A0A096MCF8_POEFO Loading...

Glutamate receptor

Receptor for glutamate that functions as a ligand-gated ion channel in the central nervous system and plays an important role in excitatory synaptic transmission. L-glutamate acts as an excitatory neurotransmitter at many synapses in the central nervous system.

AlphaFold DB , UniProt , Accession A0A096MCF8, Species POEFO (Poecilia formosa, Amazon molly), Gene GRIA2, Length 901 aa.

						>A0A096MCF8_POEFO|A0A096MCF8|GRIA2
MGNIVNLFFSILLVLWVCAFGGSPSVQIGGLFPRGADQEYSAFRIGMVQFGTSEFRLTPHIDNLEVANSFAVTNCFCSQFSRGVYAIFGFYDKKSVNTITSFCGTLHVSFITPSFPLDGNQQFVIQMRPDIKGPLLSLIEYYKWDKFAYLYDSDRGLTTLQVVLDIAAIKEWHVTAINVGNLKDEKKDEAYRSLFQDLESKKERRVILDCEQDKVKDIMEQVIKIGQHIKGYHYIIANLGFVDGDLSKIQYGGANVSGFQIVDFEEPLVSKFNQRWEALEEKEYPGADSKIRYTSALTYDAVQVMTEAFRYLHKQRVDFTRRANTGDCLANPAVPWAQGVEIERALKQVNVDGLSGNIQFDQHGKRLNYTVGVMELTDNGPVKIGFWNENNKMVVTKKDISSNDTIGGNKTVVVTTILEAPYVMLKKNADQFVDNERYEGYCVDLAAEIAKHCGFKYELRIVGDGKYGARDAETKIWNGMVGELVYGKADIAVAPLTITLVREEVIDFSKPFMSLGISIMIKKPQKSKPGVFSFLDPLAYEIWMCIVFAYIGVSVVLFLVSRFSPYEWHTEEYEDGQIQTNESTNEFGIFNSLWFSLGAFMRQGCDISPSRRSLSGRIVGGVWWFFTLIIISSYTANLAAFLTVERMVSPIESAEDLAKQTEIAYGTLDSGSTKEFFRSTQRSKIALFDKMWTYMRSAEPSVFVKTTAEGVQRVRKSKGKYAYLLESTMNEYIEQRKPCDTMKVGGNLDSKGYGIATPKGSSLRNAVNLAVLKLNEQGLLDKLKNKWWYDKGECGSGGGDSKEKTSALSLSNVAGVFYILVGGLGLAMLVALIEFCYKSRAEAKRMKVTFGDAMRNKARLSVTGSTGENGRVMTPEFPKAVHAVPYARPDMGLNVSLTDLS
					

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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	53.3	Low	59.5	Low	210 Å²	210	116.4 Å²	116.4	100%	1.034	62%	0.621	S	S	*	*				0	-48.4	0	-75.7	179.7	173.8	0	0	113.4	N3 I4	M1-N3 PolarHBondContact O-N 2.78Å; M1-N3 VanDerWaalsContact O-N 3.13Å; M1-I4 PolarHBondContact O-N 3.29Å
2	G	56.3	Low	59.5	Low	46 Å²	46	115.1 Å²	115.1	47%	0.474	61%	0.613	S	S	.	*	H	α-helix	trans	-44.2	-48.2	-172.7	0	0	0	0	0	117.1	I4 V5 N6	G2-I4 VanDerWaalsContact C-N 3.26Å; G2-I4 PolarHBondContact O-N 2.87Å; G2-V5 PolarHBondContact O-N 3.28Å; G2-V5 VanDerWaalsContact O-N 3.08Å; G2-N6 PolarHBondContact O-N 3.42Å
3	N	52.8	Low	59.3	Low	144 Å²	144	114.6 Å²	114.6	77%	0.77	61%	0.61	S	S	*	*	H	α-helix	trans	-62.5	-28.8	-176.8	-62.5	16.7	0	0	0	113.9	M1 L7	M1-N3 PolarHBondContact O-N 2.78Å; M1-N3 VanDerWaalsContact O-N 3.13Å; N3-L7 WeakPolarHBondContact O-CB 3.22Å; N3-L7 PolarHBondContact O-N 2.88Å; N3-L7 VanDerWaalsContact O-N 3.12Å
4	I	57.2	Low	59.1	Low	126 Å²	126	112.9 Å²	112.9	65%	0.646	61%	0.606	S	S	*	*	H	α-helix	trans	-73.6	-40.1	176.2	-66.1	169.2	0	0	0	110.1	M1 G2 L7 F8	M1-I4 PolarHBondContact O-N 3.29Å; G2-I4 VanDerWaalsContact C-N 3.26Å; G2-I4 PolarHBondContact O-N 2.87Å; I4-L7 PolarHBondContact O-N 2.97Å; I4-F8 WeakPolarHBondContact O-CB 3.37Å; I4-F8 PolarHBondContact O-N 3.31Å
5	V	61.8	Low	58.7	Low	83 Å²	83	112.6 Å²	112.6	50%	0.503	60%	0.603	S	S	.	*	H	α-helix	trans	-63.7	-44.9	177.3	-179.7	0	0	0	0	110.6	G2 L7 F8 F9	G2-V5 PolarHBondContact O-N 3.28Å; G2-V5 VanDerWaalsContact O-N 3.08Å; V5-L7 PolarHBondContact O-N 3.05Å; V5-F8 PolarHBondContact O-N 3.12Å; V5-F9 WeakPolarHBondContact O-CB 3.25Å; V5-F9 PolarHBondContact O-N 3.48Å
6	N	55.6	Low	58.2	Low	109 Å²	109	116.9 Å²	116.9	58%	0.583	61%	0.608	S	S	*	*	H	α-helix	trans	-64.9	-38	176.7	-74.7	3.5	0	0	0	112.5	G2 F9 S10	G2-N6 PolarHBondContact O-N 3.42Å; N6-F9 PolarHBondContact O-N 3.16Å; N6-S10 WeakPolarHBondContact O-CB 3.35Å; N6-S10 PolarHBondContact O-N 3.39Å; N6-S10 PolarHBondContact O-OG 3.3Å
7	L	62.9	Low	57.9	Low	115 Å²	115	115.8 Å²	115.8	60%	0.602	61%	0.608	S	S	*	*	H	α-helix	trans	-65.1	-42.8	174.9	-164.4	74.5	0	0	0	111	N3 I4 V5 S10 I11	N3-L7 WeakPolarHBondContact O-CB 3.22Å; N3-L7 PolarHBondContact O-N 2.88Å; N3-L7 VanDerWaalsContact O-N 3.12Å; I4-L7 PolarHBondContact O-N 2.97Å; V5-L7 PolarHBondContact O-N 3.05Å; L7-S10 PolarHBondContact O-N 3.41Å; L7-I11 HydrophobicContact CD2-CD1 4.42Å; L7-I11 HydrophobicContact CG-CD1 3.99Å; L7-I11 WeakPolarHBondContact O-CB 3.43Å; L7-I11 VanDerWaalsContact O-CG1 3.26Å; L7-I11 WeakPolarHBondContact O-CG1 3.33Å; L7-I11 PolarHBondContact O-N 3.21Å
8	F	64.9	Low	57.1	Low	144 Å²	144	114.8 Å²	114.8	63%	0.632	61%	0.61	S	S	*	*	H	α-helix	trans	-63.1	-42.8	175.7	-127.3	-88.3	0	0	0	111.8	I4 V5 I11 L12	I4-F8 WeakPolarHBondContact O-CB 3.37Å; I4-F8 PolarHBondContact O-N 3.31Å; V5-F8 PolarHBondContact O-N 3.12Å; F8-I11 PolarHBondContact O-N 3.43Å; F8-L12 WeakPolarHBondContact O-CB 3.5Å; F8-L12 PolarHBondContact O-N 3.29Å
9	F	64.1	Low	56.3	Low	142 Å²	142	112.8 Å²	112.8	62%	0.623	61%	0.612	S	S	*	*	H	α-helix	trans	-64.4	-42.8	177.4	-121.5	-87.3	0	0	0	112.1	V5 N6 L12 L13	V5-F9 WeakPolarHBondContact O-CB 3.25Å; V5-F9 PolarHBondContact O-N 3.48Å; N6-F9 PolarHBondContact O-N 3.16Å; F9-L12 PolarHBondContact O-N 2.93Å; F9-L13 VanDerWaalsContact O-CB 3.3Å; F9-L13 WeakPolarHBondContact O-CB 3.15Å; F9-L13 PolarHBondContact O-N 3.19Å
10	S	59.4	Low	55.5	Low	73 Å²	73	114.9 Å²	114.9	51%	0.51	62%	0.615	S	S	.	*	H	α-helix	trans	-65.2	-40.5	175.1	-67.8	0	0	0	0	112.5	N6 L7 L13 V14	N6-S10 WeakPolarHBondContact O-CB 3.35Å; N6-S10 PolarHBondContact O-N 3.39Å; N6-S10 PolarHBondContact O-OG 3.3Å; L7-S10 PolarHBondContact O-N 3.41Å; S10-L13 PolarHBondContact O-N 3.35Å; S10-V14 WeakPolarHBondContact O-CB 3.22Å; S10-V14 VanDerWaalsContact O-CG2 3.3Å; S10-V14 WeakPolarHBondContact O-CG2 3.3Å; S10-V14 PolarHBondContact O-N 3.37Å
11	I	66	Low	54.7	Low	88 Å²	88	112.3 Å²	112.3	45%	0.451	62%	0.616	S	S	.	*	H	α-helix	trans	-65.4	-41.5	174.9	-70.5	167.4	0	0	0	110.7	L7 F8 V14 L15	L7-I11 HydrophobicContact CD2-CD1 4.42Å; L7-I11 HydrophobicContact CG-CD1 3.99Å; L7-I11 WeakPolarHBondContact O-CB 3.43Å; L7-I11 VanDerWaalsContact O-CG1 3.26Å; L7-I11 WeakPolarHBondContact O-CG1 3.33Å; L7-I11 PolarHBondContact O-N 3.21Å; F8-I11 PolarHBondContact O-N 3.43Å; I11-V14 PolarHBondContact O-N 3.32Å; I11-L15 HydrophobicContact CG2-CD1 3.96Å; I11-L15 WeakPolarHBondContact O-CB 3.25Å; I11-L15 WeakPolarHBondContact O-CG 3.38Å; I11-L15 PolarHBondContact O-N 3.04Å
12	L	59.7	Low	54.4	Low	101 Å²	101	105.6 Å²	105.6	53%	0.529	60%	0.6	S	S	.	*	H	α-helix	trans	-65	-41.9	176.3	-145.4	81.9	0	0	0	111.4	F8 F9 L15 W16	F8-L12 WeakPolarHBondContact O-CB 3.5Å; F8-L12 PolarHBondContact O-N 3.29Å; F9-L12 PolarHBondContact O-N 2.93Å; L12-L15 PolarHBondContact O-N 3.43Å; L12-W16 WeakPolarHBondContact O-CB 3.44Å; L12-W16 PolarHBondContact O-N 2.97Å
13	L	56.8	Low	54.5	Low	109 Å²	109	106.3 Å²	106.3	57%	0.571	60%	0.598	S	S	*	*	H	α-helix	trans	-65.8	-42.2	177.9	-162.7	101.2	0	0	0	111.5	F9 S10 W16 V17	F9-L13 VanDerWaalsContact O-CB 3.3Å; F9-L13 WeakPolarHBondContact O-CB 3.15Å; F9-L13 PolarHBondContact O-N 3.19Å; S10-L13 PolarHBondContact O-N 3.35Å; L13-W16 PolarHBondContact O-N 3.48Å; L13-V17 WeakPolarHBondContact O-CB 3.44Å; L13-V17 WeakPolarHBondContact O-CG2 3.19Å; L13-V17 PolarHBondContact O-N 3.12Å
14	V	56.9	Low	55.3	Low	91 Å²	91	102.8 Å²	102.8	55%	0.552	58%	0.583	S	S	*	*	H	α-helix	trans	-63.6	-43.3	173.5	168.6	0	0	0	0	110.8	S10 I11 W16 V17 C18	S10-V14 WeakPolarHBondContact O-CB 3.22Å; S10-V14 VanDerWaalsContact O-CG2 3.3Å; S10-V14 WeakPolarHBondContact O-CG2 3.3Å; S10-V14 PolarHBondContact O-N 3.37Å; I11-V14 PolarHBondContact O-N 3.32Å; V14-W16 VanDerWaalsContact C-N 3.32Å; V14-W16 PolarHBondContact O-N 3.29Å; V14-V17 PolarHBondContact O-N 2.88Å; V14-C18 WeakPolarHBondContact O-CB 3.4Å; V14-C18 PolarHBondContact O-N 3.27Å; V14-C18 PolarHBondContact O-SG 2.93Å
15	L	53.2	Low	56.4	Low	108 Å²	108	99.9 Å²	99.9	57%	0.565	57%	0.574	S	S	*	*	H	α-helix	trans	-62.7	-36.8	173.9	-79.2	166	0	0	0	112.5	I11 L12 A19	I11-L15 HydrophobicContact CG2-CD1 3.96Å; I11-L15 WeakPolarHBondContact O-CB 3.25Å; I11-L15 WeakPolarHBondContact O-CG 3.38Å; I11-L15 PolarHBondContact O-N 3.04Å; L12-L15 PolarHBondContact O-N 3.43Å; L15-A19 WeakPolarHBondContact O-CB 3.19Å; L15-A19 PolarHBondContact O-N 2.9Å
16	W	50.7	Low	57.5	Low	182 Å²	182	96 Å²	96	69%	0.689	55%	0.55	S	S	*	*	H	α-helix	trans	-69.8	-42.1	176.9	-136.1	56	0	0	0	111.9	L12 L13 V14 A19 F20	L12-W16 WeakPolarHBondContact O-CB 3.44Å; L12-W16 PolarHBondContact O-N 2.97Å; L13-W16 PolarHBondContact O-N 3.48Å; V14-W16 VanDerWaalsContact C-N 3.32Å; V14-W16 PolarHBondContact O-N 3.29Å; W16-A19 PolarHBondContact O-N 3.33Å; W16-F20 HydrophobicContact CD2-CD2 4.4Å; W16-F20 HydrophobicContact CD2-CE2 4.47Å; W16-F20 HydrophobicContact CZ2-CE2 4.36Å; W16-F20 PolarHBondContact O-N 3.17Å
17	V	52.2	Low	59.1	Low	98 Å²	98	94.2 Å²	94.2	59%	0.594	54%	0.538	S	S	*	.	H	α-helix	trans	-64.7	-39.5	174.1	169.6	0	0	0	0	111.3	L13 V14 F20 G21	L13-V17 WeakPolarHBondContact O-CB 3.44Å; L13-V17 WeakPolarHBondContact O-CG2 3.19Å; L13-V17 PolarHBondContact O-N 3.12Å; V14-V17 PolarHBondContact O-N 2.88Å; V17-F20 CarbonylContact O-C 3.56Å; V17-G21 PolarHBondContact O-N 2.63Å
18	C	44.3	Very low	60.5	Low	97 Å²	97	88.8 Å²	88.8	66%	0.655	51%	0.51	S	S	*	.	H	α-helix	trans	-69.3	-34.4	173.5	-71.2	0	0	0	0	113	V14	V14-C18 WeakPolarHBondContact O-CB 3.4Å; V14-C18 PolarHBondContact O-N 3.27Å; V14-C18 PolarHBondContact O-SG 2.93Å
19	A	41.7	Very low	61.8	Low	78 Å²	78	81.9 Å²	81.9	65%	0.645	48%	0.48	S	S	*	.	H	α-helix	trans	-73	-26.6	176.6	0	0	0	0	0	113.3	L15 W16	L15-A19 WeakPolarHBondContact O-CB 3.19Å; L15-A19 PolarHBondContact O-N 2.9Å; W16-A19 PolarHBondContact O-N 3.33Å
20	F	40	Very low	63.3	Low	154 Å²	154	75.1 Å²	75.1	68%	0.675	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106	26.3	175.6	-76.2	-79.1	0	0	0	113.5	W16 V17 G22	W16-F20 HydrophobicContact CD2-CD2 4.4Å; W16-F20 HydrophobicContact CD2-CE2 4.47Å; W16-F20 HydrophobicContact CZ2-CE2 4.36Å; W16-F20 PolarHBondContact O-N 3.17Å; V17-F20 CarbonylContact O-C 3.56Å; F20-G22 VanDerWaalsContact C-N 3.27Å; F20-G22 PolarHBondContact O-N 3.16Å
21	G	38.6	Very low	64.9	Low	61 Å²	61	71.7 Å²	71.7	63%	0.629	43%	0.426	S	S	*	.			trans	-68	80.9	168	0	0	0	0	0	111.6	V17	V17-G21 PolarHBondContact O-N 2.63Å
22	G	47.3	Very low	66.2	Low	69 Å²	69	67.6 Å²	67.6	71%	0.711	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-60.7	135.6	179.8	0	0	0	0	0	112.5	F20	F20-G22 VanDerWaalsContact C-N 3.27Å; F20-G22 PolarHBondContact O-N 3.16Å
23	S	58.5	Low	67.8	Low	60 Å²	60	64.4 Å²	64.4	42%	0.42	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-53.2	137.5	-177.9	-50.3	0	0	0	0	111.9	S25 S53	S23-S25 PolarHBondContact O-N 2.69Å; S23-S53 WeakPolarHBondContact CB-O 3.34Å; S23-S53 PolarHBondContact OG-O 3.36Å
24	P	68.8	Low	69.2	Low	71 Å²	71	68.2 Å²	68.2	46%	0.461	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-53.4	129.8	-179.3	19.4	-32.7	0	0	0	112	E54 F55 R56	P24-E54 VanDerWaalsContact CD-O 3.26Å; P24-E54 WeakPolarHBondContact CD-O 3.5Å; P24-E54 WeakPolarHBondContact CG-O 3.48Å; P24-F55 HydrophobicContact CG-CB 4.14Å; P24-F55 VanDerWaalsContact O-CA 3.32Å; P24-F55 WeakPolarHBondContact O-CA 3.39Å; P24-F55 WeakPolarHBondContact O-CB 3.48Å; P24-R56 PolarHBondContact O-N 2.94Å
25	S	80.3	Confident	70.4	Confident	65 Å²	65	66.5 Å²	66.5	46%	0.455	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	119.5	-175.2	-167.1	0	0	0	0	110.7	S23 R56 T58	S23-S25 PolarHBondContact O-N 2.69Å; S25-R56 CarbonylContact C-O 3.56Å; S25-R56 WeakPolarHBondContact CA-O 3.47Å; S25-T58 WeakPolarHBondContact OG-CG2 3.37Å; S25-T58 PolarHBondContact OG-OG1 3.41Å
26	V	85	Confident	72.1	Confident	1 Å²	1	61.8 Å²	61.8	1%	0.006	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	102.3	-178.6	-178	0	0	0	0	108.6	I28 F55 R56 L57 T58 Y85 F309 F319	V26-I28 HydrophobicContact CG1-CG2 4.31Å; V26-I28 PolarHBondContact O-N 3.3Å; V26-F55 HydrophobicContact CG2-CB 4.44Å; V26-F55 HydrophobicContact CG2-CD2 4.14Å; V26-R56 PolarHBondContact N-O 2.91Å; V26-L57 HydrophobicContact CB-CD2 4.1Å; V26-L57 HydrophobicContact CG1-CD2 4.14Å; V26-L57 WeakPolarHBondContact O-CA 3.49Å; V26-T58 PolarHBondContact O-N 3.45Å; V26-T58 PolarHBondContact O-OG1 2.99Å; V26-Y85 HydrophobicContact CB-CD2 4.5Å; V26-Y85 HydrophobicContact CG1-CD2 3.77Å; V26-Y85 HydrophobicContact CG1-CG 4.08Å; V26-F309 HydrophobicContact CG1-CD1 4.07Å; V26-F309 HydrophobicContact CG1-CD2 4.14Å; V26-F309 HydrophobicContact CG1-CE1 3.84Å; V26-F309 HydrophobicContact CG1-CE2 3.91Å; V26-F309 HydrophobicContact CG1-CG 4.23Å; V26-F309 HydrophobicContact CG1-CZ 3.76Å; V26-F319 HydrophobicContact CG2-CE2 4.15Å; V26-F319 HydrophobicContact CG2-CZ 4.37Å
27	Q	89.2	Confident	73.9	Confident	71 Å²	71	57.2 Å²	57.2	33%	0.332	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	126.2	176.6	-69.4	172.1	-28.3	0	0	111	T58 R82 V84 Y85	Q27-T58 WeakPolarHBondContact CA-O 3.44Å; Q27-R82 PolarHBondContact OE1-O 2.86Å; Q27-V84 HydrophobicContact CB-CG1 4.33Å; Q27-Y85 HydrophobicContact CB-CD2 4.34Å; Q27-Y85 WeakPolarHBondContact O-CD2 3.5Å; Q27-Y85 PolarHBondContact O-N 2.87Å
28	I	92.3	Very high	75.7	Confident	1 Å²	1	53 Å²	53	1%	0.005	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	143.9	175.9	61.9	177.1	0	0	0	110.4	V26 F43 M47 L57 T58 P59 H60 A86 M305 F309	V26-I28 HydrophobicContact CG1-CG2 4.31Å; V26-I28 PolarHBondContact O-N 3.3Å; I28-F43 HydrophobicContact CD1-CZ 4.19Å; I28-M47 HydrophobicContact CD1-SD 4.24Å; I28-L57 HydrophobicContact CD1-CB 4.18Å; I28-L57 HydrophobicContact CD1-CD1 4.43Å; I28-L57 HydrophobicContact CG2-CD2 4.3Å; I28-T58 PolarHBondContact N-O 3.48Å; I28-P59 HydrophobicContact CD1-CB 4.32Å; I28-P59 HydrophobicContact CG1-CB 3.99Å; I28-P59 CarbonylContact O-C 3.54Å; I28-P59 WeakPolarHBondContact O-CA 3.17Å; I28-H60 PolarHBondContact O-N 3.01Å; I28-A86 CarbonylContact C-O 3.49Å; I28-A86 WeakPolarHBondContact CA-O 3.28Å; I28-A86 HydrophobicContact CG2-CB 4.44Å; I28-M305 HydrophobicContact CB-CE 4.15Å; I28-M305 HydrophobicContact CD1-CE 3.8Å; I28-M305 HydrophobicContact CG2-CE 3.92Å; I28-F309 HydrophobicContact CG2-CE2 4.32Å
29	G	93.4	Very high	78	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	147.6	172.3	0	0	0	0	0	111.4	Q79 A86 I87 F88	G29-Q79 VanDerWaalsContact CA-OE1 3.24Å; G29-A86 PolarHBondContact N-O 3.01Å; G29-I87 WeakPolarHBondContact O-CA 3.4Å; G29-F88 PolarHBondContact O-N 3.23Å
30	G	94.1	Very high	80.5	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	110.3	174.4	0	0	0	0	0	111.3	H60 I61 D62 F88	G30-H60 PolarHBondContact N-O 3.01Å; G30-I61 WeakPolarHBondContact O-CA 3.26Å; G30-D62 PolarHBondContact O-N 2.97Å; G30-F88 CarbonylContact C-O 3.57Å; G30-F88 VanDerWaalsContact CA-O 3.29Å; G30-F88 WeakPolarHBondContact CA-O 3.4Å
31	L	94.4	Very high	83	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	104.6	177.9	-82.9	62.9	0	0	0	109.7	L64 Q79 I87 F88 G89 F90	L31-L64 HydrophobicContact CB-CD2 4.21Å; L31-L64 HydrophobicContact CD2-CD2 3.98Å; L31-L64 HydrophobicContact CG-CD2 3.77Å; L31-Q79 HydrophobicContact CD1-CG 4.13Å; L31-I87 HydrophobicContact CD1-CG2 3.73Å; L31-F88 PolarHBondContact N-O 3.35Å; L31-G89 WeakPolarHBondContact O-CA 3.49Å; L31-F90 PolarHBondContact O-N 2.77Å
32	F	93.6	Very high	85.6	Confident	2 Å²	2	38.5 Å²	38.5	1%	0.009	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	137.2	-176.1	-74.9	-97.8	0	0	0	111.9	Y40 F43 I61 D62 L64 F88 F90	F32-Y40 HydrophobicContact CD1-CD2 4.09Å; F32-Y40 HydrophobicContact CD2-CD2 4.22Å; F32-Y40 AromaticContact CE1-CD2 3.97Å; F32-Y40 HydrophobicContact CE1-CD2 3.97Å; F32-Y40 HydrophobicContact CE2-CD2 4.11Å; F32-Y40 HydrophobicContact CG-CD2 4.21Å; F32-Y40 AromaticContact CZ-CD2 3.98Å; F32-Y40 HydrophobicContact CZ-CD2 3.98Å; F32-F43 HydrophobicContact CE1-CB 4.28Å; F32-F43 HydrophobicContact CZ-CB 3.9Å; F32-F43 HydrophobicContact CZ-CD1 4.1Å; F32-F43 AromaticContact CZ-CD2 3.97Å; F32-F43 HydrophobicContact CZ-CD2 3.97Å; F32-F43 AromaticContact CZ-CG 3.73Å; F32-F43 HydrophobicContact CZ-CG 3.73Å; F32-I61 HydrophobicContact CD2-CD1 4.32Å; F32-I61 HydrophobicContact CD2-CG2 4.04Å; F32-I61 HydrophobicContact CE2-CD1 3.89Å; F32-D62 PolarHBondContact N-O 3.48Å; F32-D62 VanDerWaalsContact N-O 3.11Å; F32-L64 PolarHBondContact O-N 3.39Å; F32-F88 HydrophobicContact CE1-CD1 4.47Å; F32-F88 AromaticContact CE1-CE1 3.93Å; F32-F88 HydrophobicContact CE1-CE1 3.93Å; F32-F88 HydrophobicContact CE2-CD1 4.04Å; F32-F88 HydrophobicContact CE2-CE1 4.31Å; F32-F88 AromaticContact CZ-CD1 3.7Å; F32-F88 HydrophobicContact CZ-CD1 3.7Å; F32-F88 AromaticContact CZ-CE1 3.58Å; F32-F88 HydrophobicContact CZ-CE1 3.58Å; F32-F90 HydrophobicContact CD1-CE2 4.08Å; F32-F90 HydrophobicContact CE1-CE2 4.17Å
33	P	91.8	Very high	87.8	Confident	33 Å²	33	35.4 Å²	35.4	21%	0.214	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	145.1	168.2	-8.2	17.7	0	0	0	111.4	G35 A36 V66 F90	P33-G35 PolarHBondContact O-N 3.03Å; P33-A36 HydrophobicContact CB-CB 4.02Å; P33-A36 HydrophobicContact CG-CB 3.78Å; P33-A36 WeakPolarHBondContact O-CB 3.43Å; P33-A36 PolarHBondContact O-N 3.09Å; P33-V66 HydrophobicContact CB-CG2 3.83Å; P33-V66 HydrophobicContact CG-CG2 3.87Å; P33-F90 VanDerWaalsContact CD-CD2 3.45Å; P33-F90 HydrophobicContact CG-CB 3.8Å; P33-F90 HydrophobicContact CG-CD1 4.18Å; P33-F90 HydrophobicContact CG-CD2 4.07Å; P33-F90 HydrophobicContact CG-CG 3.77Å
34	R	86.4	Confident	89.4	Confident	190 Å²	190	35.7 Å²	35.7	72%	0.717	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	122.1	164.1	-66.1	177.4	177	178.4	-2.5	109.5	L64	R34-L64 PolarHBondContact N-O 2.88Å
35	G	82.6	Confident	90.5	Very high	55 Å²	55	32.9 Å²	32.9	57%	0.567	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	95.5	-1.1	-176.1	0	0	0	0	0	115.4	P33 D37	P33-G35 PolarHBondContact O-N 3.03Å; G35-D37 PolarHBondContact O-N 2.89Å; G35-D37 VanDerWaalsContact O-N 3.07Å
36	A	87.9	Confident	91	Very high	9 Å²	9	29.8 Å²	29.8	7%	0.074	15%	0.148	C	C	.	.			trans	-83.6	47.2	172.8	0	0	0	0	0	111.9	P33 E39 Y40	P33-A36 HydrophobicContact CB-CB 4.02Å; P33-A36 HydrophobicContact CG-CB 3.78Å; P33-A36 WeakPolarHBondContact O-CB 3.43Å; P33-A36 PolarHBondContact O-N 3.09Å; A36-E39 WeakPolarHBondContact CA-OE2 3.4Å; A36-E39 HydrophobicContact CB-CB 4.29Å; A36-E39 PolarHBondContact O-N 3.18Å; A36-Y40 WeakPolarHBondContact O-CB 3.25Å; A36-Y40 PolarHBondContact O-N 3.22Å
37	D	89.4	Confident	91.2	Very high	85 Å²	85	31.4 Å²	31.4	46%	0.455	16%	0.156	S	C	.	.	H	α-helix	trans	-75.5	-30.1	-166.1	-58.7	-43.6	0	0	0	112.3	G35 S41 P285	G35-D37 PolarHBondContact O-N 2.89Å; G35-D37 VanDerWaalsContact O-N 3.07Å; D37-S41 WeakPolarHBondContact O-CB 3.4Å; D37-S41 PolarHBondContact O-N 3.12Å; D37-S41 PolarHBondContact O-OG 2.96Å; D37-P285 HydrophobicContact CB-CB 4.27Å; D37-P285 HydrophobicContact CB-CG 4.03Å
38	Q	91.1	Very high	91.2	Very high	9 Å²	9	32.7 Å²	32.7	4%	0.042	17%	0.168	C	C	.	.	H	α-helix	trans	-72.2	-41.6	173.2	-160.1	-163	63.8	0	0	110.8	S41 A42 W276 G286 S289 K290 R292 S295	Q38-S41 WeakPolarHBondContact O-CB 3.43Å; Q38-S41 PolarHBondContact O-N 3.41Å; Q38-A42 PolarHBondContact O-N 3.31Å; Q38-W276 HydrophobicContact CG-CH2 3.6Å; Q38-W276 HydrophobicContact CG-CZ2 3.47Å; Q38-W276 VanDerWaalsContact CG-CZ2 3.47Å; Q38-G286 PolarHBondContact NE2-O 2.95Å; Q38-G286 VanDerWaalsContact NE2-O 3.12Å; Q38-S289 PolarHBondContact NE2-OG 3.11Å; Q38-K290 PolarHBondContact NE2-O 3.39Å; Q38-K290 VanDerWaalsContact NE2-O 3.14Å; Q38-R292 VanDerWaalsContact OE1-CB 3.28Å; Q38-R292 VanDerWaalsContact OE1-CG 3.25Å; Q38-S295 PolarHBondContact OE1-OG 3.44Å
39	E	92.4	Very high	91.1	Very high	11 Å²	11	36.9 Å²	36.9	5%	0.051	19%	0.188	C	C	.	.	H	α-helix	trans	-63.8	-41.8	177.1	-67.2	75.9	-177.1	0	0	111	A36 A42 F43 F90 R292 T294 S295 T298	A36-E39 WeakPolarHBondContact CA-OE2 3.4Å; A36-E39 HydrophobicContact CB-CB 4.29Å; A36-E39 PolarHBondContact O-N 3.18Å; E39-A42 PolarHBondContact O-N 2.64Å; E39-F43 PolarHBondContact O-N 3.16Å; E39-F90 HydrophobicContact CB-CE2 4.48Å; E39-F90 HydrophobicContact CB-CZ 3.88Å; E39-F90 HydrophobicContact CG-CE1 4.34Å; E39-F90 HydrophobicContact CG-CZ 3.84Å; E39-R292 IonicContact OE1-NH1 3.2Å; E39-T294 WeakPolarHBondContact OE1-CB 3.35Å; E39-T294 PolarHBondContact OE1-OG1 3.45Å; E39-S295 PolarHBondContact N-OG 2.89Å; E39-T298 VanDerWaalsContact O-CG2 3.27Å; E39-T298 WeakPolarHBondContact O-CG2 3.39Å
40	Y	93.1	Very high	90.8	Very high	74 Å²	74	38.5 Å²	38.5	29%	0.29	20%	0.195	S	C	.	.	H	α-helix	trans	-65.4	-37.5	173.6	-177	-112.2	0	0	0	112.7	F32 A36 F43 R44 I61	F32-Y40 HydrophobicContact CD1-CD2 4.09Å; F32-Y40 HydrophobicContact CD2-CD2 4.22Å; F32-Y40 AromaticContact CE1-CD2 3.97Å; F32-Y40 HydrophobicContact CE1-CD2 3.97Å; F32-Y40 HydrophobicContact CE2-CD2 4.11Å; F32-Y40 HydrophobicContact CG-CD2 4.21Å; F32-Y40 AromaticContact CZ-CD2 3.98Å; F32-Y40 HydrophobicContact CZ-CD2 3.98Å; A36-Y40 WeakPolarHBondContact O-CB 3.25Å; A36-Y40 PolarHBondContact O-N 3.22Å; Y40-F43 WeakPolarHBondContact O-CB 3.34Å; Y40-F43 PolarHBondContact O-N 3.18Å; Y40-R44 HydrophobicContact CE1-CG 4.2Å; Y40-R44 HydrophobicContact CE2-CG 4.49Å; Y40-R44 PolarHBondContact O-N 2.76Å; Y40-I61 HydrophobicContact CD2-CG2 4.48Å; Y40-I61 HydrophobicContact CE2-CB 4.49Å; Y40-I61 HydrophobicContact CE2-CD1 3.91Å; Y40-I61 HydrophobicContact CE2-CG1 3.86Å; Y40-I61 HydrophobicContact CE2-CG2 3.89Å
41	S	92.8	Very high	90.3	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.007	22%	0.223	C	C	.	.	H	α-helix	trans	-63.3	-44.5	173	-66	0	0	0	0	111.9	D37 Q38 F43 R44 I45 P285	D37-S41 WeakPolarHBondContact O-CB 3.4Å; D37-S41 PolarHBondContact O-N 3.12Å; D37-S41 PolarHBondContact O-OG 2.96Å; Q38-S41 WeakPolarHBondContact O-CB 3.43Å; Q38-S41 PolarHBondContact O-N 3.41Å; S41-F43 PolarHBondContact O-N 2.98Å; S41-R44 PolarHBondContact O-N 3.48Å; S41-I45 WeakPolarHBondContact O-CD1 3.29Å; S41-I45 WeakPolarHBondContact O-CG1 3.45Å; S41-I45 PolarHBondContact O-N 3.32Å; S41-P285 WeakPolarHBondContact OG-CD 3.48Å; S41-P285 PolarHBondContact OG-O 3.31Å
42	A	92.8	Very high	89.5	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-62.6	-39.9	174.4	0	0	0	0	0	112.5	Q38 E39 I45 G46 W276 I291 S295	Q38-A42 PolarHBondContact O-N 3.31Å; E39-A42 PolarHBondContact O-N 2.64Å; A42-I45 PolarHBondContact O-N 2.6Å; A42-G46 PolarHBondContact O-N 3.36Å; A42-W276 HydrophobicContact CB-CH2 4.48Å; A42-W276 HydrophobicContact CB-CZ3 4.13Å; A42-I291 HydrophobicContact CB-CD1 4.4Å; A42-S295 WeakPolarHBondContact CB-O 3.24Å
43	F	93.9	Very high	88.7	Confident	4 Å²	4	47.7 Å²	47.7	2%	0.018	27%	0.267	C	S	.	.	H	α-helix	trans	-58.8	-48	172.5	-177	-96.1	0	0	0	111.8	I28 F32 E39 Y40 S41 I45 G46 M47 P59 I61 F88 T298 V302	I28-F43 HydrophobicContact CD1-CZ 4.19Å; F32-F43 HydrophobicContact CE1-CB 4.28Å; F32-F43 HydrophobicContact CZ-CB 3.9Å; F32-F43 HydrophobicContact CZ-CD1 4.1Å; F32-F43 AromaticContact CZ-CD2 3.97Å; F32-F43 HydrophobicContact CZ-CD2 3.97Å; F32-F43 AromaticContact CZ-CG 3.73Å; F32-F43 HydrophobicContact CZ-CG 3.73Å; E39-F43 PolarHBondContact O-N 3.16Å; Y40-F43 WeakPolarHBondContact O-CB 3.34Å; Y40-F43 PolarHBondContact O-N 3.18Å; S41-F43 PolarHBondContact O-N 2.98Å; F43-I45 VanDerWaalsContact C-N 3.31Å; F43-I45 PolarHBondContact O-N 3.13Å; F43-G46 PolarHBondContact O-N 3.03Å; F43-M47 HydrophobicContact CD1-CG 4.1Å; F43-M47 HydrophobicContact CE1-CG 3.83Å; F43-M47 HydrophobicContact CE1-SD 4.3Å; F43-M47 HydrophobicContact CZ-CG 4.1Å; F43-M47 HydrophobicContact CZ-SD 4.08Å; F43-M47 WeakPolarHBondContact O-CB 3.39Å; F43-M47 WeakPolarHBondContact O-CG 3.47Å; F43-M47 PolarHBondContact O-N 2.83Å; F43-P59 HydrophobicContact CE1-CB 3.91Å; F43-P59 HydrophobicContact CE1-CG 4.24Å; F43-P59 HydrophobicContact CZ-CB 4.13Å; F43-I61 HydrophobicContact CE1-CD1 4.02Å; F43-F88 AromaticContact CD2-CD1 3.97Å; F43-F88 HydrophobicContact CD2-CD1 3.97Å; F43-F88 HydrophobicContact CD2-CE1 4.18Å; F43-F88 HydrophobicContact CD2-CG 4.48Å; F43-F88 HydrophobicContact CE2-CB 4.34Å; F43-F88 AromaticContact CE2-CD1 3.94Å; F43-F88 HydrophobicContact CE2-CD1 3.94Å; F43-F88 HydrophobicContact CE2-CG 4.15Å; F43-T298 HydrophobicContact CB-CG2 3.75Å; F43-T298 HydrophobicContact CD2-CG2 4.3Å; F43-V302 HydrophobicContact CD2-CG2 3.46Å; F43-V302 VanDerWaalsContact CD2-CG2 3.46Å; F43-V302 HydrophobicContact CE2-CG2 3.67Å; F43-V302 HydrophobicContact CG-CG2 4.25Å
