796-P800 WeakPolarHBondContact O-CD 3.47Å
797	A	90.9	Very high	88.1	Confident	48 Å²	48	53.1 Å²	53.1	40%	0.397	30%	0.295	S	S	.	.	H	α-helix	trans	-75.9	-36.7	176	0	0	0	0	0	113	I793 I794 W795 Q799 P800 I801	I793-A797 WeakPolarHBondContact O-CB 3.43Å; I793-A797 PolarHBondContact O-N 3.19Å; I794-A797 PolarHBondContact O-N 3.38Å; W795-A797 VanDerWaalsContact C-N 3.3Å; W795-A797 PolarHBondContact O-N 3.33Å; A797-Q799 PolarHBondContact O-N 3.48Å; A797-P800 VanDerWaalsContact O-CD 3.27Å; A797-P800 WeakPolarHBondContact O-CD 3.26Å; A797-P800 WeakPolarHBondContact O-CG 3.26Å; A797-I801 VanDerWaalsContact O-CD1 3.3Å; A797-I801 WeakPolarHBondContact O-CD1 3.46Å; A797-I801 VanDerWaalsContact O-CG1 3.25Å; A797-I801 WeakPolarHBondContact O-CG1 3.4Å
798	F	89.3	Confident	87.8	Confident	5 Å²	5	56.1 Å²	56.1	2%	0.022	31%	0.312	C	S	.	.	H	α-helix	trans	-61.7	-42.8	-178.5	166.1	-103.3	0	0	0	112.9	I794 W795 I801 F802 T815 M816 S819	I794-F798 WeakPolarHBondContact O-CB 3.11Å; I794-F798 PolarHBondContact O-N 3.43Å; W795-F798 AromaticContact CE3-CD1 3.74Å; W795-F798 HydrophobicContact CE3-CD1 3.74Å; W795-F798 HydrophobicContact CE3-CE1 4.43Å; W795-F798 HydrophobicContact CE3-CG 4.48Å; W795-F798 AromaticContact CZ3-CD1 3.66Å; W795-F798 HydrophobicContact CZ3-CD1 3.66Å; W795-F798 AromaticContact CZ3-CE1 3.91Å; W795-F798 HydrophobicContact CZ3-CE1 3.91Å; W795-F798 PolarHBondContact O-N 3.24Å; F798-I801 PolarHBondContact O-N 2.87Å; F798-F802 HydrophobicContact CE1-CB 4.32Å; F798-F802 HydrophobicContact CE2-CB 3.96Å; F798-F802 HydrophobicContact CE2-CD2 4.04Å; F798-F802 HydrophobicContact CE2-CG 4.32Å; F798-F802 HydrophobicContact CZ-CB 3.8Å; F798-F802 AromaticContact CZ-CD2 3.74Å; F798-F802 HydrophobicContact CZ-CD2 3.74Å; F798-F802 AromaticContact CZ-CG 3.87Å; F798-F802 HydrophobicContact CZ-CG 3.87Å; F798-F802 WeakPolarHBondContact O-CB 3.26Å; F798-F802 PolarHBondContact O-N 3.21Å; F798-T815 HydrophobicContact CD2-CG2 4.42Å; F798-M816 HydrophobicContact CE1-CE 4.27Å; F798-M816 HydrophobicContact CE1-SD 4.28Å; F798-M816 HydrophobicContact CE2-CB 4.45Å; F798-M816 HydrophobicContact CE2-CE 4.22Å; F798-M816 HydrophobicContact CE2-SD 3.85Å; F798-M816 HydrophobicContact CZ-CE 3.43Å; F798-M816 VanDerWaalsContact CZ-CE 3.43Å; F798-M816 HydrophobicContact CZ-SD 3.43Å; F798-M816 WeakPolarHBondContact CZ-SD 3.37Å; F798-S819 VanDerWaalsContact CD2-OG 3.3Å; F798-S819 WeakPolarHBondContact CD2-OG 3.44Å
799	Q	85.6	Confident	87.4	Confident	41 Å²	41	57.6 Å²	57.6	19%	0.192	32%	0.317	C	S	.	.	H	α-helix	trans	-52.9	-55.3	-176.3	-69.7	-64.6	-22.2	0	0	114.3	L751 W795 A797 F802 Y803	L751-Q799 VanDerWaalsContact CD1-CD 3.41Å; W795-Q799 WeakPolarHBondContact O-CG 3.36Å; W795-Q799 PolarHBondContact O-N 3.12Å; A797-Q799 PolarHBondContact O-N 3.48Å; Q799-F802 PolarHBondContact O-N 2.74Å; Q799-Y803 WeakPolarHBondContact O-CD2 3.45Å
800	P	88.6	Confident	87.3	Confident	73 Å²	73	56.2 Å²	56.2	47%	0.474	31%	0.311	S	S	.	.	H	α-helix	trans	-66.7	-37.1	177.8	24.9	-34.1	0	0	0	112.9	L796 A797 F802 Y803 V804	L796-P800 WeakPolarHBondContact O-CD 3.47Å; A797-P800 VanDerWaalsContact O-CD 3.27Å; A797-P800 WeakPolarHBondContact O-CD 3.26Å; A797-P800 WeakPolarHBondContact O-CG 3.26Å; P800-F802 VanDerWaalsContact C-N 3.3Å; P800-F802 PolarHBondContact O-N 3.05Å; P800-Y803 PolarHBondContact O-N 3.2Å; P800-V804 WeakPolarHBondContact O-CG2 3.45Å; P800-V804 PolarHBondContact O-N 3Å; P800-V804 VanDerWaalsContact O-N 3.12Å
801	I	89.9	Confident	87.2	Confident	79 Å²	79	56.3 Å²	56.3	41%	0.405	31%	0.312	S	S	.	.	H	α-helix	trans	-63.8	-39.7	-180	-59.8	168.6	0	0	0	110.5	A797 F798 Y803 V804 T805 T815	A797-I801 VanDerWaalsContact O-CD1 3.3Å; A797-I801 WeakPolarHBondContact O-CD1 3.46Å; A797-I801 VanDerWaalsContact O-CG1 3.25Å; A797-I801 WeakPolarHBondContact O-CG1 3.4Å; F798-I801 PolarHBondContact O-N 2.87Å; I801-Y803 VanDerWaalsContact C-N 3.33Å; I801-Y803 PolarHBondContact O-N 3.15Å; I801-V804 PolarHBondContact O-N 3.31Å; I801-T805 HydrophobicContact CG2-CG2 4.27Å; I801-T805 WeakPolarHBondContact O-CB 3.45Å; I801-T805 WeakPolarHBondContact O-CG2 3.44Å; I801-T805 PolarHBondContact O-N 3.07Å; I801-T805 VanDerWaalsContact O-N 3.11Å; I801-T805 PolarHBondContact O-OG1 3.44Å; I801-T815 HydrophobicContact CB-CG2 4.41Å; I801-T815 HydrophobicContact CG2-CG2 3.62Å
802	F	86	Confident	87.1	Confident	6 Å²	6	57.1 Å²	57.1	3%	0.026	32%	0.315	C	S	.	.	H	α-helix	trans	-62	-38	179.4	-177.9	-96.2	0	0	0	113.1	M750 F798 Q799 P800 T805 Q812 M816	M750-F802 HydrophobicContact CE-CD2 4.34Å; M750-F802 HydrophobicContact CE-CE1 3.92Å; M750-F802 HydrophobicContact CE-CE2 3.21Å; M750-F802 HydrophobicContact CE-CZ 2.97Å; F798-F802 HydrophobicContact CE1-CB 4.32Å; F798-F802 HydrophobicContact CE2-CB 3.96Å; F798-F802 HydrophobicContact CE2-CD2 4.04Å; F798-F802 HydrophobicContact CE2-CG 4.32Å; F798-F802 HydrophobicContact CZ-CB 3.8Å; F798-F802 AromaticContact CZ-CD2 3.74Å; F798-F802 HydrophobicContact CZ-CD2 3.74Å; F798-F802 AromaticContact CZ-CG 3.87Å; F798-F802 HydrophobicContact CZ-CG 3.87Å; F798-F802 WeakPolarHBondContact O-CB 3.26Å; F798-F802 PolarHBondContact O-N 3.21Å; Q799-F802 PolarHBondContact O-N 2.74Å; P800-F802 VanDerWaalsContact C-N 3.3Å; P800-F802 PolarHBondContact O-N 3.05Å; F802-T805 PolarHBondContact O-OG1 3.23Å; F802-Q812 HydrophobicContact CD2-CG 3.9Å; F802-Q812 HydrophobicContact CE2-CG 3.41Å; F802-Q812 VanDerWaalsContact CE2-CG 3.41Å; F802-Q812 HydrophobicContact CZ-CG 3.93Å; F802-M816 HydrophobicContact CD2-CE 3.99Å; F802-M816 HydrophobicContact CE2-CE 3.8Å