44	R	92.4	Very high	88.1	Confident	67 Å²	67	50.1 Å²	50.1	25%	0.253	28%	0.275	S	S	.	.	H	α-helix	trans	-58.7	-40.2	176.4	-76.5	178.3	61	-142.8	-3.6	112.4	Y40 S41 V48 E283 Y284	Y40-R44 HydrophobicContact CE1-CG 4.2Å; Y40-R44 HydrophobicContact CE2-CG 4.49Å; Y40-R44 PolarHBondContact O-N 2.76Å; S41-R44 PolarHBondContact O-N 3.48Å; R44-V48 PolarHBondContact O-N 3.27Å; R44-E283 IonicContact CZ-OE1 3.24Å; R44-E283 PolarHBondContact NH1-O 3.48Å; R44-E283 IonicContact NH2-OE1 3.76Å; R44-E283 PolarHBondContact NH2-OE1 3.29Å; R44-Y284 HydrophobicContact CB-CE1 4.02Å
45	I	91.5	Very high	87.9	Confident	11 Å²	11	41.3 Å²	41.3	6%	0.056	24%	0.243	C	C	.	.	H	α-helix	trans	-69.3	-44.4	178.6	-65.4	157.1	0	0	0	111	S41 A42 F43 M47 V48 Q49 F272 W276 L279 Y284 Y299	S41-I45 WeakPolarHBondContact O-CD1 3.29Å; S41-I45 WeakPolarHBondContact O-CG1 3.45Å; S41-I45 PolarHBondContact O-N 3.32Å; A42-I45 PolarHBondContact O-N 2.6Å; F43-I45 VanDerWaalsContact C-N 3.31Å; F43-I45 PolarHBondContact O-N 3.13Å; I45-M47 VanDerWaalsContact C-N 3.29Å; I45-M47 PolarHBondContact O-N 3.22Å; I45-V48 PolarHBondContact O-N 3.23Å; I45-V48 VanDerWaalsContact O-N 3.12Å; I45-Q49 WeakPolarHBondContact O-CB 3.36Å; I45-Q49 PolarHBondContact O-N 3.31Å; I45-F272 HydrophobicContact CG2-CE2 4.22Å; I45-W276 HydrophobicContact CD1-CE3 3.63Å; I45-W276 HydrophobicContact CD1-CZ3 3.51Å; I45-L279 HydrophobicContact CD1-CD1 3.37Å; I45-L279 HydrophobicContact CG1-CD1 4.14Å; I45-Y284 HydrophobicContact CD1-CD1 4.03Å; I45-Y284 HydrophobicContact CD1-CE1 4.2Å; I45-Y284 HydrophobicContact CG1-CD1 4.01Å; I45-Y284 HydrophobicContact CG1-CE1 3.66Å; I45-Y299 HydrophobicContact CG2-CE2 4.33Å
46	G	90.6	Very high	88.1	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-57.6	-42.3	175	0	0	0	0	0	112.2	A42 F43 V48 Q49 F50	A42-G46 PolarHBondContact O-N 3.36Å; F43-G46 PolarHBondContact O-N 3.03Å; G46-V48 VanDerWaalsContact C-N 3.26Å; G46-V48 PolarHBondContact O-N 3.12Å; G46-Q49 PolarHBondContact O-N 2.95Å; G46-F50 WeakPolarHBondContact O-CD2 3.43Å; G46-F50 PolarHBondContact O-N 2.69Å
47	M	89.3	Confident	88.1	Confident	36 Å²	36	47.4 Å²	47.4	18%	0.177	25%	0.248	C	C	.	.	H	α-helix	trans	-62.8	-29.3	177.3	-72.1	-74.5	-62.1	0	0	113.6	I28 F43 I45 L57 P59 V302	I28-M47 HydrophobicContact CD1-SD 4.24Å; F43-M47 HydrophobicContact CD1-CG 4.1Å; F43-M47 HydrophobicContact CE1-CG 3.83Å; F43-M47 HydrophobicContact CE1-SD 4.3Å; F43-M47 HydrophobicContact CZ-CG 4.1Å; F43-M47 HydrophobicContact CZ-SD 4.08Å; F43-M47 WeakPolarHBondContact O-CB 3.39Å; F43-M47 WeakPolarHBondContact O-CG 3.47Å; F43-M47 PolarHBondContact O-N 2.83Å; I45-M47 VanDerWaalsContact C-N 3.29Å; I45-M47 PolarHBondContact O-N 3.22Å; M47-L57 HydrophobicContact CE-CB 3.46Å; M47-L57 VanDerWaalsContact CE-CB 3.46Å; M47-L57 WeakPolarHBondContact CE-O 3.27Å; M47-L57 HydrophobicContact SD-CB 3.92Å; M47-L57 HydrophobicContact SD-CD1 3.85Å; M47-P59 HydrophobicContact CE-CB 4.45Å; M47-P59 HydrophobicContact CE-CG 3.86Å; M47-V302 HydrophobicContact CG-CG1 4.04Å; M47-V302 HydrophobicContact CG-CG2 4.38Å; M47-V302 HydrophobicContact SD-CG1 3.81Å
48	V	89.5	Confident	88.1	Confident	98 Å²	98	45.1 Å²	45.1	59%	0.594	24%	0.237	S	C	*	.	H	α-helix	trans	-81.9	-41.4	172.6	173.9	0	0	0	0	111.1	R44 I45 G46	R44-V48 PolarHBondContact O-N 3.27Å; I45-V48 PolarHBondContact O-N 3.23Å; I45-V48 VanDerWaalsContact O-N 3.12Å; G46-V48 VanDerWaalsContact C-N 3.26Å; G46-V48 PolarHBondContact O-N 3.12Å
49	Q	89.6	Confident	88.1	Confident	88 Å²	88	47.1 Å²	47.1	41%	0.411	25%	0.25	S	S	.	.	H	α-helix	trans	-73.2	-33.7	-173.2	-179.5	56.6	24.3	0	0	113.8	I45 G46 Y299	I45-Q49 WeakPolarHBondContact O-CB 3.36Å; I45-Q49 PolarHBondContact O-N 3.31Å; G46-Q49 PolarHBondContact O-N 2.95Å; Q49-Y299 HydrophobicContact CB-CE2 4.32Å; Q49-Y299 HydrophobicContact CG-CE2 4.39Å; Q49-Y299 WeakPolarHBondContact CG-OH 3.39Å
50	F	88.4	Confident	88.2	Confident	34 Å²	34	49.2 Å²	49.2	15%	0.149	26%	0.26	C	S	.	.	S	Bend	trans	-101.1	-2.6	-179.4	-57.1	-61	0	0	0	113.7	G46 Y299 V302 Q303 T306	G46-F50 WeakPolarHBondContact O-CD2 3.43Å; G46-F50 PolarHBondContact O-N 2.69Å; F50-Y299 HydrophobicContact CE2-CD1 4.24Å; F50-Y299 HydrophobicContact CE2-CD2 4.23Å; F50-Y299 AromaticContact CE2-CE1 3.81Å; F50-Y299 HydrophobicContact CE2-CE1 3.81Å; F50-Y299 AromaticContact CE2-CE2 3.78Å; F50-Y299 HydrophobicContact CE2-CE2 3.78Å; F50-Y299 HydrophobicContact CE2-CG 4.45Å; F50-Y299 AromaticContact CE2-CZ 3.57Å; F50-Y299 HydrophobicContact CZ-CD1 4.4Å; F50-Y299 AromaticContact CZ-CE1 3.6Å; F50-Y299 HydrophobicContact CZ-CE1 3.6Å; F50-Y299 HydrophobicContact CZ-CE2 4.13Å; F50-Y299 AromaticContact CZ-CZ 3.45Å; F50-Y299 VanDerWaalsContact CZ-CZ 3.45Å; F50-Y299 WeakPolarHBondContact CZ-OH 3.2Å; F50-V302 HydrophobicContact CD2-CB 4.43Å; F50-V302 HydrophobicContact CD2-CG1 4.3Å; F50-Q303 HydrophobicContact CD1-CB 4.38Å; F50-Q303 HydrophobicContact CD1-CG 4.06Å; F50-Q303 HydrophobicContact CD2-CB 3.97Å; F50-Q303 HydrophobicContact CE1-CB 4.03Å; F50-Q303 HydrophobicContact CE1-CG 3.63Å; F50-Q303 HydrophobicContact CE2-CB 3.59Å; F50-Q303 HydrophobicContact CE2-CG 4.16Å; F50-Q303 HydrophobicContact CG-CB 4.36Å; F50-Q303 HydrophobicContact CG-CG 4.49Å; F50-Q303 HydrophobicContact CZ-CB 3.62Å; F50-Q303 HydrophobicContact CZ-CG 3.69Å; F50-T306 HydrophobicContact CB-CG2 4.23Å; F50-T306 WeakPolarHBondContact O-CG2 3.36Å
51	G	82.4	Confident	88.2	Confident	57 Å²	57	47.9 Å²	47.9	59%	0.588	26%	0.257	S	S	*	.			trans	-56.1	142.6	-180	0	0	0	0	0	113.3
52	T	78.8	Confident	88.2	Confident	34 Å²	34	49.2 Å²	49.2	21%	0.209	26%	0.264	C	S	.	.			trans	-122.8	162.7	-176	81.5	0	0	0	0	112.4	E54 F55 T306	T52-E54 PolarHBondContact OG1-N 3.44Å; T52-F55 HydrophobicContact CG2-CE1 4.35Å; T52-F55 HydrophobicContact CG2-CZ 4.43Å; T52-F55 PolarHBondContact OG1-N 3.06Å; T52-F55 PolarHBondContact OG1-O 3.09Å; T52-T306 HydrophobicContact CG2-CG2 4.3Å
53	S	76.6	Confident	88.1	Confident	105 Å²	105	53.7 Å²	53.7	73%	0.734	29%	0.288	S	S	*	.	S	Bend	trans	-79.1	-23.2	165.3	48.8	0	0	0	0	113.3	S23	S23-S53 WeakPolarHBondContact CB-O 3.34Å; S23-S53 PolarHBondContact OG-O 3.36Å
54	E	77.9	Confident	87.9	Confident	84 Å²	84	53.9 Å²	53.9	39%	0.393	29%	0.289	S	S	.	.	S	Bend	trans	-68	-46.3	-178.4	-60.6	180	156.7	0	0	111.6	P24 T52	P24-E54 VanDerWaalsContact CD-O 3.26Å; P24-E54 WeakPolarHBondContact CD-O 3.5Å; P24-E54 WeakPolarHBondContact CG-O 3.48Å; T52-E54 PolarHBondContact OG1-N 3.44Å
55	F	83.3	Confident	87.8	Confident	6 Å²	6	55.9 Å²	55.9	3%	0.026	30%	0.302	C	S	.	.			trans	-152.4	153.4	177.5	64.1	-84	0	0	0	110.8	P24 V26 T52 L57 T306 F309 R310	P24-F55 HydrophobicContact CG-CB 4.14Å; P24-F55 VanDerWaalsContact O-CA 3.32Å; P24-F55 WeakPolarHBondContact O-CA 3.39Å; P24-F55 WeakPolarHBondContact O-CB 3.48Å; V26-F55 HydrophobicContact CG2-CB 4.44Å; V26-F55 HydrophobicContact CG2-CD2 4.14Å; T52-F55 HydrophobicContact CG2-CE1 4.35Å; T52-F55 HydrophobicContact CG2-CZ 4.43Å; T52-F55 PolarHBondContact OG1-N 3.06Å; T52-F55 PolarHBondContact OG1-O 3.09Å; F55-L57 HydrophobicContact CE2-CD2 4.3Å; F55-L57 HydrophobicContact CE2-CG 4.45Å; F55-T306 HydrophobicContact CE2-CG2 4.4Å; F55-T306 HydrophobicContact CZ-CG2 4Å; F55-T306 WeakPolarHBondContact CZ-O 3.49Å; F55-F309 HydrophobicContact CD2-CB 4.32Å; F55-F309 HydrophobicContact CE2-CB 3.71Å; F55-F309 HydrophobicContact CZ-CB 3.91Å; F55-R310 HydrophobicContact CE1-CB 3.83Å; F55-R310 HydrophobicContact CE1-CG 4.22Å; F55-R310 HydrophobicContact CZ-CB 4.02Å
56	R	85.9	Confident	87.6	Confident	176 Å²	176	56.1 Å²	56.1	66%	0.664	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.8	123.8	178.6	-174.7	174.6	-178.8	176.5	2.1	111.1	P24 S25 V26	P24-R56 PolarHBondContact O-N 2.94Å; S25-R56 CarbonylContact C-O 3.56Å; S25-R56 WeakPolarHBondContact CA-O 3.47Å; V26-R56 PolarHBondContact N-O 2.91Å
57	L	87.9	Confident	87.3	Confident	16 Å²	16	58.1 Å²	58.1	8%	0.084	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	127.5	167.1	-62.4	177.1	0	0	0	109.4	V26 I28 M47 F55 V302 F309	V26-L57 HydrophobicContact CB-CD2 4.1Å; V26-L57 HydrophobicContact CG1-CD2 4.14Å; V26-L57 WeakPolarHBondContact O-CA 3.49Å; I28-L57 HydrophobicContact CD1-CB 4.18Å; I28-L57 HydrophobicContact CD1-CD1 4.43Å; I28-L57 HydrophobicContact CG2-CD2 4.3Å; M47-L57 HydrophobicContact CE-CB 3.46Å; M47-L57 VanDerWaalsContact CE-CB 3.46Å; M47-L57 WeakPolarHBondContact CE-O 3.27Å; M47-L57 HydrophobicContact SD-CB 3.92Å; M47-L57 HydrophobicContact SD-CD1 3.85Å; F55-L57 HydrophobicContact CE2-CD2 4.3Å; F55-L57 HydrophobicContact CE2-CG 4.45Å; L57-V302 HydrophobicContact CD1-CG1 4.43Å; L57-F309 HydrophobicContact CD2-CD2 3.8Å; L57-F309 HydrophobicContact CD2-CE2 4.17Å
58	T	90	Very high	87.4	Confident	37 Å²	37	59.6 Å²	59.6	23%	0.227	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	105.7	174.9	36.9	0	0	0	0	110.3	S25 V26 Q27 I28	S25-T58 WeakPolarHBondContact OG-CG2 3.37Å; S25-T58 PolarHBondContact OG-OG1 3.41Å; V26-T58 PolarHBondContact O-N 3.45Å; V26-T58 PolarHBondContact O-OG1 2.99Å; Q27-T58 WeakPolarHBondContact CA-O 3.44Å; I28-T58 PolarHBondContact N-O 3.48Å
59	P	92.3	Very high	87.6	Confident	50 Å²	50	56.5 Å²	56.5	33%	0.325	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	132.8	-174.1	34.4	-33.4	0	0	0	112.3	I28 F43 M47 I61	I28-P59 HydrophobicContact CD1-CB 4.32Å; I28-P59 HydrophobicContact CG1-CB 3.99Å; I28-P59 CarbonylContact O-C 3.54Å; I28-P59 WeakPolarHBondContact O-CA 3.17Å; F43-P59 HydrophobicContact CE1-CB 3.91Å; F43-P59 HydrophobicContact CE1-CG 4.24Å; F43-P59 HydrophobicContact CZ-CB 4.13Å; M47-P59 HydrophobicContact CE-CB 4.45Å; M47-P59 HydrophobicContact CE-CG 3.86Å; P59-I61 HydrophobicContact CB-CD1 3.9Å; P59-I61 HydrophobicContact CB-CG1 4.48Å
60	H	93.1	Very high	87.7	Confident	56 Å²	56	60 Å²	60	26%	0.259	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	106	167.4	-67.3	-52.4	0	0	0	108.9	I28 G30 Q79	I28-H60 PolarHBondContact O-N 3.01Å; G30-H60 PolarHBondContact N-O 3.01Å; H60-Q79 PolarHBondContact O-NE2 3.14Å
61	I	93.1	Very high	87.9	Confident	45 Å²	45	59.5 Å²	59.5	23%	0.231	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	126.3	-173	-52.4	-61.4	0	0	0	110.6	G30 F32 Y40 F43 P59 N63	G30-I61 WeakPolarHBondContact O-CA 3.26Å; F32-I61 HydrophobicContact CD2-CD1 4.32Å; F32-I61 HydrophobicContact CD2-CG2 4.04Å; F32-I61 HydrophobicContact CE2-CD1 3.89Å; Y40-I61 HydrophobicContact CD2-CG2 4.48Å; Y40-I61 HydrophobicContact CE2-CB 4.49Å; Y40-I61 HydrophobicContact CE2-CD1 3.91Å; Y40-I61 HydrophobicContact CE2-CG1 3.86Å; Y40-I61 HydrophobicContact CE2-CG2 3.89Å; F43-I61 HydrophobicContact CE1-CD1 4.02Å; P59-I61 HydrophobicContact CB-CD1 3.9Å; P59-I61 HydrophobicContact CB-CG1 4.48Å; I61-N63 WeakPolarHBondContact CG2-OD1 3.41Å
62	D	92.2	Very high	88.5	Confident	29 Å²	29	56.9 Å²	56.9	16%	0.155	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	117.3	169.4	-66.6	-41.5	0	0	0	109.5	G30 F32 C75 Q79	G30-D62 PolarHBondContact O-N 2.97Å; F32-D62 PolarHBondContact N-O 3.48Å; F32-D62 VanDerWaalsContact N-O 3.11Å; D62-C75 HydrophobicContact CB-CB 4.22Å; D62-Q79 PolarHBondContact OD2-NE2 2.95Å
63	N	91.3	Very high	89.2	Confident	94 Å²	94	57 Å²	57	50%	0.503	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	104.4	178.6	-73	3.3	0	0	0	110.5	I61	I61-N63 WeakPolarHBondContact CG2-OD1 3.41Å
64	L	90.9	Very high	89.9	Confident	8 Å²	8	57 Å²	57	4%	0.042	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	169.4	-166.6	65.8	79.8	0	0	0	113.6	L31 F32 R34 V66 V72 C75	L31-L64 HydrophobicContact CB-CD2 4.21Å; L31-L64 HydrophobicContact CD2-CD2 3.98Å; L31-L64 HydrophobicContact CG-CD2 3.77Å; F32-L64 PolarHBondContact O-N 3.39Å; R34-L64 PolarHBondContact N-O 2.88Å; L64-V66 HydrophobicContact CD1-CB 4.22Å; L64-V66 HydrophobicContact CD1-CG2 3.63Å; L64-V72 HydrophobicContact CD1-CG2 3.83Å; L64-C75 HydrophobicContact CD2-CB 3.55Å; L64-C75 VanDerWaalsContact CD2-SG 3.53Å
65	E	88.8	Confident	90.6	Very high	109 Å²	109	54 Å²	54	51%	0.509	28%	0.282	S	S	.	.			trans	-93	103.2	173.5	-173.1	-178.5	169.9	0	0	109.4	A67 N68	E65-A67 VanDerWaalsContact C-N 3.26Å; E65-A67 PolarHBondContact O-N 2.99Å; E65-N68 HydrophobicContact CB-CB 4.47Å; E65-N68 PolarHBondContact O-N 2.97Å
66	V	87.2	Confident	91.1	Very high	16 Å²	16	53.8 Å²	53.8	10%	0.097	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-24.1	-166.9	-177	0	0	0	0	113	P33 L64 N68 F90 Y91 D92 S95	P33-V66 HydrophobicContact CB-CG2 3.83Å; P33-V66 HydrophobicContact CG-CG2 3.87Å; L64-V66 HydrophobicContact CD1-CB 4.22Å; L64-V66 HydrophobicContact CD1-CG2 3.63Å; V66-N68 PolarHBondContact O-N 3.49Å; V66-F90 WeakPolarHBondContact CG1-O 3.43Å; V66-Y91 VanDerWaalsContact CG1-C 3.49Å; V66-Y91 VanDerWaalsContact CG1-CA 3.44Å; V66-D92 HydrophobicContact CG1-CB 4Å; V66-D92 VanDerWaalsContact CG1-N 3.34Å; V66-S95 WeakPolarHBondContact O-CB 3.38Å; V66-S95 PolarHBondContact O-OG 3.43Å
67	A	85.3	Confident	91.3	Very high	42 Å²	42	46.2 Å²	46.2	35%	0.347	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-19	173.4	0	0	0	0	0	113.5	E65 S69 K94	E65-A67 VanDerWaalsContact C-N 3.26Å; E65-A67 PolarHBondContact O-N 2.99Å; A67-S69 PolarHBondContact O-N 3.4Å; A67-K94 HydrophobicContact CB-CD 4.32Å
68	N	91.9	Very high	91.5	Very high	68 Å²	68	47.1 Å²	47.1	36%	0.364	26%	0.262	S	S	.	.			trans	-95.3	94.2	-178.9	-175.7	-18.7	0	0	0	110.8	E65 V66 F70 A71 V72	E65-N68 HydrophobicContact CB-CB 4.47Å; E65-N68 PolarHBondContact O-N 2.97Å; V66-N68 PolarHBondContact O-N 3.49Å; N68-F70 PolarHBondContact O-N 3.24Å; N68-F70 VanDerWaalsContact O-N 3.1Å; N68-F70 PolarHBondContact OD1-N 2.96Å; N68-F70 VanDerWaalsContact OD1-N 3.16Å; N68-A71 HydrophobicContact CB-CB 4.09Å; N68-A71 WeakPolarHBondContact O-CB 3.39Å; N68-A71 PolarHBondContact O-N 2.85Å; N68-A71 PolarHBondContact OD1-N 3.48Å; N68-V72 PolarHBondContact O-N 3.17Å; N68-V72 VanDerWaalsContact O-N 3.07Å
69	S	92.9	Very high	91.5	Very high	33 Å²	33	45.4 Å²	45.4	23%	0.231	25%	0.251	C	S	.	.	H	α-helix	trans	-58.7	-24.8	-177.4	-45.9	0	0	0	0	114.1	A67 T73 K94 S95	A67-S69 PolarHBondContact O-N 3.4Å; S69-T73 PolarHBondContact O-N 2.97Å; S69-T73 PolarHBondContact O-OG1 3.36Å; S69-K94 PolarHBondContact OG-O 3.34Å; S69-S95 WeakPolarHBondContact OG-CA 3.29Å
70	F	92.6	Very high	91.4	Very high	160 Å²	160	43.6 Å²	43.6	70%	0.702	24%	0.238	S	C	*	.	H	α-helix	trans	-72.6	-40.6	173.7	178.2	-96.7	0	0	0	112.1	N68 V72 T73 N74	N68-F70 PolarHBondContact O-N 3.24Å; N68-F70 VanDerWaalsContact O-N 3.1Å; N68-F70 PolarHBondContact OD1-N 2.96Å; N68-F70 VanDerWaalsContact OD1-N 3.16Å; F70-V72 VanDerWaalsContact C-N 3.31Å; F70-V72 PolarHBondContact O-N 3.33Å; F70-T73 PolarHBondContact O-N 2.91Å; F70-N74 PolarHBondContact O-N 3.35Å
71	A	92.4	Very high	91.1	Very high	24 Å²	24	43.6 Å²	43.6	20%	0.198	25%	0.245	C	C	.	.	H	α-helix	trans	-63	-40.6	173.2	0	0	0	0	0	111.1	N68 N74 C75	N68-A71 HydrophobicContact CB-CB 4.09Å; N68-A71 WeakPolarHBondContact O-CB 3.39Å; N68-A71 PolarHBondContact O-N 2.85Å; N68-A71 PolarHBondContact OD1-N 3.48Å; A71-N74 PolarHBondContact O-N 3.09Å; A71-C75 PolarHBondContact O-N 2.82Å; A71-C75 PolarHBondContact O-SG 2.93Å
72	V	93.8	Very high	90.8	Very high	3 Å²	3	46.9 Å²	46.9	2%	0.018	25%	0.254	C	S	.	.	H	α-helix	trans	-61.1	-47.5	174	175.9	0	0	0	0	111.5	L64 N68 F70 N74 C75 F76 I99	L64-V72 HydrophobicContact CD1-CG2 3.83Å; N68-V72 PolarHBondContact O-N 3.17Å; N68-V72 VanDerWaalsContact O-N 3.07Å; F70-V72 VanDerWaalsContact C-N 3.31Å; F70-V72 PolarHBondContact O-N 3.33Å; V72-N74 PolarHBondContact O-N 3.36Å; V72-C75 PolarHBondContact O-N 2.85Å; V72-F76 WeakPolarHBondContact O-CB 3.43Å; V72-F76 PolarHBondContact O-N 3.44Å; V72-I99 HydrophobicContact CG1-CD1 3.5Å; V72-I99 VanDerWaalsContact CG1-CD1 3.5Å; V72-I99 HydrophobicContact CG1-CG1 3.95Å
73	T	93.4	Very high	90.5	Very high	35 Å²	35	45.9 Å²	45.9	22%	0.215	25%	0.251	C	S	.	.	H	α-helix	trans	-55.9	-50.5	174.3	-64.2	0	0	0	0	111.7	S69 F70 C75 F76 C77 T98 F102	S69-T73 PolarHBondContact O-N 2.97Å; S69-T73 PolarHBondContact O-OG1 3.36Å; F70-T73 PolarHBondContact O-N 2.91Å; T73-C75 PolarHBondContact O-N 3.41Å; T73-F76 PolarHBondContact O-N 2.99Å; T73-C77 WeakPolarHBondContact O-CB 3.22Å; T73-C77 PolarHBondContact O-N 2.9Å; T73-C77 PolarHBondContact O-SG 3.03Å; T73-T98 VanDerWaalsContact OG1-CG2 3.29Å; T73-T98 WeakPolarHBondContact OG1-CG2 3.4Å; T73-F102 HydrophobicContact CG2-CE2 3.82Å; T73-F102 HydrophobicContact CG2-CZ 3.82Å
74	N	92.7	Very high	90.4	Very high	105 Å²	105	41.5 Å²	41.5	56%	0.561	23%	0.227	S	C	*	.	H	α-helix	trans	-62.5	-41.7	-177.3	-170.1	24.6	0	0	0	112.1	F70 A71 V72 C77 S78	F70-N74 PolarHBondContact O-N 3.35Å; A71-N74 PolarHBondContact O-N 3.09Å; V72-N74 PolarHBondContact O-N 3.36Å; N74-C77 PolarHBondContact O-N 2.98Å; N74-S78 WeakPolarHBondContact O-CB 3.39Å; N74-S78 PolarHBondContact O-N 3.33Å
75	C	92.3	Very high	90.3	Very high	23 Å²	23	42.3 Å²	42.3	16%	0.155	23%	0.23	C	C	.	.	H	α-helix	trans	-67.8	-42.4	176	-59.5	0	0	0	0	111.5	D62 L64 A71 V72 T73 C77 S78 Q79	D62-C75 HydrophobicContact CB-CB 4.22Å; L64-C75 HydrophobicContact CD2-CB 3.55Å; L64-C75 VanDerWaalsContact CD2-SG 3.53Å; A71-C75 PolarHBondContact O-N 2.82Å; A71-C75 PolarHBondContact O-SG 2.93Å; V72-C75 PolarHBondContact O-N 2.85Å; T73-C75 PolarHBondContact O-N 3.41Å; C75-C77 VanDerWaalsContact C-N 3.31Å; C75-C77 PolarHBondContact O-N 2.7Å; C75-S78 WeakPolarHBondContact O-CB 3.23Å; C75-S78 PolarHBondContact O-N 3.37Å; C75-Q79 VanDerWaalsContact O-CG 3.25Å; C75-Q79 WeakPolarHBondContact O-CG 3.45Å; C75-Q79 PolarHBondContact O-N 3.19Å
76	F	93.1	Very high	90.5	Very high	1 Å²	1	37.1 Å²	37.1	0%	0.004	21%	0.206	C	C	.	.	H	α-helix	trans	-57.4	-44.4	174.2	-168.5	-75	0	0	0	111.5	V72 T73 Q79 F80 I87 I99 F102 L106 V108	V72-F76 WeakPolarHBondContact O-CB 3.43Å; V72-F76 PolarHBondContact O-N 3.44Å; T73-F76 PolarHBondContact O-N 2.99Å; F76-Q79 PolarHBondContact O-N 2.93Å; F76-F80 WeakPolarHBondContact O-CB 3.2Å; F76-F80 PolarHBondContact O-N 3.43Å; F76-I87 HydrophobicContact CD2-CD1 3.96Å; F76-I87 HydrophobicContact CE2-CD1 3.76Å; F76-I87 HydrophobicContact CZ-CD1 4.14Å; F76-I99 HydrophobicContact CD2-CD1 3.98Å; F76-F102 HydrophobicContact CD1-CB 4.06Å; F76-F102 HydrophobicContact CD1-CD1 4.48Å; F76-F102 HydrophobicContact CD1-CG 4.23Å; F76-F102 HydrophobicContact CD2-CB 4.47Å; F76-F102 HydrophobicContact CE1-CB 3.76Å; F76-F102 HydrophobicContact CE1-CG 4.33Å; F76-F102 HydrophobicContact CE2-CB 4.16Å; F76-F102 HydrophobicContact CG-CB 4.43Å; F76-F102 HydrophobicContact CZ-CB 3.8Å; F76-L106 HydrophobicContact CE1-CD1 3.88Å; F76-V108 HydrophobicContact CZ-CB 4.18Å; F76-V108 HydrophobicContact CZ-CG1 4.44Å
77	C	91.2	Very high	90.8	Very high	16 Å²	16	36.4 Å²	36.4	11%	0.108	20%	0.202	C	C	.	.	H	α-helix	trans	-65.7	-42.7	176.8	-66.9	0	0	0	0	112.7	T73 N74 C75 Q79 F80 S81 C328	T73-C77 WeakPolarHBondContact O-CB 3.22Å; T73-C77 PolarHBondContact O-N 2.9Å; T73-C77 PolarHBondContact O-SG 3.03Å; N74-C77 PolarHBondContact O-N 2.98Å; C75-C77 VanDerWaalsContact C-N 3.31Å; C75-C77 PolarHBondContact O-N 2.7Å; C77-Q79 VanDerWaalsContact C-N 3.32Å; C77-Q79 PolarHBondContact O-N 3.08Å; C77-F80 PolarHBondContact O-N 2.98Å; C77-S81 WeakPolarHBondContact O-CB 3.39Å; C77-S81 PolarHBondContact O-N 3.34Å; C77-S81 PolarHBondContact O-OG 2.92Å; C77-C328 HydrophobicContact CB-CB 3.79Å; C77-C328 WeakPolarHBondContact CB-SG 3.37Å; C77-C328 WeakPolarHBondContact SG-CB 3.15Å; C77-C328 CovalentContact SG-SG 2.02Å; C77-C328 PolarHBondContact SG-SG 3.5Å
78	S	91.6	Very high	91.3	Very high	36 Å²	36	34.4 Å²	34.4	25%	0.252	19%	0.185	S	C	.	.	H	α-helix	trans	-53.6	-47.6	170.3	157.9	0	0	0	0	111.6	N74 C75 R82	N74-S78 WeakPolarHBondContact O-CB 3.39Å; N74-S78 PolarHBondContact O-N 3.33Å; C75-S78 WeakPolarHBondContact O-CB 3.23Å; C75-S78 PolarHBondContact O-N 3.37Å; S78-R82 WeakPolarHBondContact O-CD 3.45Å; S78-R82 WeakPolarHBondContact O-CG 3.36Å; S78-R82 PolarHBondContact O-N 3.13Å; S78-R82 VanDerWaalsContact O-N 3.08Å; S78-R82 PolarHBondContact OG-NE 3.49Å; S78-R82 VanDerWaalsContact OG-NE 3.14Å; S78-R82 PolarHBondContact OG-NH2 3.06Å
79	Q	90.1	Very high	91.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-68.1	-40.1	178.9	-64.5	-71	-11.7	0	0	112	G29 L31 H60 D62 C75 F76 C77 R82 G83 V84 I87	G29-Q79 VanDerWaalsContact CA-OE1 3.24Å; L31-Q79 HydrophobicContact CD1-CG 4.13Å; H60-Q79 PolarHBondContact O-NE2 3.14Å; D62-Q79 PolarHBondContact OD2-NE2 2.95Å; C75-Q79 VanDerWaalsContact O-CG 3.25Å; C75-Q79 WeakPolarHBondContact O-CG 3.45Å; C75-Q79 PolarHBondContact O-N 3.19Å; F76-Q79 PolarHBondContact O-N 2.93Å; C77-Q79 VanDerWaalsContact C-N 3.32Å; C77-Q79 PolarHBondContact O-N 3.08Å; Q79-R82 PolarHBondContact O-N 3.02Å; Q79-G83 PolarHBondContact O-N 2.92Å; Q79-V84 HydrophobicContact CB-CG2 4.1Å; Q79-V84 PolarHBondContact O-N 3.42Å; Q79-I87 HydrophobicContact CB-CD1 4.15Å
80	F	89.1	Confident	91.5	Very high	12 Å²	12	30.7 Å²	30.7	5%	0.053	16%	0.161	C	C	.	.	H	α-helix	trans	-62	-49.1	176.1	-176.2	-100.9	0	0	0	111.8	F76 C77 R82 G83 L106 V108 T325 C328	F76-F80 WeakPolarHBondContact O-CB 3.2Å; F76-F80 PolarHBondContact O-N 3.43Å; C77-F80 PolarHBondContact O-N 2.98Å; F80-R82 VanDerWaalsContact C-N 3.28Å; F80-R82 PolarHBondContact O-N 2.92Å; F80-G83 WeakPolarHBondContact O-CA 3.39Å; F80-G83 PolarHBondContact O-N 3.41Å; F80-L106 HydrophobicContact CD2-CB 4.41Å; F80-L106 HydrophobicContact CD2-CD1 4.06Å; F80-L106 HydrophobicContact CE1-CD2 4.44Å; F80-L106 HydrophobicContact CE2-CB 3.95Å; F80-L106 HydrophobicContact CE2-CD1 4.12Å; F80-L106 HydrophobicContact CE2-CD2 4.15Å; F80-L106 HydrophobicContact CE2-CG 4.3Å; F80-L106 HydrophobicContact CG-CD1 4.29Å; F80-L106 HydrophobicContact CZ-CD1 4.41Å; F80-L106 HydrophobicContact CZ-CD2 3.91Å; F80-V108 HydrophobicContact CD2-CG2 3.96Å; F80-V108 HydrophobicContact CE2-CG2 4.15Å; F80-T325 HydrophobicContact CZ-CG2 4.45Å; F80-T325 WeakPolarHBondContact O-CB 3.11Å; F80-T325 PolarHBondContact O-OG1 3.4Å; F80-C328 HydrophobicContact CD1-CB 4.11Å
81	S	86.9	Confident	91.4	Very high	57 Å²	57	23.5 Å²	23.5	40%	0.399	13%	0.13	S	C	.	.	H	α-helix	trans	-68.8	-21.4	178.2	-65.3	0	0	0	0	114	C77 G83 T325 G326	C77-S81 WeakPolarHBondContact O-CB 3.39Å; C77-S81 PolarHBondContact O-N 3.34Å; C77-S81 PolarHBondContact O-OG 2.92Å; S81-G83 VanDerWaalsContact C-N 3.28Å; S81-T325 VanDerWaalsContact CA-OG1 3.31Å; S81-T325 WeakPolarHBondContact CA-OG1 3.17Å; S81-T325 PolarHBondContact O-OG1 3.12Å; S81-G326 PolarHBondContact OG-O 3.31Å
82	R	86.6	Confident	91.3	Very high	114 Å²	114	23.4 Å²	23.4	43%	0.43	13%	0.126	S	C	.	.	H	α-helix	trans	-72.7	-17.5	166.5	-72.3	167.8	-159.6	-138	11.8	113.5	Q27 S78 Q79 F80 V84	Q27-R82 PolarHBondContact OE1-O 2.86Å; S78-R82 WeakPolarHBondContact O-CD 3.45Å; S78-R82 WeakPolarHBondContact O-CG 3.36Å; S78-R82 PolarHBondContact O-N 3.13Å; S78-R82 VanDerWaalsContact O-N 3.08Å; S78-R82 PolarHBondContact OG-NE 3.49Å; S78-R82 VanDerWaalsContact OG-NE 3.14Å; S78-R82 PolarHBondContact OG-NH2 3.06Å; Q79-R82 PolarHBondContact O-N 3.02Å; F80-R82 VanDerWaalsContact C-N 3.28Å; F80-R82 PolarHBondContact O-N 2.92Å; R82-V84 HydrophobicContact CB-CG1 4.39Å
83	G	85.7	Confident	91	Very high	8 Å²	8	26.7 Å²	26.7	8%	0.082	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.1	19.7	175.8	0	0	0	0	0	115.7	Q79 F80 S81 R321	Q79-G83 PolarHBondContact O-N 2.92Å; F80-G83 WeakPolarHBondContact O-CA 3.39Å; F80-G83 PolarHBondContact O-N 3.41Å; S81-G83 VanDerWaalsContact C-N 3.28Å; G83-R321 WeakPolarHBondContact O-CD 3.44Å; G83-R321 PolarHBondContact O-NH1 2.88Å
84	V	89.6	Confident	90.7	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.006	15%	0.152	C	C	.	.			trans	-59.7	148.1	-174.6	-55.4	0	0	0	0	114.5	Q27 Q79 R82 I87 R321	Q27-V84 HydrophobicContact CB-CG1 4.33Å; Q79-V84 HydrophobicContact CB-CG2 4.1Å; Q79-V84 PolarHBondContact O-N 3.42Å; R82-V84 HydrophobicContact CB-CG1 4.39Å; V84-I87 HydrophobicContact CG2-CD1 4.27Å; V84-I87 HydrophobicContact CG2-CG1 3.78Å; V84-R321 PolarHBondContact O-NH1 3.3Å
85	Y	89	Confident	90.6	Very high	26 Å²	26	25.1 Å²	25.1	10%	0.102	13%	0.125	C	C	.	.	S	Bend	trans	-86.3	-25.5	-174.3	-67.7	-78.5	0	0	0	114.6	V26 Q27 F319 R321 W336	V26-Y85 HydrophobicContact CB-CD2 4.5Å; V26-Y85 HydrophobicContact CG1-CD2 3.77Å; V26-Y85 HydrophobicContact CG1-CG 4.08Å; Q27-Y85 HydrophobicContact CB-CD2 4.34Å; Q27-Y85 WeakPolarHBondContact O-CD2 3.5Å; Q27-Y85 PolarHBondContact O-N 2.87Å; Y85-F319 HydrophobicContact CD1-CD2 4.16Å; Y85-F319 AromaticContact CE1-CD2 3.95Å; Y85-F319 HydrophobicContact CE1-CD2 3.95Å; Y85-F319 VanDerWaalsContact CE1-O 3.27Å; Y85-F319 WeakPolarHBondContact CE1-O 3.27Å; Y85-R321 HydrophobicContact CE1-CB 4.24Å; Y85-R321 PolarHBondContact OH-N 3.48Å; Y85-W336 VanDerWaalsContact CA-CH2 3.48Å; Y85-W336 AromaticContact CD1-CH2 3.63Å; Y85-W336 HydrophobicContact CD1-CH2 3.63Å; Y85-W336 AromaticContact CD1-CZ2 3.66Å; Y85-W336 HydrophobicContact CD1-CZ2 3.66Å; Y85-W336 HydrophobicContact CE1-CZ2 4.19Å; Y85-W336 HydrophobicContact CG-CH2 4.27Å; Y85-W336 VanDerWaalsContact O-CH2 3.28Å; Y85-W336 WeakPolarHBondContact O-CH2 3.48Å; Y85-W336 WeakPolarHBondContact O-CZ3 3.32Å
86	A	92.1	Very high	90.6	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	156.9	175.1	0	0	0	0	0	108.4	I28 G29 I111 M305 F309	I28-A86 CarbonylContact C-O 3.49Å; I28-A86 WeakPolarHBondContact CA-O 3.28Å; I28-A86 HydrophobicContact CG2-CB 4.44Å; G29-A86 PolarHBondContact N-O 3.01Å; A86-I111 HydrophobicContact CB-CD1 3.94Å; A86-M305 HydrophobicContact CB-CE 4.03Å; A86-F309 HydrophobicContact CB-CE2 4.45Å; A86-F309 HydrophobicContact CB-CZ 4.17Å
87	I	95.1	Very high	90.5	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	121.5	175.9	-61.5	178.2	0	0	0	108.4	G29 L31 F76 Q79 V84 V108 S109 F110 I111	G29-I87 WeakPolarHBondContact O-CA 3.4Å; L31-I87 HydrophobicContact CD1-CG2 3.73Å; F76-I87 HydrophobicContact CD2-CD1 3.96Å; F76-I87 HydrophobicContact CE2-CD1 3.76Å; F76-I87 HydrophobicContact CZ-CD1 4.14Å; Q79-I87 HydrophobicContact CB-CD1 4.15Å; V84-I87 HydrophobicContact CG2-CD1 4.27Å; V84-I87 HydrophobicContact CG2-CG1 3.78Å; I87-V108 HydrophobicContact CD1-CG1 3.86Å; I87-V108 HydrophobicContact CG1-CG1 3.98Å; I87-S109 PolarHBondContact N-O 3.07Å; I87-F110 HydrophobicContact CB-CD2 3.93Å; I87-F110 HydrophobicContact CB-CE2 4.49Å; I87-F110 HydrophobicContact CG2-CD2 3.63Å; I87-F110 HydrophobicContact CG2-CE2 3.69Å; I87-F110 CarbonylContact O-C 3.59Å; I87-F110 VanDerWaalsContact O-CA 3.24Å; I87-F110 WeakPolarHBondContact O-CA 3.42Å; I87-I111 PolarHBondContact O-N 3.35Å
88	F	96.1	Very high	90.5	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	143.7	164.6	176.7	-97.1	0	0	0	109.4	G29 G30 L31 F32 F43 F90 I111 P113 T298 A301 M305	G29-F88 PolarHBondContact O-N 3.23Å; G30-F88 CarbonylContact C-O 3.57Å; G30-F88 VanDerWaalsContact CA-O 3.29Å; G30-F88 WeakPolarHBondContact CA-O 3.4Å; L31-F88 PolarHBondContact N-O 3.35Å; F32-F88 HydrophobicContact CE1-CD1 4.47Å; F32-F88 AromaticContact CE1-CE1 3.93Å; F32-F88 HydrophobicContact CE1-CE1 3.93Å; F32-F88 HydrophobicContact CE2-CD1 4.04Å; F32-F88 HydrophobicContact CE2-CE1 4.31Å; F32-F88 AromaticContact CZ-CD1 3.7Å; F32-F88 HydrophobicContact CZ-CD1 3.7Å; F32-F88 AromaticContact CZ-CE1 3.58Å; F32-F88 HydrophobicContact CZ-CE1 3.58Å; F43-F88 AromaticContact CD2-CD1 3.97Å; F43-F88 HydrophobicContact CD2-CD1 3.97Å; F43-F88 HydrophobicContact CD2-CE1 4.18Å; F43-F88 HydrophobicContact CD2-CG 4.48Å; F43-F88 HydrophobicContact CE2-CB 4.34Å; F43-F88 AromaticContact CE2-CD1 3.94Å; F43-F88 HydrophobicContact CE2-CD1 3.94Å; F43-F88 HydrophobicContact CE2-CG 4.15Å; F88-F90 HydrophobicContact CE1-CE2 4.06Å; F88-F90 HydrophobicContact CZ-CE2 4.29Å; F88-I111 CarbonylContact C-O 3.59Å; F88-I111 WeakPolarHBondContact CA-O 3.4Å; F88-I111 HydrophobicContact CD2-CB 4.17Å; F88-I111 HydrophobicContact CD2-CG2 4.04Å; F88-I111 WeakPolarHBondContact CD2-O 3.3Å; F88-P113 HydrophobicContact CE2-CG 4.5Å; F88-P113 HydrophobicContact CZ-CG 4.07Å; F88-T298 HydrophobicContact CE1-CG2 3.77Å; F88-T298 HydrophobicContact CZ-CG2 3.56Å; F88-A301 HydrophobicContact CD2-CB 3.84Å; F88-A301 HydrophobicContact CE2-CB 3.45Å; F88-A301 VanDerWaalsContact CE2-CB 3.45Å; F88-A301 HydrophobicContact CZ-CB 4.44Å; F88-M305 HydrophobicContact CB-SD 4.1Å
89	G	93.9	Very high	90.6	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.4	-172.5	169.2	0	0	0	0	0	116.1	L31 I111 T112	L31-G89 WeakPolarHBondContact O-CA 3.49Å; G89-I111 PolarHBondContact N-O 3.21Å; G89-T112 WeakPolarHBondContact O-CA 3.3Å; G89-T112 WeakPolarHBondContact O-CB 3.37Å; G89-T112 PolarHBondContact O-OG1 3.07Å
90	F	93.3	Very high	90.7	Very high	22 Å²	22	29.8 Å²	29.8	10%	0.096	15%	0.146	C	C	.	.			trans	-110.1	146.9	-176.6	-63.3	-109.5	0	0	0	110.5	L31 F32 P33 E39 V66 F88 P113	L31-F90 PolarHBondContact O-N 2.77Å; F32-F90 HydrophobicContact CD1-CE2 4.08Å; F32-F90 HydrophobicContact CE1-CE2 4.17Å; P33-F90 VanDerWaalsContact CD-CD2 3.45Å; P33-F90 HydrophobicContact CG-CB 3.8Å; P33-F90 HydrophobicContact CG-CD1 4.18Å; P33-F90 HydrophobicContact CG-CD2 4.07Å; P33-F90 HydrophobicContact CG-CG 3.77Å; E39-F90 HydrophobicContact CB-CE2 4.48Å; E39-F90 HydrophobicContact CB-CZ 3.88Å; E39-F90 HydrophobicContact CG-CE1 4.34Å; E39-F90 HydrophobicContact CG-CZ 3.84Å; V66-F90 WeakPolarHBondContact CG1-O 3.43Å; F88-F90 HydrophobicContact CE1-CE2 4.06Å; F88-F90 HydrophobicContact CZ-CE2 4.29Å; F90-P113 HydrophobicContact CD1-CG 3.98Å; F90-P113 HydrophobicContact CE1-CG 3.44Å; F90-P113 VanDerWaalsContact CE1-CG 3.44Å; F90-P113 HydrophobicContact CE2-CG 4.09Å; F90-P113 HydrophobicContact CZ-CG 3.47Å; F90-P113 VanDerWaalsContact CZ-CG 3.47Å
91	Y	91.4	Very high	90.8	Very high	9 Å²	9	32.7 Å²	32.7	4%	0.035	17%	0.169	C	C	.	.			trans	-124.5	157.8	164.7	55.3	-115.8	0	0	0	112	V66 V96 F110 T112 S114 F115 L117	V66-Y91 VanDerWaalsContact CG1-C 3.49Å; V66-Y91 VanDerWaalsContact CG1-CA 3.44Å; Y91-V96 HydrophobicContact CD1-CG2 4.23Å; Y91-V96 HydrophobicContact CD2-CB 3.76Å; Y91-V96 HydrophobicContact CD2-CG2 3.63Å; Y91-V96 HydrophobicContact CE1-CG2 4.27Å; Y91-V96 HydrophobicContact CE2-CB 4.32Å; Y91-V96 HydrophobicContact CE2-CG2 3.71Å; Y91-V96 HydrophobicContact CG-CB 4.03Å; Y91-V96 HydrophobicContact CG-CG2 3.94Å; Y91-F110 AromaticContact CD1-CE1 3.82Å; Y91-F110 HydrophobicContact CD1-CE1 3.82Å; Y91-F110 HydrophobicContact CE1-CE1 4.28Å; Y91-T112 HydrophobicContact CD1-CG2 4.38Å; Y91-T112 HydrophobicContact CE1-CG2 3.51Å; Y91-S114 PolarHBondContact N-OG 3.06Å; Y91-S114 PolarHBondContact O-OG 3.29Å; Y91-F115 HydrophobicContact CD2-CE1 4.1Å; Y91-F115 HydrophobicContact CD2-CE2 4.39Å; Y91-F115 AromaticContact CD2-CZ 3.88Å; Y91-F115 HydrophobicContact CD2-CZ 3.88Å; Y91-F115 HydrophobicContact CE2-CD1 4.45Å; Y91-F115 HydrophobicContact CE2-CD2 4.23Å; Y91-F115 HydrophobicContact CE2-CE1 4.13Å; Y91-F115 AromaticContact CE2-CE2 3.87Å; Y91-F115 HydrophobicContact CE2-CE2 3.87Å; Y91-F115 HydrophobicContact CE2-CG 4.48Å; Y91-F115 AromaticContact CE2-CZ 3.81Å; Y91-F115 HydrophobicContact CE2-CZ 3.81Å; Y91-F115 WeakPolarHBondContact CE2-O 3.42Å; Y91-F115 PolarHBondContact OH-O 3.36Å; Y91-L117 HydrophobicContact CE1-CD2 4.23Å; Y91-L117 HydrophobicContact CE2-CD2 3.86Å; Y91-L117 VanDerWaalsContact OH-CD2 3.24Å; Y91-L117 WeakPolarHBondContact OH-CD2 3.25Å; Y91-L117 WeakPolarHBondContact OH-CG 3Å
92	D	89.8	Confident	91.1	Very high	22 Å²	22	31.8 Å²	31.8	12%	0.118	16%	0.157	C	C	.	.			trans	-106.9	162	170.8	171.3	37.3	0	0	0	108.7	V66 K94 S95 V96	V66-D92 HydrophobicContact CG1-CB 4Å; V66-D92 VanDerWaalsContact CG1-N 3.34Å; D92-K94 PolarHBondContact O-N 3.34Å; D92-K94 IonicContact OD1-NZ 3.53Å; D92-K94 VanDerWaalsContact OD2-CB 3.29Å; D92-K94 WeakPolarHBondContact OD2-CB 3.35Å; D92-K94 VanDerWaalsContact OD2-CD 3.24Å; D92-K94 WeakPolarHBondContact OD2-CD 3.49Å; D92-K94 WeakPolarHBondContact OD2-CG 3.21Å; D92-K94 PolarHBondContact OD2-N 2.93Å; D92-K94 IonicContact OD2-NZ 2.72Å; D92-K94 PolarHBondContact OD2-NZ 2.77Å; D92-S95 PolarHBondContact N-OG 2.87Å; D92-S95 VanDerWaalsContact N-OG 3.11Å; D92-S95 PolarHBondContact O-N 3.4Å; D92-S95 PolarHBondContact O-OG 2.82Å; D92-V96 WeakPolarHBondContact O-CB 3.43Å; D92-V96 PolarHBondContact O-N 3Å
93	K	87.3	Confident	91.3	Very high	73 Å²	73	26.3 Å²	26.3	32%	0.317	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-17.5	176.4	-165	64.3	176.6	-177.6	0	113.2	V96 F115 D118	K93-V96 HydrophobicContact CD-CG1 4.35Å; K93-F115 HydrophobicContact CB-CE1 4.49Å; K93-F115 HydrophobicContact CB-CZ 4.02Å; K93-F115 HydrophobicContact CD-CE2 4.01Å; K93-F115 HydrophobicContact CD-CZ 3.95Å; K93-D118 IonicContact NZ-OD2 2.74Å; K93-D118 PolarHBondContact NZ-OD2 3.25Å
94	K	88.2	Confident	91.5	Very high	107 Å²	107	27.4 Å²	27.4	47%	0.465	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-33.5	174.4	-55.6	171	-160.1	81.5	0	113.5	A67 S69 D92 D154	A67-K94 HydrophobicContact CB-CD 4.32Å; S69-K94 PolarHBondContact OG-O 3.34Å; D92-K94 PolarHBondContact O-N 3.34Å; D92-K94 IonicContact OD1-NZ 3.53Å; D92-K94 VanDerWaalsContact OD2-CB 3.29Å; D92-K94 WeakPolarHBondContact OD2-CB 3.35Å; D92-K94 VanDerWaalsContact OD2-CD 3.24Å; D92-K94 WeakPolarHBondContact OD2-CD 3.49Å; D92-K94 WeakPolarHBondContact OD2-CG 3.21Å; D92-K94 PolarHBondContact OD2-N 2.93Å; D92-K94 IonicContact OD2-NZ 2.72Å; D92-K94 PolarHBondContact OD2-NZ 2.77Å; K94-D154 IonicContact NZ-OD1 3.19Å; K94-D154 PolarHBondContact NZ-OD1 2.91Å
95	S	91.1	Very high	91.6	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-14.4	-176.1	52.6	0	0	0	0	114.7	V66 S69 D92 N97 T98 I99	V66-S95 WeakPolarHBondContact O-CB 3.38Å; V66-S95 PolarHBondContact O-OG 3.43Å; S69-S95 WeakPolarHBondContact OG-CA 3.29Å; D92-S95 PolarHBondContact N-OG 2.87Å; D92-S95 VanDerWaalsContact N-OG 3.11Å; D92-S95 PolarHBondContact O-N 3.4Å; D92-S95 PolarHBondContact O-OG 2.82Å; S95-N97 VanDerWaalsContact C-N 3.34Å; S95-N97 PolarHBondContact O-N 3.05Å; S95-T98 WeakPolarHBondContact O-CA 3.42Å; S95-T98 VanDerWaalsContact O-CB 3.25Å; S95-T98 WeakPolarHBondContact O-CB 3.39Å; S95-T98 PolarHBondContact O-N 3.26Å; S95-I99 PolarHBondContact O-N 3Å; S95-I99 VanDerWaalsContact O-N 3.13Å
96	V	90.9	Very high	91.6	Very high	4 Å²	4	29.7 Å²	29.7	2%	0.024	16%	0.164	C	C	.	.	H	α-helix	trans	-53.9	-44.4	-179.2	66	0	0	0	0	113.6	Y91 D92 K93 T98 I99 T100 L117	Y91-V96 HydrophobicContact CD1-CG2 4.23Å; Y91-V96 HydrophobicContact CD2-CB 3.76Å; Y91-V96 HydrophobicContact CD2-CG2 3.63Å; Y91-V96 HydrophobicContact CE1-CG2 4.27Å; Y91-V96 HydrophobicContact CE2-CB 4.32Å; Y91-V96 HydrophobicContact CE2-CG2 3.71Å; Y91-V96 HydrophobicContact CG-CB 4.03Å; Y91-V96 HydrophobicContact CG-CG2 3.94Å; D92-V96 WeakPolarHBondContact O-CB 3.43Å; D92-V96 PolarHBondContact O-N 3Å; K93-V96 HydrophobicContact CD-CG1 4.35Å; V96-T98 PolarHBondContact O-N 3.04Å; V96-I99 PolarHBondContact O-N 2.84Å; V96-T100 PolarHBondContact O-N 3.4Å; V96-T100 PolarHBondContact O-OG1 3.34Å; V96-L117 HydrophobicContact CG2-CD2 3.25Å
97	N	90.6	Very high	91.6	Very high	118 Å²	118	32.1 Å²	32.1	63%	0.631	18%	0.176	S	C	*	.	H	α-helix	trans	-66	-28.3	179.1	-67.5	-14.3	0	0	0	112.5	S95 T100 S101	S95-N97 VanDerWaalsContact C-N 3.34Å; S95-N97 PolarHBondContact O-N 3.05Å; N97-T100 WeakPolarHBondContact CA-OG1 3.42Å; N97-T100 PolarHBondContact O-OG1 3.41Å; N97-S101 VanDerWaalsContact O-CB 3.24Å; N97-S101 WeakPolarHBondContact O-CB 3.28Å; N97-S101 PolarHBondContact O-N 2.91Å
98	T	92.9	Very high	91.4	Very high	32 Å²	32	32.1 Å²	32.1	20%	0.196	18%	0.176	C	C	.	.	H	α-helix	trans	-70.5	-48.4	175.2	-54.2	0	0	0	0	109.9	T73 S95 V96 S101 F102	T73-T98 VanDerWaalsContact OG1-CG2 3.29Å; T73-T98 WeakPolarHBondContact OG1-CG2 3.4Å; S95-T98 WeakPolarHBondContact O-CA 3.42Å; S95-T98 VanDerWaalsContact O-CB 3.25Å; S95-T98 WeakPolarHBondContact O-CB 3.39Å; S95-T98 PolarHBondContact O-N 3.26Å; V96-T98 PolarHBondContact O-N 3.04Å; T98-S101 PolarHBondContact O-N 3.48Å; T98-F102 HydrophobicContact CG2-CD2 3.84Å; T98-F102 HydrophobicContact CG2-CE2 3.8Å; T98-F102 VanDerWaalsContact O-CD2 3.3Å; T98-F102 WeakPolarHBondContact O-CD2 3.36Å; T98-F102 PolarHBondContact O-N 3.28Å
99	I	92.5	Very high	91.3	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.01	18%	0.176	C	C	.	.	H	α-helix	trans	-59.5	-51	176.6	-67.7	-63.2	0	0	0	111.3	V72 F76 S95 V96 S101 F102 C103 F110	V72-I99 HydrophobicContact CG1-CD1 3.5Å; V72-I99 VanDerWaalsContact CG1-CD1 3.5Å; V72-I99 HydrophobicContact CG1-CG1 3.95Å; F76-I99 HydrophobicContact CD2-CD1 3.98Å; S95-I99 PolarHBondContact O-N 3Å; S95-I99 VanDerWaalsContact O-N 3.13Å; V96-I99 PolarHBondContact O-N 2.84Å; I99-S101 VanDerWaalsContact C-N 3.31Å; I99-S101 PolarHBondContact O-N 3.41Å; I99-F102 PolarHBondContact O-N 3.08Å; I99-C103 VanDerWaalsContact O-CB 3.32Å; I99-C103 WeakPolarHBondContact O-CB 3.17Å; I99-C103 PolarHBondContact O-N 3.48Å; I99-C103 PolarHBondContact O-SG 3.32Å; I99-C103 VanDerWaalsContact O-SG 3.35Å; I99-F110 HydrophobicContact CD1-CD2 4.47Å; I99-F110 HydrophobicContact CD1-CE2 3.94Å; I99-F110 HydrophobicContact CD1-CZ 4.3Å; I99-F110 HydrophobicContact CG1-CE2 4.49Å; I99-F110 HydrophobicContact CG1-CZ 4.41Å; I99-F110 HydrophobicContact CG2-CB 4.41Å; I99-F110 HydrophobicContact CG2-CD1 3.83Å; I99-F110 HydrophobicContact CG2-CD2 3.92Å; I99-F110 HydrophobicContact CG2-CE1 3.97Å; I99-F110 HydrophobicContact CG2-CE2 4.08Å; I99-F110 HydrophobicContact CG2-CG 3.8Å; I99-F110 HydrophobicContact CG2-CZ 4.1Å
100	T	92.2	Very high	91.4	Very high	17 Å²	17	32.1 Å²	32.1	10%	0.104	18%	0.176	C	C	.	.	H	α-helix	trans	-61.5	-39.4	-178.4	54.6	0	0	0	0	112.3	V96 N97 G104 L117 Q121 V124	V96-T100 PolarHBondContact O-N 3.4Å; V96-T100 PolarHBondContact O-OG1 3.34Å; N97-T100 WeakPolarHBondContact CA-OG1 3.42Å; N97-T100 PolarHBondContact O-OG1 3.41Å; T100-G104 PolarHBondContact O-N 3.25Å; T100-L117 HydrophobicContact CG2-CD1 3.76Å; T100-Q121 HydrophobicContact CG2-CG 3.91Å; T100-V124 HydrophobicContact CG2-CG2 4.35Å
101	S	92.2	Very high	91.5	Very high	74 Å²	74	31.1 Å²	31.1	52%	0.517	17%	0.171	S	C	.	.	H	α-helix	trans	-63.7	-46.2	176.3	-171.4	0	0	0	0	112.4	N97 T98 I99 T105	N97-S101 VanDerWaalsContact O-CB 3.24Å; N97-S101 WeakPolarHBondContact O-CB 3.28Å; N97-S101 PolarHBondContact O-N 2.91Å; T98-S101 PolarHBondContact O-N 3.48Å; I99-S101 VanDerWaalsContact C-N 3.31Å; I99-S101 PolarHBondContact O-N 3.41Å; S101-T105 WeakPolarHBondContact O-CB 3.47Å; S101-T105 PolarHBondContact O-N 3.37Å; S101-T105 PolarHBondContact O-OG1 3.05Å
102	F	91.8	Very high	91.7	Very high	37 Å²	37	30.7 Å²	30.7	16%	0.162	17%	0.17	C	C	.	.	H	α-helix	trans	-69	-41.9	178	-82.9	-66.9	0	0	0	112.7	T73 F76 T98 I99 T105 L106	T73-F102 HydrophobicContact CG2-CE2 3.82Å; T73-F102 HydrophobicContact CG2-CZ 3.82Å; F76-F102 HydrophobicContact CD1-CB 4.06Å; F76-F102 HydrophobicContact CD1-CD1 4.48Å; F76-F102 HydrophobicContact CD1-CG 4.23Å; F76-F102 HydrophobicContact CD2-CB 4.47Å; F76-F102 HydrophobicContact CE1-CB 3.76Å; F76-F102 HydrophobicContact CE1-CG 4.33Å; F76-F102 HydrophobicContact CE2-CB 4.16Å; F76-F102 HydrophobicContact CG-CB 4.43Å; F76-F102 HydrophobicContact CZ-CB 3.8Å; T98-F102 HydrophobicContact CG2-CD2 3.84Å; T98-F102 HydrophobicContact CG2-CE2 3.8Å; T98-F102 VanDerWaalsContact O-CD2 3.3Å; T98-F102 WeakPolarHBondContact O-CD2 3.36Å; T98-F102 PolarHBondContact O-N 3.28Å; I99-F102 PolarHBondContact O-N 3.08Å; F102-T105 PolarHBondContact O-N 2.96Å; F102-L106 HydrophobicContact CD1-CD1 3.95Å; F102-L106 WeakPolarHBondContact O-CB 3.45Å; F102-L106 PolarHBondContact O-N 3.4Å
103	C	91.8	Very high	91.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-62.9	-46.8	177.5	-73.9	0	0	0	0	112.3	I99 T105 H107 V108 F110 F123	I99-C103 VanDerWaalsContact O-CB 3.32Å; I99-C103 WeakPolarHBondContact O-CB 3.17Å; I99-C103 PolarHBondContact O-N 3.48Å; I99-C103 PolarHBondContact O-SG 3.32Å; I99-C103 VanDerWaalsContact O-SG 3.35Å; C103-T105 PolarHBondContact O-N 3.4Å; C103-H107 VanDerWaalsContact O-CA 3.3Å; C103-H107 WeakPolarHBondContact O-CA 3.38Å; C103-H107 PolarHBondContact O-N 2.91Å; C103-V108 PolarHBondContact O-N 2.93Å; C103-V108 PolarHBondContact SG-O 3.2Å; C103-F110 VanDerWaalsContact SG-CB 3.57Å; C103-F123 HydrophobicContact CB-CB 4.04Å; C103-F123 WeakPolarHBondContact O-CD2 3.44Å
104	G	90.4	Very high	92.1	Very high	30 Å²	30	26.4 Å²	26.4	31%	0.309	15%	0.151	S	C	.	.	H	α-helix	trans	-61.5	-40.5	174.4	0	0	0	0	0	113.1	T100 H107	T100-G104 PolarHBondContact O-N 3.25Å; G104-H107 PolarHBondContact O-CE1 2.81Å; G104-H107 VanDerWaalsContact O-CE1 3.3Å; G104-H107 PolarHBondContact O-ND1 3.22Å
105	T	90.1	Very high	92.1	Very high	73 Å²	73	22 Å²	22	45%	0.448	13%	0.132	S	C	.	.	H	α-helix	trans	-71.1	-52.2	179.7	-53.8	0	0	0	0	112.3	S101 F102 C103 H107 A333	S101-T105 WeakPolarHBondContact O-CB 3.47Å; S101-T105 PolarHBondContact O-N 3.37Å; S101-T105 PolarHBondContact O-OG1 3.05Å; F102-T105 PolarHBondContact O-N 2.96Å; C103-T105 PolarHBondContact O-N 3.4Å; T105-H107 PolarHBondContact O-ND1 3.38Å; T105-A333 HydrophobicContact CG2-CB 4.42Å
106	L	90.1	Very high	92	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.01	14%	0.141	C	C	.	.	H	α-helix	trans	-91.1	-6.3	-169.6	-62.8	171.2	0	0	0	113.6	F76 F80 F102 V108 C328 A333 W336	F76-L106 HydrophobicContact CE1-CD1 3.88Å; F80-L106 HydrophobicContact CD2-CB 4.41Å; F80-L106 HydrophobicContact CD2-CD1 4.06Å; F80-L106 HydrophobicContact CE1-CD2 4.44Å; F80-L106 HydrophobicContact CE2-CB 3.95Å; F80-L106 HydrophobicContact CE2-CD1 4.12Å; F80-L106 HydrophobicContact CE2-CD2 4.15Å; F80-L106 HydrophobicContact CE2-CG 4.3Å; F80-L106 HydrophobicContact CG-CD1 4.29Å; F80-L106 HydrophobicContact CZ-CD1 4.41Å; F80-L106 HydrophobicContact CZ-CD2 3.91Å; F102-L106 HydrophobicContact CD1-CD1 3.95Å; F102-L106 WeakPolarHBondContact O-CB 3.45Å; F102-L106 PolarHBondContact O-N 3.4Å; L106-V108 HydrophobicContact CB-CG2 4.09Å; L106-C328 HydrophobicContact CD1-CB 4.25Å; L106-A333 HydrophobicContact CD2-CB 3.81Å; L106-W336 PolarHBondContact O-N 2.93Å
107	H	91.4	Very high	91.7	Very high	51 Å²	51	24.2 Å²	24.2	24%	0.236	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	60	43.5	-179.2	-64.1	25.9	0	0	0	112.4	C103 G104 T105 F123 P335 G339	C103-H107 VanDerWaalsContact O-CA 3.3Å; C103-H107 WeakPolarHBondContact O-CA 3.38Å; C103-H107 PolarHBondContact O-N 2.91Å; G104-H107 PolarHBondContact O-CE1 2.81Å; G104-H107 VanDerWaalsContact O-CE1 3.3Å; G104-H107 PolarHBondContact O-ND1 3.22Å; T105-H107 PolarHBondContact O-ND1 3.38Å; H107-F123 HydrophobicContact CB-CD1 4.33Å; H107-F123 HydrophobicContact CB-CE1 3.76Å; H107-F123 HydrophobicContact CB-CE2 4.07Å; H107-F123 HydrophobicContact CB-CZ 3.62Å; H107-F123 AromaticContact CD2-CE2 3.95Å; H107-F123 AromaticContact CD2-CZ 3.46Å; H107-F123 VanDerWaalsContact CD2-CZ 3.46Å; H107-F123 WeakPolarHBondContact CD2-CZ 3.25Å; H107-F123 AromaticContact CG-CE2 3.66Å; H107-F123 AromaticContact CG-CZ 3.42Å; H107-F123 VanDerWaalsContact CG-CZ 3.42Å; H107-F123 AromaticContact ND1-CE2 3.74Å; H107-F123 AromaticContact ND1-CZ 3.99Å; H107-P335 HydrophobicContact CB-CB 4.39Å; H107-G339 WeakPolarHBondContact O-CA 3.49Å
108	V	91.2	Very high	90.7	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.012	13%	0.134	C	C	.	.			trans	-105.3	116.5	178.8	-179.5	0	0	0	0	109.5	F76 F80 I87 C103 L106 F110	F76-V108 HydrophobicContact CZ-CB 4.18Å; F76-V108 HydrophobicContact CZ-CG1 4.44Å; F80-V108 HydrophobicContact CD2-CG2 3.96Å; F80-V108 HydrophobicContact CE2-CG2 4.15Å; I87-V108 HydrophobicContact CD1-CG1 3.86Å; I87-V108 HydrophobicContact CG1-CG1 3.98Å; C103-V108 PolarHBondContact O-N 2.93Å; C103-V108 PolarHBondContact SG-O 3.2Å; L106-V108 HydrophobicContact CB-CG2 4.09Å; V108-F110 PolarHBondContact O-N 2.93Å
109	S	94.1	Very high	89.9	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	15%	0.148	C	C	.	.			trans	-65.4	122.3	179.2	-64.6	0	0	0	0	111.7	I87 F123	I87-S109 PolarHBondContact N-O 3.07Å; S109-F123 WeakPolarHBondContact CA-O 3.25Å
110	F	95.4	Very high	89.3	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	127.9	176.8	-169.1	-92.2	0	0	0	110.7	I87 Y91 I99 C103 V108 T112 F123 V124 I125	I87-F110 HydrophobicContact CB-CD2 3.93Å; I87-F110 HydrophobicContact CB-CE2 4.49Å; I87-F110 HydrophobicContact CG2-CD2 3.63Å; I87-F110 HydrophobicContact CG2-CE2 3.69Å; I87-F110 CarbonylContact O-C 3.59Å; I87-F110 VanDerWaalsContact O-CA 3.24Å; I87-F110 WeakPolarHBondContact O-CA 3.42Å; Y91-F110 AromaticContact CD1-CE1 3.82Å; Y91-F110 HydrophobicContact CD1-CE1 3.82Å; Y91-F110 HydrophobicContact CE1-CE1 4.28Å; I99-F110 HydrophobicContact CD1-CD2 4.47Å; I99-F110 HydrophobicContact CD1-CE2 3.94Å; I99-F110 HydrophobicContact CD1-CZ 4.3Å; I99-F110 HydrophobicContact CG1-CE2 4.49Å; I99-F110 HydrophobicContact CG1-CZ 4.41Å; I99-F110 HydrophobicContact CG2-CB 4.41Å; I99-F110 HydrophobicContact CG2-CD1 3.83Å; I99-F110 HydrophobicContact CG2-CD2 3.92Å; I99-F110 HydrophobicContact CG2-CE1 3.97Å; I99-F110 HydrophobicContact CG2-CE2 4.08Å; I99-F110 HydrophobicContact CG2-CG 3.8Å; I99-F110 HydrophobicContact CG2-CZ 4.1Å; C103-F110 VanDerWaalsContact SG-CB 3.57Å; V108-F110 PolarHBondContact O-N 2.93Å; F110-T112 HydrophobicContact CD1-CG2 4.41Å; F110-T112 HydrophobicContact CE1-CG2 4.34Å; F110-F123 PolarHBondContact N-O 3.42Å; F110-V124 CarbonylContact O-C 3.36Å; F110-V124 WeakPolarHBondContact O-CA 3.37Å; F110-I125 PolarHBondContact O-N 3.28Å
111	I	96.3	Very high	88.9	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	129.6	-177.3	-58.6	83.3	0	0	0	108.6	A86 I87 F88 G89 I125 M127 A301 M305 L346	A86-I111 HydrophobicContact CB-CD1 3.94Å; I87-I111 PolarHBondContact O-N 3.35Å; F88-I111 CarbonylContact C-O 3.59Å; F88-I111 WeakPolarHBondContact CA-O 3.4Å; F88-I111 HydrophobicContact CD2-CB 4.17Å; F88-I111 HydrophobicContact CD2-CG2 4.04Å; F88-I111 WeakPolarHBondContact CD2-O 3.3Å; G89-I111 PolarHBondContact N-O 3.21Å; I111-I125 HydrophobicContact CG1-CB 4.25Å; I111-I125 HydrophobicContact CG1-CG1 4.4Å; I111-M127 HydrophobicContact CG2-CE 3.42Å; I111-M127 VanDerWaalsContact CG2-CE 3.42Å; I111-M127 HydrophobicContact CG2-CG 4.27Å; I111-A301 HydrophobicContact CG2-CB 3.99Å; I111-M305 HydrophobicContact CB-SD 4.32Å; I111-M305 HydrophobicContact CD1-CE 4.37Å; I111-M305 HydrophobicContact CD1-CG 4.19Å; I111-M305 HydrophobicContact CD1-SD 4.13Å; I111-M305 HydrophobicContact CG1-CG 4.05Å; I111-M305 HydrophobicContact CG1-SD 4.21Å; I111-L346 HydrophobicContact CD1-CD1 4.13Å; I111-L346 HydrophobicContact CG1-CD1 4.4Å; I111-L346 HydrophobicContact CG1-CD2 4.42Å
112	T	95	Very high	88.6	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	140.8	-170.1	-167.4	0	0	0	0	116.1	G89 Y91 F110 S114 V124 I125 Q126 M127	G89-T112 WeakPolarHBondContact O-CA 3.3Å; G89-T112 WeakPolarHBondContact O-CB 3.37Å; G89-T112 PolarHBondContact O-OG1 3.07Å; Y91-T112 HydrophobicContact CD1-CG2 4.38Å; Y91-T112 HydrophobicContact CE1-CG2 3.51Å; F110-T112 HydrophobicContact CD1-CG2 4.41Å; F110-T112 HydrophobicContact CE1-CG2 4.34Å; T112-S114 WeakPolarHBondContact OG1-CB 3.34Å; T112-S114 PolarHBondContact OG1-N 3.44Å; T112-S114 PolarHBondContact OG1-OG 3.1Å; T112-V124 HydrophobicContact CG2-CG1 4.33Å; T112-I125 PolarHBondContact N-O 3.46Å; T112-Q126 HydrophobicContact CG2-CG 4.31Å; T112-M127 WeakPolarHBondContact O-CB 3.36Å; T112-M127 PolarHBondContact O-N 3.16Å
113	P	94.1	Very high	88.6	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.179	C	C	.	.			trans	-93.7	8.2	168.2	39.9	-36.2	0	0	0	113	F88 F90 R128 L297	F88-P113 HydrophobicContact CE2-CG 4.5Å; F88-P113 HydrophobicContact CZ-CG 4.07Å; F90-P113 HydrophobicContact CD1-CG 3.98Å; F90-P113 HydrophobicContact CE1-CG 3.44Å; F90-P113 VanDerWaalsContact CE1-CG 3.44Å; F90-P113 HydrophobicContact CE2-CG 4.09Å; F90-P113 HydrophobicContact CZ-CG 3.47Å; F90-P113 VanDerWaalsContact CZ-CG 3.47Å; P113-R128 VanDerWaalsContact O-CZ 3.26Å; P113-R128 PolarHBondContact O-NE 3.39Å; P113-R128 PolarHBondContact O-NH2 3.24Å; P113-L297 HydrophobicContact CB-CB 3.81Å; P113-L297 HydrophobicContact CB-CD1 4.47Å
114	S	91.1	Very high	88.7	Confident	5 Å²	5	30.9 Å²	30.9	4%	0.035	18%	0.179	C	C	.	.	S	Bend	trans	-63.1	177.5	174.8	-74.8	0	0	0	0	113	Y91 T112 R128	Y91-S114 PolarHBondContact N-OG 3.06Å; Y91-S114 PolarHBondContact O-OG 3.29Å; T112-S114 WeakPolarHBondContact OG1-CB 3.34Å; T112-S114 PolarHBondContact OG1-N 3.44Å; T112-S114 PolarHBondContact OG1-OG 3.1Å; S114-R128 WeakPolarHBondContact O-CB 3.39Å; S114-R128 PolarHBondContact O-NE 2.97Å