803	Y	84.6	Confident	87	Confident	115 Å²	115	56.7 Å²	56.7	45%	0.451	31%	0.312	S	S	.	.	H	α-helix	trans	-74.4	-43	177	-84.5	-70.9	0	0	0	113	L751 Q799 P800 I801 T805 A806	L751-Y803 HydrophobicContact CD2-CE2 3.66Å; L751-Y803 WeakPolarHBondContact CD2-OH 3.23Å; Q799-Y803 WeakPolarHBondContact O-CD2 3.45Å; P800-Y803 PolarHBondContact O-N 3.2Å; I801-Y803 VanDerWaalsContact C-N 3.33Å; I801-Y803 PolarHBondContact O-N 3.15Å; Y803-T805 PolarHBondContact O-N 3.14Å; Y803-A806 VanDerWaalsContact O-CB 3.3Å; Y803-A806 WeakPolarHBondContact O-CB 3.35Å; Y803-A806 PolarHBondContact O-N 3.45Å
804	V	86.6	Confident	86.9	Confident	119 Å²	119	51.8 Å²	51.8	72%	0.721	29%	0.288	S	S	*	.	H	α-helix	trans	-62.8	-32.7	-179.4	171.2	0	0	0	0	111.3	P800 I801 A806	P800-V804 WeakPolarHBondContact O-CG2 3.45Å; P800-V804 PolarHBondContact O-N 3Å; P800-V804 VanDerWaalsContact O-N 3.12Å; I801-V804 PolarHBondContact O-N 3.31Å; V804-A806 VanDerWaalsContact C-N 3.35Å
805	T	86.3	Confident	86.8	Confident	22 Å²	22	52 Å²	52	14%	0.135	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-88.6	4.8	-178.3	55.1	0	0	0	0	114.1	I801 F802 Y803 S807 D808 V811	I801-T805 HydrophobicContact CG2-CG2 4.27Å; I801-T805 WeakPolarHBondContact O-CB 3.45Å; I801-T805 WeakPolarHBondContact O-CG2 3.44Å; I801-T805 PolarHBondContact O-N 3.07Å; I801-T805 VanDerWaalsContact O-N 3.11Å; I801-T805 PolarHBondContact O-OG1 3.44Å; F802-T805 PolarHBondContact O-OG1 3.23Å; Y803-T805 PolarHBondContact O-N 3.14Å; T805-S807 PolarHBondContact O-N 2.99Å; T805-S807 VanDerWaalsContact O-N 3.12Å; T805-D808 PolarHBondContact O-N 3.48Å; T805-D808 VanDerWaalsContact O-N 3.16Å; T805-D808 VanDerWaalsContact O-O 3.1Å; T805-V811 HydrophobicContact CG2-CG1 3.6Å
806	A	79.6	Confident	86.9	Confident	30 Å²	30	51.3 Å²	51.3	25%	0.248	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-64.2	-17.6	-176.2	0	0	0	0	0	114.7	Y803 V804 D808	Y803-A806 VanDerWaalsContact O-CB 3.3Å; Y803-A806 WeakPolarHBondContact O-CB 3.35Å; Y803-A806 PolarHBondContact O-N 3.45Å; V804-A806 VanDerWaalsContact C-N 3.35Å; A806-D808 VanDerWaalsContact C-N 3.35Å
807	S	76.6	Confident	87	Confident	117 Å²	117	45 Å²	45	82%	0.818	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-70.8	-28.1	175.9	54.2	0	0	0	0	113.4	T805	T805-S807 PolarHBondContact O-N 2.99Å; T805-S807 VanDerWaalsContact O-N 3.12Å
808	D	83.6	Confident	87.1	Confident	64 Å²	64	46 Å²	46	34%	0.342	25%	0.252	S	S	.	.			trans	-120.7	108.3	179.2	-170.3	-27.1	0	0	0	110.6	T805 A806 R810 V811 Q812	T805-D808 PolarHBondContact O-N 3.48Å; T805-D808 VanDerWaalsContact O-N 3.16Å; T805-D808 VanDerWaalsContact O-O 3.1Å; A806-D808 VanDerWaalsContact C-N 3.35Å; D808-R810 PolarHBondContact O-N 2.92Å; D808-R810 VanDerWaalsContact OD1-CB 3.28Å; D808-R810 WeakPolarHBondContact OD1-CB 3.42Å; D808-R810 PolarHBondContact OD1-N 3.02Å; D808-V811 HydrophobicContact CB-CB 4.26Å; D808-V811 HydrophobicContact CB-CG2 4.03Å; D808-V811 PolarHBondContact O-N 2.81Å; D808-Q812 WeakPolarHBondContact O-CB 3.15Å; D808-Q812 PolarHBondContact O-N 2.75Å
809	Y	83.6	Confident	87.2	Confident	31 Å²	31	46.6 Å²	46.6	12%	0.122	26%	0.258	C	S	.	.	H	α-helix	trans	-60.7	-28.3	-178.6	77.5	-84.3	0	0	0	113.2	I583 T740 T813	I583-Y809 HydrophobicContact CD1-CD2 4.49Å; I583-Y809 HydrophobicContact CD1-CE2 4.5Å; I583-Y809 HydrophobicContact CG1-CD2 4.14Å; I583-Y809 HydrophobicContact CG1-CE2 3.69Å; T740-Y809 HydrophobicContact CG2-CE1 4.25Å; Y809-T813 VanDerWaalsContact O-CB 3.29Å; Y809-T813 WeakPolarHBondContact O-CB 3.1Å; Y809-T813 PolarHBondContact O-N 2.85Å; Y809-T813 VanDerWaalsContact O-N 3.12Å; Y809-T813 PolarHBondContact O-OG1 2.62Å
810	R	88.4	Confident	87.5	Confident	73 Å²	73	44.8 Å²	44.8	28%	0.275	25%	0.249	S	C	.	.	H	α-helix	trans	-70.1	-48.4	179.9	-56.5	-179.7	-178.5	179.7	1.8	109.6	E581 I583 W589 D808 T814	E581-R810 IonicContact OE2-NH2 3.88Å; E581-R810 PolarHBondContact OE2-NH2 3.2Å; I583-R810 HydrophobicContact CG1-CG 4.38Å; W589-R810 HydrophobicContact CD2-CB 4.48Å; W589-R810 HydrophobicContact CG-CB 4.23Å; D808-R810 PolarHBondContact O-N 2.92Å; D808-R810 VanDerWaalsContact OD1-CB 3.28Å; D808-R810 WeakPolarHBondContact OD1-CB 3.42Å; D808-R810 PolarHBondContact OD1-N 3.02Å; R810-T814 WeakPolarHBondContact O-CB 3.39Å; R810-T814 PolarHBondContact O-N 3.32Å; R810-T814 VanDerWaalsContact O-N 3.14Å; R810-T814 PolarHBondContact O-OG1 3.5Å