115	F	89.2	Confident	89	Confident	16 Å²	16	29.4 Å²	29.4	7%	0.07	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-63.3	148.4	177.6	58.9	-95.9	0	0	0	112.2	Y91 K93 R155	Y91-F115 HydrophobicContact CD2-CE1 4.1Å; Y91-F115 HydrophobicContact CD2-CE2 4.39Å; Y91-F115 AromaticContact CD2-CZ 3.88Å; Y91-F115 HydrophobicContact CD2-CZ 3.88Å; Y91-F115 HydrophobicContact CE2-CD1 4.45Å; Y91-F115 HydrophobicContact CE2-CD2 4.23Å; Y91-F115 HydrophobicContact CE2-CE1 4.13Å; Y91-F115 AromaticContact CE2-CE2 3.87Å; Y91-F115 HydrophobicContact CE2-CE2 3.87Å; Y91-F115 HydrophobicContact CE2-CG 4.48Å; Y91-F115 AromaticContact CE2-CZ 3.81Å; Y91-F115 HydrophobicContact CE2-CZ 3.81Å; Y91-F115 WeakPolarHBondContact CE2-O 3.42Å; Y91-F115 PolarHBondContact OH-O 3.36Å; K93-F115 HydrophobicContact CB-CE1 4.49Å; K93-F115 HydrophobicContact CB-CZ 4.02Å; K93-F115 HydrophobicContact CD-CE2 4.01Å; K93-F115 HydrophobicContact CD-CZ 3.95Å; F115-R155 WeakPolarHBondContact CG-O 3.35Å
116	P	88.8	Confident	89.1	Confident	31 Å²	31	26 Å²	26	20%	0.201	14%	0.144	C	C	.	.	P	Polyproline II helix	trans	-63.7	151.8	-179.4	-23.5	34.8	0	0	0	114.2
117	L	83.9	Confident	89.3	Confident	18 Å²	18	26 Å²	26	9%	0.094	14%	0.144	C	C	.	.	P	Polyproline II helix	trans	-89.6	143.5	-174.1	-62.4	-173.3	0	0	0	114.6	Y91 V96 T100 Q121 V124	Y91-L117 HydrophobicContact CE1-CD2 4.23Å; Y91-L117 HydrophobicContact CE2-CD2 3.86Å; Y91-L117 VanDerWaalsContact OH-CD2 3.24Å; Y91-L117 WeakPolarHBondContact OH-CD2 3.25Å; Y91-L117 WeakPolarHBondContact OH-CG 3Å; V96-L117 HydrophobicContact CG2-CD2 3.25Å; T100-L117 HydrophobicContact CG2-CD1 3.76Å; L117-Q121 HydrophobicContact CD1-CB 4.3Å; L117-Q121 HydrophobicContact CD1-CG 3.9Å; L117-V124 HydrophobicContact CD1-CB 4.35Å; L117-V124 HydrophobicContact CD1-CG1 3.98Å; L117-V124 HydrophobicContact CD1-CG2 4.45Å
118	D	70	Confident	89.4	Confident	75 Å²	75	24.6 Å²	24.6	40%	0.401	14%	0.136	S	C	.	.	S	Bend	trans	-69.9	135.8	165.7	-60.2	-55.8	0	0	0	110.9	K93 T158	K93-D118 IonicContact NZ-OD2 2.74Å; K93-D118 PolarHBondContact NZ-OD2 3.25Å; D118-T158 WeakPolarHBondContact OD1-CG2 3.4Å; D118-T158 WeakPolarHBondContact OD2-CG2 3.34Å
119	G	75.5	Confident	89.5	Confident	48 Å²	48	24.6 Å²	24.6	50%	0.495	14%	0.136	S	C	.	.	S	Bend	trans	72.5	-166	-179.2	0	0	0	0	0	114.2	K365	G119-K365 WeakPolarHBondContact O-CE 3.26Å; G119-K365 PolarHBondContact O-NZ 3.4Å
120	N	81.1	Confident	89.3	Confident	102 Å²	102	27 Å²	27	55%	0.545	15%	0.149	S	C	.	.			trans	-118.1	89.5	-171.2	-72	-7.4	0	0	0	110	H363 K365	N120-H363 VanDerWaalsContact CG-CD2 3.46Å; N120-H363 PolarHBondContact ND2-NE2 2.92Å; N120-H363 VanDerWaalsContact ND2-NE2 3.16Å; N120-K365 PolarHBondContact OD1-NZ 3.06Å
121	Q	83.6	Confident	89.1	Confident	68 Å²	68	27.6 Å²	27.6	32%	0.318	15%	0.152	S	C	.	.			trans	-84.1	162	178.6	-58.2	-60.5	-26.2	0	0	111.5	T100 L117	T100-Q121 HydrophobicContact CG2-CG 3.91Å; L117-Q121 HydrophobicContact CD1-CB 4.3Å; L117-Q121 HydrophobicContact CD1-CG 3.9Å
122	Q	86.1	Confident	88.8	Confident	121 Å²	121	30 Å²	30	57%	0.565	16%	0.162	S	C	*	.	S	Bend	trans	-113.8	157.6	170.6	-68.2	177.6	-18.6	0	0	109.5	V124	Q122-V124 PolarHBondContact O-N 3.48Å
123	F	91.8	Very high	88.5	Confident	5 Å²	5	31 Å²	31	2%	0.022	17%	0.173	C	C	.	.	S	Bend	trans	60.5	21.9	-178	-53.6	-81.1	0	0	0	115.4	C103 H107 S109 F110 V340 E343	C103-F123 HydrophobicContact CB-CB 4.04Å; C103-F123 WeakPolarHBondContact O-CD2 3.44Å; H107-F123 HydrophobicContact CB-CD1 4.33Å; H107-F123 HydrophobicContact CB-CE1 3.76Å; H107-F123 HydrophobicContact CB-CE2 4.07Å; H107-F123 HydrophobicContact CB-CZ 3.62Å; H107-F123 AromaticContact CD2-CE2 3.95Å; H107-F123 AromaticContact CD2-CZ 3.46Å; H107-F123 VanDerWaalsContact CD2-CZ 3.46Å; H107-F123 WeakPolarHBondContact CD2-CZ 3.25Å; H107-F123 AromaticContact CG-CE2 3.66Å; H107-F123 AromaticContact CG-CZ 3.42Å; H107-F123 VanDerWaalsContact CG-CZ 3.42Å; H107-F123 AromaticContact ND1-CE2 3.74Å; H107-F123 AromaticContact ND1-CZ 3.99Å; S109-F123 WeakPolarHBondContact CA-O 3.25Å; F110-F123 PolarHBondContact N-O 3.42Å; F123-V340 HydrophobicContact CE1-CG2 4.38Å; F123-V340 HydrophobicContact CZ-CG2 4.16Å; F123-E343 WeakPolarHBondContact CA-OE1 3.32Å; F123-E343 HydrophobicContact CD1-CB 3.96Å; F123-E343 HydrophobicContact CD1-CG 4.11Å; F123-E343 HydrophobicContact CE1-CB 4.1Å; F123-E343 PolarHBondContact N-OE1 3.17Å
124	V	94.3	Very high	88.4	Confident	1 Å²	1	31 Å²	31	1%	0.006	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	120.6	175.5	-172.2	0	0	0	0	111.1	T100 F110 T112 L117 Q122 Q126	T100-V124 HydrophobicContact CG2-CG2 4.35Å; F110-V124 CarbonylContact O-C 3.36Å; F110-V124 WeakPolarHBondContact O-CA 3.37Å; T112-V124 HydrophobicContact CG2-CG1 4.33Å; L117-V124 HydrophobicContact CD1-CB 4.35Å; L117-V124 HydrophobicContact CD1-CG1 3.98Å; L117-V124 HydrophobicContact CD1-CG2 4.45Å; Q122-V124 PolarHBondContact O-N 3.48Å; V124-Q126 HydrophobicContact CG1-CG 4.13Å
125	I	94.9	Very high	88.5	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	119.5	175.3	-49.6	-59.8	0	0	0	109.1	F110 I111 T112 M127 L346 K347 F360	F110-I125 PolarHBondContact O-N 3.28Å; I111-I125 HydrophobicContact CG1-CB 4.25Å; I111-I125 HydrophobicContact CG1-CG1 4.4Å; T112-I125 PolarHBondContact N-O 3.46Å; I125-M127 HydrophobicContact CG2-CE 3.97Å; I125-L346 HydrophobicContact CD1-CB 4.09Å; I125-L346 HydrophobicContact CG1-CB 4.06Å; I125-L346 HydrophobicContact CG1-CD1 4.18Å; I125-K347 HydrophobicContact CD1-CG 3.83Å; I125-F360 HydrophobicContact CG2-CD1 3.86Å; I125-F360 HydrophobicContact CG2-CE1 3.48Å; I125-F360 VanDerWaalsContact CG2-CE1 3.48Å; I125-F360 HydrophobicContact CG2-CE2 4.18Å; I125-F360 HydrophobicContact CG2-CG 4.37Å; I125-F360 HydrophobicContact CG2-CZ 3.67Å
126	Q	93.8	Very high	88.7	Confident	2 Å²	2	31.2 Å²	31.2	1%	0.009	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	109.5	-172.4	-66.6	158.6	62.2	0	0	109.6	T112 V124 G364 R366	T112-Q126 HydrophobicContact CG2-CG 4.31Å; V124-Q126 HydrophobicContact CG1-CG 4.13Å; Q126-G364 PolarHBondContact N-O 3.26Å; Q126-R366 WeakPolarHBondContact O-CG 3.36Å
127	M	94.6	Very high	88.8	Confident	2 Å²	2	30.5 Å²	30.5	1%	0.01	17%	0.171	C	C	.	.			trans	-76.6	-27.2	-179.4	-64.6	-68.1	165.1	0	0	112.5	I111 T112 I125 P129 L297 A301 V304 F360 R366	I111-M127 HydrophobicContact CG2-CE 3.42Å; I111-M127 VanDerWaalsContact CG2-CE 3.42Å; I111-M127 HydrophobicContact CG2-CG 4.27Å; T112-M127 WeakPolarHBondContact O-CB 3.36Å; T112-M127 PolarHBondContact O-N 3.16Å; I125-M127 HydrophobicContact CG2-CE 3.97Å; M127-P129 WeakPolarHBondContact O-CD 3.41Å; M127-L297 HydrophobicContact CB-CB 4.23Å; M127-L297 HydrophobicContact CB-CD2 4.26Å; M127-L297 WeakPolarHBondContact O-CD2 3.45Å; M127-A301 HydrophobicContact CE-CB 4.05Å; M127-A301 HydrophobicContact CG-CB 4.05Å; M127-A301 HydrophobicContact SD-CB 4.37Å; M127-V304 HydrophobicContact CE-CB 3.84Å; M127-V304 HydrophobicContact CE-CG1 3.88Å; M127-V304 HydrophobicContact CE-CG2 4.03Å; M127-V304 HydrophobicContact SD-CG2 4.42Å; M127-F360 HydrophobicContact CE-CE1 4.43Å; M127-F360 HydrophobicContact CE-CZ 3.77Å; M127-F360 HydrophobicContact SD-CE1 4.22Å; M127-F360 HydrophobicContact SD-CZ 3.79Å; M127-R366 WeakPolarHBondContact O-CD 3.26Å; M127-R366 WeakPolarHBondContact O-CG 3.42Å
128	R	93.1	Very high	89.3	Confident	20 Å²	20	29.7 Å²	29.7	8%	0.075	17%	0.166	C	C	.	.	S	Bend	trans	-75.2	124.8	178.6	-159.5	-178	-58.6	-162.7	-2.4	110.2	P113 S114 L239 Y293 L297	P113-R128 VanDerWaalsContact O-CZ 3.26Å; P113-R128 PolarHBondContact O-NE 3.39Å; P113-R128 PolarHBondContact O-NH2 3.24Å; S114-R128 WeakPolarHBondContact O-CB 3.39Å; S114-R128 PolarHBondContact O-NE 2.97Å; R128-L239 HydrophobicContact CG-CD1 3.62Å; R128-Y293 HydrophobicContact CG-CE2 4.5Å; R128-Y293 PolarHBondContact NH1-OH 3.49Å; R128-Y293 VanDerWaalsContact NH1-OH 3.09Å; R128-L297 HydrophobicContact CB-CD1 4.03Å; R128-L297 HydrophobicContact CG-CD1 4.09Å
129	P	92.1	Very high	90.4	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.013	15%	0.147	C	C	.	.	P	Polyproline II helix	trans	-71.1	165.6	172.1	29.6	-34.1	0	0	0	112.4	M127 L239 I261 R366 Y369	M127-P129 WeakPolarHBondContact O-CD 3.41Å; P129-L239 HydrophobicContact CG-CD1 3.78Å; P129-I261 HydrophobicContact CG-CD1 4.06Å; P129-I261 HydrophobicContact CG-CG1 4.3Å; P129-R366 HydrophobicContact CB-CB 4.27Å; P129-Y369 HydrophobicContact CB-CD1 3.77Å; P129-Y369 HydrophobicContact CB-CD2 3.41Å; P129-Y369 VanDerWaalsContact CB-CD2 3.41Å; P129-Y369 HydrophobicContact CB-CE1 4.06Å; P129-Y369 HydrophobicContact CB-CE2 3.69Å; P129-Y369 HydrophobicContact CB-CG 3.48Å; P129-Y369 VanDerWaalsContact CB-CG 3.48Å; P129-Y369 HydrophobicContact CG-CD2 4.21Å; P129-Y369 HydrophobicContact CG-CG 4.41Å
130	D	90.1	Very high	91.1	Very high	50 Å²	50	27.7 Å²	27.7	27%	0.267	14%	0.141	S	C	.	.	P	Polyproline II helix	trans	-80	129.3	178.7	-162.1	-30	0	0	0	111.3	K132	D130-K132 WeakPolarHBondContact OD1-CB 3.26Å; D130-K132 WeakPolarHBondContact OD1-CE 3.38Å; D130-K132 PolarHBondContact OD1-N 3.27Å; D130-K132 IonicContact OD1-NZ 3.64Å; D130-K132 WeakPolarHBondContact OD2-CE 3.42Å; D130-K132 IonicContact OD2-NZ 2.97Å; D130-K132 PolarHBondContact OD2-NZ 3.16Å
131	I	91	Very high	91.5	Very high	13 Å²	13	27 Å²	27	7%	0.067	13%	0.132	C	C	.	.	S	Bend	trans	-92.5	-12.5	-179.1	-160.6	168.6	0	0	0	113.4	G133 P134 L135 T159 A237 N238 L239 F259	I131-G133 PolarHBondContact O-N 2.9Å; I131-P134 WeakPolarHBondContact O-CD 3.45Å; I131-L135 VanDerWaalsContact O-CB 3.27Å; I131-L135 WeakPolarHBondContact O-CB 3.25Å; I131-L135 PolarHBondContact O-N 2.98Å; I131-T159 HydrophobicContact CG2-CG2 3.81Å; I131-A237 VanDerWaalsContact CD1-C 3.44Å; I131-A237 HydrophobicContact CD1-CB 4.41Å; I131-A237 WeakPolarHBondContact CD1-O 3.46Å; I131-N238 WeakPolarHBondContact CD1-O 3.41Å; I131-L239 HydrophobicContact CD1-CD2 4.09Å; I131-L239 HydrophobicContact CD1-CG 4.36Å; I131-L239 HydrophobicContact CG1-CD2 4.24Å; I131-F259 HydrophobicContact CD1-CD2 4.05Å; I131-F259 HydrophobicContact CG1-CD2 4.32Å
132	K	90.7	Very high	91.8	Very high	50 Å²	50	25.9 Å²	25.9	22%	0.217	13%	0.125	C	C	.	.	H	α-helix	trans	-60.2	-47.7	-178	-73.9	167.8	-69.9	175.7	0	111.9	D130 L135 L136 T159 V162	D130-K132 WeakPolarHBondContact OD1-CB 3.26Å; D130-K132 WeakPolarHBondContact OD1-CE 3.38Å; D130-K132 PolarHBondContact OD1-N 3.27Å; D130-K132 IonicContact OD1-NZ 3.64Å; D130-K132 WeakPolarHBondContact OD2-CE 3.42Å; D130-K132 IonicContact OD2-NZ 2.97Å; D130-K132 PolarHBondContact OD2-NZ 3.16Å; K132-L135 PolarHBondContact O-N 3.45Å; K132-L136 WeakPolarHBondContact O-CB 3.35Å; K132-L136 WeakPolarHBondContact O-CD1 3.4Å; K132-L136 WeakPolarHBondContact O-CG 3.31Å; K132-L136 PolarHBondContact O-N 3.46Å; K132-T159 HydrophobicContact CG-CG2 3.93Å; K132-V162 HydrophobicContact CD-CB 4.13Å; K132-V162 HydrophobicContact CD-CG2 3.84Å
133	G	89.5	Confident	91.9	Very high	22 Å²	22	28.4 Å²	28.4	23%	0.227	13%	0.134	C	C	.	.	H	α-helix	trans	-57.5	-54.4	178.7	0	0	0	0	0	113.5	I131 L135 S137 W387	I131-G133 PolarHBondContact O-N 2.9Å; G133-L135 PolarHBondContact O-N 3.48Å; G133-S137 WeakPolarHBondContact O-CB 3.03Å; G133-S137 PolarHBondContact O-N 3.19Å; G133-S137 VanDerWaalsContact O-N 3.17Å; G133-S137 PolarHBondContact O-OG 3.47Å; G133-W387 VanDerWaalsContact C-CE2 3.46Å; G133-W387 VanDerWaalsContact C-CZ2 3.49Å; G133-W387 VanDerWaalsContact CA-CZ2 3.49Å; G133-W387 PolarHBondContact O-NE1 2.89Å
134	P	91.9	Very high	91.8	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.006	14%	0.135	C	C	.	.	H	α-helix	trans	-53.7	-48.6	171.8	-27.8	32.5	0	0	0	113.8	I131 S137 L138 F259 V371 W387	I131-P134 WeakPolarHBondContact O-CD 3.45Å; P134-S137 PolarHBondContact O-N 3.38Å; P134-L138 PolarHBondContact O-N 3.44Å; P134-F259 HydrophobicContact CB-CD1 3.84Å; P134-F259 HydrophobicContact CB-CE1 3.65Å; P134-F259 HydrophobicContact CB-CZ 4.29Å; P134-V371 HydrophobicContact CG-CB 4.29Å; P134-V371 HydrophobicContact CG-CG2 3.95Å; P134-W387 HydrophobicContact CB-CB 4.37Å; P134-W387 HydrophobicContact CB-CD2 4.29Å; P134-W387 HydrophobicContact CB-CG 4.16Å; P134-W387 HydrophobicContact CG-CB 4.4Å; P134-W387 HydrophobicContact CG-CD2 3.69Å; P134-W387 HydrophobicContact CG-CE3 3.63Å; P134-W387 HydrophobicContact CG-CG 4.04Å; P134-W387 HydrophobicContact CG-CZ3 4.12Å
135	L	93.4	Very high	91.5	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-61.9	-49.7	-175.6	-178.4	60.5	0	0	0	112.4	I131 K132 G133 S137 L138 I139 Y149 V163 I207 I235 A237 F259	I131-L135 VanDerWaalsContact O-CB 3.27Å; I131-L135 WeakPolarHBondContact O-CB 3.25Å; I131-L135 PolarHBondContact O-N 2.98Å; K132-L135 PolarHBondContact O-N 3.45Å; G133-L135 PolarHBondContact O-N 3.48Å; L135-S137 VanDerWaalsContact C-N 3.31Å; L135-S137 PolarHBondContact O-N 2.93Å; L135-L138 PolarHBondContact O-N 3.44Å; L135-I139 HydrophobicContact CD1-CD1 4.37Å; L135-I139 HydrophobicContact CG-CD1 4.18Å; L135-I139 WeakPolarHBondContact O-CG1 3.2Å; L135-I139 PolarHBondContact O-N 2.56Å; L135-I139 VanDerWaalsContact O-N 3.08Å; L135-Y149 HydrophobicContact CD2-CE2 4.33Å; L135-V163 HydrophobicContact CD2-CG2 4.33Å; L135-I207 HydrophobicContact CD1-CD1 4.5Å; L135-I207 HydrophobicContact CD1-CG2 4.15Å; L135-I235 HydrophobicContact CD1-CG2 3.98Å; L135-A237 HydrophobicContact CD1-CB 4.38Å; L135-A237 HydrophobicContact CD2-CB 4.23Å; L135-F259 HydrophobicContact CB-CZ 4.42Å; L135-F259 HydrophobicContact CD1-CE2 4.13Å; L135-F259 HydrophobicContact CD1-CZ 4.31Å
136	L	92.4	Very high	91.2	Very high	24 Å²	24	36.5 Å²	36.5	13%	0.126	17%	0.174	C	C	.	.	H	α-helix	trans	-61	-41.5	178	-65.8	162.8	0	0	0	111.7	K132 L138 I139 E140 V162 V163 I166 W172	K132-L136 WeakPolarHBondContact O-CB 3.35Å; K132-L136 WeakPolarHBondContact O-CD1 3.4Å; K132-L136 WeakPolarHBondContact O-CG 3.31Å; K132-L136 PolarHBondContact O-N 3.46Å; L136-L138 VanDerWaalsContact C-N 3.29Å; L136-L138 PolarHBondContact O-N 2.97Å; L136-I139 PolarHBondContact O-N 2.99Å; L136-E140 PolarHBondContact O-N 3.26Å; L136-V162 HydrophobicContact CD1-CG1 3.91Å; L136-V163 HydrophobicContact CD2-CG2 4.12Å; L136-I166 HydrophobicContact CD1-CD1 3.45Å; L136-I166 VanDerWaalsContact CD1-CD1 3.45Å; L136-I166 HydrophobicContact CD2-CB 4.3Å; L136-I166 HydrophobicContact CD2-CD1 3.63Å; L136-I166 HydrophobicContact CD2-CG2 4.32Å; L136-I166 HydrophobicContact CG-CD1 4.13Å; L136-W172 HydrophobicContact CD2-CZ3 4.39Å
137	S	91.8	Very high	91.2	Very high	16 Å²	16	36.4 Å²	36.4	11%	0.112	17%	0.173	C	C	.	.	H	α-helix	trans	-66.4	-32.8	179.8	-54.2	0	0	0	0	111.9	G133 P134 L135 Y141 W387	G133-S137 WeakPolarHBondContact O-CB 3.03Å; G133-S137 PolarHBondContact O-N 3.19Å; G133-S137 VanDerWaalsContact O-N 3.17Å; G133-S137 PolarHBondContact O-OG 3.47Å; P134-S137 PolarHBondContact O-N 3.38Å; L135-S137 VanDerWaalsContact C-N 3.31Å; L135-S137 PolarHBondContact O-N 2.93Å; S137-Y141 VanDerWaalsContact O-CB 3.32Å; S137-Y141 WeakPolarHBondContact O-CB 3.01Å; S137-Y141 PolarHBondContact O-N 3.35Å; S137-W387 PolarHBondContact OG-NE1 3.32Å
138	L	92.8	Very high	91.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-71.9	-37.9	174.9	-170.1	62.2	0	0	0	112.4	P134 L135 L136 Y141 Y142 I235 F259 V373 M393	P134-L138 PolarHBondContact O-N 3.44Å; L135-L138 PolarHBondContact O-N 3.44Å; L136-L138 VanDerWaalsContact C-N 3.29Å; L136-L138 PolarHBondContact O-N 2.97Å; L138-Y141 HydrophobicContact CD1-CD1 4.18Å; L138-Y141 PolarHBondContact O-N 2.85Å; L138-Y142 HydrophobicContact CD1-CD2 3.88Å; L138-Y142 HydrophobicContact CD1-CE2 3.45Å; L138-Y142 VanDerWaalsContact CD1-CE2 3.45Å; L138-Y142 HydrophobicContact CD2-CE2 4.21Å; L138-Y142 HydrophobicContact CG-CD2 3.88Å; L138-Y142 HydrophobicContact CG-CE2 3.71Å; L138-Y142 WeakPolarHBondContact O-CD2 3.01Å; L138-Y142 PolarHBondContact O-N 3.41Å; L138-I235 HydrophobicContact CD2-CD1 4.19Å; L138-I235 HydrophobicContact CD2-CG1 4.45Å; L138-I235 HydrophobicContact CD2-CG2 4Å; L138-I235 HydrophobicContact CG-CD1 4.37Å; L138-F259 HydrophobicContact CB-CE1 4.23Å; L138-F259 HydrophobicContact CB-CZ 3.97Å; L138-F259 HydrophobicContact CD2-CE1 3.88Å; L138-F259 HydrophobicContact CD2-CE2 4.21Å; L138-F259 HydrophobicContact CD2-CZ 3.44Å; L138-F259 VanDerWaalsContact CD2-CZ 3.44Å; L138-F259 HydrophobicContact CG-CZ 4.34Å; L138-V373 HydrophobicContact CD1-CG1 3.77Å; L138-V373 HydrophobicContact CD2-CG1 4.43Å; L138-M393 HydrophobicContact CD1-CE 3.78Å; L138-M393 HydrophobicContact CD1-SD 3.92Å
139	I	92.9	Very high	91.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-64.3	-42.9	174	-63.6	165.1	0	0	0	110.4	L135 L136 K143 W144 F147 W172 I207	L135-I139 HydrophobicContact CD1-CD1 4.37Å; L135-I139 HydrophobicContact CG-CD1 4.18Å; L135-I139 WeakPolarHBondContact O-CG1 3.2Å; L135-I139 PolarHBondContact O-N 2.56Å; L135-I139 VanDerWaalsContact O-N 3.08Å; L136-I139 PolarHBondContact O-N 2.99Å; I139-K143 PolarHBondContact O-N 3.21Å; I139-K143 VanDerWaalsContact O-N 3.07Å; I139-W144 HydrophobicContact CG2-CB 4.11Å; I139-W144 PolarHBondContact O-N 3.33Å; I139-F147 HydrophobicContact CD1-CZ 4.24Å; I139-F147 HydrophobicContact CG2-CE1 3.98Å; I139-F147 HydrophobicContact CG2-CZ 4.3Å; I139-W172 HydrophobicContact CB-CH2 4.15Å; I139-W172 HydrophobicContact CG2-CE3 4.34Å; I139-W172 HydrophobicContact CG2-CH2 3.5Å; I139-W172 VanDerWaalsContact CG2-CH2 3.5Å; I139-W172 HydrophobicContact CG2-CZ2 3.71Å; I139-W172 HydrophobicContact CG2-CZ3 3.84Å; I139-I207 HydrophobicContact CD1-CD1 3.63Å; I139-I207 HydrophobicContact CG1-CD1 3.97Å
140	E	90.4	Very high	91.4	Very high	81 Å²	81	35.3 Å²	35.3	38%	0.379	17%	0.169	S	C	.	.	H	α-helix	trans	-65.1	-40.5	173.2	-71.1	-163.7	131.9	0	0	112.4	L136 K143 K170 W172	L136-E140 PolarHBondContact O-N 3.26Å; E140-K143 WeakPolarHBondContact O-CG 3.3Å; E140-K143 PolarHBondContact O-N 3.15Å; E140-K143 VanDerWaalsContact O-N 3.1Å; E140-K170 WeakPolarHBondContact OE1-CE 3.14Å; E140-K170 IonicContact OE1-NZ 2.68Å; E140-K170 PolarHBondContact OE1-NZ 2.99Å; E140-W172 HydrophobicContact CG-CH2 4.41Å; E140-W172 HydrophobicContact CG-CZ2 4.25Å
141	Y	89.9	Confident	91.5	Very high	89 Å²	89	34.9 Å²	34.9	35%	0.349	16%	0.164	S	C	.	.	H	α-helix	trans	-59.9	-48.5	177.2	172.2	-105.5	0	0	0	112.4	S137 L138 K143 I384 M393 V395	S137-Y141 VanDerWaalsContact O-CB 3.32Å; S137-Y141 WeakPolarHBondContact O-CB 3.01Å; S137-Y141 PolarHBondContact O-N 3.35Å; L138-Y141 HydrophobicContact CD1-CD1 4.18Å; L138-Y141 PolarHBondContact O-N 2.85Å; Y141-K143 PolarHBondContact O-N 3.22Å; Y141-I384 HydrophobicContact CE1-CD1 4.45Å; Y141-M393 HydrophobicContact CD1-CE 3.63Å; Y141-M393 HydrophobicContact CD1-SD 4.24Å; Y141-M393 HydrophobicContact CD2-CE 4.12Å; Y141-M393 HydrophobicContact CD2-SD 4.37Å; Y141-M393 HydrophobicContact CE1-CE 3.97Å; Y141-M393 HydrophobicContact CE2-CE 4.45Å; Y141-M393 HydrophobicContact CG-CE 3.7Å; Y141-M393 HydrophobicContact CG-SD 3.84Å; Y141-V395 HydrophobicContact CD2-CG2 4.18Å; Y141-V395 HydrophobicContact CE2-CG2 3.5Å
142	Y	89.4	Confident	91.4	Very high	44 Å²	44	34.6 Å²	34.6	17%	0.173	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-3.4	175.7	-69	-56	0	0	0	113.7	L138 W144 H233 I235 S257 E375	L138-Y142 HydrophobicContact CD1-CD2 3.88Å; L138-Y142 HydrophobicContact CD1-CE2 3.45Å; L138-Y142 VanDerWaalsContact CD1-CE2 3.45Å; L138-Y142 HydrophobicContact CD2-CE2 4.21Å; L138-Y142 HydrophobicContact CG-CD2 3.88Å; L138-Y142 HydrophobicContact CG-CE2 3.71Å; L138-Y142 WeakPolarHBondContact O-CD2 3.01Å; L138-Y142 PolarHBondContact O-N 3.41Å; Y142-W144 VanDerWaalsContact C-N 3.31Å; Y142-W144 PolarHBondContact O-N 3.43Å; Y142-H233 AromaticContact CD1-CE1 3.92Å; Y142-H233 AromaticContact CD2-CE1 3.91Å; Y142-H233 AromaticContact CE1-CE1 3.69Å; Y142-H233 AromaticContact CE2-CE1 3.68Å; Y142-H233 AromaticContact CE2-NE2 3.84Å; Y142-H233 AromaticContact CZ-CE1 3.56Å; Y142-H233 AromaticContact CZ-NE2 3.84Å; Y142-I235 HydrophobicContact CD2-CD1 4.24Å; Y142-S257 PolarHBondContact OH-OG 2.87Å; Y142-E375 PolarHBondContact OH-OE1 3.1Å
143	K	88.7	Confident	91.1	Very high	174 Å²	174	33.9 Å²	33.9	76%	0.757	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.3	44.1	178.8	-56.3	176.7	-175	175.4	0	113	I139 E140 Y141	I139-K143 PolarHBondContact O-N 3.21Å; I139-K143 VanDerWaalsContact O-N 3.07Å; E140-K143 WeakPolarHBondContact O-CG 3.3Å; E140-K143 PolarHBondContact O-N 3.15Å; E140-K143 VanDerWaalsContact O-N 3.1Å; Y141-K143 PolarHBondContact O-N 3.22Å
144	W	91.1	Very high	90.7	Very high	8 Å²	8	35.6 Å²	35.6	3%	0.03	17%	0.168	C	C	.	.			trans	-74.2	136.6	177.6	-72.5	10.5	0	0	0	111.4	I139 Y142 F147 W172 R205 I207 H233 I235	I139-W144 HydrophobicContact CG2-CB 4.11Å; I139-W144 PolarHBondContact O-N 3.33Å; Y142-W144 VanDerWaalsContact C-N 3.31Å; Y142-W144 PolarHBondContact O-N 3.43Å; W144-F147 HydrophobicContact CB-CD1 4.07Å; W144-F147 HydrophobicContact CB-CE1 4.49Å; W144-F147 HydrophobicContact CE3-CB 3.69Å; W144-F147 AromaticContact CE3-CD1 3.95Å; W144-F147 HydrophobicContact CE3-CD1 3.95Å; W144-F147 AromaticContact CE3-CG 3.85Å; W144-F147 HydrophobicContact CE3-CG 3.85Å; W144-F147 HydrophobicContact CZ3-CB 3.96Å; W144-F147 HydrophobicContact CZ3-CG 4.35Å; W144-W172 PolarHBondContact O-NE1 3.36Å; W144-W172 VanDerWaalsContact O-NE1 3.15Å; W144-R205 HydrophobicContact CD2-CB 4.11Å; W144-R205 HydrophobicContact CD2-CG 3.99Å; W144-R205 HydrophobicContact CE3-CB 3.92Å; W144-R205 HydrophobicContact CE3-CG 4.33Å; W144-R205 HydrophobicContact CH2-CB 3.7Å; W144-R205 HydrophobicContact CH2-CG 4.08Å; W144-R205 HydrophobicContact CZ2-CB 3.92Å; W144-R205 HydrophobicContact CZ2-CG 3.74Å; W144-R205 HydrophobicContact CZ3-CB 3.71Å; W144-R205 HydrophobicContact CZ3-CG 4.36Å; W144-I207 HydrophobicContact CE3-CD1 4.48Å; W144-I207 HydrophobicContact CZ3-CD1 4.13Å; W144-I207 HydrophobicContact CZ3-CG1 3.75Å; W144-H233 HydrophobicContact CZ2-CB 3.97Å; W144-H233 AromaticContact CZ2-CG 3.65Å; W144-H233 AromaticContact CZ2-ND1 3.63Å; W144-I235 HydrophobicContact CE3-CD1 4.25Å; W144-I235 HydrophobicContact CH2-CD1 3.45Å; W144-I235 VanDerWaalsContact CH2-CD1 3.45Å; W144-I235 HydrophobicContact CH2-CG1 3.65Å; W144-I235 HydrophobicContact CZ2-CD1 3.83Å; W144-I235 HydrophobicContact CZ2-CG1 4.15Å; W144-I235 HydrophobicContact CZ3-CD1 3.68Å; W144-I235 HydrophobicContact CZ3-CG1 4.24Å
145	D	86.6	Confident	89.9	Confident	96 Å²	96	36.7 Å²	36.7	51%	0.513	17%	0.171	S	C	.	.	S	Bend	trans	-114.7	-32	179.1	60.5	-29.5	0	0	0	112.4	W172 H173 R205	D145-W172 CarbonylContact O-C 3.55Å; D145-W172 WeakPolarHBondContact O-CA 3.14Å; D145-H173 PolarHBondContact O-N 3.33Å; D145-R205 IonicContact OD1-CZ 2.78Å; D145-R205 IonicContact OD1-NH1 2.64Å; D145-R205 PolarHBondContact OD1-NH1 3.26Å; D145-R205 IonicContact OD1-NH2 2.64Å
146	K	89.7	Confident	89.2	Confident	72 Å²	72	36.8 Å²	36.8	31%	0.313	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	131.8	177.7	-179.1	170.9	-177.9	-77.2	0	110.4	H173 K201 E203 R205	K146-H173 WeakPolarHBondContact CA-O 3.45Å; K146-H173 HydrophobicContact CB-CB 4.07Å; K146-H173 HydrophobicContact CD-CB 4.43Å; K146-H173 HydrophobicContact CG-CB 3.99Å; K146-K201 PolarHBondContact NZ-O 2.97Å; K146-E203 WeakPolarHBondContact CE-OE1 3.4Å; K146-E203 IonicContact NZ-OE1 2.92Å; K146-E203 PolarHBondContact NZ-OE1 2.93Å; K146-E203 IonicContact NZ-OE2 2.66Å; K146-E203 PolarHBondContact NZ-OE2 3.2Å; K146-R205 VanDerWaalsContact O-CD 3.23Å; K146-R205 WeakPolarHBondContact O-CD 3.35Å; K146-R205 PolarHBondContact O-NH1 3.4Å; K146-R205 VanDerWaalsContact O-NH1 3.13Å
147	F	93.9	Very high	88.9	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	160.9	179	54.8	-89.6	0	0	0	112.9	I139 W144 V163 W172 H173 V174 T175 R205 I207	I139-F147 HydrophobicContact CD1-CZ 4.24Å; I139-F147 HydrophobicContact CG2-CE1 3.98Å; I139-F147 HydrophobicContact CG2-CZ 4.3Å; W144-F147 HydrophobicContact CB-CD1 4.07Å; W144-F147 HydrophobicContact CB-CE1 4.49Å; W144-F147 HydrophobicContact CE3-CB 3.69Å; W144-F147 AromaticContact CE3-CD1 3.95Å; W144-F147 HydrophobicContact CE3-CD1 3.95Å; W144-F147 AromaticContact CE3-CG 3.85Å; W144-F147 HydrophobicContact CE3-CG 3.85Å; W144-F147 HydrophobicContact CZ3-CB 3.96Å; W144-F147 HydrophobicContact CZ3-CG 4.35Å; F147-V163 HydrophobicContact CE2-CG1 4.27Å; F147-V163 HydrophobicContact CZ-CG1 4.31Å; F147-W172 HydrophobicContact CE1-CB 4.37Å; F147-W172 HydrophobicContact CE1-CD2 4.28Å; F147-W172 HydrophobicContact CE1-CE3 4.18Å; F147-W172 HydrophobicContact CE1-CG 4.42Å; F147-W172 HydrophobicContact CZ-CE3 4.1Å; F147-H173 PolarHBondContact N-O 3.29Å; F147-V174 HydrophobicContact CD2-CG1 4.28Å; F147-V174 HydrophobicContact CD2-CG2 4.45Å; F147-V174 HydrophobicContact CE1-CG2 4.11Å; F147-V174 HydrophobicContact CE2-CB 4.41Å; F147-V174 HydrophobicContact CE2-CG1 3.89Å; F147-V174 HydrophobicContact CE2-CG2 3.75Å; F147-V174 HydrophobicContact CZ-CG2 3.57Å; F147-V174 WeakPolarHBondContact O-CA 3.47Å; F147-T175 PolarHBondContact O-N 3.3Å; F147-R205 HydrophobicContact CB-CB 3.79Å; F147-I207 HydrophobicContact CD2-CD1 3.73Å; F147-I207 HydrophobicContact CD2-CG1 4.07Å; F147-I207 HydrophobicContact CE2-CD1 3.66Å; F147-I207 HydrophobicContact CE2-CG1 4.46Å; F147-I207 HydrophobicContact CZ-CD1 4.39Å
148	A	94.6	Very high	88.7	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	148.8	168	0	0	0	0	0	111.1	T175 L198 E203 R205 V206 I207	A148-T175 CarbonylContact C-O 3.57Å; A148-T175 WeakPolarHBondContact CA-O 3.44Å; A148-L198 HydrophobicContact CB-CD2 3.62Å; A148-E203 HydrophobicContact CB-CG 4.44Å; A148-R205 PolarHBondContact N-O 3.28Å; A148-V206 HydrophobicContact CB-CG1 4.5Å; A148-V206 HydrophobicContact CB-CG2 4.43Å; A148-V206 WeakPolarHBondContact O-CA 3.33Å; A148-I207 PolarHBondContact O-N 3.21Å
149	Y	95.1	Very high	88.5	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	100.9	-179.8	-169.6	-85.4	0	0	0	109.2	L135 Y151 T159 L160 V163 T175 A176 I177 I207 D209	L135-Y149 HydrophobicContact CD2-CE2 4.33Å; Y149-Y151 HydrophobicContact CD1-CD1 4.06Å; Y149-Y151 HydrophobicContact CD1-CG 4.42Å; Y149-Y151 HydrophobicContact CE1-CD1 4.42Å; Y149-Y151 HydrophobicContact CE1-CG 4.36Å; Y149-T159 WeakPolarHBondContact OH-CB 3.39Å; Y149-T159 PolarHBondContact OH-OG1 2.82Å; Y149-L160 HydrophobicContact CD1-CD1 3.73Å; Y149-L160 HydrophobicContact CE1-CB 3.96Å; Y149-L160 HydrophobicContact CE1-CD1 3.84Å; Y149-L160 HydrophobicContact CE1-CG 4.44Å; Y149-L160 HydrophobicContact CG-CD1 4.49Å; Y149-V163 HydrophobicContact CD2-CG1 4.38Å; Y149-V163 HydrophobicContact CE2-CG1 4.4Å; Y149-V163 HydrophobicContact CE2-CG2 4.23Å; Y149-T175 PolarHBondContact N-O 3.18Å; Y149-A176 CarbonylContact O-C 3.48Å; Y149-A176 WeakPolarHBondContact O-CA 3.34Å; Y149-I177 PolarHBondContact O-N 3.09Å; Y149-I207 HydrophobicContact CD2-CB 3.77Å; Y149-I207 HydrophobicContact CD2-CD1 4.16Å; Y149-I207 HydrophobicContact CD2-CG1 4.41Å; Y149-I207 HydrophobicContact CD2-CG2 3.88Å; Y149-I207 HydrophobicContact CE2-CB 4.28Å; Y149-I207 HydrophobicContact CE2-CG2 3.85Å; Y149-D209 HydrophobicContact CE1-CB 4.17Å; Y149-D209 PolarHBondContact OH-OD2 3.26Å
150	L	93.6	Very high	88.5	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	124.8	176.9	-55.4	-173.5	0	0	0	108.7	I177 V179 L194 F195 V206 I207 L208 D209	L150-I177 WeakPolarHBondContact CA-O 3.39Å; L150-I177 HydrophobicContact CD2-CB 3.86Å; L150-I177 HydrophobicContact CD2-CD1 4.2Å; L150-I177 HydrophobicContact CD2-CG1 4.32Å; L150-V179 HydrophobicContact CB-CG1 4.16Å; L150-V179 HydrophobicContact CB-CG2 4.44Å; L150-V179 HydrophobicContact CD1-CG1 4.46Å; L150-V179 HydrophobicContact CD2-CG1 4.28Å; L150-L194 HydrophobicContact CD1-CD2 4.14Å; L150-L194 HydrophobicContact CD2-CD1 4.28Å; L150-L194 HydrophobicContact CD2-CD2 4.17Å; L150-F195 HydrophobicContact CD1-CE1 4.48Å; L150-F195 HydrophobicContact CD1-CZ 4.25Å; L150-V206 HydrophobicContact CD1-CG1 3.99Å; L150-V206 HydrophobicContact CG-CG1 3.96Å; L150-I207 PolarHBondContact N-O 2.86Å; L150-L208 HydrophobicContact CB-CD2 3.99Å; L150-L208 HydrophobicContact CD1-CD2 3.8Å; L150-L208 HydrophobicContact CG-CD2 4.21Å; L150-D209 PolarHBondContact O-N 3.47Å
151	Y	92.1	Very high	88.5	Confident	42 Å²	42	41.8 Å²	41.8	17%	0.165	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	150.8	-173.5	71.2	-88.4	0	0	0	113.4	Y149 L157 L160 A176 I177 N178 V179 D209	Y149-Y151 HydrophobicContact CD1-CD1 4.06Å; Y149-Y151 HydrophobicContact CD1-CG 4.42Å; Y149-Y151 HydrophobicContact CE1-CD1 4.42Å; Y149-Y151 HydrophobicContact CE1-CG 4.36Å; Y151-L157 HydrophobicContact CD2-CD2 3.72Å; Y151-L157 HydrophobicContact CE2-CD2 3.47Å; Y151-L157 VanDerWaalsContact CE2-CD2 3.47Å; Y151-L160 HydrophobicContact CD1-CD2 3.93Å; Y151-L160 HydrophobicContact CD2-CD2 4.17Å; Y151-L160 HydrophobicContact CE1-CD2 3.62Å; Y151-L160 HydrophobicContact CE2-CD2 3.91Å; Y151-L160 HydrophobicContact CG-CD2 4.18Å; Y151-A176 HydrophobicContact CE1-CB 4.21Å; Y151-I177 VanDerWaalsContact CD1-O 3.23Å; Y151-I177 WeakPolarHBondContact CD1-O 3.3Å; Y151-I177 VanDerWaalsContact CE1-C 3.41Å; Y151-I177 PolarHBondContact N-O 2.99Å; Y151-N178 HydrophobicContact CE1-CB 4.2Å; Y151-N178 HydrophobicContact CE2-CB 3.87Å; Y151-N178 WeakPolarHBondContact O-CA 3.48Å; Y151-V179 WeakPolarHBondContact O-CG2 3.17Å; Y151-V179 PolarHBondContact O-N 3.36Å; Y151-D209 WeakPolarHBondContact CA-O 3.49Å
152	D	89.1	Confident	88.6	Confident	6 Å²	6	39.7 Å²	39.7	3%	0.032	20%	0.195	C	C	.	.			trans	-102.1	149.3	168.9	-148.8	-46.6	0	0	0	110.8	D154 G180 D209 C210 K214	D152-D154 PolarHBondContact OD1-N 3.36Å; D152-G180 VanDerWaalsContact CG-CA 3.42Å; D152-G180 VanDerWaalsContact OD1-CA 3.24Å; D152-G180 WeakPolarHBondContact OD1-CA 3.31Å; D152-G180 VanDerWaalsContact OD2-CA 3.31Å; D152-G180 WeakPolarHBondContact OD2-CA 3.35Å; D152-D209 PolarHBondContact N-O 3.24Å; D152-C210 HydrophobicContact CB-CB 4.45Å; D152-K214 WeakPolarHBondContact OD2-CD 3.4Å; D152-K214 WeakPolarHBondContact OD2-CE 3.42Å; D152-K214 IonicContact OD2-NZ 2.94Å; D152-K214 PolarHBondContact OD2-NZ 2.94Å
153	S	85.1	Confident	88.7	Confident	35 Å²	35	37.7 Å²	37.7	25%	0.245	19%	0.187	C	C	.	.	S	Bend	trans	-79	-26.2	178.6	41.4	0	0	0	0	113.4	R155 G156	S153-R155 VanDerWaalsContact C-N 3.33Å; S153-R155 PolarHBondContact O-N 2.91Å; S153-G156 WeakPolarHBondContact O-CA 3.49Å; S153-G156 PolarHBondContact O-N 2.91Å
154	D	79.3	Confident	88.9	Confident	59 Å²	59	33.1 Å²	33.1	32%	0.316	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-26.1	-169.2	-69.7	-29.8	0	0	0	113	K94 D152 G156	K94-D154 IonicContact NZ-OD1 3.19Å; K94-D154 PolarHBondContact NZ-OD1 2.91Å; D152-D154 PolarHBondContact OD1-N 3.36Å; D154-G156 VanDerWaalsContact C-N 3.28Å; D154-G156 PolarHBondContact O-N 2.9Å
155	R	76.2	Confident	89	Confident	23 Å²	23	37.5 Å²	37.5	9%	0.087	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-6.5	169.6	-75	177.7	52	173.2	-9.6	114.2	F115 S153 D209 C210 E211 A237	F115-R155 WeakPolarHBondContact CG-O 3.35Å; S153-R155 VanDerWaalsContact C-N 3.33Å; S153-R155 PolarHBondContact O-N 2.91Å; R155-D209 IonicContact CZ-OD1 2.72Å; R155-D209 IonicContact NE-OD1 3.46Å; R155-D209 PolarHBondContact NE-OD1 2.95Å; R155-D209 IonicContact NH1-OD1 3.94Å; R155-D209 PolarHBondContact NH1-OD1 2.87Å; R155-D209 IonicContact NH2-OD1 2.69Å; R155-D209 PolarHBondContact NH2-OD1 3.03Å; R155-C210 PolarHBondContact NH1-O 3.43Å; R155-E211 HydrophobicContact CG-CG 3.88Å; R155-A237 VanDerWaalsContact CZ-O 3.31Å; R155-A237 PolarHBondContact NH1-O 3.3Å; R155-A237 PolarHBondContact NH2-O 2.87Å
156	G	79	Confident	89.2	Confident	4 Å²	4	35 Å²	35	4%	0.041	18%	0.18	C	C	.	.			trans	82.8	158.2	-172.8	0	0	0	0	0	114.1	S153 D154 T158	S153-G156 WeakPolarHBondContact O-CA 3.49Å; S153-G156 PolarHBondContact O-N 2.91Å; D154-G156 VanDerWaalsContact C-N 3.28Å; D154-G156 PolarHBondContact O-N 2.9Å; G156-T158 PolarHBondContact O-N 2.98Å
157	L	86.6	Confident	89.3	Confident	72 Å²	72	31.9 Å²	31.9	38%	0.377	17%	0.169	S	C	.	.	S	Bend	trans	-94.6	15.8	-170.1	-54.5	177.6	0	0	0	114.1	Y151 L160 Q161	Y151-L157 HydrophobicContact CD2-CD2 3.72Å; Y151-L157 HydrophobicContact CE2-CD2 3.47Å; Y151-L157 VanDerWaalsContact CE2-CD2 3.47Å; L157-L160 PolarHBondContact O-N 2.76Å; L157-Q161 WeakPolarHBondContact O-CG 3.4Å; L157-Q161 PolarHBondContact O-N 2.92Å
158	T	86.7	Confident	89.1	Confident	19 Å²	19	35.8 Å²	35.8	12%	0.117	20%	0.201	C	C	.	.	H	α-helix	trans	-76.2	-33.9	-164.2	79.6	0	0	0	0	111.8	D118 G156 V162	D118-T158 WeakPolarHBondContact OD1-CG2 3.4Å; D118-T158 WeakPolarHBondContact OD2-CG2 3.34Å; G156-T158 PolarHBondContact O-N 2.98Å; T158-V162 PolarHBondContact O-N 3.4Å
159	T	89.6	Confident	88.9	Confident	10 Å²	10	42.2 Å²	42.2	6%	0.061	23%	0.234	C	C	.	.	H	α-helix	trans	-64.4	-50.5	169.6	45	0	0	0	0	111.2	I131 K132 Y149 Q161 V162 V163 D209	I131-T159 HydrophobicContact CG2-CG2 3.81Å; K132-T159 HydrophobicContact CG-CG2 3.93Å; Y149-T159 WeakPolarHBondContact OH-CB 3.39Å; Y149-T159 PolarHBondContact OH-OG1 2.82Å; T159-Q161 PolarHBondContact O-N 3Å; T159-V162 PolarHBondContact O-N 2.89Å; T159-V163 WeakPolarHBondContact O-CG2 3.39Å; T159-V163 PolarHBondContact O-N 2.84Å; T159-D209 WeakPolarHBondContact CB-OD2 3.42Å; T159-D209 PolarHBondContact OG1-OD2 2.88Å
160	L	91.5	Very high	88.6	Confident	14 Å²	14	46.9 Å²	46.9	7%	0.073	25%	0.254	C	S	.	.	H	α-helix	trans	-57.4	-46.1	177.9	174.1	62.1	0	0	0	112.1	Y149 Y151 L157 V163 L164 A176	Y149-L160 HydrophobicContact CD1-CD1 3.73Å; Y149-L160 HydrophobicContact CE1-CB 3.96Å; Y149-L160 HydrophobicContact CE1-CD1 3.84Å; Y149-L160 HydrophobicContact CE1-CG 4.44Å; Y149-L160 HydrophobicContact CG-CD1 4.49Å; Y151-L160 HydrophobicContact CD1-CD2 3.93Å; Y151-L160 HydrophobicContact CD2-CD2 4.17Å; Y151-L160 HydrophobicContact CE1-CD2 3.62Å; Y151-L160 HydrophobicContact CE2-CD2 3.91Å; Y151-L160 HydrophobicContact CG-CD2 4.18Å; L157-L160 PolarHBondContact O-N 2.76Å; L160-V163 PolarHBondContact O-N 3.46Å; L160-L164 HydrophobicContact CD1-CD1 3.83Å; L160-L164 HydrophobicContact CD1-CD2 4.49Å; L160-L164 HydrophobicContact CD1-CG 3.94Å; L160-L164 HydrophobicContact CG-CD1 3.95Å; L160-L164 HydrophobicContact CG-CG 4.43Å; L160-L164 VanDerWaalsContact O-CG 3.32Å; L160-L164 WeakPolarHBondContact O-CG 3.35Å; L160-L164 PolarHBondContact O-N 3.3Å; L160-A176 HydrophobicContact CD1-CB 3.78Å
161	Q	90.9	Very high	88.4	Confident	110 Å²	110	55 Å²	55	51%	0.514	29%	0.292	S	S	.	.	H	α-helix	trans	-56.2	-53.8	178.4	-77.6	172.1	-25.2	0	0	111.6	L157 T159 V163 L164 D165	L157-Q161 WeakPolarHBondContact O-CG 3.4Å; L157-Q161 PolarHBondContact O-N 2.92Å; T159-Q161 PolarHBondContact O-N 3Å; Q161-V163 VanDerWaalsContact C-N 3.3Å; Q161-V163 PolarHBondContact O-N 3.21Å; Q161-L164 PolarHBondContact O-N 3.34Å; Q161-D165 PolarHBondContact O-N 2.85Å
162	V	91.3	Very high	88.4	Confident	45 Å²	45	54.5 Å²	54.5	27%	0.273	29%	0.29	S	S	.	.	H	α-helix	trans	-66	-32.5	-178.9	179.5	0	0	0	0	112.3	K132 L136 T158 T159 I166	K132-V162 HydrophobicContact CD-CB 4.13Å; K132-V162 HydrophobicContact CD-CG2 3.84Å; L136-V162 HydrophobicContact CD1-CG1 3.91Å; T158-V162 PolarHBondContact O-N 3.4Å; T159-V162 PolarHBondContact O-N 2.89Å; V162-I166 HydrophobicContact CG1-CD1 3.89Å; V162-I166 WeakPolarHBondContact O-CB 3.37Å; V162-I166 WeakPolarHBondContact O-CG1 3.27Å; V162-I166 PolarHBondContact O-N 2.93Å; V162-I166 VanDerWaalsContact O-N 3.12Å
163	V	92.5	Very high	88.4	Confident	3 Å²	3	60.3 Å²	60.3	2%	0.018	32%	0.317	C	S	.	.	H	α-helix	trans	-65.7	-38.5	172.1	169.2	0	0	0	0	111.6	L135 L136 F147 Y149 T159 L160 Q161 A167	L135-V163 HydrophobicContact CD2-CG2 4.33Å; L136-V163 HydrophobicContact CD2-CG2 4.12Å; F147-V163 HydrophobicContact CE2-CG1 4.27Å; F147-V163 HydrophobicContact CZ-CG1 4.31Å; Y149-V163 HydrophobicContact CD2-CG1 4.38Å; Y149-V163 HydrophobicContact CE2-CG1 4.4Å; Y149-V163 HydrophobicContact CE2-CG2 4.23Å; T159-V163 WeakPolarHBondContact O-CG2 3.39Å; T159-V163 PolarHBondContact O-N 2.84Å; L160-V163 PolarHBondContact O-N 3.46Å; Q161-V163 VanDerWaalsContact C-N 3.3Å; Q161-V163 PolarHBondContact O-N 3.21Å; V163-A167 WeakPolarHBondContact O-CB 3.23Å; V163-A167 PolarHBondContact O-N 3.19Å
164	L	92.4	Very high	88.8	Confident	77 Å²	77	60.1 Å²	60.1	40%	0.403	31%	0.314	S	S	.	.	H	α-helix	trans	-72.3	-40.8	177.1	-69.7	173.4	0	0	0	112.7	L160 Q161 I166 A167 A168 V174	L160-L164 HydrophobicContact CD1-CD1 3.83Å; L160-L164 HydrophobicContact CD1-CD2 4.49Å; L160-L164 HydrophobicContact CD1-CG 3.94Å; L160-L164 HydrophobicContact CG-CD1 3.95Å; L160-L164 HydrophobicContact CG-CG 4.43Å; L160-L164 VanDerWaalsContact O-CG 3.32Å; L160-L164 WeakPolarHBondContact O-CG 3.35Å; L160-L164 PolarHBondContact O-N 3.3Å; Q161-L164 PolarHBondContact O-N 3.34Å; L164-I166 VanDerWaalsContact C-N 3.32Å; L164-I166 PolarHBondContact O-N 2.7Å; L164-A167 WeakPolarHBondContact O-CB 3.41Å; L164-A167 PolarHBondContact O-N 3.02Å; L164-A168 PolarHBondContact O-N 3.33Å; L164-V174 HydrophobicContact CD2-CB 4.47Å
165	D	92.4	Very high	89.4	Confident	101 Å²	101	58.7 Å²	58.7	54%	0.54	31%	0.307	S	S	.	.	H	α-helix	trans	-60.1	-44.5	175.8	-67.1	-30	0	0	0	110.9	Q161 A168 I169	Q161-D165 PolarHBondContact O-N 2.85Å; D165-A168 PolarHBondContact O-N 3.44Å; D165-I169 WeakPolarHBondContact O-CG1 3.39Å; D165-I169 PolarHBondContact O-N 2.92Å
166	I	91.1	Very high	90.1	Very high	42 Å²	42	59.5 Å²	59.5	22%	0.215	32%	0.319	C	S	.	.	H	α-helix	trans	-73.7	-32.9	177.7	-68.3	170.7	0	0	0	111.2	L136 V162 L164 A168 I169 K170 W172	L136-I166 HydrophobicContact CD1-CD1 3.45Å; L136-I166 VanDerWaalsContact CD1-CD1 3.45Å; L136-I166 HydrophobicContact CD2-CB 4.3Å; L136-I166 HydrophobicContact CD2-CD1 3.63Å; L136-I166 HydrophobicContact CD2-CG2 4.32Å; L136-I166 HydrophobicContact CG-CD1 4.13Å; V162-I166 HydrophobicContact CG1-CD1 3.89Å; V162-I166 WeakPolarHBondContact O-CB 3.37Å; V162-I166 WeakPolarHBondContact O-CG1 3.27Å; V162-I166 PolarHBondContact O-N 2.93Å; V162-I166 VanDerWaalsContact O-N 3.12Å; L164-I166 VanDerWaalsContact C-N 3.32Å; L164-I166 PolarHBondContact O-N 2.7Å; I166-A168 VanDerWaalsContact C-N 3.29Å; I166-A168 PolarHBondContact O-N 2.85Å; I166-I169 PolarHBondContact O-N 2.66Å; I166-I169 VanDerWaalsContact O-N 3.14Å; I166-K170 HydrophobicContact CG2-CG 3.78Å; I166-K170 VanDerWaalsContact O-CB 3.29Å; I166-K170 WeakPolarHBondContact O-CB 3.3Å; I166-K170 VanDerWaalsContact O-CG 3.23Å; I166-K170 WeakPolarHBondContact O-CG 3.28Å; I166-K170 PolarHBondContact O-N 3.47Å; I166-W172 HydrophobicContact CG2-CE3 4.35Å; I166-W172 HydrophobicContact CG2-CH2 3.89Å; I166-W172 HydrophobicContact CG2-CZ3 3.71Å
167	A	91.6	Very high	90.7	Very high	8 Å²	8	61.5 Å²	61.5	7%	0.066	33%	0.328	C	S	.	.	H	α-helix	trans	-59.8	-39.1	172	0	0	0	0	0	112.3	V163 L164 I169 K170 E171 W172 V174	V163-A167 WeakPolarHBondContact O-CB 3.23Å; V163-A167 PolarHBondContact O-N 3.19Å; L164-A167 WeakPolarHBondContact O-CB 3.41Å; L164-A167 PolarHBondContact O-N 3.02Å; A167-I169 VanDerWaalsContact C-N 3.35Å; A167-K170 PolarHBondContact O-N 2.72Å; A167-E171 CarbonylContact O-C 3.5Å; A167-E171 WeakPolarHBondContact O-CA 3.32Å; A167-E171 PolarHBondContact O-N 3.09Å; A167-W172 HydrophobicContact CB-CB 3.79Å; A167-W172 HydrophobicContact CB-CE3 4.22Å; A167-W172 PolarHBondContact O-N 3.23Å; A167-V174 HydrophobicContact CB-CG2 3.74Å
168	A	90	Very high	90.9	Very high	82 Å²	82	60.4 Å²	60.4	68%	0.678	32%	0.323	S	S	*	.	H	α-helix	trans	-65.1	-36.3	174.2	0	0	0	0	0	112.7	L164 D165 I166	L164-A168 PolarHBondContact O-N 3.33Å; D165-A168 PolarHBondContact O-N 3.44Å; I166-A168 VanDerWaalsContact C-N 3.29Å; I166-A168 PolarHBondContact O-N 2.85Å
169	I	91.1	Very high	90.8	Very high	135 Å²	135	59.6 Å²	59.6	69%	0.692	32%	0.317	S	S	*	.	H	α-helix	trans	-75.1	-28.7	177.5	-64.4	165.4	0	0	0	112.3	D165 I166 A167	D165-I169 WeakPolarHBondContact O-CG1 3.39Å; D165-I169 PolarHBondContact O-N 2.92Å; I166-I169 PolarHBondContact O-N 2.66Å; I166-I169 VanDerWaalsContact O-N 3.14Å; A167-I169 VanDerWaalsContact C-N 3.35Å
170	K	88.2	Confident	90.2	Very high	98 Å²	98	59.7 Å²	59.7	43%	0.426	32%	0.321	S	S	.	.	H	α-helix	trans	-106.1	3.1	-173.7	-61.8	-75.4	-171.7	156.2	0	114.3	E140 I166 A167 W172	E140-K170 WeakPolarHBondContact OE1-CE 3.14Å; E140-K170 IonicContact OE1-NZ 2.68Å; E140-K170 PolarHBondContact OE1-NZ 2.99Å; I166-K170 HydrophobicContact CG2-CG 3.78Å; I166-K170 VanDerWaalsContact O-CB 3.29Å; I166-K170 WeakPolarHBondContact O-CB 3.3Å; I166-K170 VanDerWaalsContact O-CG 3.23Å; I166-K170 WeakPolarHBondContact O-CG 3.28Å; I166-K170 PolarHBondContact O-N 3.47Å; A167-K170 PolarHBondContact O-N 2.72Å; K170-W172 HydrophobicContact CB-CD2 3.85Å; K170-W172 HydrophobicContact CB-CG 3.91Å; K170-W172 HydrophobicContact CB-CZ2 4.23Å; K170-W172 HydrophobicContact CG-CD2 4.46Å; K170-W172 HydrophobicContact CG-CZ2 4.11Å; K170-W172 PolarHBondContact O-N 2.89Å
171	E	89.8	Confident	89.3	Confident	169 Å²	169	65.2 Å²	65.2	79%	0.79	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	29.2	-173.3	-55	-172	156.6	0	0	114.3	A167 H173	A167-E171 CarbonylContact O-C 3.5Å; A167-E171 WeakPolarHBondContact O-CA 3.32Å; A167-E171 PolarHBondContact O-N 3.09Å; E171-H173 PolarHBondContact O-ND1 3.09Å
172	W	92.1	Very high	88.2	Confident	33 Å²	33	62.3 Å²	62.3	13%	0.125	34%	0.338	C	S	.	.			trans	-72.3	133.6	-179.7	-63.5	-20.9	0	0	0	112.4	L136 I139 E140 W144 D145 F147 I166 A167 K170 V174	L136-W172 HydrophobicContact CD2-CZ3 4.39Å; I139-W172 HydrophobicContact CB-CH2 4.15Å; I139-W172 HydrophobicContact CG2-CE3 4.34Å; I139-W172 HydrophobicContact CG2-CH2 3.5Å; I139-W172 VanDerWaalsContact CG2-CH2 3.5Å; I139-W172 HydrophobicContact CG2-CZ2 3.71Å; I139-W172 HydrophobicContact CG2-CZ3 3.84Å; E140-W172 HydrophobicContact CG-CH2 4.41Å; E140-W172 HydrophobicContact CG-CZ2 4.25Å; W144-W172 PolarHBondContact O-NE1 3.36Å; W144-W172 VanDerWaalsContact O-NE1 3.15Å; D145-W172 CarbonylContact O-C 3.55Å; D145-W172 WeakPolarHBondContact O-CA 3.14Å; F147-W172 HydrophobicContact CE1-CB 4.37Å; F147-W172 HydrophobicContact CE1-CD2 4.28Å; F147-W172 HydrophobicContact CE1-CE3 4.18Å; F147-W172 HydrophobicContact CE1-CG 4.42Å; F147-W172 HydrophobicContact CZ-CE3 4.1Å; I166-W172 HydrophobicContact CG2-CE3 4.35Å; I166-W172 HydrophobicContact CG2-CH2 3.89Å; I166-W172 HydrophobicContact CG2-CZ3 3.71Å; A167-W172 HydrophobicContact CB-CB 3.79Å; A167-W172 HydrophobicContact CB-CE3 4.22Å; A167-W172 PolarHBondContact O-N 3.23Å; K170-W172 HydrophobicContact CB-CD2 3.85Å; K170-W172 HydrophobicContact CB-CG 3.91Å; K170-W172 HydrophobicContact CB-CZ2 4.23Å; K170-W172 HydrophobicContact CG-CD2 4.46Å; K170-W172 HydrophobicContact CG-CZ2 4.11Å; K170-W172 PolarHBondContact O-N 2.89Å; W172-V174 HydrophobicContact CB-CG2 4.14Å; W172-V174 PolarHBondContact O-N 3.42Å
173	H	89.2	Confident	87	Confident	128 Å²	128	68 Å²	68	59%	0.593	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.3	84.2	-179.9	-71.1	56.2	0	0	0	110.3	D145 K146 F147 E171	D145-H173 PolarHBondContact O-N 3.33Å; K146-H173 WeakPolarHBondContact CA-O 3.45Å; K146-H173 HydrophobicContact CB-CB 4.07Å; K146-H173 HydrophobicContact CD-CB 4.43Å; K146-H173 HydrophobicContact CG-CB 3.99Å; F147-H173 PolarHBondContact N-O 3.29Å; E171-H173 PolarHBondContact O-ND1 3.09Å
174	V	93.2	Very high	85.8	Confident	30 Å²	30	73.4 Å²	73.4	18%	0.182	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	122.8	-176.6	-172.6	0	0	0	0	111.5	F147 L164 A167 W172	F147-V174 HydrophobicContact CD2-CG1 4.28Å; F147-V174 HydrophobicContact CD2-CG2 4.45Å; F147-V174 HydrophobicContact CE1-CG2 4.11Å; F147-V174 HydrophobicContact CE2-CB 4.41Å; F147-V174 HydrophobicContact CE2-CG1 3.89Å; F147-V174 HydrophobicContact CE2-CG2 3.75Å; F147-V174 HydrophobicContact CZ-CG2 3.57Å; F147-V174 WeakPolarHBondContact O-CA 3.47Å; L164-V174 HydrophobicContact CD2-CB 4.47Å; A167-V174 HydrophobicContact CB-CG2 3.74Å; W172-V174 HydrophobicContact CB-CG2 4.14Å; W172-V174 PolarHBondContact O-N 3.42Å
175	T	91.8	Very high	84.6	Confident	30 Å²	30	78.7 Å²	78.7	18%	0.184	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	94.8	166.5	-63.9	0	0	0	0	109.5	F147 A148 Y149 I177	F147-T175 PolarHBondContact O-N 3.3Å; A148-T175 CarbonylContact C-O 3.57Å; A148-T175 WeakPolarHBondContact CA-O 3.44Å; Y149-T175 PolarHBondContact N-O 3.18Å; T175-I177 HydrophobicContact CG2-CD1 3.91Å; T175-I177 HydrophobicContact CG2-CG1 3.97Å
176	A	91.9	Very high	83.8	Confident	39 Å²	39	80.1 Å²	80.1	32%	0.322	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	132.4	177	0	0	0	0	0	111.9	Y149 Y151 L160	Y149-A176 CarbonylContact O-C 3.48Å; Y149-A176 WeakPolarHBondContact O-CA 3.34Å; Y151-A176 HydrophobicContact CE1-CB 4.21Å; L160-A176 HydrophobicContact CD1-CB 3.78Å
177	I	90.7	Very high	83.2	Confident	47 Å²	47	79.8 Å²	79.8	24%	0.241	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	129	-178.6	-45.1	176.2	0	0	0	110.6	Y149 L150 Y151 T175 L194 L198	Y149-I177 PolarHBondContact O-N 3.09Å; L150-I177 WeakPolarHBondContact CA-O 3.39Å; L150-I177 HydrophobicContact CD2-CB 3.86Å; L150-I177 HydrophobicContact CD2-CD1 4.2Å; L150-I177 HydrophobicContact CD2-CG1 4.32Å; Y151-I177 VanDerWaalsContact CD1-O 3.23Å; Y151-I177 WeakPolarHBondContact CD1-O 3.3Å; Y151-I177 VanDerWaalsContact CE1-C 3.41Å; Y151-I177 PolarHBondContact N-O 2.99Å; T175-I177 HydrophobicContact CG2-CD1 3.91Å; T175-I177 HydrophobicContact CG2-CG1 3.97Å; I177-L194 HydrophobicContact CB-CD1 4.27Å; I177-L194 HydrophobicContact CD1-CD1 3.47Å; I177-L194 VanDerWaalsContact CD1-CD1 3.47Å; I177-L194 HydrophobicContact CG1-CD1 4.44Å; I177-L194 HydrophobicContact CG2-CD1 3.75Å; I177-L198 HydrophobicContact CD1-CD2 4.13Å
178	N	90.3	Very high	82.6	Confident	49 Å²	49	82.2 Å²	82.2	26%	0.262	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	125.1	176	-175.9	-21.5	0	0	0	110.2	Y151 G180	Y151-N178 HydrophobicContact CE1-CB 4.2Å; Y151-N178 HydrophobicContact CE2-CB 3.87Å; Y151-N178 WeakPolarHBondContact O-CA 3.48Å; N178-G180 PolarHBondContact OD1-N 2.89Å
179	V	85.8	Confident	82.3	Confident	1 Å²	1	84.1 Å²	84.1	1%	0.006	42%	0.416	C	S	.	.			trans	-110.4	-3.6	176.5	-66.4	0	0	0	0	113.7	L150 Y151 Y191 L194 C210 I218	L150-V179 HydrophobicContact CB-CG1 4.16Å; L150-V179 HydrophobicContact CB-CG2 4.44Å; L150-V179 HydrophobicContact CD1-CG1 4.46Å; L150-V179 HydrophobicContact CD2-CG1 4.28Å; Y151-V179 WeakPolarHBondContact O-CG2 3.17Å; Y151-V179 PolarHBondContact O-N 3.36Å; V179-Y191 HydrophobicContact CB-CE1 4.35Å; V179-Y191 HydrophobicContact CG1-CE1 4.31Å; V179-L194 HydrophobicContact CG1-CD2 3.8Å; V179-C210 VanDerWaalsContact CG2-SG 3.56Å; V179-I218 HydrophobicContact CG2-CD1 4.03Å
180	G	75.4	Confident	81.9	Confident	13 Å²	13	79 Å²	79	13%	0.134	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-43.7	179.4	0	0	0	0	0	113.6	D152 N178 L182 K214	D152-G180 VanDerWaalsContact CG-CA 3.42Å; D152-G180 VanDerWaalsContact OD1-CA 3.24Å; D152-G180 WeakPolarHBondContact OD1-CA 3.31Å; D152-G180 VanDerWaalsContact OD2-CA 3.31Å; D152-G180 WeakPolarHBondContact OD2-CA 3.35Å; N178-G180 PolarHBondContact OD1-N 2.89Å; G180-L182 PolarHBondContact O-N 2.88Å; G180-K214 PolarHBondContact O-NZ 3.48Å
181	N	72.7	Confident	81.8	Confident	129 Å²	129	74.4 Å²	74.4	69%	0.69	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	7.6	-173	-72.8	-15.1	0	0	0	115.8	K183	N181-K183 PolarHBondContact O-N 2.92Å
182	L	69.2	Low	81.5	Confident	50 Å²	50	71.1 Å²	71.1	26%	0.262	35%	0.354	S	S	.	.			trans	-80.3	115.4	-177.1	-62.2	-177.4	0	0	0	111.3	G180 A190 Y191	G180-L182 PolarHBondContact O-N 2.88Å; L182-A190 HydrophobicContact CD1-CB 4.09Å; L182-A190 HydrophobicContact CD2-CB 3.73Å; L182-A190 HydrophobicContact CG-CB 4.45Å; L182-Y191 HydrophobicContact CD1-CD1 3.94Å; L182-Y191 HydrophobicContact CD1-CE1 3.55Å; L182-Y191 HydrophobicContact CD1-CE2 4.44Å
183	K	65.6	Low	81.3	Confident	165 Å²	165	72.5 Å²	72.5	72%	0.717	37%	0.369	S	S	*	.			trans	-65.4	132.3	172.6	-65.7	-171.3	176.4	-170.1	0	110.8	N181 E185 K186 K187	N181-K183 PolarHBondContact O-N 2.92Å; K183-E185 VanDerWaalsContact C-N 3.27Å; K183-E185 PolarHBondContact O-N 3.16Å; K183-E185 VanDerWaalsContact O-N 3.16Å; K183-K186 PolarHBondContact O-N 2.93Å; K183-K187 PolarHBondContact O-N 3.02Å
184	D	66.4	Low	81.2	Confident	116 Å²	116	67.2 Å²	67.2	62%	0.62	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-57.5	-35	-173.2	-63.3	-78.5	0	0	0	114.1	K186 K187	D184-K186 PolarHBondContact O-N 3.41Å; D184-K186 VanDerWaalsContact O-N 3.08Å; D184-K187 HydrophobicContact CB-CD 4.43Å; D184-K187 VanDerWaalsContact O-CB 3.28Å; D184-K187 WeakPolarHBondContact O-CB 3.41Å; D184-K187 PolarHBondContact O-N 2.95Å; D184-K187 VanDerWaalsContact OD1-CD 3.26Å; D184-K187 WeakPolarHBondContact OD1-CD 3.19Å; D184-K187 IonicContact OD1-NZ 3.68Å; D184-K187 PolarHBondContact OD1-NZ 3.05Å