811	V	88.8	Confident	87.7	Confident	38 Å²	38	41.3 Å²	41.3	23%	0.23	23%	0.227	C	C	.	.	H	α-helix	trans	-66.1	-49.4	178.6	-176.4	0	0	0	0	110.3	W589 T805 D808 T813 T814 T815	W589-V811 HydrophobicContact CH2-CG2 4.01Å; W589-V811 HydrophobicContact CZ3-CG2 4.06Å; T805-V811 HydrophobicContact CG2-CG1 3.6Å; D808-V811 HydrophobicContact CB-CB 4.26Å; D808-V811 HydrophobicContact CB-CG2 4.03Å; D808-V811 PolarHBondContact O-N 2.81Å; V811-T813 PolarHBondContact O-N 2.74Å; V811-T814 PolarHBondContact O-N 3.3Å; V811-T815 PolarHBondContact O-N 3.46Å; V811-T815 PolarHBondContact O-OG1 3.45Å; V811-T815 VanDerWaalsContact O-OG1 3.11Å
812	Q	88	Confident	87.9	Confident	16 Å²	16	41.5 Å²	41.5	8%	0.075	23%	0.228	C	C	.	.	H	α-helix	trans	-55.2	-47.5	-179.6	-169.8	-172.5	38.7	0	0	112.7	F802 D808 M816	F802-Q812 HydrophobicContact CD2-CG 3.9Å; F802-Q812 HydrophobicContact CE2-CG 3.41Å; F802-Q812 VanDerWaalsContact CE2-CG 3.41Å; F802-Q812 HydrophobicContact CZ-CG 3.93Å; D808-Q812 WeakPolarHBondContact O-CB 3.15Å; D808-Q812 PolarHBondContact O-N 2.75Å; Q812-M816 PolarHBondContact O-N 3.2Å
813	T	88.4	Confident	88.1	Confident	21 Å²	21	41.4 Å²	41.4	13%	0.129	23%	0.228	C	C	.	.	H	α-helix	trans	-67.3	-41.2	-179.9	-57.2	0	0	0	0	111.4	I583 Y645 Y809 V811 M816 C817	I583-T813 HydrophobicContact CD1-CG2 3.99Å; Y645-T813 HydrophobicContact CD1-CG2 4.36Å; Y809-T813 VanDerWaalsContact O-CB 3.29Å; Y809-T813 WeakPolarHBondContact O-CB 3.1Å; Y809-T813 PolarHBondContact O-N 2.85Å; Y809-T813 VanDerWaalsContact O-N 3.12Å; Y809-T813 PolarHBondContact O-OG1 2.62Å; V811-T813 PolarHBondContact O-N 2.74Å; T813-M816 PolarHBondContact O-N 3.24Å; T813-C817 PolarHBondContact O-N 3.42Å; T813-C817 VanDerWaalsContact O-N 3.08Å; T813-C817 PolarHBondContact O-SG 3.45Å; T813-C817 VanDerWaalsContact O-SG 3.36Å
814	T	90.6	Very high	88.5	Confident	15 Å²	15	36 Å²	36	9%	0.092	21%	0.207	C	C	.	.	H	α-helix	trans	-62.2	-47.2	178.9	-58.1	0	0	0	0	111.2	W589 P593 R810 V811 M816 C817 I818	W589-T814 HydrophobicContact CE3-CG2 4.38Å; W589-T814 PolarHBondContact O-OG1 2.98Å; P593-T814 HydrophobicContact CG-CG2 3.69Å; R810-T814 WeakPolarHBondContact O-CB 3.39Å; R810-T814 PolarHBondContact O-N 3.32Å; R810-T814 VanDerWaalsContact O-N 3.14Å; R810-T814 PolarHBondContact O-OG1 3.5Å; V811-T814 PolarHBondContact O-N 3.3Å; T814-M816 VanDerWaalsContact C-N 3.34Å; T814-M816 PolarHBondContact O-N 3.37Å; T814-C817 PolarHBondContact O-N 3.32Å; T814-I818 HydrophobicContact CG2-CD1 3.93Å; T814-I818 WeakPolarHBondContact O-CG1 3.45Å; T814-I818 PolarHBondContact O-N 3.32Å
815	T	90	Very high	88.8	Confident	26 Å²	26	32.4 Å²	32.4	16%	0.16	19%	0.187	C	C	.	.	H	α-helix	trans	-58.6	-45.2	177.1	-59	0	0	0	0	111.5	F798 I801 V811 C817 I818 S819	F798-T815 HydrophobicContact CD2-CG2 4.42Å; I801-T815 HydrophobicContact CB-CG2 4.41Å; I801-T815 HydrophobicContact CG2-CG2 3.62Å; V811-T815 PolarHBondContact O-N 3.46Å; V811-T815 PolarHBondContact O-OG1 3.45Å; V811-T815 VanDerWaalsContact O-OG1 3.11Å; T815-C817 PolarHBondContact O-N 2.97Å; T815-I818 PolarHBondContact O-N 2.82Å; T815-S819 PolarHBondContact O-N 2.8Å; T815-S819 PolarHBondContact O-OG 2.9Å
816	M	89.5	Confident	89.2	Confident	4 Å²	4	32 Å²	32	2%	0.02	19%	0.185	C	C	.	.	H	α-helix	trans	-56.3	-50.1	176	-179.7	67.1	83.1	0	0	111.6	Y645 L661 M750 F798 F802 Q812 T813 T814 I818 S819 V820	Y645-M816 HydrophobicContact CE1-CG 4.23Å; L661-M816 HydrophobicContact CD1-SD 4.19Å; L661-M816 HydrophobicContact CD2-CE 4.16Å; L661-M816 HydrophobicContact CD2-SD 4.21Å; M750-M816 HydrophobicContact CE-CE 3.24Å; M750-M816 HydrophobicContact CG-CE 4.3Å; M750-M816 HydrophobicContact SD-CE 3.65Å; F798-M816 HydrophobicContact CE1-CE 4.27Å; F798-M816 HydrophobicContact CE1-SD 4.28Å; F798-M816 HydrophobicContact CE2-CB 4.45Å; F798-M816 HydrophobicContact CE2-CE 4.22Å; F798-M816 HydrophobicContact CE2-SD 3.85Å; F798-M816 HydrophobicContact CZ-CE 3.43Å; F798-M816 VanDerWaalsContact CZ-CE 3.43Å; F798-M816 HydrophobicContact CZ-SD 3.43Å; F798-M816 WeakPolarHBondContact CZ-SD 3.37Å; F802-M816 HydrophobicContact CD2-CE 3.99Å; F802-M816 HydrophobicContact CE2-CE 3.8Å; Q812-M816 PolarHBondContact O-N 3.2Å; T813-M816 PolarHBondContact O-N 3.24Å; T814-M816 VanDerWaalsContact C-N 3.34Å; T814-M816 PolarHBondContact O-N 3.37Å; M816-I818 VanDerWaalsContact C-N 3.32Å; M816-I818 PolarHBondContact O-N 2.81Å; M816-S819 PolarHBondContact O-N 3.36Å; M816-V820 HydrophobicContact CG-CG2 4.39Å; M816-V820 WeakPolarHBondContact O-CG2 3.22Å; M816-V820 PolarHBondContact O-N 2.95Å; M816-V820 HydrophobicContact SD-CG2 4.14Å
817	C	92.1	Very high	89.8	Confident	2 Å²	2	30.7 Å²	30.7	1%	0.014	17%	0.174	C	C	.	.	H	α-helix	trans	-59.7	-40.5	-180	-71.3	0	0	0	0	113	P593 T642 Y645 T813 T814 T815 S821	P593-C817 HydrophobicContact CB-CB 3.64Å; P593-C817 HydrophobicContact CG-CB 4.15Å; T642-C817 HydrophobicContact CG2-CB 3.94Å; Y645-C817 WeakPolarHBondContact CB-SG 3.21Å; T813-C817 PolarHBondContact O-N 3.42Å; T813-C817 VanDerWaalsContact O-N 3.08Å; T813-C817 PolarHBondContact O-SG 3.45Å; T813-C817 VanDerWaalsContact O-SG 3.36Å; T814-C817 PolarHBondContact O-N 3.32Å; T815-C817 PolarHBondContact O-N 2.97Å; C817-S821 WeakPolarHBondContact O-CB 3.44Å; C817-S821 PolarHBondContact O-N 3.4Å; C817-S821 VanDerWaalsContact O-N 3.11Å; C817-S821 PolarHBondContact O-OG 3.4Å