185	E	68.1	Low	80.9	Confident	187 Å²	187	65.8 Å²	65.8	87%	0.874	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-55.8	-25.6	176.2	-62.9	-178.7	148.1	0	0	114.6	K183	K183-E185 VanDerWaalsContact C-N 3.27Å; K183-E185 PolarHBondContact O-N 3.16Å; K183-E185 VanDerWaalsContact O-N 3.16Å
186	K	75.3	Confident	80.6	Confident	131 Å²	131	70.5 Å²	70.5	57%	0.57	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-123.1	12.4	-178	-66.3	-155.5	167.1	-134.1	0	114.1	K183 D184 D188 E189 A190	K183-K186 PolarHBondContact O-N 2.93Å; D184-K186 PolarHBondContact O-N 3.41Å; D184-K186 VanDerWaalsContact O-N 3.08Å; K186-D188 VanDerWaalsContact C-N 3.34Å; K186-D188 PolarHBondContact O-N 3.41Å; K186-E189 IonicContact NZ-OE2 3.69Å; K186-E189 PolarHBondContact NZ-OE2 3.13Å; K186-E189 PolarHBondContact O-N 2.86Å; K186-A190 WeakPolarHBondContact O-CB 3.44Å; K186-A190 PolarHBondContact O-N 3.07Å
187	K	78.3	Confident	80.4	Confident	35 Å²	35	73.1 Å²	73.1	15%	0.152	37%	0.365	C	S	.	.	H	α-helix	trans	-59.8	-40.5	-173.9	-170.3	167.4	178.9	-176.2	0	113	K183 D184 Y191 D217	K183-K187 PolarHBondContact O-N 3.02Å; D184-K187 HydrophobicContact CB-CD 4.43Å; D184-K187 VanDerWaalsContact O-CB 3.28Å; D184-K187 WeakPolarHBondContact O-CB 3.41Å; D184-K187 PolarHBondContact O-N 2.95Å; D184-K187 VanDerWaalsContact OD1-CD 3.26Å; D184-K187 WeakPolarHBondContact OD1-CD 3.19Å; D184-K187 IonicContact OD1-NZ 3.68Å; D184-K187 PolarHBondContact OD1-NZ 3.05Å; K187-Y191 HydrophobicContact CD-CE2 4.34Å; K187-Y191 HydrophobicContact CG-CD2 3.85Å; K187-Y191 HydrophobicContact CG-CE2 3.42Å; K187-Y191 VanDerWaalsContact CG-CE2 3.42Å; K187-Y191 WeakPolarHBondContact O-CB 3.48Å; K187-Y191 WeakPolarHBondContact O-CD2 3.33Å; K187-Y191 PolarHBondContact O-N 2.75Å; K187-D217 VanDerWaalsContact CE-CG 3.46Å; K187-D217 WeakPolarHBondContact CE-OD2 3.38Å; K187-D217 VanDerWaalsContact NZ-CG 3.33Å; K187-D217 IonicContact NZ-OD1 3.65Å; K187-D217 IonicContact NZ-OD2 2.76Å; K187-D217 PolarHBondContact NZ-OD2 3.43Å
188	D	80.1	Confident	80.2	Confident	60 Å²	60	71.1 Å²	71.1	32%	0.321	36%	0.355	S	S	.	.	H	α-helix	trans	-67.6	-40.6	178.7	-163.6	70.8	0	0	0	112.5	K186 R192 Q221 K224	K186-D188 VanDerWaalsContact C-N 3.34Å; K186-D188 PolarHBondContact O-N 3.41Å; D188-R192 VanDerWaalsContact CG-NH2 3.26Å; D188-R192 WeakPolarHBondContact O-CG 3.48Å; D188-R192 PolarHBondContact O-N 3.25Å; D188-R192 IonicContact OD1-NH2 2.71Å; D188-R192 PolarHBondContact OD1-NH2 3.41Å; D188-R192 IonicContact OD2-CZ 2.84Å; D188-R192 IonicContact OD2-NH1 3.37Å; D188-R192 PolarHBondContact OD2-NH1 2.84Å; D188-R192 IonicContact OD2-NH2 3.81Å; D188-R192 PolarHBondContact OD2-NH2 2.7Å; D188-Q221 PolarHBondContact OD1-NE2 3.23Å; D188-Q221 PolarHBondContact OD1-OE1 3.06Å; D188-K224 IonicContact OD1-NZ 3.18Å
189	E	83	Confident	79.9	Confident	121 Å²	121	71.8 Å²	71.8	57%	0.565	36%	0.356	S	S	*	.	H	α-helix	trans	-68.3	-46.2	173.4	-62.2	-173.9	145.4	0	0	111.6	K186 R192 S193	K186-E189 IonicContact NZ-OE2 3.69Å; K186-E189 PolarHBondContact NZ-OE2 3.13Å; K186-E189 PolarHBondContact O-N 2.86Å; E189-R192 PolarHBondContact O-N 3Å; E189-S193 PolarHBondContact O-N 2.03Å
190	A	83.3	Confident	79.8	Confident	29 Å²	29	75.2 Å²	75.2	24%	0.24	38%	0.38	C	S	.	.	H	α-helix	trans	-64.2	-42.6	-176.7	0	0	0	0	0	112.4	L182 K186 S193 L194	L182-A190 HydrophobicContact CD1-CB 4.09Å; L182-A190 HydrophobicContact CD2-CB 3.73Å; L182-A190 HydrophobicContact CG-CB 4.45Å; K186-A190 WeakPolarHBondContact O-CB 3.44Å; K186-A190 PolarHBondContact O-N 3.07Å; A190-S193 PolarHBondContact O-N 3.02Å; A190-L194 WeakPolarHBondContact O-CB 3.38Å; A190-L194 PolarHBondContact O-N 3.16Å
191	Y	85.4	Confident	80	Confident	1 Å²	1	79.4 Å²	79.4	0%	0.004	40%	0.395	C	S	.	.	H	α-helix	trans	-65.8	-35.6	173.9	-73	-50.2	0	0	0	112.3	V179 L182 K187 L194 F195 I218 Q221	V179-Y191 HydrophobicContact CB-CE1 4.35Å; V179-Y191 HydrophobicContact CG1-CE1 4.31Å; L182-Y191 HydrophobicContact CD1-CD1 3.94Å; L182-Y191 HydrophobicContact CD1-CE1 3.55Å; L182-Y191 HydrophobicContact CD1-CE2 4.44Å; K187-Y191 HydrophobicContact CD-CE2 4.34Å; K187-Y191 HydrophobicContact CG-CD2 3.85Å; K187-Y191 HydrophobicContact CG-CE2 3.42Å; K187-Y191 VanDerWaalsContact CG-CE2 3.42Å; K187-Y191 WeakPolarHBondContact O-CB 3.48Å; K187-Y191 WeakPolarHBondContact O-CD2 3.33Å; K187-Y191 PolarHBondContact O-N 2.75Å; Y191-L194 HydrophobicContact CD1-CD2 4.04Å; Y191-L194 PolarHBondContact O-N 3.41Å; Y191-F195 WeakPolarHBondContact O-CD2 3.43Å; Y191-F195 PolarHBondContact O-N 3.17Å; Y191-I218 HydrophobicContact CD1-CG1 4.46Å; Y191-I218 HydrophobicContact CE1-CD1 4.34Å; Y191-I218 HydrophobicContact CE1-CG1 3.66Å; Y191-I218 HydrophobicContact CE2-CG1 4.5Å; Y191-Q221 HydrophobicContact CD2-CG 3.82Å; Y191-Q221 HydrophobicContact CG-CG 4.2Å
192	R	84.4	Confident	80.4	Confident	99 Å²	99	76 Å²	76	37%	0.374	37%	0.374	S	S	.	.	H	α-helix	trans	-63.7	-44.4	172.8	-75.9	-172	-169.2	105.1	27.2	112.4	D188 E189 F195 Q196 I225	D188-R192 VanDerWaalsContact CG-NH2 3.26Å; D188-R192 WeakPolarHBondContact O-CG 3.48Å; D188-R192 PolarHBondContact O-N 3.25Å; D188-R192 IonicContact OD1-NH2 2.71Å; D188-R192 PolarHBondContact OD1-NH2 3.41Å; D188-R192 IonicContact OD2-CZ 2.84Å; D188-R192 IonicContact OD2-NH1 3.37Å; D188-R192 PolarHBondContact OD2-NH1 2.84Å; D188-R192 IonicContact OD2-NH2 3.81Å; D188-R192 PolarHBondContact OD2-NH2 2.7Å; E189-R192 PolarHBondContact O-N 3Å; R192-F195 PolarHBondContact O-N 2.87Å; R192-Q196 WeakPolarHBondContact O-CB 3.45Å; R192-Q196 VanDerWaalsContact O-CG 3.24Å; R192-Q196 WeakPolarHBondContact O-CG 3.31Å; R192-Q196 PolarHBondContact O-N 3.32Å; R192-I225 HydrophobicContact CG-CD1 3.97Å; R192-I225 HydrophobicContact CG-CG1 4.27Å
193	S	87	Confident	81.1	Confident	62 Å²	62	74 Å²	74	43%	0.434	36%	0.363	S	S	.	.	H	α-helix	trans	-60	-47.5	175.2	-164.9	0	0	0	0	111.1	E189 A190 F195 Q196 D197	E189-S193 PolarHBondContact O-N 2.03Å; A190-S193 PolarHBondContact O-N 3.02Å; S193-F195 PolarHBondContact O-N 3.41Å; S193-Q196 WeakPolarHBondContact O-CB 3.42Å; S193-Q196 PolarHBondContact O-N 2.88Å; S193-Q196 VanDerWaalsContact O-N 3.13Å; S193-D197 PolarHBondContact O-N 2.88Å
194	L	88.4	Confident	82.1	Confident	18 Å²	18	67.4 Å²	67.4	9%	0.094	33%	0.334	C	S	.	.	H	α-helix	trans	-54.8	-48.8	177.5	177.8	65.6	0	0	0	112.4	L150 I177 V179 A190 Y191 Q196 D197 L198	L150-L194 HydrophobicContact CD1-CD2 4.14Å; L150-L194 HydrophobicContact CD2-CD1 4.28Å; L150-L194 HydrophobicContact CD2-CD2 4.17Å; I177-L194 HydrophobicContact CB-CD1 4.27Å; I177-L194 HydrophobicContact CD1-CD1 3.47Å; I177-L194 VanDerWaalsContact CD1-CD1 3.47Å; I177-L194 HydrophobicContact CG1-CD1 4.44Å; I177-L194 HydrophobicContact CG2-CD1 3.75Å; V179-L194 HydrophobicContact CG1-CD2 3.8Å; A190-L194 WeakPolarHBondContact O-CB 3.38Å; A190-L194 PolarHBondContact O-N 3.16Å; Y191-L194 HydrophobicContact CD1-CD2 4.04Å; Y191-L194 PolarHBondContact O-N 3.41Å; L194-Q196 VanDerWaalsContact C-N 3.33Å; L194-Q196 PolarHBondContact O-N 2.94Å; L194-D197 PolarHBondContact O-N 3.11Å; L194-L198 HydrophobicContact CG-CD1 4.3Å; L194-L198 VanDerWaalsContact O-CG 3.29Å; L194-L198 WeakPolarHBondContact O-CG 3.14Å; L194-L198 PolarHBondContact O-N 3.14Å
195	F	86.4	Confident	83.4	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-75.7	-19.2	-179.6	-75	-62	0	0	0	113.6	L150 Y191 R192 S193 L198 E199 I218 V222 I225 Q227	L150-F195 HydrophobicContact CD1-CE1 4.48Å; L150-F195 HydrophobicContact CD1-CZ 4.25Å; Y191-F195 WeakPolarHBondContact O-CD2 3.43Å; Y191-F195 PolarHBondContact O-N 3.17Å; R192-F195 PolarHBondContact O-N 2.87Å; S193-F195 PolarHBondContact O-N 3.41Å; F195-L198 HydrophobicContact CD1-CD1 3.75Å; F195-L198 HydrophobicContact CE1-CD1 3.96Å; F195-E199 WeakPolarHBondContact O-CB 3.46Å; F195-E199 PolarHBondContact O-N 3.05Å; F195-I218 HydrophobicContact CE2-CG2 4.36Å; F195-I218 HydrophobicContact CZ-CG2 3.97Å; F195-V222 HydrophobicContact CE1-CG2 3.92Å; F195-V222 HydrophobicContact CE2-CG2 3.89Å; F195-V222 HydrophobicContact CZ-CG2 3.44Å; F195-V222 VanDerWaalsContact CZ-CG2 3.44Å; F195-I225 HydrophobicContact CB-CD1 3.94Å; F195-I225 HydrophobicContact CD2-CD1 3.77Å; F195-I225 HydrophobicContact CG-CD1 4.21Å; F195-Q227 PolarHBondContact O-NE2 3.42Å
196	Q	85.5	Confident	84.7	Confident	129 Å²	129	56.7 Å²	56.7	60%	0.603	28%	0.277	S	S	*	.	H	α-helix	trans	-73.8	-42.4	166.8	-74.4	171.3	7.7	0	0	111.7	R192 S193 L194 L198 E199 S200	R192-Q196 WeakPolarHBondContact O-CB 3.45Å; R192-Q196 VanDerWaalsContact O-CG 3.24Å; R192-Q196 WeakPolarHBondContact O-CG 3.31Å; R192-Q196 PolarHBondContact O-N 3.32Å; S193-Q196 WeakPolarHBondContact O-CB 3.42Å; S193-Q196 PolarHBondContact O-N 2.88Å; S193-Q196 VanDerWaalsContact O-N 3.13Å; L194-Q196 VanDerWaalsContact C-N 3.33Å; L194-Q196 PolarHBondContact O-N 2.94Å; Q196-L198 VanDerWaalsContact C-N 3.31Å; Q196-L198 PolarHBondContact O-N 3.34Å; Q196-E199 PolarHBondContact O-N 3.17Å; Q196-S200 PolarHBondContact O-N 3.12Å
197	D	86.2	Confident	85.7	Confident	93 Å²	93	50.4 Å²	50.4	50%	0.497	25%	0.25	S	C	.	.	H	α-helix	trans	-61.9	-40.4	174.4	-70.4	-36.1	0	0	0	111.3	S193 L194 S200 K201	S193-D197 PolarHBondContact O-N 2.88Å; L194-D197 PolarHBondContact O-N 3.11Å; D197-S200 WeakPolarHBondContact O-CB 3.45Å; D197-S200 PolarHBondContact O-N 2.92Å; D197-S200 PolarHBondContact O-OG 3.18Å; D197-K201 PolarHBondContact O-N 3.21Å
198	L	87.4	Confident	86.5	Confident	5 Å²	5	48.8 Å²	48.8	3%	0.026	24%	0.243	C	C	.	.	H	α-helix	trans	-66.4	-39	173.7	-68.3	170.8	0	0	0	112.6	A148 I177 L194 F195 Q196 K201 K202 E203	A148-L198 HydrophobicContact CB-CD2 3.62Å; I177-L198 HydrophobicContact CD1-CD2 4.13Å; L194-L198 HydrophobicContact CG-CD1 4.3Å; L194-L198 VanDerWaalsContact O-CG 3.29Å; L194-L198 WeakPolarHBondContact O-CG 3.14Å; L194-L198 PolarHBondContact O-N 3.14Å; F195-L198 HydrophobicContact CD1-CD1 3.75Å; F195-L198 HydrophobicContact CE1-CD1 3.96Å; Q196-L198 VanDerWaalsContact C-N 3.31Å; Q196-L198 PolarHBondContact O-N 3.34Å; L198-K201 PolarHBondContact O-N 3.31Å; L198-K202 PolarHBondContact O-N 3.08Å; L198-K202 VanDerWaalsContact O-N 3.14Å; L198-E203 HydrophobicContact CB-CB 4.34Å; L198-E203 HydrophobicContact CB-CG 4.39Å; L198-E203 HydrophobicContact CD2-CB 4.22Å; L198-E203 HydrophobicContact CD2-CG 3.73Å; L198-E203 PolarHBondContact O-N 3.44Å
199	E	84	Confident	87.1	Confident	63 Å²	63	46 Å²	46	29%	0.294	23%	0.228	S	C	.	.	H	α-helix	trans	-70.6	-30.5	175.1	-172.2	57.4	-155.9	0	0	112.5	F195 Q196 K201 K202 R204 Y232	F195-E199 WeakPolarHBondContact O-CB 3.46Å; F195-E199 PolarHBondContact O-N 3.05Å; Q196-E199 PolarHBondContact O-N 3.17Å; E199-K201 PolarHBondContact O-N 2.66Å; E199-K202 WeakPolarHBondContact O-CA 3.31Å; E199-K202 WeakPolarHBondContact O-CG 3.46Å; E199-K202 PolarHBondContact O-N 3.29Å; E199-R204 VanDerWaalsContact CD-NH2 3.32Å; E199-R204 IonicContact OE1-CZ 2.65Å; E199-R204 IonicContact OE1-NH1 2.92Å; E199-R204 IonicContact OE1-NH2 3.66Å; E199-R204 PolarHBondContact OE1-NH2 3.43Å; E199-R204 IonicContact OE2-CZ 2.8Å; E199-R204 VanDerWaalsContact OE2-CZ 3.28Å; E199-R204 IonicContact OE2-NH1 3.43Å; E199-R204 PolarHBondContact OE2-NH1 3.08Å; E199-R204 IonicContact OE2-NH2 3.89Å; E199-R204 PolarHBondContact OE2-NH2 3.42Å; E199-Y232 PolarHBondContact OE2-OH 3.22Å
200	S	83.2	Confident	87.3	Confident	74 Å²	74	40.3 Å²	40.3	52%	0.517	20%	0.201	S	C	.	.	H	α-helix	trans	-59.3	-35.7	173.6	84.1	0	0	0	0	112	Q196 D197 K202 I476	Q196-S200 PolarHBondContact O-N 3.12Å; D197-S200 WeakPolarHBondContact O-CB 3.45Å; D197-S200 PolarHBondContact O-N 2.92Å; D197-S200 PolarHBondContact O-OG 3.18Å; S200-K202 VanDerWaalsContact C-N 3.34Å; S200-I476 VanDerWaalsContact O-CD1 3.29Å; S200-I476 WeakPolarHBondContact O-CD1 3.48Å
201	K	80.9	Confident	87.4	Confident	100 Å²	100	43.4 Å²	43.4	44%	0.435	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-2.3	173.5	-62.6	175.4	178.7	176	0	113.4	K146 D197 L198 E199 E203	K146-K201 PolarHBondContact NZ-O 2.97Å; D197-K201 PolarHBondContact O-N 3.21Å; L198-K201 PolarHBondContact O-N 3.31Å; E199-K201 PolarHBondContact O-N 2.66Å; K201-E203 VanDerWaalsContact C-N 3.3Å; K201-E203 HydrophobicContact CB-CG 4.1Å; K201-E203 WeakPolarHBondContact CB-OE1 3.25Å; K201-E203 PolarHBondContact O-N 3.11Å
202	K	79.9	Confident	87.3	Confident	58 Å²	58	45.1 Å²	45.1	25%	0.252	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.6	49.6	-168.4	-64.2	-177.8	-179.6	175.9	0	112.8	L198 E199 S200 I476 W477 Y486	L198-K202 PolarHBondContact O-N 3.08Å; L198-K202 VanDerWaalsContact O-N 3.14Å; E199-K202 WeakPolarHBondContact O-CA 3.31Å; E199-K202 WeakPolarHBondContact O-CG 3.46Å; E199-K202 PolarHBondContact O-N 3.29Å; S200-K202 VanDerWaalsContact C-N 3.34Å; K202-I476 HydrophobicContact CD-CG2 3.87Å; K202-W477 PolarHBondContact NZ-O 3.21Å; K202-Y486 HydrophobicContact CB-CD1 3.87Å; K202-Y486 HydrophobicContact CB-CE1 3.69Å; K202-Y486 HydrophobicContact CB-CG 4.44Å; K202-Y486 HydrophobicContact CD-CD1 4.25Å; K202-Y486 HydrophobicContact CD-CD2 3.72Å; K202-Y486 HydrophobicContact CD-CE1 3.98Å; K202-Y486 HydrophobicContact CD-CE2 3.45Å; K202-Y486 VanDerWaalsContact CD-CE2 3.45Å; K202-Y486 HydrophobicContact CD-CG 4.15Å
203	E	84.8	Confident	87.2	Confident	8 Å²	8	44.9 Å²	44.9	4%	0.037	23%	0.225	C	C	.	.			trans	-65.1	136.5	171.4	-57.4	-52.1	157.4	0	0	110.6	K146 A148 L198 K201 Y232	K146-E203 WeakPolarHBondContact CE-OE1 3.4Å; K146-E203 IonicContact NZ-OE1 2.92Å; K146-E203 PolarHBondContact NZ-OE1 2.93Å; K146-E203 IonicContact NZ-OE2 2.66Å; K146-E203 PolarHBondContact NZ-OE2 3.2Å; A148-E203 HydrophobicContact CB-CG 4.44Å; L198-E203 HydrophobicContact CB-CB 4.34Å; L198-E203 HydrophobicContact CB-CG 4.39Å; L198-E203 HydrophobicContact CD2-CB 4.22Å; L198-E203 HydrophobicContact CD2-CG 3.73Å; L198-E203 PolarHBondContact O-N 3.44Å; K201-E203 VanDerWaalsContact C-N 3.3Å; K201-E203 HydrophobicContact CB-CG 4.1Å; K201-E203 WeakPolarHBondContact CB-OE1 3.25Å; K201-E203 PolarHBondContact O-N 3.11Å; E203-Y232 WeakPolarHBondContact O-CE1 3.27Å
204	R	87.2	Confident	87.2	Confident	27 Å²	27	44.1 Å²	44.1	10%	0.102	21%	0.214	C	C	.	.			trans	-126.6	-3.5	-179.5	-67.3	-63.2	174.9	-94.2	12.8	113.5	E199 G231 Y232 H233	E199-R204 VanDerWaalsContact CD-NH2 3.32Å; E199-R204 IonicContact OE1-CZ 2.65Å; E199-R204 IonicContact OE1-NH1 2.92Å; E199-R204 IonicContact OE1-NH2 3.66Å; E199-R204 PolarHBondContact OE1-NH2 3.43Å; E199-R204 IonicContact OE2-CZ 2.8Å; E199-R204 VanDerWaalsContact OE2-CZ 3.28Å; E199-R204 IonicContact OE2-NH1 3.43Å; E199-R204 PolarHBondContact OE2-NH1 3.08Å; E199-R204 IonicContact OE2-NH2 3.89Å; E199-R204 PolarHBondContact OE2-NH2 3.42Å; R204-G231 WeakPolarHBondContact CB-O 3.3Å; R204-Y232 PolarHBondContact NH1-OH 2.93Å; R204-Y232 PolarHBondContact NH2-OH 2.93Å; R204-Y232 CarbonylContact O-C 3.57Å; R204-Y232 WeakPolarHBondContact O-CA 3.21Å; R204-H233 PolarHBondContact O-N 3.33Å
205	R	93.6	Very high	87.2	Confident	74 Å²	74	43.7 Å²	43.7	28%	0.279	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	121.2	-176.7	-70.3	164.8	179.2	161.7	-4.9	108.1	W144 D145 K146 F147 A148 H233	W144-R205 HydrophobicContact CD2-CB 4.11Å; W144-R205 HydrophobicContact CD2-CG 3.99Å; W144-R205 HydrophobicContact CE3-CB 3.92Å; W144-R205 HydrophobicContact CE3-CG 4.33Å; W144-R205 HydrophobicContact CH2-CB 3.7Å; W144-R205 HydrophobicContact CH2-CG 4.08Å; W144-R205 HydrophobicContact CZ2-CB 3.92Å; W144-R205 HydrophobicContact CZ2-CG 3.74Å; W144-R205 HydrophobicContact CZ3-CB 3.71Å; W144-R205 HydrophobicContact CZ3-CG 4.36Å; D145-R205 IonicContact OD1-CZ 2.78Å; D145-R205 IonicContact OD1-NH1 2.64Å; D145-R205 PolarHBondContact OD1-NH1 3.26Å; D145-R205 IonicContact OD1-NH2 2.64Å; K146-R205 VanDerWaalsContact O-CD 3.23Å; K146-R205 WeakPolarHBondContact O-CD 3.35Å; K146-R205 PolarHBondContact O-NH1 3.4Å; K146-R205 VanDerWaalsContact O-NH1 3.13Å; F147-R205 HydrophobicContact CB-CB 3.79Å; A148-R205 PolarHBondContact N-O 3.28Å; R205-H233 WeakPolarHBondContact CA-O 3.49Å
206	V	95.1	Very high	87.3	Confident	3 Å²	3	49.1 Å²	49.1	2%	0.018	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	128.2	-174.3	-172	0	0	0	0	109.7	A148 L150 L208 H233 Y234 I235	A148-V206 HydrophobicContact CB-CG1 4.5Å; A148-V206 HydrophobicContact CB-CG2 4.43Å; A148-V206 WeakPolarHBondContact O-CA 3.33Å; L150-V206 HydrophobicContact CD1-CG1 3.99Å; L150-V206 HydrophobicContact CG-CG1 3.96Å; V206-L208 HydrophobicContact CG1-CD2 3.87Å; V206-H233 PolarHBondContact N-O 2.66Å; V206-Y234 HydrophobicContact CB-CD1 3.78Å; V206-Y234 HydrophobicContact CB-CE1 3.83Å; V206-Y234 HydrophobicContact CG1-CD1 4.36Å; V206-Y234 HydrophobicContact CG1-CE1 4.35Å; V206-Y234 HydrophobicContact CG2-CD1 4.38Å; V206-Y234 HydrophobicContact CG2-CE1 3.94Å; V206-Y234 CarbonylContact O-C 3.47Å; V206-Y234 WeakPolarHBondContact O-CA 3.48Å; V206-I235 PolarHBondContact O-N 3.49Å
207	I	95.9	Very high	87.3	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	134.7	171.2	-51.2	-171.5	0	0	0	108.4	L135 I139 W144 F147 A148 Y149 L150 I235 A237	L135-I207 HydrophobicContact CD1-CD1 4.5Å; L135-I207 HydrophobicContact CD1-CG2 4.15Å; I139-I207 HydrophobicContact CD1-CD1 3.63Å; I139-I207 HydrophobicContact CG1-CD1 3.97Å; W144-I207 HydrophobicContact CE3-CD1 4.48Å; W144-I207 HydrophobicContact CZ3-CD1 4.13Å; W144-I207 HydrophobicContact CZ3-CG1 3.75Å; F147-I207 HydrophobicContact CD2-CD1 3.73Å; F147-I207 HydrophobicContact CD2-CG1 4.07Å; F147-I207 HydrophobicContact CE2-CD1 3.66Å; F147-I207 HydrophobicContact CE2-CG1 4.46Å; F147-I207 HydrophobicContact CZ-CD1 4.39Å; A148-I207 PolarHBondContact O-N 3.21Å; Y149-I207 HydrophobicContact CD2-CB 3.77Å; Y149-I207 HydrophobicContact CD2-CD1 4.16Å; Y149-I207 HydrophobicContact CD2-CG1 4.41Å; Y149-I207 HydrophobicContact CD2-CG2 3.88Å; Y149-I207 HydrophobicContact CE2-CB 4.28Å; Y149-I207 HydrophobicContact CE2-CG2 3.85Å; L150-I207 PolarHBondContact N-O 2.86Å; I207-I235 CarbonylContact C-O 3.57Å; I207-I235 WeakPolarHBondContact CA-O 3.44Å; I207-I235 HydrophobicContact CG1-CB 4.34Å; I207-I235 HydrophobicContact CG2-CG2 4.5Å; I207-A237 HydrophobicContact CG2-CB 4.39Å
208	L	93.8	Very high	87.5	Confident	0 Å²	0	41 Å²	41	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	100.2	179.5	-55.9	-178.5	0	0	0	109.7	L150 V206 V215 I218 M219 I235 A237	L150-L208 HydrophobicContact CB-CD2 3.99Å; L150-L208 HydrophobicContact CD1-CD2 3.8Å; L150-L208 HydrophobicContact CG-CD2 4.21Å; V206-L208 HydrophobicContact CG1-CD2 3.87Å; L208-V215 HydrophobicContact CD1-CG1 4.43Å; L208-I218 HydrophobicContact CD1-CG2 4.37Å; L208-I218 HydrophobicContact CD2-CG2 4.07Å; L208-M219 HydrophobicContact CD1-CG 4.27Å; L208-M219 HydrophobicContact CD1-SD 3.66Å; L208-I235 PolarHBondContact N-O 3.4Å; L208-A237 PolarHBondContact O-N 2.88Å
209	D	93	Very high	87.5	Confident	3 Å²	3	41.5 Å²	41.5	2%	0.016	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	76.2	175	-167.6	6.7	0	0	0	110.4	Y149 L150 Y151 D152 R155 T159 A237	Y149-D209 HydrophobicContact CE1-CB 4.17Å; Y149-D209 PolarHBondContact OH-OD2 3.26Å; L150-D209 PolarHBondContact O-N 3.47Å; Y151-D209 WeakPolarHBondContact CA-O 3.49Å; D152-D209 PolarHBondContact N-O 3.24Å; R155-D209 IonicContact CZ-OD1 2.72Å; R155-D209 IonicContact NE-OD1 3.46Å; R155-D209 PolarHBondContact NE-OD1 2.95Å; R155-D209 IonicContact NH1-OD1 3.94Å; R155-D209 PolarHBondContact NH1-OD1 2.87Å; R155-D209 IonicContact NH2-OD1 2.69Å; R155-D209 PolarHBondContact NH2-OD1 3.03Å; T159-D209 WeakPolarHBondContact CB-OD2 3.42Å; T159-D209 PolarHBondContact OG1-OD2 2.88Å; D209-A237 HydrophobicContact CB-CB 3.97Å
210	C	88.8	Confident	87.7	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.007	20%	0.199	C	C	.	.	S	Bend	trans	-134.7	176.6	-174.7	-58.8	0	0	0	0	110.3	D152 R155 V179 K214 V215	D152-C210 HydrophobicContact CB-CB 4.45Å; R155-C210 PolarHBondContact NH1-O 3.43Å; V179-C210 VanDerWaalsContact CG2-SG 3.56Å; C210-K214 HydrophobicContact CB-CB 3.82Å; C210-V215 HydrophobicContact CB-CG2 4.01Å
211	E	83.7	Confident	87.9	Confident	94 Å²	94	38.8 Å²	38.8	44%	0.439	18%	0.178	S	C	.	.			trans	-80.8	164.7	168.2	-60.5	-147.9	131.9	0	0	112.1	R155 D213 K214 V215	R155-E211 HydrophobicContact CG-CG 3.88Å; E211-D213 VanDerWaalsContact C-N 3.33Å; E211-D213 PolarHBondContact O-N 2.87Å; E211-K214 WeakPolarHBondContact O-CB 3.43Å; E211-K214 PolarHBondContact O-N 3.32Å; E211-K214 VanDerWaalsContact O-N 3.13Å; E211-V215 WeakPolarHBondContact O-CG2 3.45Å; E211-V215 PolarHBondContact O-N 3.36Å
212	Q	83.8	Confident	88.3	Confident	36 Å²	36	34 Å²	34	17%	0.168	16%	0.157	C	C	.	.	H	α-helix	trans	-59.6	-41.3	-167.4	-163.1	66.5	2.4	0	0	113.2	V215 K216 N238 D243 G244	Q212-V215 PolarHBondContact O-N 2.89Å; Q212-K216 PolarHBondContact O-N 2.8Å; Q212-N238 PolarHBondContact OE1-ND2 2.84Å; Q212-D243 PolarHBondContact NE2-O 2.89Å; Q212-G244 VanDerWaalsContact NE2-CA 3.28Å; Q212-G244 VanDerWaalsContact NE2-N 3.18Å
213	D	83.4	Confident	88.7	Confident	94 Å²	94	33.4 Å²	33.4	50%	0.503	16%	0.156	S	C	.	.	H	α-helix	trans	-70	-36.6	179.9	-56.6	-58.8	0	0	0	111.7	E211 K216 D217	E211-D213 VanDerWaalsContact C-N 3.33Å; E211-D213 PolarHBondContact O-N 2.87Å; D213-K216 WeakPolarHBondContact O-CB 3.25Å; D213-K216 PolarHBondContact O-N 2.93Å; D213-D217 PolarHBondContact O-N 3.49Å
214	K	86.1	Confident	88.8	Confident	47 Å²	47	39 Å²	39	20%	0.204	18%	0.18	C	C	.	.	H	α-helix	trans	-66.2	-38.4	172	-63.8	-86.1	-169.1	154.6	0	111.8	D152 G180 C210 E211 D217 I218	D152-K214 WeakPolarHBondContact OD2-CD 3.4Å; D152-K214 WeakPolarHBondContact OD2-CE 3.42Å; D152-K214 IonicContact OD2-NZ 2.94Å; D152-K214 PolarHBondContact OD2-NZ 2.94Å; G180-K214 PolarHBondContact O-NZ 3.48Å; C210-K214 HydrophobicContact CB-CB 3.82Å; E211-K214 WeakPolarHBondContact O-CB 3.43Å; E211-K214 PolarHBondContact O-N 3.32Å; E211-K214 VanDerWaalsContact O-N 3.13Å; K214-D217 PolarHBondContact O-N 3.14Å; K214-I218 WeakPolarHBondContact O-CB 3.45Å; K214-I218 WeakPolarHBondContact O-CD1 3.26Å; K214-I218 VanDerWaalsContact O-CG1 3.23Å; K214-I218 WeakPolarHBondContact O-CG1 3.5Å; K214-I218 PolarHBondContact O-N 3.36Å
215	V	88.5	Confident	88.8	Confident	8 Å²	8	40.4 Å²	40.4	5%	0.048	19%	0.189	C	C	.	.	H	α-helix	trans	-62.6	-44.2	173.4	172.7	0	0	0	0	110	L208 C210 E211 Q212 I218 M219 I236	L208-V215 HydrophobicContact CD1-CG1 4.43Å; C210-V215 HydrophobicContact CB-CG2 4.01Å; E211-V215 WeakPolarHBondContact O-CG2 3.45Å; E211-V215 PolarHBondContact O-N 3.36Å; Q212-V215 PolarHBondContact O-N 2.89Å; V215-I218 PolarHBondContact O-N 3.3Å; V215-M219 HydrophobicContact CG1-CG 4.19Å; V215-M219 WeakPolarHBondContact O-CB 3.43Å; V215-M219 VanDerWaalsContact O-CG 3.24Å; V215-M219 WeakPolarHBondContact O-CG 3.45Å; V215-M219 PolarHBondContact O-N 3.22Å; V215-I236 HydrophobicContact CG1-CD1 4.18Å; V215-I236 HydrophobicContact CG1-CG2 4.07Å; V215-I236 HydrophobicContact CG2-CG2 4.15Å
216	K	87.7	Confident	88.4	Confident	114 Å²	114	38.2 Å²	38.2	50%	0.496	19%	0.19	S	C	.	.	H	α-helix	trans	-58.8	-49.6	174.8	-176.1	-173.2	175.3	-172.8	0	111.9	Q212 D213 I218 M219 E220	Q212-K216 PolarHBondContact O-N 2.8Å; D213-K216 WeakPolarHBondContact O-CB 3.25Å; D213-K216 PolarHBondContact O-N 2.93Å; K216-I218 VanDerWaalsContact C-N 3.34Å; K216-I218 PolarHBondContact O-N 3.38Å; K216-M219 PolarHBondContact O-N 2.7Å; K216-E220 PolarHBondContact O-N 2.79Å
217	D	87	Confident	88	Confident	53 Å²	53	38.7 Å²	38.7	28%	0.283	19%	0.192	S	C	.	.	H	α-helix	trans	-52.7	-49.5	175.7	-78.7	-41.4	0	0	0	111.9	K187 D213 K214 Q221	K187-D217 VanDerWaalsContact CE-CG 3.46Å; K187-D217 WeakPolarHBondContact CE-OD2 3.38Å; K187-D217 VanDerWaalsContact NZ-CG 3.33Å; K187-D217 IonicContact NZ-OD1 3.65Å; K187-D217 IonicContact NZ-OD2 2.76Å; K187-D217 PolarHBondContact NZ-OD2 3.43Å; D213-D217 PolarHBondContact O-N 3.49Å; K214-D217 PolarHBondContact O-N 3.14Å; D217-Q221 WeakPolarHBondContact O-CG 3.29Å; D217-Q221 PolarHBondContact O-N 3.04Å
218	I	89.1	Confident	87.6	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-65.8	-44.9	-178	-69.1	164.9	0	0	0	110.9	V179 Y191 F195 L208 K214 V215 K216 E220 Q221 V222	V179-I218 HydrophobicContact CG2-CD1 4.03Å; Y191-I218 HydrophobicContact CD1-CG1 4.46Å; Y191-I218 HydrophobicContact CE1-CD1 4.34Å; Y191-I218 HydrophobicContact CE1-CG1 3.66Å; Y191-I218 HydrophobicContact CE2-CG1 4.5Å; F195-I218 HydrophobicContact CE2-CG2 4.36Å; F195-I218 HydrophobicContact CZ-CG2 3.97Å; L208-I218 HydrophobicContact CD1-CG2 4.37Å; L208-I218 HydrophobicContact CD2-CG2 4.07Å; K214-I218 WeakPolarHBondContact O-CB 3.45Å; K214-I218 WeakPolarHBondContact O-CD1 3.26Å; K214-I218 VanDerWaalsContact O-CG1 3.23Å; K214-I218 WeakPolarHBondContact O-CG1 3.5Å; K214-I218 PolarHBondContact O-N 3.36Å; V215-I218 PolarHBondContact O-N 3.3Å; K216-I218 VanDerWaalsContact C-N 3.34Å; K216-I218 PolarHBondContact O-N 3.38Å; I218-E220 PolarHBondContact O-N 3.02Å; I218-Q221 WeakPolarHBondContact O-CB 3.26Å; I218-Q221 PolarHBondContact O-N 3.48Å; I218-Q221 VanDerWaalsContact O-N 3.11Å; I218-V222 HydrophobicContact CG2-CG2 4.44Å; I218-V222 WeakPolarHBondContact O-CG2 3.47Å; I218-V222 PolarHBondContact O-N 3.18Å
219	M	87.9	Confident	87.2	Confident	15 Å²	15	45.1 Å²	45.1	7%	0.074	22%	0.224	C	C	.	.	H	α-helix	trans	-69.1	-34.6	-177.7	-65	-58.8	-84.4	0	0	112	L208 V215 K216 Q221 V222 I223 Y234 I249	L208-M219 HydrophobicContact CD1-CG 4.27Å; L208-M219 HydrophobicContact CD1-SD 3.66Å; V215-M219 HydrophobicContact CG1-CG 4.19Å; V215-M219 WeakPolarHBondContact O-CB 3.43Å; V215-M219 VanDerWaalsContact O-CG 3.24Å; V215-M219 WeakPolarHBondContact O-CG 3.45Å; V215-M219 PolarHBondContact O-N 3.22Å; K216-M219 PolarHBondContact O-N 2.7Å; M219-Q221 VanDerWaalsContact C-N 3.25Å; M219-Q221 PolarHBondContact O-N 3.43Å; M219-V222 PolarHBondContact O-N 3.34Å; M219-V222 HydrophobicContact SD-CG2 4.48Å; M219-I223 WeakPolarHBondContact O-CD1 3.31Å; M219-I223 VanDerWaalsContact O-CG1 3.29Å; M219-I223 WeakPolarHBondContact O-CG1 3.19Å; M219-I223 PolarHBondContact O-N 2.86Å; M219-Y234 HydrophobicContact CE-CG 4.35Å; M219-Y234 HydrophobicContact SD-CD1 4.39Å; M219-I249 HydrophobicContact CE-CD1 3.43Å; M219-I249 VanDerWaalsContact CE-CD1 3.43Å; M219-I249 HydrophobicContact CE-CG2 4.26Å
220	E	88.5	Confident	86.7	Confident	65 Å²	65	48.5 Å²	48.5	30%	0.304	24%	0.239	S	C	.	.	H	α-helix	trans	-63.7	-29.4	170.9	-71.8	-169.2	-179.9	0	0	112.7	K216 I218 K224 K248	K216-E220 PolarHBondContact O-N 2.79Å; I218-E220 PolarHBondContact O-N 3.02Å; E220-K224 VanDerWaalsContact O-CG 3.28Å; E220-K224 WeakPolarHBondContact O-CG 3.23Å; E220-K224 PolarHBondContact O-N 3.5Å; E220-K224 VanDerWaalsContact O-N 3.17Å; E220-K248 IonicContact OE1-NZ 3.47Å; E220-K248 PolarHBondContact OE1-NZ 3.42Å
221	Q	86.9	Confident	86.4	Confident	14 Å²	14	49.7 Å²	49.7	7%	0.065	25%	0.25	C	S	.	.	H	α-helix	trans	-76.3	-40.4	171.2	-63.7	-64.5	-12.7	0	0	113	D188 Y191 D217 I218 M219 I223 K224 I225	D188-Q221 PolarHBondContact OD1-NE2 3.23Å; D188-Q221 PolarHBondContact OD1-OE1 3.06Å; Y191-Q221 HydrophobicContact CD2-CG 3.82Å; Y191-Q221 HydrophobicContact CG-CG 4.2Å; D217-Q221 WeakPolarHBondContact O-CG 3.29Å; D217-Q221 PolarHBondContact O-N 3.04Å; I218-Q221 WeakPolarHBondContact O-CB 3.26Å; I218-Q221 PolarHBondContact O-N 3.48Å; I218-Q221 VanDerWaalsContact O-N 3.11Å; M219-Q221 VanDerWaalsContact C-N 3.25Å; M219-Q221 PolarHBondContact O-N 3.43Å; Q221-I223 PolarHBondContact O-N 3.48Å; Q221-K224 PolarHBondContact O-N 3.15Å; Q221-K224 VanDerWaalsContact OE1-CD 3.32Å; Q221-I225 HydrophobicContact CB-CD1 4.48Å; Q221-I225 WeakPolarHBondContact O-CB 3.33Å; Q221-I225 VanDerWaalsContact O-CG1 3.24Å; Q221-I225 WeakPolarHBondContact O-CG1 3.25Å; Q221-I225 PolarHBondContact O-N 3.42Å
222	V	89.4	Confident	86.8	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-57	-36.6	172.1	168.4	0	0	0	0	111.3	F195 I218 M219 G226 Q227 H228 Y234	F195-V222 HydrophobicContact CE1-CG2 3.92Å; F195-V222 HydrophobicContact CE2-CG2 3.89Å; F195-V222 HydrophobicContact CZ-CG2 3.44Å; F195-V222 VanDerWaalsContact CZ-CG2 3.44Å; I218-V222 HydrophobicContact CG2-CG2 4.44Å; I218-V222 WeakPolarHBondContact O-CG2 3.47Å; I218-V222 PolarHBondContact O-N 3.18Å; M219-V222 PolarHBondContact O-N 3.34Å; M219-V222 HydrophobicContact SD-CG2 4.48Å; V222-G226 PolarHBondContact O-N 3.12Å; V222-Q227 HydrophobicContact CG1-CB 4.16Å; V222-Q227 PolarHBondContact O-N 3.01Å; V222-H228 HydrophobicContact CG1-CB 4.17Å; V222-H228 PolarHBondContact O-ND1 3.4Å; V222-Y234 HydrophobicContact CG1-CE1 4.35Å; V222-Y234 HydrophobicContact CG1-CE2 4.07Å; V222-Y234 WeakPolarHBondContact CG1-OH 3.35Å; V222-Y234 HydrophobicContact CG2-CE1 4.12Å
223	I	89.1	Confident	87.2	Confident	46 Å²	46	45.3 Å²	45.3	24%	0.236	23%	0.23	C	C	.	.	H	α-helix	trans	-64.2	-57.1	172.1	-66.1	156.3	0	0	0	110.8	M219 Q221 I225 G226 H228 K248 I249	M219-I223 WeakPolarHBondContact O-CD1 3.31Å; M219-I223 VanDerWaalsContact O-CG1 3.29Å; M219-I223 WeakPolarHBondContact O-CG1 3.19Å; M219-I223 PolarHBondContact O-N 2.86Å; Q221-I223 PolarHBondContact O-N 3.48Å; I223-I225 PolarHBondContact O-N 3.05Å; I223-G226 PolarHBondContact O-N 2.98Å; I223-H228 WeakPolarHBondContact CA-ND1 3.31Å; I223-H228 PolarHBondContact O-CE1 2.81Å; I223-H228 VanDerWaalsContact O-CE1 3.26Å; I223-H228 PolarHBondContact O-ND1 3.01Å; I223-K248 HydrophobicContact CD1-CB 3.52Å; I223-K248 HydrophobicContact CD1-CD 4.19Å; I223-K248 HydrophobicContact CD1-CG 4.47Å; I223-I249 HydrophobicContact CD1-CG2 3.73Å; I223-I249 HydrophobicContact CG1-CG2 3.74Å
224	K	86.9	Confident	87.7	Confident	125 Å²	125	41 Å²	41	54%	0.543	21%	0.206	S	C	.	.	H	α-helix	trans	-55.8	-34.3	-179.4	-71.3	165.1	-175.7	176.9	0	114	D188 E220 Q221	D188-K224 IonicContact OD1-NZ 3.18Å; E220-K224 VanDerWaalsContact O-CG 3.28Å; E220-K224 WeakPolarHBondContact O-CG 3.23Å; E220-K224 PolarHBondContact O-N 3.5Å; E220-K224 VanDerWaalsContact O-N 3.17Å; Q221-K224 PolarHBondContact O-N 3.15Å; Q221-K224 VanDerWaalsContact OE1-CD 3.32Å
225	I	86.3	Confident	88.2	Confident	56 Å²	56	38.7 Å²	38.7	29%	0.287	20%	0.196	S	C	.	.	H	α-helix	trans	-87.2	-12.1	-178.3	-58.5	166.7	0	0	0	111.4	R192 F195 Q221 I223 Q227	R192-I225 HydrophobicContact CG-CD1 3.97Å; R192-I225 HydrophobicContact CG-CG1 4.27Å; F195-I225 HydrophobicContact CB-CD1 3.94Å; F195-I225 HydrophobicContact CD2-CD1 3.77Å; F195-I225 HydrophobicContact CG-CD1 4.21Å; Q221-I225 HydrophobicContact CB-CD1 4.48Å; Q221-I225 WeakPolarHBondContact O-CB 3.33Å; Q221-I225 VanDerWaalsContact O-CG1 3.24Å; Q221-I225 WeakPolarHBondContact O-CG1 3.25Å; Q221-I225 PolarHBondContact O-N 3.42Å; I223-I225 PolarHBondContact O-N 3.05Å; I225-Q227 HydrophobicContact CG2-CG 4.07Å
226	G	84.9	Confident	88.5	Confident	29 Å²	29	38.6 Å²	38.6	30%	0.299	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.1	16.4	178.8	0	0	0	0	0	115	V222 I223 H228	V222-G226 PolarHBondContact O-N 3.12Å; I223-G226 PolarHBondContact O-N 2.98Å; G226-H228 PolarHBondContact O-N 3.47Å
227	Q	86.4	Confident	88.7	Confident	13 Å²	13	33.2 Å²	33.2	6%	0.061	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	12.9	-179.8	-63.8	-169.7	1.2	0	0	113.7	F195 V222 I225 I229 Y232 Y234	F195-Q227 PolarHBondContact O-NE2 3.42Å; V222-Q227 HydrophobicContact CG1-CB 4.16Å; V222-Q227 PolarHBondContact O-N 3.01Å; I225-Q227 HydrophobicContact CG2-CG 4.07Å; Q227-I229 VanDerWaalsContact C-N 3.35Å; Q227-Y232 HydrophobicContact CB-CD1 4.38Å; Q227-Y232 HydrophobicContact CB-CE1 4Å; Q227-Y232 HydrophobicContact CB-CE2 4.22Å; Q227-Y232 HydrophobicContact CG-CE1 4.18Å; Q227-Y232 HydrophobicContact CG-CE2 4.46Å; Q227-Y232 WeakPolarHBondContact O-CB 3.48Å; Q227-Y232 VanDerWaalsContact O-CD2 3.26Å; Q227-Y232 WeakPolarHBondContact O-CD2 3.36Å; Q227-Y234 PolarHBondContact O-OH 2.76Å; Q227-Y234 VanDerWaalsContact O-OH 3.04Å
228	H	88.2	Confident	88.9	Confident	44 Å²	44	30.8 Å²	30.8	20%	0.204	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	9.7	174.7	58.8	-72.6	0	0	0	113.5	V222 I223 G226 G252 A254	V222-H228 HydrophobicContact CG1-CB 4.17Å; V222-H228 PolarHBondContact O-ND1 3.4Å; I223-H228 WeakPolarHBondContact CA-ND1 3.31Å; I223-H228 PolarHBondContact O-CE1 2.81Å; I223-H228 VanDerWaalsContact O-CE1 3.26Å; I223-H228 PolarHBondContact O-ND1 3.01Å; G226-H228 PolarHBondContact O-N 3.47Å; H228-G252 CarbonylContact O-C 3.58Å; H228-G252 VanDerWaalsContact O-CA 3.26Å; H228-G252 WeakPolarHBondContact O-CA 3.39Å; H228-G252 VanDerWaalsContact O-O 3.13Å; H228-A254 WeakPolarHBondContact O-CB 3.46Å; H228-A254 PolarHBondContact O-N 3.24Å
229	I	86.3	Confident	89	Confident	90 Å²	90	31 Å²	31	46%	0.462	16%	0.16	S	C	.	.	B	Isolated β-bridge	trans	-80.1	161.1	-177.2	60.3	173.8	0	0	0	113.9	Q227 G231 Y232 G252	Q227-I229 VanDerWaalsContact C-N 3.35Å; I229-G231 PolarHBondContact O-N 2.7Å; I229-Y232 HydrophobicContact CD1-CE2 4.31Å; I229-Y232 HydrophobicContact CG1-CD2 3.84Å; I229-Y232 HydrophobicContact CG1-CE2 3.81Å; I229-Y232 PolarHBondContact O-N 3.26Å; I229-G252 WeakPolarHBondContact CA-O 3.26Å
230	K	82.4	Confident	89.1	Confident	75 Å²	75	30.3 Å²	30.3	33%	0.326	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46.9	125.8	170.5	-175.4	-174.4	173.6	-172.9	0	111.5	G253 D490	K230-G253 WeakPolarHBondContact CA-O 3.34Å; K230-D490 WeakPolarHBondContact CE-OD1 3.41Å; K230-D490 IonicContact NZ-OD1 3.55Å; K230-D490 PolarHBondContact NZ-OD1 2.9Å; K230-D490 IonicContact NZ-OD2 2.58Å; K230-D490 PolarHBondContact NZ-OD2 3.04Å
231	G	82.8	Confident	89.1	Confident	25 Å²	25	27.2 Å²	27.2	26%	0.258	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	115.2	-19.9	-177.7	0	0	0	0	0	113.5	R204 I229	R204-G231 WeakPolarHBondContact CB-O 3.3Å; I229-G231 PolarHBondContact O-N 2.7Å
232	Y	90.4	Very high	89.1	Confident	15 Å²	15	28 Å²	28	6%	0.059	15%	0.148	C	C	.	.			trans	-90.7	151.3	169.3	-67.4	-95.8	0	0	0	111.8	E199 E203 R204 Q227 I229 A254 N255	E199-Y232 PolarHBondContact OE2-OH 3.22Å; E203-Y232 WeakPolarHBondContact O-CE1 3.27Å; R204-Y232 PolarHBondContact NH1-OH 2.93Å; R204-Y232 PolarHBondContact NH2-OH 2.93Å; R204-Y232 CarbonylContact O-C 3.57Å; R204-Y232 WeakPolarHBondContact O-CA 3.21Å; Q227-Y232 HydrophobicContact CB-CD1 4.38Å; Q227-Y232 HydrophobicContact CB-CE1 4Å; Q227-Y232 HydrophobicContact CB-CE2 4.22Å; Q227-Y232 HydrophobicContact CG-CE1 4.18Å; Q227-Y232 HydrophobicContact CG-CE2 4.46Å; Q227-Y232 WeakPolarHBondContact O-CB 3.48Å; Q227-Y232 VanDerWaalsContact O-CD2 3.26Å; Q227-Y232 WeakPolarHBondContact O-CD2 3.36Å; I229-Y232 HydrophobicContact CD1-CE2 4.31Å; I229-Y232 HydrophobicContact CG1-CD2 3.84Å; I229-Y232 HydrophobicContact CG1-CE2 3.81Å; I229-Y232 PolarHBondContact O-N 3.26Å; Y232-A254 VanDerWaalsContact O-CA 3.31Å; Y232-A254 WeakPolarHBondContact O-CA 3.39Å; Y232-A254 WeakPolarHBondContact O-CB 3.4Å; Y232-N255 PolarHBondContact O-N 3.37Å
233	H	93.1	Very high	88.8	Confident	24 Å²	24	29.7 Å²	29.7	11%	0.111	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	121.4	174.3	-166.2	170.4	0	0	0	110.4	Y142 W144 R204 R205 V206 N255 S257	Y142-H233 AromaticContact CD1-CE1 3.92Å; Y142-H233 AromaticContact CD2-CE1 3.91Å; Y142-H233 AromaticContact CE1-CE1 3.69Å; Y142-H233 AromaticContact CE2-CE1 3.68Å; Y142-H233 AromaticContact CE2-NE2 3.84Å; Y142-H233 AromaticContact CZ-CE1 3.56Å; Y142-H233 AromaticContact CZ-NE2 3.84Å; W144-H233 HydrophobicContact CZ2-CB 3.97Å; W144-H233 AromaticContact CZ2-CG 3.65Å; W144-H233 AromaticContact CZ2-ND1 3.63Å; R204-H233 PolarHBondContact O-N 3.33Å; R205-H233 WeakPolarHBondContact CA-O 3.49Å; V206-H233 PolarHBondContact N-O 2.66Å; H233-N255 CarbonylContact C-O 3.43Å; H233-N255 VanDerWaalsContact CA-O 3.27Å; H233-N255 WeakPolarHBondContact CA-O 3.39Å; H233-N255 HydrophobicContact CB-CB 4.25Å; H233-N255 PolarHBondContact CD2-O 3.07Å; H233-S257 PolarHBondContact NE2-OG 3.37Å
234	Y	94.1	Very high	88.3	Confident	2 Å²	2	28.9 Å²	28.9	1%	0.008	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	139.1	178.6	-64.3	-89.7	0	0	0	111.5	V206 M219 V222 Q227 A254 N255 V256 S257	V206-Y234 HydrophobicContact CB-CD1 3.78Å; V206-Y234 HydrophobicContact CB-CE1 3.83Å; V206-Y234 HydrophobicContact CG1-CD1 4.36Å; V206-Y234 HydrophobicContact CG1-CE1 4.35Å; V206-Y234 HydrophobicContact CG2-CD1 4.38Å; V206-Y234 HydrophobicContact CG2-CE1 3.94Å; V206-Y234 CarbonylContact O-C 3.47Å; V206-Y234 WeakPolarHBondContact O-CA 3.48Å; M219-Y234 HydrophobicContact CE-CG 4.35Å; M219-Y234 HydrophobicContact SD-CD1 4.39Å; V222-Y234 HydrophobicContact CG1-CE1 4.35Å; V222-Y234 HydrophobicContact CG1-CE2 4.07Å; V222-Y234 WeakPolarHBondContact CG1-OH 3.35Å; V222-Y234 HydrophobicContact CG2-CE1 4.12Å; Q227-Y234 PolarHBondContact O-OH 2.76Å; Q227-Y234 VanDerWaalsContact O-OH 3.04Å; Y234-A254 HydrophobicContact CD2-CB 4.42Å; Y234-A254 HydrophobicContact CE2-CB 4.37Å; Y234-N255 PolarHBondContact N-O 3.46Å; Y234-V256 WeakPolarHBondContact O-CA 3.3Å; Y234-S257 PolarHBondContact O-N 3.06Å
235	I	95.6	Very high	88	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	122.8	169	-63.3	175.6	0	0	0	108.8	L135 L138 Y142 W144 V206 I207 L208 S257 F259	L135-I235 HydrophobicContact CD1-CG2 3.98Å; L138-I235 HydrophobicContact CD2-CD1 4.19Å; L138-I235 HydrophobicContact CD2-CG1 4.45Å; L138-I235 HydrophobicContact CD2-CG2 4Å; L138-I235 HydrophobicContact CG-CD1 4.37Å; Y142-I235 HydrophobicContact CD2-CD1 4.24Å; W144-I235 HydrophobicContact CE3-CD1 4.25Å; W144-I235 HydrophobicContact CH2-CD1 3.45Å; W144-I235 VanDerWaalsContact CH2-CD1 3.45Å; W144-I235 HydrophobicContact CH2-CG1 3.65Å; W144-I235 HydrophobicContact CZ2-CD1 3.83Å; W144-I235 HydrophobicContact CZ2-CG1 4.15Å; W144-I235 HydrophobicContact CZ3-CD1 3.68Å; W144-I235 HydrophobicContact CZ3-CG1 4.24Å; V206-I235 PolarHBondContact O-N 3.49Å; I207-I235 CarbonylContact C-O 3.57Å; I207-I235 WeakPolarHBondContact CA-O 3.44Å; I207-I235 HydrophobicContact CG1-CB 4.34Å; I207-I235 HydrophobicContact CG2-CG2 4.5Å; L208-I235 PolarHBondContact N-O 3.4Å; I235-S257 CarbonylContact C-O 3.53Å; I235-S257 WeakPolarHBondContact CA-O 3.43Å; I235-F259 HydrophobicContact CG2-CE2 4.33Å
236	I	94.4	Very high	87.8	Confident	6 Å²	6	24.6 Å²	24.6	3%	0.031	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	116.3	176	-46.4	-178	0	0	0	108.8	V215 N238 F241 L246 V256 S257 G258	V215-I236 HydrophobicContact CG1-CD1 4.18Å; V215-I236 HydrophobicContact CG1-CG2 4.07Å; V215-I236 HydrophobicContact CG2-CG2 4.15Å; I236-N238 VanDerWaalsContact C-N 3.28Å; I236-N238 HydrophobicContact CG2-CB 4.25Å; I236-N238 WeakPolarHBondContact CG2-OD1 3.42Å; I236-N238 PolarHBondContact O-N 3.31Å; I236-F241 HydrophobicContact CB-CD2 4.4Å; I236-F241 HydrophobicContact CD1-CD2 4.02Å; I236-F241 HydrophobicContact CD1-CE2 3.85Å; I236-F241 HydrophobicContact CG1-CD2 4.44Å; I236-F241 HydrophobicContact CG1-CE2 4.26Å; I236-L246 HydrophobicContact CD1-CD2 4.41Å; I236-V256 HydrophobicContact CD1-CG1 4.2Å; I236-V256 HydrophobicContact CG1-CG1 4.42Å; I236-S257 PolarHBondContact N-O 3.19Å; I236-G258 WeakPolarHBondContact O-CA 3.42Å
237	A	92.8	Very high	87.6	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.152	C	C	.	.			trans	-91.2	55.1	-180	0	0	0	0	0	111.4	I131 L135 R155 I207 L208 D209	I131-A237 VanDerWaalsContact CD1-C 3.44Å; I131-A237 HydrophobicContact CD1-CB 4.41Å; I131-A237 WeakPolarHBondContact CD1-O 3.46Å; L135-A237 HydrophobicContact CD1-CB 4.38Å; L135-A237 HydrophobicContact CD2-CB 4.23Å; R155-A237 VanDerWaalsContact CZ-O 3.31Å; R155-A237 PolarHBondContact NH1-O 3.3Å; R155-A237 PolarHBondContact NH2-O 2.87Å; I207-A237 HydrophobicContact CG2-CB 4.39Å; L208-A237 PolarHBondContact O-N 2.88Å; D209-A237 HydrophobicContact CB-CB 3.97Å
238	N	90.9	Very high	87.4	Confident	3 Å²	3	30.4 Å²	30.4	2%	0.016	17%	0.169	C	C	.	.	S	Bend	trans	-115.5	174.9	168.6	68.4	-5.4	0	0	0	109.7	I131 Q212 I236 G240 F259	I131-N238 WeakPolarHBondContact CD1-O 3.41Å; Q212-N238 PolarHBondContact OE1-ND2 2.84Å; I236-N238 VanDerWaalsContact C-N 3.28Å; I236-N238 HydrophobicContact CG2-CB 4.25Å; I236-N238 WeakPolarHBondContact CG2-OD1 3.42Å; I236-N238 PolarHBondContact O-N 3.31Å; N238-G240 PolarHBondContact ND2-O 2.9Å; N238-F259 WeakPolarHBondContact O-CB 3.49Å
239	L	91.1	Very high	87.2	Confident	4 Å²	4	28.8 Å²	28.8	2%	0.021	16%	0.162	C	C	.	.	S	Bend	trans	-103.3	6.7	173.5	-65.9	174.5	0	0	0	112.9	R128 P129 I131 F259 Q260 I261 Y293 V371	R128-L239 HydrophobicContact CG-CD1 3.62Å; P129-L239 HydrophobicContact CG-CD1 3.78Å; I131-L239 HydrophobicContact CD1-CD2 4.09Å; I131-L239 HydrophobicContact CD1-CG 4.36Å; I131-L239 HydrophobicContact CG1-CD2 4.24Å; L239-F259 CarbonylContact C-O 3.54Å; L239-Q260 WeakPolarHBondContact O-CA 3.1Å; L239-I261 HydrophobicContact CB-CB 4.27Å; L239-I261 HydrophobicContact CB-CG2 3.99Å; L239-I261 PolarHBondContact O-N 3.08Å; L239-Y293 HydrophobicContact CB-CD2 3.81Å; L239-Y293 HydrophobicContact CB-CE2 4.08Å; L239-Y293 HydrophobicContact CB-CG 4.05Å; L239-Y293 HydrophobicContact CD1-CD2 4.43Å; L239-Y293 HydrophobicContact CD1-CE2 4.39Å; L239-V371 HydrophobicContact CD2-CG1 4.23Å
240	G	89.7	Confident	87	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-133.5	67.1	-176.6	0	0	0	0	0	110.4	N238 V242 D243 F259	N238-G240 PolarHBondContact ND2-O 2.9Å; G240-V242 PolarHBondContact O-N 3.41Å; G240-D243 VanDerWaalsContact CA-CG 3.42Å; G240-D243 WeakPolarHBondContact CA-OD1 3.25Å; G240-D243 WeakPolarHBondContact O-CB 3.28Å; G240-D243 PolarHBondContact O-N 3.11Å; G240-F259 PolarHBondContact N-O 3.09Å
241	F	89.6	Confident	87	Confident	1 Å²	1	31.4 Å²	31.4	0%	0.004	17%	0.167	C	C	.	.	S	Bend	trans	-58.4	-37.9	176.8	-173.4	-113.6	0	0	0	112.1	I236 D243 L246 V256 S257 F259 M374 L376 P381	I236-F241 HydrophobicContact CB-CD2 4.4Å; I236-F241 HydrophobicContact CD1-CD2 4.02Å; I236-F241 HydrophobicContact CD1-CE2 3.85Å; I236-F241 HydrophobicContact CG1-CD2 4.44Å; I236-F241 HydrophobicContact CG1-CE2 4.26Å; F241-D243 VanDerWaalsContact C-N 3.33Å; F241-L246 HydrophobicContact CD1-CD1 3.87Å; F241-L246 HydrophobicContact CE1-CD1 3.61Å; F241-L246 HydrophobicContact CE2-CD2 4.43Å; F241-L246 HydrophobicContact CG-CD1 4.46Å; F241-L246 HydrophobicContact CZ-CD1 3.98Å; F241-L246 HydrophobicContact CZ-CD2 4.43Å; F241-V256 HydrophobicContact CE2-CG1 4.01Å; F241-V256 HydrophobicContact CZ-CG1 4.14Å; F241-S257 VanDerWaalsContact CE2-C 3.44Å; F241-F259 WeakPolarHBondContact CB-O 3.43Å; F241-F259 PolarHBondContact N-O 3.36Å; F241-M374 HydrophobicContact CB-CB 4.37Å; F241-M374 HydrophobicContact CB-CG 4.4Å; F241-M374 HydrophobicContact CD1-CB 3.38Å; F241-M374 HydrophobicContact CD1-CG 4.07Å; F241-M374 HydrophobicContact CE1-CB 3.79Å; F241-M374 HydrophobicContact CG-CB 4.01Å; F241-L376 HydrophobicContact CZ-CB 4.21Å; F241-P381 HydrophobicContact CD1-CB 4.16Å; F241-P381 HydrophobicContact CE1-CB 3.95Å
242	V	86.8	Confident	86.8	Confident	31 Å²	31	31.2 Å²	31.2	19%	0.188	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-13.4	-178.4	-176.2	0	0	0	0	112.4	G240 G244 F264 K290 P381	G240-V242 PolarHBondContact O-N 3.41Å; V242-G244 PolarHBondContact O-N 3.19Å; V242-F264 HydrophobicContact CB-CE2 4.22Å; V242-F264 HydrophobicContact CG1-CE2 4.19Å; V242-K290 HydrophobicContact CG1-CD 4.37Å; V242-P381 HydrophobicContact CG2-CB 4.46Å; V242-P381 HydrophobicContact CG2-CG 4.24Å
243	D	83.6	Confident	86.3	Confident	35 Å²	35	32.2 Å²	32.2	19%	0.187	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	8.7	179.8	-50.6	25.1	0	0	0	113.1	Q212 G240 F241 R292 Y293	Q212-D243 PolarHBondContact NE2-O 2.89Å; G240-D243 VanDerWaalsContact CA-CG 3.42Å; G240-D243 WeakPolarHBondContact CA-OD1 3.25Å; G240-D243 WeakPolarHBondContact O-CB 3.28Å; G240-D243 PolarHBondContact O-N 3.11Å; F241-D243 VanDerWaalsContact C-N 3.33Å; D243-R292 WeakPolarHBondContact OD2-CA 3.49Å; D243-Y293 WeakPolarHBondContact OD2-CD1 3.39Å; D243-Y293 PolarHBondContact OD2-N 3.16Å
244	G	78.9	Confident	86.1	Confident	29 Å²	29	31.8 Å²	31.8	30%	0.299	18%	0.18	S	C	.	.	S	Bend	trans	-131.2	156.9	-172.2	0	0	0	0	0	113.1	Q212 V242 L246	Q212-G244 VanDerWaalsContact NE2-CA 3.28Å; Q212-G244 VanDerWaalsContact NE2-N 3.18Å; V242-G244 PolarHBondContact O-N 3.19Å; G244-L246 VanDerWaalsContact C-N 3.3Å; G244-L246 PolarHBondContact O-N 3.01Å
245	D	79.9	Confident	86	Confident	74 Å²	74	35 Å²	35	40%	0.396	20%	0.197	S	C	.	.			trans	-75.3	80.9	176.2	-179.9	13.5	0	0	0	111.3	S247 K248	D245-S247 VanDerWaalsContact C-N 3.25Å; D245-S247 PolarHBondContact O-N 2.87Å; D245-S247 WeakPolarHBondContact OD1-CB 3.44Å; D245-S247 PolarHBondContact OD1-N 2.96Å; D245-S247 PolarHBondContact OD1-OG 3.16Å; D245-K248 VanDerWaalsContact OD2-CD 3.26Å; D245-K248 WeakPolarHBondContact OD2-CD 3.5Å; D245-K248 WeakPolarHBondContact OD2-CE 3.39Å; D245-K248 IonicContact OD2-NZ 2.74Å; D245-K248 PolarHBondContact OD2-NZ 2.95Å
246	L	81.4	Confident	85.9	Confident	17 Å²	17	35 Å²	35	9%	0.089	20%	0.198	C	C	.	.			trans	-75.7	-10.9	174.8	-59.1	179.3	0	0	0	112.9	I236 F241 G244 K248 I249 Q250 L376 P381	I236-L246 HydrophobicContact CD1-CD2 4.41Å; F241-L246 HydrophobicContact CD1-CD1 3.87Å; F241-L246 HydrophobicContact CE1-CD1 3.61Å; F241-L246 HydrophobicContact CE2-CD2 4.43Å; F241-L246 HydrophobicContact CG-CD1 4.46Å; F241-L246 HydrophobicContact CZ-CD1 3.98Å; F241-L246 HydrophobicContact CZ-CD2 4.43Å; G244-L246 VanDerWaalsContact C-N 3.3Å; G244-L246 PolarHBondContact O-N 3.01Å; L246-K248 VanDerWaalsContact C-N 3.33Å; L246-K248 PolarHBondContact O-N 3.4Å; L246-I249 HydrophobicContact CD2-CD1 4.04Å; L246-I249 WeakPolarHBondContact O-CG1 3.4Å; L246-I249 PolarHBondContact O-N 3.29Å; L246-Q250 PolarHBondContact O-N 2.95Å; L246-Q250 VanDerWaalsContact O-N 3.16Å; L246-L376 HydrophobicContact CB-CD1 4.18Å; L246-L376 HydrophobicContact CB-CD2 4.15Å; L246-L376 HydrophobicContact CD1-CD1 4.3Å; L246-P381 HydrophobicContact CD1-CB 4.28Å
247	S	81.3	Confident	85.8	Confident	68 Å²	68	34.8 Å²	34.8	48%	0.476	20%	0.196	S	C	.	.	H	α-helix	trans	-63.4	-39.1	-172.6	74.2	0	0	0	0	112.4	D245 I249 Q250	D245-S247 VanDerWaalsContact C-N 3.25Å; D245-S247 PolarHBondContact O-N 2.87Å; D245-S247 WeakPolarHBondContact OD1-CB 3.44Å; D245-S247 PolarHBondContact OD1-N 2.96Å; D245-S247 PolarHBondContact OD1-OG 3.16Å; S247-I249 PolarHBondContact O-N 3.46Å; S247-Q250 PolarHBondContact O-N 3.45Å
248	K	81.7	Confident	85.8	Confident	95 Å²	95	34.8 Å²	34.8	41%	0.413	20%	0.196	S	C	.	.	H	α-helix	trans	-65.4	-19.7	-178.9	-64.5	172.6	173.5	140.8	0	114.4	E220 I223 D245 L246	E220-K248 IonicContact OE1-NZ 3.47Å; E220-K248 PolarHBondContact OE1-NZ 3.42Å; I223-K248 HydrophobicContact CD1-CB 3.52Å; I223-K248 HydrophobicContact CD1-CD 4.19Å; I223-K248 HydrophobicContact CD1-CG 4.47Å; D245-K248 VanDerWaalsContact OD2-CD 3.26Å; D245-K248 WeakPolarHBondContact OD2-CD 3.5Å; D245-K248 WeakPolarHBondContact OD2-CE 3.39Å; D245-K248 IonicContact OD2-NZ 2.74Å; D245-K248 PolarHBondContact OD2-NZ 2.95Å; L246-K248 VanDerWaalsContact C-N 3.33Å; L246-K248 PolarHBondContact O-N 3.4Å
249	I	83.5	Confident	86	Confident	10 Å²	10	34.7 Å²	34.7	5%	0.051	20%	0.196	C	C	.	.	H	α-helix	trans	-111.5	-15.9	-176.4	56.1	-179.4	0	0	0	113.4	M219 I223 L246 S247 Y251 G252 V256 L376	M219-I249 HydrophobicContact CE-CD1 3.43Å; M219-I249 VanDerWaalsContact CE-CD1 3.43Å; M219-I249 HydrophobicContact CE-CG2 4.26Å; I223-I249 HydrophobicContact CD1-CG2 3.73Å; I223-I249 HydrophobicContact CG1-CG2 3.74Å; L246-I249 HydrophobicContact CD2-CD1 4.04Å; L246-I249 WeakPolarHBondContact O-CG1 3.4Å; L246-I249 PolarHBondContact O-N 3.29Å; S247-I249 PolarHBondContact O-N 3.46Å; I249-Y251 PolarHBondContact O-N 3Å; I249-Y251 VanDerWaalsContact O-N 3.16Å; I249-G252 PolarHBondContact O-N 3.35Å; I249-V256 HydrophobicContact CD1-CG1 4.26Å; I249-V256 HydrophobicContact CD1-CG2 4.16Å; I249-L376 HydrophobicContact CD1-CD2 4.2Å; I249-L376 HydrophobicContact CG1-CD2 3.81Å
250	Q	83.3	Confident	86.1	Confident	37 Å²	37	35 Å²	35	17%	0.173	20%	0.197	C	C	.	.	H	α-helix	trans	-50.7	-39.1	-179.2	-174.3	169.9	-24.3	0	0	113.6	L246 S247 L376 T377 D378	L246-Q250 PolarHBondContact O-N 2.95Å; L246-Q250 VanDerWaalsContact O-N 3.16Å; S247-Q250 PolarHBondContact O-N 3.45Å; Q250-L376 HydrophobicContact CB-CD2 4.41Å; Q250-L376 HydrophobicContact CG-CD1 4.39Å; Q250-T377 WeakPolarHBondContact CG-O 3.23Å; Q250-D378 PolarHBondContact NE2-O 2.83Å