818	I	92.7	Very high	90.4	Very high	68 Å²	68	26 Å²	26	35%	0.349	14%	0.14	S	C	.	.	H	α-helix	trans	-68	-46.8	178.9	-67.2	170.8	0	0	0	110.5	P593 T814 T815 M816 V820 S821 L822	P593-I818 HydrophobicContact CB-CG1 4.35Å; P593-I818 HydrophobicContact CG-CD1 4.41Å; P593-I818 HydrophobicContact CG-CG1 4.03Å; T814-I818 HydrophobicContact CG2-CD1 3.93Å; T814-I818 WeakPolarHBondContact O-CG1 3.45Å; T814-I818 PolarHBondContact O-N 3.32Å; T815-I818 PolarHBondContact O-N 2.82Å; M816-I818 VanDerWaalsContact C-N 3.32Å; M816-I818 PolarHBondContact O-N 2.81Å; I818-V820 PolarHBondContact O-N 3.23Å; I818-S821 PolarHBondContact O-N 3.18Å; I818-L822 WeakPolarHBondContact O-CB 3.45Å; I818-L822 PolarHBondContact O-N 3.38Å
819	S	91.3	Very high	90.7	Very high	19 Å²	19	25 Å²	25	13%	0.133	14%	0.143	C	C	.	.	H	α-helix	trans	-63.4	-39.1	-179.8	-64.2	0	0	0	0	112.8	F798 T815 M816 S823	F798-S819 VanDerWaalsContact CD2-OG 3.3Å; F798-S819 WeakPolarHBondContact CD2-OG 3.44Å; T815-S819 PolarHBondContact O-N 2.8Å; T815-S819 PolarHBondContact O-OG 2.9Å; M816-S819 PolarHBondContact O-N 3.36Å; S819-S823 PolarHBondContact O-N 2.89Å; S819-S823 VanDerWaalsContact O-N 3.13Å; S819-S823 PolarHBondContact O-OG 2.86Å
820	V	91.8	Very high	91	Very high	3 Å²	3	24.4 Å²	24.4	2%	0.018	14%	0.144	C	C	.	.	H	α-helix	trans	-64.6	-46.3	175.3	175.2	0	0	0	0	111	C638 M641 L661 F665 M816 I818 L822 S823 G824	C638-V820 HydrophobicContact CB-CG1 4.13Å; C638-V820 WeakPolarHBondContact O-CG1 3.45Å; M641-V820 HydrophobicContact CB-CG1 4.41Å; L661-V820 HydrophobicContact CD1-CG2 3.55Å; F665-V820 HydrophobicContact CE2-CG1 4.46Å; F665-V820 HydrophobicContact CE2-CG2 4.06Å; F665-V820 HydrophobicContact CZ-CB 4.04Å; F665-V820 HydrophobicContact CZ-CG1 3.82Å; F665-V820 HydrophobicContact CZ-CG2 3.76Å; M816-V820 HydrophobicContact CG-CG2 4.39Å; M816-V820 WeakPolarHBondContact O-CG2 3.22Å; M816-V820 PolarHBondContact O-N 2.95Å; M816-V820 HydrophobicContact SD-CG2 4.14Å; I818-V820 PolarHBondContact O-N 3.23Å; V820-L822 PolarHBondContact O-N 3.24Å; V820-S823 WeakPolarHBondContact O-CB 3.49Å; V820-S823 PolarHBondContact O-N 3.42Å; V820-G824 PolarHBondContact O-N 3.03Å
821	S	94	Very high	91	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-64.1	-41.6	178.6	-60.7	0	0	0	0	112	Y639 T642 C817 I818 S823 G824 S825	Y639-S821 WeakPolarHBondContact CE1-O 3.28Å; T642-S821 PolarHBondContact OG1-OG 3.2Å; C817-S821 WeakPolarHBondContact O-CB 3.44Å; C817-S821 PolarHBondContact O-N 3.4Å; C817-S821 VanDerWaalsContact O-N 3.11Å; C817-S821 PolarHBondContact O-OG 3.4Å; I818-S821 PolarHBondContact O-N 3.18Å; S821-S823 VanDerWaalsContact C-N 3.3Å; S821-S823 PolarHBondContact O-N 2.7Å; S821-G824 PolarHBondContact O-N 2.92Å; S821-S825 PolarHBondContact O-N 3.45Å; S821-S825 PolarHBondContact O-OG 3.31Å; S821-S825 VanDerWaalsContact O-OG 3.1Å
822	L	92.9	Very high	91	Very high	83 Å²	83	19.2 Å²	19.2	44%	0.435	12%	0.12	S	C	.	.	H	α-helix	trans	-62.3	-38.6	178.6	-170.6	67.7	0	0	0	111.7	I794 I818 V820 G824 S825 V826	I794-L822 HydrophobicContact CD1-CD2 3.67Å; I794-L822 HydrophobicContact CD1-CG 3.76Å; I794-L822 HydrophobicContact CG1-CD2 3.81Å; I794-L822 HydrophobicContact CG1-CG 4.45Å; I794-L822 HydrophobicContact CG2-CD2 4.2Å; I818-L822 WeakPolarHBondContact O-CB 3.45Å; I818-L822 PolarHBondContact O-N 3.38Å; V820-L822 PolarHBondContact O-N 3.24Å; L822-G824 VanDerWaalsContact C-N 3.32Å; L822-G824 PolarHBondContact O-N 3.01Å; L822-S825 WeakPolarHBondContact O-CB 3.39Å; L822-S825 PolarHBondContact O-N 3.04Å; L822-S825 VanDerWaalsContact O-N 3.16Å; L822-V826 WeakPolarHBondContact O-CG2 3.22Å; L822-V826 PolarHBondContact O-N 3.19Å
823	S	91.4	Very high	91	Very high	4 Å²	4	20.7 Å²	20.7	3%	0.028	14%	0.135	C	C	.	.	H	α-helix	trans	-61	-40.3	175.7	-61.3	0	0	0	0	112.1	S819 V820 S821 V827	S819-S823 PolarHBondContact O-N 2.89Å; S819-S823 VanDerWaalsContact O-N 3.13Å; S819-S823 PolarHBondContact O-OG 2.86Å; V820-S823 WeakPolarHBondContact O-CB 3.49Å; V820-S823 PolarHBondContact O-N 3.42Å; S821-S823 VanDerWaalsContact C-N 3.3Å; S821-S823 PolarHBondContact O-N 2.7Å; S823-V827 PolarHBondContact O-N 3.15Å
824	G	92.1	Very high	90.8	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.01	14%	0.139	C	C	.	.	H	α-helix	trans	-64.8	-42.9	171.8	0	0	0	0	0	112.6	V820 S821 L822 V826 V827 L828	V820-G824 PolarHBondContact O-N 3.03Å; S821-G824 PolarHBondContact O-N 2.92Å; L822-G824 VanDerWaalsContact C-N 3.32Å; L822-G824 PolarHBondContact O-N 3.01Å; G824-V826 VanDerWaalsContact C-N 3.32Å; G824-V826 PolarHBondContact O-N 3.01Å; G824-V827 PolarHBondContact O-N 3.16Å; G824-V827 VanDerWaalsContact O-N 3.17Å; G824-L828 PolarHBondContact O-N 2.75Å; G824-L828 VanDerWaalsContact O-N 3.13Å
825	S	93.8	Very high	90.6	Very high	43 Å²	43	21.5 Å²	21.5	30%	0.301	14%	0.139	S	C	.	.	H	α-helix	trans	-62.9	-37.2	179.9	-60.8	0	0	0	0	112.5	Y639 S821 L822 V827 L828 G829	Y639-S825 WeakPolarHBondContact OH-CA 3.39Å; Y639-S825 PolarHBondContact OH-N 3.46Å; Y639-S825 PolarHBondContact OH-OG 3.23Å; S821-S825 PolarHBondContact O-N 3.45Å; S821-S825 PolarHBondContact O-OG 3.31Å; S821-S825 VanDerWaalsContact O-OG 3.1Å; L822-S825 WeakPolarHBondContact O-CB 3.39Å; L822-S825 PolarHBondContact O-N 3.04Å; L822-S825 VanDerWaalsContact O-N 3.16Å; S825-V827 VanDerWaalsContact C-N 3.35Å; S825-V827 PolarHBondContact O-N 2.87Å; S825-L828 PolarHBondContact O-N 3.2Å; S825-G829 PolarHBondContact O-N 3.11Å
826	V	93.9	Very high	90.4	Very high	14 Å²	14	21.5 Å²	21.5	9%	0.085	14%	0.138	C	C	.	.	H	α-helix	trans	-62.2	-42.5	175.4	169.2	0	0	0	0	111.2	T787 T790 I794 L822 G824 C830	T787-V826 HydrophobicContact CG2-CG1 4.1Å; T790-V826 HydrophobicContact CG2-CG1 4.03Å; T790-V826 HydrophobicContact CG2-CG2 3.77Å; I794-V826 HydrophobicContact CD1-CG2 3.57Å; L822-V826 WeakPolarHBondContact O-CG2 3.22Å; L822-V826 PolarHBondContact O-N 3.19Å; G824-V826 VanDerWaalsContact C-N 3.32Å; G824-V826 PolarHBondContact O-N 3.01Å; V826-C830 WeakPolarHBondContact O-CB 3.38Å; V826-C830 PolarHBondContact O-N 3.44Å; V826-C830 PolarHBondContact O-SG 3.18Å
827	V	91.3	Very high	90.2	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.012	16%	0.157	C	C	.	.	H	α-helix	trans	-62.8	-45	176.8	176.9	0	0	0	0	110.8	L631 V635 L672 T787 S823 G824 S825 L831 F832	L631-V827 HydrophobicContact CD1-CG1 4.07Å; L631-V827 HydrophobicContact CD2-CG1 4.05Å; L631-V827 HydrophobicContact CG-CG1 4.08Å; V635-V827 HydrophobicContact CG2-CB 4.01Å; V635-V827 HydrophobicContact CG2-CG1 3.8Å; L672-V827 HydrophobicContact CD1-CG2 4.49Å; T787-V827 HydrophobicContact CG2-CG2 4.04Å; S823-V827 PolarHBondContact O-N 3.15Å; G824-V827 PolarHBondContact O-N 3.16Å; G824-V827 VanDerWaalsContact O-N 3.17Å; S825-V827 VanDerWaalsContact C-N 3.35Å; S825-V827 PolarHBondContact O-N 2.87Å; V827-L831 VanDerWaalsContact O-CB 3.23Å; V827-L831 WeakPolarHBondContact O-CB 3.36Å; V827-L831 PolarHBondContact O-N 3.01Å; V827-L831 VanDerWaalsContact O-N 3.14Å; V827-F832 HydrophobicContact CG1-CD2 4.3Å; V827-F832 HydrophobicContact CG1-CE2 4Å
828	L	90.8	Very high	89.7	Confident	20 Å²	20	28.1 Å²	28.1	11%	0.105	17%	0.169	C	C	.	.	I	π-helix	trans	-63.2	-51.7	177	-68.9	175.9	0	0	0	112.4	T604 V607 L632 V635 Y639 G824 S825 F832 A833	T604-L828 WeakPolarHBondContact OG1-CD1 3.44Å; V607-L828 HydrophobicContact CG2-CD2 4.26Å; L632-L828 HydrophobicContact CD2-CD2 4.06Å; V635-L828 HydrophobicContact CG1-CD1 4.12Å; V635-L828 HydrophobicContact CG1-CD2 4.21Å; V635-L828 HydrophobicContact CG1-CG 3.97Å; Y639-L828 HydrophobicContact CE2-CD1 3.91Å; G824-L828 PolarHBondContact O-N 2.75Å; G824-L828 VanDerWaalsContact O-N 3.13Å; S825-L828 PolarHBondContact O-N 3.2Å; L828-F832 HydrophobicContact CD2-CD2 4.32Å; L828-F832 WeakPolarHBondContact O-CA 3.21Å; L828-F832 WeakPolarHBondContact O-CB 3.22Å; L828-F832 PolarHBondContact O-N 3.39Å; L828-F832 VanDerWaalsContact O-N 3.14Å; L828-A833 PolarHBondContact O-N 3.29Å
829	G	89.9	Confident	89.2	Confident	41 Å²	41	25.5 Å²	25.5	42%	0.423	16%	0.156	S	C	.	.	I	π-helix	trans	-66.9	-46	-175.6	0	0	0	0	0	112.9	S825 A833	S825-G829 PolarHBondContact O-N 3.11Å; G829-A833 WeakPolarHBondContact O-CB 3.32Å
830	C	89.6	Confident	88.8	Confident	19 Å²	19	28.4 Å²	28.4	13%	0.128	17%	0.17	C	C	.	.	I	π-helix	trans	-83.1	-37	-171.7	-57.7	0	0	0	0	112.9	F783 F786 T787 V826	F783-C830 WeakPolarHBondContact CB-O 3.45Å; F783-C830 WeakPolarHBondContact CD1-O 3.31Å; F786-C830 HydrophobicContact CD1-CB 3.81Å; F786-C830 WeakPolarHBondContact CD1-SG 3.19Å; F786-C830 HydrophobicContact CE1-CB 4.37Å; F786-C830 WeakPolarHBondContact CE1-SG 3.15Å; T787-C830 WeakPolarHBondContact OG1-CB 3.28Å; V826-C830 WeakPolarHBondContact O-CB 3.38Å; V826-C830 PolarHBondContact O-N 3.44Å; V826-C830 PolarHBondContact O-SG 3.18Å
831	L	87.9	Confident	88.4	Confident	3 Å²	3	35.4 Å²	35.4	2%	0.016	20%	0.2	C	C	.	.	I	π-helix	trans	-101.4	-33.4	-171.4	-167.5	144.9	0	0	0	113.3	L631 L672 I784 V827	L631-L831 HydrophobicContact CD2-CD1 4.42Å; L631-L831 HydrophobicContact CD2-CD2 4.19Å; L672-L831 HydrophobicContact CD2-CD1 3.55Å; I784-L831 HydrophobicContact CG1-CD1 3.86Å; V827-L831 VanDerWaalsContact O-CB 3.23Å; V827-L831 WeakPolarHBondContact O-CB 3.36Å; V827-L831 PolarHBondContact O-N 3.01Å; V827-L831 VanDerWaalsContact O-N 3.14Å
832	F	89.6	Confident	87.7	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.212	C	C	.	.	I	π-helix	trans	-102.2	-34.2	-174.5	-71.1	-78.2	0	0	0	114	V607 F611 T628 L631 L632 V827 L828 K835 I836	V607-F832 HydrophobicContact CG1-CB 4.35Å; V607-F832 HydrophobicContact CG1-CD1 3.96Å; V607-F832 HydrophobicContact CG1-CG 4.27Å; F611-F832 HydrophobicContact CE1-CD1 4.27Å; F611-F832 HydrophobicContact CE1-CE1 4.11Å; F611-F832 HydrophobicContact CE2-CD1 4.36Å; F611-F832 AromaticContact CZ-CD1 3.81Å; F611-F832 HydrophobicContact CZ-CD1 3.81Å; F611-F832 HydrophobicContact CZ-CE1 4.12Å; T628-F832 HydrophobicContact CG2-CE1 3.41Å; T628-F832 VanDerWaalsContact CG2-CE1 3.41Å; T628-F832 HydrophobicContact CG2-CZ 3.73Å; L631-F832 HydrophobicContact CD2-CE2 3.9Å; L631-F832 HydrophobicContact CD2-CZ 4.01Å; L631-F832 HydrophobicContact CG-CE2 4.28Å; L631-F832 HydrophobicContact CG-CZ 4.44Å; L632-F832 HydrophobicContact CD1-CE1 4.08Å; L632-F832 HydrophobicContact CD1-CZ 4.14Å; L632-F832 HydrophobicContact CD2-CD2 4.16Å; L632-F832 HydrophobicContact CD2-CE1 4.11Å; L632-F832 HydrophobicContact CD2-CE2 3.74Å; L632-F832 HydrophobicContact CD2-CZ 3.71Å; L632-F832 HydrophobicContact CG-CE1 4.11Å; L632-F832 HydrophobicContact CG-CE2 4.15Å; L632-F832 HydrophobicContact CG-CZ 3.67Å; V827-F832 HydrophobicContact CG1-CD2 4.3Å; V827-F832 HydrophobicContact CG1-CE2 4Å; L828-F832 HydrophobicContact CD2-CD2 4.32Å; L828-F832 WeakPolarHBondContact O-CA 3.21Å; L828-F832 WeakPolarHBondContact O-CB 3.22Å; L828-F832 PolarHBondContact O-N 3.39Å; L828-F832 VanDerWaalsContact O-N 3.14Å; F832-K835 WeakPolarHBondContact O-CB 3.16Å; F832-K835 PolarHBondContact O-N 3.11Å; F832-I836 HydrophobicContact CB-CD1 4.19Å; F832-I836 WeakPolarHBondContact O-CG1 3.14Å; F832-I836 PolarHBondContact O-N 2.88Å
833	A	87.2	Confident	86.8	Confident	47 Å²	47	37.7 Å²	37.7	39%	0.388	22%	0.215	S	C	.	.	H	α-helix	trans	-55.7	-43.4	179.7	0	0	0	0	0	113.8	L828 G829 K835 I836 H837	L828-A833 PolarHBondContact O-N 3.29Å; G829-A833 WeakPolarHBondContact O-CB 3.32Å; A833-K835 VanDerWaalsContact C-N 3.27Å; A833-K835 PolarHBondContact O-N 2.96Å; A833-I836 PolarHBondContact O-N 3.36Å; A833-H837 WeakPolarHBondContact O-CB 3.4Å; A833-H837 PolarHBondContact O-N 3.13Å
834	P	84.6	Confident	85.6	Confident	32 Å²	32	43.6 Å²	43.6	21%	0.208	24%	0.243	C	C	.	.	H	α-helix	trans	-62.2	-33.4	176.1	-22.2	33.5	0	0	0	113.1	F783 I838	F783-P834 HydrophobicContact CD1-CG 3.76Å; F783-P834 HydrophobicContact CD2-CB 4.47Å; F783-P834 HydrophobicContact CD2-CG 4.37Å; F783-P834 HydrophobicContact CE1-CB 4.16Å; F783-P834 HydrophobicContact CE1-CG 3.54Å; F783-P834 HydrophobicContact CE2-CB 4.02Å; F783-P834 HydrophobicContact CE2-CG 4.18Å; F783-P834 HydrophobicContact CG-CG 4.19Å; F783-P834 HydrophobicContact CZ-CB 3.85Å; F783-P834 HydrophobicContact CZ-CG 3.77Å; P834-I838 WeakPolarHBondContact O-CG1 3.48Å; P834-I838 PolarHBondContact O-N 3.43Å
835	K	85.3	Confident	84.2	Confident	21 Å²	21	49.8 Å²	49.8	9%	0.091	27%	0.269	C	S	.	.	H	α-helix	trans	-75	-42.2	179.9	-65.9	176	-179	169.3	0	111.6	F611 S623 E780 F832 A833 H837 I838 I839	F611-K835 HydrophobicContact CZ-CB 4.22Å; F611-K835 HydrophobicContact CZ-CD 4.41Å; S623-K835 PolarHBondContact OG-NZ 2.79Å; E780-K835 IonicContact OE1-NZ 2.62Å; E780-K835 PolarHBondContact OE1-NZ 3.24Å; F832-K835 WeakPolarHBondContact O-CB 3.16Å; F832-K835 PolarHBondContact O-N 3.11Å; A833-K835 VanDerWaalsContact C-N 3.27Å; A833-K835 PolarHBondContact O-N 2.96Å; K835-H837 VanDerWaalsContact C-N 3.3Å; K835-I838 PolarHBondContact O-N 3.48Å; K835-I839 VanDerWaalsContact O-CG1 3.26Å; K835-I839 WeakPolarHBondContact O-CG1 3.48Å; K835-I839 PolarHBondContact O-N 3.36Å
836	I	87	Confident	82.9	Confident	26 Å²	26	48.8 Å²	48.8	13%	0.133	26%	0.261	C	S	.	.	H	α-helix	trans	-62.5	-42.5	175.3	-64.9	161.7	0	0	0	109.8	V607 L610 F611 F832 A833 I838 I839 L840	V607-I836 HydrophobicContact CB-CD1 4.29Å; V607-I836 HydrophobicContact CG1-CD1 4.04Å; V607-I836 HydrophobicContact CG1-CG1 4.48Å; V607-I836 HydrophobicContact CG2-CD1 3.43Å; V607-I836 VanDerWaalsContact CG2-CD1 3.43Å; L610-I836 HydrophobicContact CD1-CG2 4.07Å; F611-I836 HydrophobicContact CE2-CG1 4.25Å; F832-I836 HydrophobicContact CB-CD1 4.19Å; F832-I836 WeakPolarHBondContact O-CG1 3.14Å; F832-I836 PolarHBondContact O-N 2.88Å; A833-I836 PolarHBondContact O-N 3.36Å; I836-I838 VanDerWaalsContact C-N 3.34Å; I836-I838 PolarHBondContact O-N 3.48Å; I836-I839 PolarHBondContact O-N 3.03Å; I836-L840 HydrophobicContact CG2-CD1 3.67Å; I836-L840 HydrophobicContact CG2-CG 4.27Å; I836-L840 WeakPolarHBondContact O-CB 3.05Å; I836-L840 PolarHBondContact O-N 3.35Å
837	H	84.6	Confident	81.6	Confident	92 Å²	92	53 Å²	53	43%	0.426	29%	0.286	S	S	.	.	H	α-helix	trans	-59.1	-43.8	176.4	-178.2	-82.6	0	0	0	112.2	A833 K835 F841	A833-H837 WeakPolarHBondContact O-CB 3.4Å; A833-H837 PolarHBondContact O-N 3.13Å; K835-H837 VanDerWaalsContact C-N 3.3Å; H837-F841 AromaticContact CD2-CD2 3.93Å; H837-F841 WeakPolarHBondContact O-CB 3.44Å; H837-F841 PolarHBondContact O-N 2.83Å
838	I	81.7	Confident	79.5	Confident	52 Å²	52	57.9 Å²	57.9	27%	0.267	32%	0.319	S	S	.	.	H	α-helix	trans	-64.6	-42.8	176.1	-67.1	165.5	0	0	0	111.2	V619 P834 K835 I836 Q842 K845	V619-I838 HydrophobicContact CG2-CG2 4.33Å; P834-I838 WeakPolarHBondContact O-CG1 3.48Å; P834-I838 PolarHBondContact O-N 3.43Å; K835-I838 PolarHBondContact O-N 3.48Å; I836-I838 VanDerWaalsContact C-N 3.34Å; I836-I838 PolarHBondContact O-N 3.48Å; I838-Q842 CarbonylContact O-C 3.5Å; I838-Q842 WeakPolarHBondContact O-CA 3.44Å; I838-Q842 PolarHBondContact O-N 2.03Å; I838-Q842 VanDerWaalsContact O-O 3.14Å; I838-K845 HydrophobicContact CG2-CB 4.19Å
839	I	83.1	Confident	77.3	Confident	14 Å²	14	64 Å²	64	7%	0.072	35%	0.352	C	S	.	.	H	α-helix	trans	-67.3	-39.3	-177.9	-70.2	167.7	0	0	0	112.2	F611 N614 V619 V620 K835 I836	F611-I839 HydrophobicContact CE2-CD1 4.17Å; F611-I839 HydrophobicContact CZ-CD1 4.44Å; N614-I839 WeakPolarHBondContact ND2-CG2 3.12Å; V619-I839 HydrophobicContact CG1-CD1 4.49Å; V619-I839 HydrophobicContact CG1-CG1 4.49Å; V620-I839 HydrophobicContact CG2-CD1 4.08Å; K835-I839 VanDerWaalsContact O-CG1 3.26Å; K835-I839 WeakPolarHBondContact O-CG1 3.48Å; K835-I839 PolarHBondContact O-N 3.36Å; I836-I839 PolarHBondContact O-N 3.03Å
840	L	82.4	Confident	74.7	Confident	80 Å²	80	70 Å²	70	42%	0.419	37%	0.373	S	S	.	.	H	α-helix	trans	-90.4	-42.3	-175.9	-68.5	177.4	0	0	0	113.8	F606 L610 I836	F606-L840 HydrophobicContact CZ-CD1 4.47Å; L610-L840 HydrophobicContact CD1-CD1 4.16Å; L610-L840 HydrophobicContact CD2-CD2 3.99Å; I836-L840 HydrophobicContact CG2-CD1 3.67Å; I836-L840 HydrophobicContact CG2-CG 4.27Å; I836-L840 WeakPolarHBondContact O-CB 3.05Å; I836-L840 PolarHBondContact O-N 3.35Å
841	F	82.7	Confident	72.3	Confident	149 Å²	149	80 Å²	80	65%	0.654	41%	0.409	S	S	*	.	H	α-helix	trans	-109	-13.5	-169.5	-61.9	-78.9	0	0	0	114	H837 P843	H837-F841 AromaticContact CD2-CD2 3.93Å; H837-F841 WeakPolarHBondContact O-CB 3.44Å; H837-F841 PolarHBondContact O-N 2.83Å; F841-P843 VanDerWaalsContact C-CD 3.46Å
842	Q	78.8	Confident	69.7	Low	52 Å²	52	86.5 Å²	86.5	24%	0.243	45%	0.448	C	S	.	.			trans	-131.6	57.7	177.7	-60.8	-171.5	-6	0	0	113.1	I838 Q844 K845	I838-Q842 CarbonylContact O-C 3.5Å; I838-Q842 WeakPolarHBondContact O-CA 3.44Å; I838-Q842 PolarHBondContact O-N 2.03Å; I838-Q842 VanDerWaalsContact O-O 3.14Å; Q842-Q844 VanDerWaalsContact C-OE1 3.22Å; Q842-Q844 PolarHBondContact O-N 3.12Å; Q842-Q844 VanDerWaalsContact O-N 3.07Å; Q842-K845 PolarHBondContact O-N 2.94Å
843	P	74.1	Confident	66.9	Low	79 Å²	79	90.8 Å²	90.8	51%	0.513	48%	0.483	S	S	.	.	G	3₁₀ helix	trans	-57.9	-25.3	-178.3	23.8	-33.5	0	0	0	113.7	F841 K845 N846	F841-P843 VanDerWaalsContact C-CD 3.46Å; P843-K845 PolarHBondContact O-N 3.38Å; P843-N846 VanDerWaalsContact O-CB 3.23Å; P843-N846 WeakPolarHBondContact O-CB 3.37Å; P843-N846 PolarHBondContact O-N 3.1Å
844	Q	66.3	Low	64.3	Low	129 Å²	129	94.9 Å²	94.9	60%	0.603	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-61.1	-23.2	174.6	66	-80.9	12.6	0	0	114.2	Q842 N846 V847	Q842-Q844 VanDerWaalsContact C-OE1 3.22Å; Q842-Q844 PolarHBondContact O-N 3.12Å; Q842-Q844 VanDerWaalsContact O-N 3.07Å; Q844-N846 VanDerWaalsContact C-N 3.33Å; Q844-V847 WeakPolarHBondContact O-CG2 3.45Å
845	K	64.6	Low	61.8	Low	130 Å²	130	99.2 Å²	99.2	57%	0.565	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-90	1.7	174.2	-67.9	-176.2	-177.2	166.1	0	112.9	I838 Q842 P843	I838-K845 HydrophobicContact CG2-CB 4.19Å; Q842-K845 PolarHBondContact O-N 2.94Å; P843-K845 PolarHBondContact O-N 3.38Å
846	N	66.4	Low	59.2	Low	23 Å²	23	109.8 Å²	109.8	12%	0.123	57%	0.569	C	S	.	*	S	Bend	trans	-101.6	24	-175.4	-159.1	18.7	0	0	0	113.4	T617 P618 V619 P843 Q844	T617-N846 WeakPolarHBondContact CB-OD1 3.04Å; T617-N846 WeakPolarHBondContact CG2-ND2 3.4Å; P618-N846 WeakPolarHBondContact CD-O 3.22Å; P618-N846 WeakPolarHBondContact CG-O 3.45Å; V619-N846 VanDerWaalsContact CG2-OD1 3.24Å; V619-N846 WeakPolarHBondContact CG2-OD1 3.44Å; P843-N846 VanDerWaalsContact O-CB 3.23Å; P843-N846 WeakPolarHBondContact O-CB 3.37Å; P843-N846 PolarHBondContact O-N 3.1Å; Q844-N846 VanDerWaalsContact C-N 3.33Å
847	V	65.1	Low	56.6	Low	102 Å²	102	117.5 Å²	117.5	62%	0.618	60%	0.602	S	S	*	*	S	Bend	trans	-123.8	147.7	177.3	-98.8	0	0	0	0	110.8	Q844 N849	Q844-V847 WeakPolarHBondContact O-CG2 3.45Å; V847-N849 PolarHBondContact O-N 3.07Å
848	C	48	Very low	53.9	Low	104 Å²	104	118.4 Å²	118.4	70%	0.703	62%	0.619	S	S	*	*			trans	-82.7	102.5	-176.9	-168.7	0	0	0	0	110.6	L850	C848-L850 PolarHBondContact O-N 3.33Å
849	N	43.7	Very low	51.5	Low	149 Å²	149	122.2 Å²	122.2	80%	0.797	64%	0.644	S	S	*	*			trans	-77	114.8	168.7	-77.4	-12.9	0	0	0	109.7	V847 R851	V847-N849 PolarHBondContact O-N 3.07Å; N849-R851 PolarHBondContact O-N 2.94Å
850	L	37.1	Very low	49	Very low	167 Å²	167	128.7 Å²	128.7	87%	0.874	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-57.9	131.6	173.7	-123	88.5	0	0	0	110.1	C848	C848-L850 PolarHBondContact O-N 3.33Å
851	R	37.8	Very low	46.7	Very low	230 Å²	230	131.4 Å²	131.4	87%	0.868	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-68.9	138.3	175.3	-87.5	179	173.3	157.9	-2.4	111.7	N849	N849-R851 PolarHBondContact O-N 2.94Å
852	V	33.4	Very low	44.1	Very low	138 Å²	138	127.6 Å²	127.6	84%	0.836	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-46.2	129.8	170.4	175.3	0	0	0	0	112.3
853	A	31.1	Very low	42.5	Very low	90 Å²	90	131.6 Å²	131.6	74%	0.744	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-65.8	134.6	172.1	0	0	0	0	0	111.3	T855	A853-T855 PolarHBondContact O-N 2.92Å
854	T	32.1	Very low	40.3	Very low	134 Å²	134	132 Å²	132	82%	0.822	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-64	119	178.3	-44.4	0	0	0	0	111.4	R856	T854-R856 PolarHBondContact O-N 3.08Å
855	T	32	Very low	38.5	Very low	122 Å²	122	131.2 Å²	131.2	75%	0.748	75%	0.751	S	S	*	*			trans	-68.6	109.9	166.1	28.8	0	0	0	0	109.9	A853	A853-T855 PolarHBondContact O-N 2.92Å
856	R	32.1	Very low	36.7	Very low	243 Å²	243	129.5 Å²	129.5	92%	0.917	76%	0.755	S	S	*	*			trans	-79.4	112.6	160.9	-78.6	-178.9	174	163.6	-2.2	108.1	T854	T854-R856 PolarHBondContact O-N 3.08Å
857	F	32.1	Very low	34.9	Very low	189 Å²	189	138 Å²	138	83%	0.829	79%	0.792	S	S	*	*			trans	-105.7	111.6	156.8	-95.3	-83.7	0	0	0	108.1
858	S	28.3	Very low	33	Very low	111 Å²	111	137.1 Å²	137.1	78%	0.776	79%	0.79	S	S	*	*			trans	-99.3	121.1	166.9	172.9	0	0	0	0	106.8
859	V	31.4	Very low	32.1	Very low	132 Å²	132	140.8 Å²	140.8	80%	0.8	80%	0.797	S	S	*	*			trans	-127.9	131.2	165.7	176.9	0	0	0	0	108.5
860	N	30.6	Very low	31.2	Very low	149 Å²	149	138 Å²	138	80%	0.797	79%	0.794	S	S	*	*			trans	-51.4	147.3	-173.3	-83.9	-14.6	0	0	0	116
861	T	32.5	Very low	30.7	Very low	138 Å²	138	135.6 Å²	135.6	85%	0.847	79%	0.791	S	S	*	*			trans	-66.3	135.7	156.2	43.6	0	0	0	0	111.5
862	G	29.5	Very low	30.3	Very low	69 Å²	69	129 Å²	129	71%	0.711	79%	0.786	S	S	*	*			trans	-69	-170.2	167.5	0	0	0	0	0	113.3
863	P	45.4	Very low	30	Very low	135 Å²	135	127.1 Å²	127.1	88%	0.877	78%	0.779	S	S	*	*				-147.7	162.8	56.9	37.9	-18.3	0	0	0	117
864	A	26.4	Very low	29.8	Very low	87 Å²	87	130 Å²	130	72%	0.719	78%	0.782	S	S	*	*				147.6	135.8	120	0	0	0	0	0	114.4
865	S	28.6	Very low	29.6	Very low	114 Å²	114	128.9 Å²	128.9	80%	0.797	77%	0.774	S	S	*	*			trans	68.8	141	154.1	73.6	0	0	0	0	117.3
866	S	27.1	Very low	29.5	Very low	94 Å²	94	128.9 Å²	128.9	66%	0.657	77%	0.774	S	S	*	*			cis	176.9	149.8	3.3	31.8	0	0	0	0	107.4
867	F	28.5	Very low	29.9	Very low	202 Å²	202	121.9 Å²	121.9	89%	0.886	76%	0.76	S	S	*	*			trans	66.8	144.4	160.7	-85.7	-112.8	0	0	0	117.1
868	S	26	Very low	29.8	Very low	83 Å²	83	118.5 Å²	118.5	58%	0.58	76%	0.755	S	S	*	*			cis	-177.6	151.2	-0	38.7	0	0	0	0	108.9
869	Q	27.6	Very low	29.9	Very low	181 Å²	181	119.2 Å²	119.2	85%	0.846	75%	0.754	S	S	*	*			trans	59.2	115.3	144.3	-77.4	179.9	-19.9	0	0	119.7
870	A	26	Very low	29.6	Very low	90 Å²	90	118.5 Å²	118.5	74%	0.744	75%	0.754	S	S	*	*				86.3	139.4	95.5	0	0	0	0	0	111.2
871	S	26.6	Very low	29.6	Very low	116 Å²	116	119.3 Å²	119.3	81%	0.811	76%	0.759	S	S	*	*			cis	-169.2	164.3	-4.6	-87.9	0	0	0	0	105.9
872	A	28.5	Very low	29.4	Very low	92 Å²	92	116 Å²	116	76%	0.76	75%	0.751	S	S	*	*			trans	93.8	120.1	149.6	0	0	0	0	0	120.9
873	S	26.9	Very low	29.2	Very low	98 Å²	98	123.2 Å²	123.2	69%	0.685	76%	0.757	S	S	*	*			trans	76.8	112.1	130.9	61.4	0	0	0	0	120.4
874	N	28.4	Very low	28.3	Very low	151 Å²	151	124 Å²	124	81%	0.807	75%	0.749	S	S	*	*				147	140.4	129.3	-76.2	-22.3	0	0	0	107.3
875	V	28.3	Very low	28.3	Very low	110 Å²	110	126.3 Å²	126.3	67%	0.667	75%	0.754	S	S	*	*			cis	-178.3	121.5	7.7	132.6	0	0	0	0	100.9
876	V	29.2	Very low	28.3	Very low	122 Å²	122	126.3 Å²	126.3	74%	0.739	75%	0.749	S	S	*	*				67.8	148.2	109	-179.5	0	0	0	0	112.8
877	P	39.8	Very low	28.2	Very low	97 Å²	97	128.4 Å²	128.4	63%	0.63	75%	0.753	S	S	*	*			cis	-148.6	-177.4	-42.3	43.7	-24.6	0	0	0	114.3
878	T	29.6	Very low	28.2	Very low	118 Å²	118	122.8 Å²	122.8	72%	0.724	74%	0.739	S	S	*	*			trans	41.9	123.1	140.8	49.7	0	0	0	0	122.5
879	V	30.3	Very low	28.3	Very low	125 Å²	125	124.7 Å²	124.7	76%	0.758	75%	0.747	S	S	*	*				76.2	128.5	74.4	177.5	0	0	0	0	114.9
880	C	26.3	Very low	28.3	Very low	118 Å²	118	121.8 Å²	121.8	80%	0.797	74%	0.742	S	S	*	*			trans	159.8	127.3	133.1	-88.1	0	0	0	0	108.8
881	N	30.3	Very low	28.5	Very low	166 Å²	166	122.4 Å²	122.4	89%	0.888	74%	0.741	S	S	*	*			cis	87.1	140.3	42.3	-150.5	28.2	0	0	0	114.5
882	G	27.2	Very low	28.6	Very low	67 Å²	67	121.9 Å²	121.9	69%	0.691	74%	0.737	S	S	*	*			trans	109.7	119	168.1	0	0	0	0	0	114.6
883	R	26.2	Very low	28.7	Very low	221 Å²	221	129.3 Å²	129.3	83%	0.834	76%	0.763	S	S	*	*			cis	86.6	128.6	35.6	-155.4	-175.7	-176.9	157.2	8.3	114.3
884	E	26.2	Very low	28.8	Very low	151 Å²	151	130.9 Å²	130.9	71%	0.706	77%	0.767	S	S	*	*			trans	68.5	144.3	163.8	-78.8	153.9	-155.6	0	0	116.7
885	V	27.4	Very low	28.8	Very low	136 Å²	136	129.8 Å²	129.8	82%	0.824	76%	0.764	S	S	*	*			cis	-155.2	156.3	49.2	177	0	0	0	0	111.5
886	V	27.3	Very low	28.9	Very low	115 Å²	115	130.9 Å²	130.9	70%	0.697	77%	0.77	S	S	*	*			trans	-59.5	141.3	170	173.5	0	0	0	0	113.9
887	D	26.2	Very low	28.8	Very low	138 Å²	138	131.5 Å²	131.5	74%	0.738	77%	0.772	S	S	*	*				179.4	118.7	129	-97.9	-28.6	0	0	0	109.6
888	S	26.9	Very low	28.2	Very low	84 Å²	84	133.6 Å²	133.6	59%	0.587	78%	0.78	S	S	*	*				64.7	103.2	90.2	-48.2	0	0	0	0	110
889	T	29.5	Very low	28.1	Very low	122 Å²	122	134.7 Å²	134.7	75%	0.748	78%	0.784	S	S	*	*				177.5	137.8	73.9	31	0	0	0	0	110.5
890	T	27.8	Very low	27.9	Very low	121 Å²	121	135.4 Å²	135.4	74%	0.742	79%	0.786	S	S	*	*			trans	48.4	118.7	136.5	64.4	0	0	0	0	120.7
891	S	29.5	Very low	28	Very low	103 Å²	103	136.7 Å²	136.7	72%	0.72	79%	0.785	S	S	*	*				148.2	119.9	103.4	-78.6	0	0	0	0	112.3
892	S	29.1	Very low	27.8	Very low	105 Å²	105	134.3 Å²	134.3	73%	0.734	78%	0.777	S	S	*	*			trans	50.9	96.9	143.7	58.6	0	0	0	0	118.9
893	L	30.7	Very low	27.9	Very low	248 Å²	248	140.4 Å²	140.4	100%	1.298	79%	0.785	S	S	*	*				172.2	0	104.9	-98.5	153.5	0	0	0	110.8

Retrieved 893 of 893 residues in 195.2 ms (Link to these results)

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