251	Y	81.8	Confident	86.3	Confident	184 Å²	184	35.4 Å²	35.4	72%	0.722	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.8	7.9	-178.3	-55.5	-64.7	0	0	0	114.8	I249	I249-Y251 PolarHBondContact O-N 3Å; I249-Y251 VanDerWaalsContact O-N 3.16Å
252	G	78.3	Confident	86.4	Confident	20 Å²	20	35.4 Å²	35.4	21%	0.206	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-32.8	178.6	0	0	0	0	0	114.1	H228 I229 I249	H228-G252 CarbonylContact O-C 3.58Å; H228-G252 VanDerWaalsContact O-CA 3.26Å; H228-G252 WeakPolarHBondContact O-CA 3.39Å; H228-G252 VanDerWaalsContact O-O 3.13Å; I229-G252 WeakPolarHBondContact CA-O 3.26Å; I249-G252 PolarHBondContact O-N 3.35Å
253	G	81.4	Confident	86.6	Confident	37 Å²	37	36.1 Å²	36.1	38%	0.381	20%	0.202	S	C	.	.	B	Isolated β-bridge	trans	85.6	-0.9	-177.1	0	0	0	0	0	115.3	K230	K230-G253 WeakPolarHBondContact CA-O 3.34Å
254	A	88.5	Confident	86.7	Confident	15 Å²	15	37 Å²	37	12%	0.124	21%	0.205	C	C	.	.			trans	-68.7	142.4	159.1	0	0	0	0	0	110.5	H228 Y232 Y234	H228-A254 WeakPolarHBondContact O-CB 3.46Å; H228-A254 PolarHBondContact O-N 3.24Å; Y232-A254 VanDerWaalsContact O-CA 3.31Å; Y232-A254 WeakPolarHBondContact O-CA 3.39Å; Y232-A254 WeakPolarHBondContact O-CB 3.4Å; Y234-A254 HydrophobicContact CD2-CB 4.42Å; Y234-A254 HydrophobicContact CE2-CB 4.37Å
255	N	91	Very high	87.1	Confident	68 Å²	68	42.5 Å²	42.5	36%	0.364	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	138.4	172.9	-76.3	32.3	0	0	0	109.4	Y232 H233 Y234	Y232-N255 PolarHBondContact O-N 3.37Å; H233-N255 CarbonylContact C-O 3.43Å; H233-N255 VanDerWaalsContact CA-O 3.27Å; H233-N255 WeakPolarHBondContact CA-O 3.39Å; H233-N255 HydrophobicContact CB-CB 4.25Å; H233-N255 PolarHBondContact CD2-O 3.07Å; Y234-N255 PolarHBondContact N-O 3.46Å
256	V	93.1	Very high	87.5	Confident	2 Å²	2	42.2 Å²	42.2	1%	0.012	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	122.6	177.4	-173	0	0	0	0	109	Y234 I236 F241 I249 L376	Y234-V256 WeakPolarHBondContact O-CA 3.3Å; I236-V256 HydrophobicContact CD1-CG1 4.2Å; I236-V256 HydrophobicContact CG1-CG1 4.42Å; F241-V256 HydrophobicContact CE2-CG1 4.01Å; F241-V256 HydrophobicContact CZ-CG1 4.14Å; I249-V256 HydrophobicContact CD1-CG1 4.26Å; I249-V256 HydrophobicContact CD1-CG2 4.16Å; V256-L376 HydrophobicContact CB-CB 4.07Å; V256-L376 HydrophobicContact CB-CD2 4.25Å; V256-L376 HydrophobicContact CG2-CD2 4.45Å; V256-L376 PolarHBondContact O-N 2.89Å
257	S	93.4	Very high	88	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	158.1	-176.7	-43.4	0	0	0	0	110.8	Y142 H233 Y234 I235 I236 F241 M374	Y142-S257 PolarHBondContact OH-OG 2.87Å; H233-S257 PolarHBondContact NE2-OG 3.37Å; Y234-S257 PolarHBondContact O-N 3.06Å; I235-S257 CarbonylContact C-O 3.53Å; I235-S257 WeakPolarHBondContact CA-O 3.43Å; I236-S257 PolarHBondContact N-O 3.19Å; F241-S257 VanDerWaalsContact CE2-C 3.44Å; S257-M374 VanDerWaalsContact CA-O 3.31Å; S257-M374 WeakPolarHBondContact CA-O 3.5Å
258	G	93.6	Very high	88.4	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.1	-165.9	174.1	0	0	0	0	0	112.5	I236 M374	I236-G258 WeakPolarHBondContact O-CA 3.42Å; G258-M374 PolarHBondContact N-O 3.2Å; G258-M374 PolarHBondContact O-N 2.95Å
259	F	94	Very high	88.8	Confident	1 Å²	1	41 Å²	41	0%	0.004	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	145.2	-173.2	-48.4	-86.6	0	0	0	111.9	I131 P134 L135 L138 I235 N238 L239 G240 F241 V371 G372 V373	I131-F259 HydrophobicContact CD1-CD2 4.05Å; I131-F259 HydrophobicContact CG1-CD2 4.32Å; P134-F259 HydrophobicContact CB-CD1 3.84Å; P134-F259 HydrophobicContact CB-CE1 3.65Å; P134-F259 HydrophobicContact CB-CZ 4.29Å; L135-F259 HydrophobicContact CB-CZ 4.42Å; L135-F259 HydrophobicContact CD1-CE2 4.13Å; L135-F259 HydrophobicContact CD1-CZ 4.31Å; L138-F259 HydrophobicContact CB-CE1 4.23Å; L138-F259 HydrophobicContact CB-CZ 3.97Å; L138-F259 HydrophobicContact CD2-CE1 3.88Å; L138-F259 HydrophobicContact CD2-CE2 4.21Å; L138-F259 HydrophobicContact CD2-CZ 3.44Å; L138-F259 VanDerWaalsContact CD2-CZ 3.44Å; L138-F259 HydrophobicContact CG-CZ 4.34Å; I235-F259 HydrophobicContact CG2-CE2 4.33Å; N238-F259 WeakPolarHBondContact O-CB 3.49Å; L239-F259 CarbonylContact C-O 3.54Å; G240-F259 PolarHBondContact N-O 3.09Å; F241-F259 WeakPolarHBondContact CB-O 3.43Å; F241-F259 PolarHBondContact N-O 3.36Å; F259-V371 HydrophobicContact CB-CG1 3.68Å; F259-V371 HydrophobicContact CD1-CG1 4.13Å; F259-V371 HydrophobicContact CG-CG1 4.3Å; F259-G372 WeakPolarHBondContact CA-O 3.32Å; F259-V373 HydrophobicContact CD1-CG2 4.31Å; F259-V373 HydrophobicContact CE1-CG2 4.37Å
260	Q	93.1	Very high	89.1	Confident	11 Å²	11	42.8 Å²	42.8	5%	0.051	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	121.3	179.8	-171	68.6	28.3	0	0	109	L239 V262 G372 M374	L239-Q260 WeakPolarHBondContact O-CA 3.1Å; Q260-V262 WeakPolarHBondContact CG-O 3.39Å; Q260-V262 PolarHBondContact NE2-O 3.24Å; Q260-G372 PolarHBondContact N-O 3.06Å; Q260-G372 WeakPolarHBondContact O-CA 3.47Å; Q260-G372 PolarHBondContact O-N 3.04Å; Q260-M374 HydrophobicContact CB-CG 3.65Å; Q260-M374 HydrophobicContact CB-SD 4.24Å
261	I	93.4	Very high	89.5	Confident	9 Å²	9	48 Å²	48	5%	0.046	25%	0.251	C	S	.	.	S	Bend	trans	-90.8	-31.6	175.2	-169.3	59.7	0	0	0	112.7	P129 L239 T370 V371	P129-I261 HydrophobicContact CG-CD1 4.06Å; P129-I261 HydrophobicContact CG-CG1 4.3Å; L239-I261 HydrophobicContact CB-CB 4.27Å; L239-I261 HydrophobicContact CB-CG2 3.99Å; L239-I261 PolarHBondContact O-N 3.08Å; I261-T370 WeakPolarHBondContact CD1-O 3.18Å; I261-V371 HydrophobicContact CD1-CG2 4.45Å
262	V	92.8	Very high	89.9	Confident	1 Å²	1	40 Å²	40	1%	0.006	22%	0.221	C	C	.	.	S	Bend	trans	-90.5	110.4	177.9	-178.1	0	0	0	0	109.3	Q260 F264 V269 A296	Q260-V262 WeakPolarHBondContact CG-O 3.39Å; Q260-V262 PolarHBondContact NE2-O 3.24Å; V262-F264 HydrophobicContact CG1-CE1 4.16Å; V262-F264 HydrophobicContact CG1-CZ 4.22Å; V262-V269 HydrophobicContact CG1-CG1 3.67Å; V262-V269 HydrophobicContact CG1-CG2 4.38Å; V262-A296 HydrophobicContact CG2-CB 3.47Å; V262-A296 VanDerWaalsContact CG2-CB 3.47Å
263	D	89.9	Confident	90.4	Very high	46 Å²	46	40 Å²	40	25%	0.246	22%	0.216	C	C	.	.			trans	-90.8	105.2	-179.7	-162.9	-21.2	0	0	0	112.1	E265 E266 V269 K383	D263-E265 PolarHBondContact O-N 3.11Å; D263-E265 WeakPolarHBondContact OD1-CB 3.48Å; D263-E265 PolarHBondContact OD1-N 2.92Å; D263-E266 WeakPolarHBondContact O-CB 3.44Å; D263-E266 PolarHBondContact O-N 2.85Å; D263-E266 VanDerWaalsContact O-N 3.09Å; D263-V269 VanDerWaalsContact O-CB 3.3Å; D263-V269 WeakPolarHBondContact O-CB 3.45Å; D263-V269 WeakPolarHBondContact O-CG2 3.43Å; D263-K383 IonicContact OD2-NZ 3.52Å; D263-K383 PolarHBondContact OD2-NZ 2.83Å
264	F	87.7	Confident	90.7	Very high	54 Å²	54	44.3 Å²	44.3	24%	0.237	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-11.5	-179.9	-59.2	-78	0	0	0	114.1	V242 V262 E266 V269 I291	V242-F264 HydrophobicContact CB-CE2 4.22Å; V242-F264 HydrophobicContact CG1-CE2 4.19Å; V262-F264 HydrophobicContact CG1-CE1 4.16Å; V262-F264 HydrophobicContact CG1-CZ 4.22Å; F264-E266 VanDerWaalsContact C-N 3.29Å; F264-V269 HydrophobicContact CD1-CG1 3.99Å; F264-I291 HydrophobicContact CE1-CG2 4.46Å
265	E	86.4	Confident	90.8	Very high	143 Å²	143	49.2 Å²	49.2	67%	0.668	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-15.9	169.8	-65.4	-171.8	-166	0	0	112.4	D263	D263-E265 PolarHBondContact O-N 3.11Å; D263-E265 WeakPolarHBondContact OD1-CB 3.48Å; D263-E265 PolarHBondContact OD1-N 2.92Å
266	E	89	Confident	90.7	Very high	68 Å²	68	46 Å²	46	32%	0.318	22%	0.224	S	C	.	.	S	Bend	trans	-74.8	132.9	-174.8	-168	175	161.8	0	0	112.5	D263 F264 L268 V269 S270	D263-E266 WeakPolarHBondContact O-CB 3.44Å; D263-E266 PolarHBondContact O-N 2.85Å; D263-E266 VanDerWaalsContact O-N 3.09Å; F264-E266 VanDerWaalsContact C-N 3.29Å; E266-L268 HydrophobicContact CG-CB 4.49Å; E266-L268 PolarHBondContact O-N 3.04Å; E266-L268 VanDerWaalsContact O-N 3.08Å; E266-V269 HydrophobicContact CB-CB 4.34Å; E266-V269 HydrophobicContact CB-CG2 4.14Å; E266-V269 PolarHBondContact O-N 3.12Å; E266-V269 VanDerWaalsContact O-N 3.15Å; E266-S270 WeakPolarHBondContact O-CB 3.37Å; E266-S270 PolarHBondContact O-N 2.88Å
267	P	90.1	Very high	90.3	Very high	91 Å²	91	51.4 Å²	51.4	59%	0.591	25%	0.249	S	C	*	.	H	α-helix	trans	-60.5	-21	-178.6	-27	35.8	0	0	0	116	K271	P267-K271 WeakPolarHBondContact O-CD 3.34Å; P267-K271 VanDerWaalsContact O-CG 3.25Å; P267-K271 WeakPolarHBondContact O-CG 3.34Å
268	L	90.2	Very high	90.1	Very high	64 Å²	64	55.3 Å²	55.3	34%	0.335	28%	0.281	S	S	.	.	H	α-helix	trans	-75.4	-54.2	173.4	-169.6	163	0	0	0	110	E266 S270 K271 F272 L354	E266-L268 HydrophobicContact CG-CB 4.49Å; E266-L268 PolarHBondContact O-N 3.04Å; E266-L268 VanDerWaalsContact O-N 3.08Å; L268-S270 VanDerWaalsContact C-N 3.35Å; L268-S270 PolarHBondContact O-N 3.47Å; L268-K271 PolarHBondContact O-N 3.18Å; L268-F272 PolarHBondContact O-N 3.41Å; L268-L354 HydrophobicContact CD2-CD2 3.77Å
269	V	91.1	Very high	89.8	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.006	29%	0.293	C	S	.	.	H	α-helix	trans	-60.3	-42.9	178.2	179.9	0	0	0	0	111.2	V262 D263 F264 E266 K271 F272 N273 L354	V262-V269 HydrophobicContact CG1-CG1 3.67Å; V262-V269 HydrophobicContact CG1-CG2 4.38Å; D263-V269 VanDerWaalsContact O-CB 3.3Å; D263-V269 WeakPolarHBondContact O-CB 3.45Å; D263-V269 WeakPolarHBondContact O-CG2 3.43Å; F264-V269 HydrophobicContact CD1-CG1 3.99Å; E266-V269 HydrophobicContact CB-CB 4.34Å; E266-V269 HydrophobicContact CB-CG2 4.14Å; E266-V269 PolarHBondContact O-N 3.12Å; E266-V269 VanDerWaalsContact O-N 3.15Å; V269-K271 PolarHBondContact O-N 2.75Å; V269-F272 WeakPolarHBondContact O-CB 3.37Å; V269-F272 PolarHBondContact O-N 3.49Å; V269-N273 WeakPolarHBondContact O-CB 3.28Å; V269-N273 PolarHBondContact O-N 3.48Å; V269-L354 HydrophobicContact CB-CD2 4.38Å; V269-L354 HydrophobicContact CG2-CD2 3.97Å
270	S	89.7	Confident	89.5	Confident	46 Å²	46	63.6 Å²	63.6	32%	0.322	32%	0.321	S	S	.	.	H	α-helix	trans	-60.1	-43.5	178.6	-172.2	0	0	0	0	112.5	E266 L268 N273 Q274	E266-S270 WeakPolarHBondContact O-CB 3.37Å; E266-S270 PolarHBondContact O-N 2.88Å; L268-S270 VanDerWaalsContact C-N 3.35Å; L268-S270 PolarHBondContact O-N 3.47Å; S270-N273 PolarHBondContact O-N 2.86Å; S270-Q274 WeakPolarHBondContact O-CG 3.03Å; S270-Q274 PolarHBondContact O-N 3.14Å
271	K	90.7	Very high	89.2	Confident	147 Å²	147	68.9 Å²	68.9	64%	0.639	35%	0.346	S	S	*	.	H	α-helix	trans	-66.6	-37.4	174.4	-73.6	171.8	-174.5	173.1	0	112.7	P267 L268 V269 R275	P267-K271 WeakPolarHBondContact O-CD 3.34Å; P267-K271 VanDerWaalsContact O-CG 3.25Å; P267-K271 WeakPolarHBondContact O-CG 3.34Å; L268-K271 PolarHBondContact O-N 3.18Å; V269-K271 PolarHBondContact O-N 2.75Å; K271-R275 PolarHBondContact O-N 2.94Å
272	F	91.4	Very high	88.8	Confident	17 Å²	17	77.2 Å²	77.2	8%	0.075	38%	0.382	C	S	.	.	H	α-helix	trans	-64.3	-46.8	174.1	177.8	-84.6	0	0	0	110.7	I45 L268 V269 Q274 R275 W276 I291 Y299 L354	I45-F272 HydrophobicContact CG2-CE2 4.22Å; L268-F272 PolarHBondContact O-N 3.41Å; V269-F272 WeakPolarHBondContact O-CB 3.37Å; V269-F272 PolarHBondContact O-N 3.49Å; F272-Q274 PolarHBondContact O-N 2.94Å; F272-R275 WeakPolarHBondContact O-CB 3.38Å; F272-R275 PolarHBondContact O-N 2.79Å; F272-R275 VanDerWaalsContact O-N 3.08Å; F272-W276 HydrophobicContact CD1-CB 4.34Å; F272-W276 HydrophobicContact CE1-CB 3.95Å; F272-W276 HydrophobicContact CE1-CD2 4.16Å; F272-W276 AromaticContact CE1-CE3 3.88Å; F272-W276 HydrophobicContact CE1-CE3 3.88Å; F272-W276 HydrophobicContact CE1-CG 4.21Å; F272-W276 HydrophobicContact CZ-CD2 4.44Å; F272-W276 AromaticContact CZ-CE3 3.72Å; F272-W276 HydrophobicContact CZ-CE3 3.72Å; F272-W276 HydrophobicContact CZ-CZ3 4.43Å; F272-W276 WeakPolarHBondContact O-CB 3.5Å; F272-W276 PolarHBondContact O-N 3.07Å; F272-I291 HydrophobicContact CD1-CD1 4.45Å; F272-I291 HydrophobicContact CE1-CB 4.38Å; F272-I291 HydrophobicContact CE1-CD1 3.42Å; F272-I291 VanDerWaalsContact CE1-CD1 3.42Å; F272-I291 HydrophobicContact CE1-CG1 4.47Å; F272-I291 HydrophobicContact CE1-CG2 4.27Å; F272-I291 HydrophobicContact CZ-CD1 3.71Å; F272-Y299 HydrophobicContact CD2-CD2 4.45Å; F272-Y299 HydrophobicContact CD2-CE1 4.26Å; F272-Y299 AromaticContact CD2-CE2 3.95Å; F272-Y299 HydrophobicContact CD2-CE2 3.95Å; F272-Y299 AromaticContact CD2-CZ 3.82Å; F272-Y299 HydrophobicContact CE2-CD1 4.49Å; F272-Y299 AromaticContact CE2-CD2 3.66Å; F272-Y299 HydrophobicContact CE2-CD2 3.66Å; F272-Y299 HydrophobicContact CE2-CE1 4.35Å; F272-Y299 AromaticContact CE2-CE2 3.5Å; F272-Y299 HydrophobicContact CE2-CE2 3.5Å; F272-Y299 VanDerWaalsContact CE2-CE2 3.5Å; F272-Y299 HydrophobicContact CE2-CG 4.15Å; F272-Y299 AromaticContact CE2-CZ 3.85Å; F272-Y299 HydrophobicContact CZ-CD2 4.36Å; F272-L354 HydrophobicContact CB-CD2 3.8Å; F272-L354 HydrophobicContact CD1-CD1 4.03Å; F272-L354 HydrophobicContact CD1-CD2 4.17Å; F272-L354 HydrophobicContact CD2-CD1 4.24Å; F272-L354 HydrophobicContact CD2-CD2 4.38Å; F272-L354 HydrophobicContact CE1-CD1 4.09Å; F272-L354 HydrophobicContact CE2-CD1 4.27Å; F272-L354 HydrophobicContact CG-CD1 4.12Å; F272-L354 HydrophobicContact CG-CD2 3.84Å; F272-L354 HydrophobicContact CZ-CD1 4.2Å
273	N	88.1	Confident	88.6	Confident	19 Å²	19	82.1 Å²	82.1	10%	0.102	41%	0.405	C	S	.	.	H	α-helix	trans	-62.7	-44.5	-178.3	-165.8	86.7	0	0	0	111.9	V269 S270 R275 W276 E277	V269-N273 WeakPolarHBondContact O-CB 3.28Å; V269-N273 PolarHBondContact O-N 3.48Å; S270-N273 PolarHBondContact O-N 2.86Å; N273-R275 PolarHBondContact O-N 3.25Å; N273-W276 PolarHBondContact O-N 2.86Å; N273-W276 VanDerWaalsContact O-N 3.12Å; N273-E277 PolarHBondContact ND2-OE1 3.16Å; N273-E277 PolarHBondContact ND2-OE2 3.47Å; N273-E277 WeakPolarHBondContact O-CB 3.47Å; N273-E277 WeakPolarHBondContact O-CG 3.38Å; N273-E277 PolarHBondContact O-N 3.27Å
274	Q	88.4	Confident	88.4	Confident	127 Å²	127	81.4 Å²	81.4	59%	0.593	40%	0.399	S	S	*	.	H	α-helix	trans	-57.5	-31.8	172.9	-73.7	171.7	10	0	0	113.5	S270 F272	S270-Q274 WeakPolarHBondContact O-CG 3.03Å; S270-Q274 PolarHBondContact O-N 3.14Å; F272-Q274 PolarHBondContact O-N 2.94Å
275	R	89.2	Confident	88.4	Confident	118 Å²	118	81.5 Å²	81.5	45%	0.445	41%	0.405	S	S	.	.	H	α-helix	trans	-81.6	-36.2	175.7	-179.4	176.5	175.8	-175.4	-3.2	112.1	K271 F272 N273 A278	K271-R275 PolarHBondContact O-N 2.94Å; F272-R275 WeakPolarHBondContact O-CB 3.38Å; F272-R275 PolarHBondContact O-N 2.79Å; F272-R275 VanDerWaalsContact O-N 3.08Å; N273-R275 PolarHBondContact O-N 3.25Å; R275-A278 PolarHBondContact O-N 3.04Å
276	W	89.3	Confident	88	Confident	2 Å²	2	75.8 Å²	75.8	1%	0.008	38%	0.384	C	S	.	.	H	α-helix	trans	-64.8	-47.4	178.5	175.1	-87.8	0	0	0	111.3	Q38 A42 I45 F272 N273 A278 L279 A287 S289 I291	Q38-W276 HydrophobicContact CG-CH2 3.6Å; Q38-W276 HydrophobicContact CG-CZ2 3.47Å; Q38-W276 VanDerWaalsContact CG-CZ2 3.47Å; A42-W276 HydrophobicContact CB-CH2 4.48Å; A42-W276 HydrophobicContact CB-CZ3 4.13Å; I45-W276 HydrophobicContact CD1-CE3 3.63Å; I45-W276 HydrophobicContact CD1-CZ3 3.51Å; F272-W276 HydrophobicContact CD1-CB 4.34Å; F272-W276 HydrophobicContact CE1-CB 3.95Å; F272-W276 HydrophobicContact CE1-CD2 4.16Å; F272-W276 AromaticContact CE1-CE3 3.88Å; F272-W276 HydrophobicContact CE1-CE3 3.88Å; F272-W276 HydrophobicContact CE1-CG 4.21Å; F272-W276 HydrophobicContact CZ-CD2 4.44Å; F272-W276 AromaticContact CZ-CE3 3.72Å; F272-W276 HydrophobicContact CZ-CE3 3.72Å; F272-W276 HydrophobicContact CZ-CZ3 4.43Å; F272-W276 WeakPolarHBondContact O-CB 3.5Å; F272-W276 PolarHBondContact O-N 3.07Å; N273-W276 PolarHBondContact O-N 2.86Å; N273-W276 VanDerWaalsContact O-N 3.12Å; W276-A278 PolarHBondContact O-N 2.92Å; W276-A278 VanDerWaalsContact O-N 3.1Å; W276-L279 PolarHBondContact O-N 2.98Å; W276-A287 HydrophobicContact CZ2-CB 4.35Å; W276-A287 PolarHBondContact NE1-O 2.77Å; W276-S289 PolarHBondContact NE1-O 2.96Å; W276-I291 HydrophobicContact CE3-CD1 4.44Å; W276-I291 HydrophobicContact CZ3-CD1 4.42Å
277	E	86.1	Confident	87.6	Confident	114 Å²	114	72.6 Å²	72.6	53%	0.533	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-11.3	174.3	-68.9	170	164.7	0	0	113.6	N273	N273-E277 PolarHBondContact ND2-OE1 3.16Å; N273-E277 PolarHBondContact ND2-OE2 3.47Å; N273-E277 WeakPolarHBondContact O-CB 3.47Å; N273-E277 WeakPolarHBondContact O-CG 3.38Å; N273-E277 PolarHBondContact O-N 3.27Å
278	A	88.1	Confident	86.7	Confident	82 Å²	82	75.1 Å²	75.1	68%	0.678	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	8.8	178.8	0	0	0	0	0	114	R275 W276	R275-A278 PolarHBondContact O-N 3.04Å; W276-A278 PolarHBondContact O-N 2.92Å; W276-A278 VanDerWaalsContact O-N 3.1Å
279	L	88.2	Confident	86.2	Confident	49 Å²	49	74.8 Å²	74.8	26%	0.257	38%	0.381	S	S	.	.	S	Bend	trans	-91.3	147.3	178.2	-62.8	174	0	0	0	112.2	I45 W276 E281 Y284 A287	I45-L279 HydrophobicContact CD1-CD1 3.37Å; I45-L279 HydrophobicContact CG1-CD1 4.14Å; W276-L279 PolarHBondContact O-N 2.98Å; L279-E281 PolarHBondContact O-N 3.46Å; L279-Y284 HydrophobicContact CB-CD2 4.2Å; L279-Y284 HydrophobicContact CD1-CD2 4.23Å; L279-Y284 HydrophobicContact CD1-CG 4.17Å; L279-Y284 HydrophobicContact CD2-CD2 4.3Å; L279-Y284 HydrophobicContact CD2-CE2 4.34Å; L279-Y284 HydrophobicContact CG-CD2 4.48Å; L279-A287 HydrophobicContact CB-CB 4.16Å
280	E	87.4	Confident	85.8	Confident	127 Å²	127	79.9 Å²	79.9	59%	0.593	40%	0.403	S	S	*	.			trans	-73.7	116.5	172.6	-167.9	-177.2	156.5	0	0	110	K282 E283 Y284	E280-K282 HydrophobicContact CG-CB 3.99Å; E280-K282 PolarHBondContact O-N 2.97Å; E280-K282 WeakPolarHBondContact OE1-CB 3.29Å; E280-K282 WeakPolarHBondContact OE1-CD 3.37Å; E280-E283 PolarHBondContact O-N 3.08Å; E280-Y284 PolarHBondContact O-N 3.3Å
281	E	85.2	Confident	85.7	Confident	122 Å²	122	77.8 Å²	77.8	57%	0.57	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	-34.1	178.4	-170.4	-164	-172.8	0	0	112.8	L279 E283 Y284 P285	L279-E281 PolarHBondContact O-N 3.46Å; E281-E283 VanDerWaalsContact C-N 3.31Å; E281-E283 PolarHBondContact O-N 2.95Å; E281-Y284 CarbonylContact O-C 3.58Å; E281-Y284 PolarHBondContact O-N 3.13Å; E281-P285 WeakPolarHBondContact O-CA 3.31Å; E281-P285 VanDerWaalsContact O-N 3.11Å
282	K	86.3	Confident	85.7	Confident	183 Å²	183	74.9 Å²	74.9	80%	0.796	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-28.4	179.1	-169.8	-175.4	175.7	-171.4	0	113.8	E280	E280-K282 HydrophobicContact CG-CB 3.99Å; E280-K282 PolarHBondContact O-N 2.97Å; E280-K282 WeakPolarHBondContact OE1-CB 3.29Å; E280-K282 WeakPolarHBondContact OE1-CD 3.37Å
283	E	87.6	Confident	85.8	Confident	105 Å²	105	75 Å²	75	49%	0.491	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92	-33.3	170.2	-171.6	177.6	176.5	0	0	111.5	R44 E280 E281	R44-E283 IonicContact CZ-OE1 3.24Å; R44-E283 PolarHBondContact NH1-O 3.48Å; R44-E283 IonicContact NH2-OE1 3.76Å; R44-E283 PolarHBondContact NH2-OE1 3.29Å; E280-E283 PolarHBondContact O-N 3.08Å; E281-E283 VanDerWaalsContact C-N 3.31Å; E281-E283 PolarHBondContact O-N 2.95Å
284	Y	87.3	Confident	85.9	Confident	30 Å²	30	75 Å²	75	12%	0.118	37%	0.374	C	S	.	.	S	Bend	trans	-125.4	82.4	-176.3	-66.3	-83	0	0	0	110.8	R44 I45 L279 E280 E281 G286 A287	R44-Y284 HydrophobicContact CB-CE1 4.02Å; I45-Y284 HydrophobicContact CD1-CD1 4.03Å; I45-Y284 HydrophobicContact CD1-CE1 4.2Å; I45-Y284 HydrophobicContact CG1-CD1 4.01Å; I45-Y284 HydrophobicContact CG1-CE1 3.66Å; L279-Y284 HydrophobicContact CB-CD2 4.2Å; L279-Y284 HydrophobicContact CD1-CD2 4.23Å; L279-Y284 HydrophobicContact CD1-CG 4.17Å; L279-Y284 HydrophobicContact CD2-CD2 4.3Å; L279-Y284 HydrophobicContact CD2-CE2 4.34Å; L279-Y284 HydrophobicContact CG-CD2 4.48Å; E280-Y284 PolarHBondContact O-N 3.3Å; E281-Y284 CarbonylContact O-C 3.58Å; E281-Y284 PolarHBondContact O-N 3.13Å; Y284-G286 PolarHBondContact O-N 3.41Å; Y284-A287 WeakPolarHBondContact O-CB 3.46Å; Y284-A287 PolarHBondContact O-N 2.89Å; Y284-A287 VanDerWaalsContact O-N 3.17Å
285	P	86.3	Confident	86.2	Confident	56 Å²	56	69 Å²	69	36%	0.364	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	133.4	-177.1	21.3	-33.7	0	0	0	112.1	D37 S41 E281	D37-P285 HydrophobicContact CB-CB 4.27Å; D37-P285 HydrophobicContact CB-CG 4.03Å; S41-P285 WeakPolarHBondContact OG-CD 3.48Å; S41-P285 PolarHBondContact OG-O 3.31Å; E281-P285 WeakPolarHBondContact O-CA 3.31Å; E281-P285 VanDerWaalsContact O-N 3.11Å
286	G	79.5	Confident	86.4	Confident	23 Å²	23	63.3 Å²	63.3	24%	0.237	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	85	5.7	-177.2	0	0	0	0	0	115.6	Q38 Y284 S289	Q38-G286 PolarHBondContact NE2-O 2.95Å; Q38-G286 VanDerWaalsContact NE2-O 3.12Å; Y284-G286 PolarHBondContact O-N 3.41Å; G286-S289 PolarHBondContact O-N 2.97Å; G286-S289 PolarHBondContact O-OG 3.37Å
287	A	78.6	Confident	86.7	Confident	1 Å²	1	63.3 Å²	63.3	1%	0.008	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-27.6	178.1	0	0	0	0	0	114.8	W276 L279 Y284 S289	W276-A287 HydrophobicContact CZ2-CB 4.35Å; W276-A287 PolarHBondContact NE1-O 2.77Å; L279-A287 HydrophobicContact CB-CB 4.16Å; Y284-A287 WeakPolarHBondContact O-CB 3.46Å; Y284-A287 PolarHBondContact O-N 2.89Å; Y284-A287 VanDerWaalsContact O-N 3.17Å; A287-S289 PolarHBondContact O-N 3.04Å
288	D	73.2	Confident	87.1	Confident	144 Å²	144	57.9 Å²	57.9	77%	0.77	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-24.7	174	-177.3	64.1	0	0	0	112.8
289	S	77.9	Confident	87.5	Confident	57 Å²	57	54.7 Å²	54.7	40%	0.399	27%	0.27	S	S	.	.	S	Bend	trans	-93.6	148.5	175.3	70.7	0	0	0	0	111.9	Q38 W276 G286 A287	Q38-S289 PolarHBondContact NE2-OG 3.11Å; W276-S289 PolarHBondContact NE1-O 2.96Å; G286-S289 PolarHBondContact O-N 2.97Å; G286-S289 PolarHBondContact O-OG 3.37Å; A287-S289 PolarHBondContact O-N 3.04Å
290	K	83.3	Confident	87.8	Confident	109 Å²	109	52.4 Å²	52.4	47%	0.474	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-51.1	143.5	172.4	-70.2	-170.8	176.7	-173.7	0	111.2	Q38 V242 R292	Q38-K290 PolarHBondContact NE2-O 3.39Å; Q38-K290 VanDerWaalsContact NE2-O 3.14Å; V242-K290 HydrophobicContact CG1-CD 4.37Å; K290-R292 PolarHBondContact O-N 3.47Å
291	I	88.7	Confident	88.2	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.005	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-62.9	123.6	-179.9	-172.4	165.6	0	0	0	111.1	A42 F264 F272 W276 A296 L354	A42-I291 HydrophobicContact CB-CD1 4.4Å; F264-I291 HydrophobicContact CE1-CG2 4.46Å; F272-I291 HydrophobicContact CD1-CD1 4.45Å; F272-I291 HydrophobicContact CE1-CB 4.38Å; F272-I291 HydrophobicContact CE1-CD1 3.42Å; F272-I291 VanDerWaalsContact CE1-CD1 3.42Å; F272-I291 HydrophobicContact CE1-CG1 4.47Å; F272-I291 HydrophobicContact CE1-CG2 4.27Å; F272-I291 HydrophobicContact CZ-CD1 3.71Å; W276-I291 HydrophobicContact CE3-CD1 4.44Å; W276-I291 HydrophobicContact CZ3-CD1 4.42Å; I291-A296 HydrophobicContact CD1-CB 4.26Å; I291-A296 HydrophobicContact CG1-CB 4.39Å; I291-L354 HydrophobicContact CD1-CD1 4.15Å
292	R	90.3	Very high	88.7	Confident	86 Å²	86	40.6 Å²	40.6	33%	0.325	20%	0.202	S	C	.	.	P	Polyproline II helix	trans	-66.6	153.7	174.1	-67.8	168.6	168.2	-162.7	-8.8	111.1	Q38 E39 D243 K290 T294 S295 A296	Q38-R292 VanDerWaalsContact OE1-CB 3.28Å; Q38-R292 VanDerWaalsContact OE1-CG 3.25Å; E39-R292 IonicContact OE1-NH1 3.2Å; D243-R292 WeakPolarHBondContact OD2-CA 3.49Å; K290-R292 PolarHBondContact O-N 3.47Å; R292-T294 WeakPolarHBondContact CB-OG1 3.29Å; R292-T294 PolarHBondContact O-N 3.49Å; R292-S295 WeakPolarHBondContact O-CB 3.45Å; R292-S295 PolarHBondContact O-N 2.94Å; R292-A296 PolarHBondContact O-N 2.99Å
293	Y	91.9	Very high	89	Confident	21 Å²	21	33.4 Å²	33.4	8%	0.082	17%	0.172	C	C	.	.	H	α-helix	trans	-59.9	-31.7	175.5	83	-88	0	0	0	112.9	R128 L239 D243 A296 L297	R128-Y293 HydrophobicContact CG-CE2 4.5Å; R128-Y293 PolarHBondContact NH1-OH 3.49Å; R128-Y293 VanDerWaalsContact NH1-OH 3.09Å; L239-Y293 HydrophobicContact CB-CD2 3.81Å; L239-Y293 HydrophobicContact CB-CE2 4.08Å; L239-Y293 HydrophobicContact CB-CG 4.05Å; L239-Y293 HydrophobicContact CD1-CD2 4.43Å; L239-Y293 HydrophobicContact CD1-CE2 4.39Å; D243-Y293 WeakPolarHBondContact OD2-CD1 3.39Å; D243-Y293 PolarHBondContact OD2-N 3.16Å; Y293-A296 PolarHBondContact O-N 3.25Å; Y293-L297 HydrophobicContact CD2-CD1 4.09Å; Y293-L297 WeakPolarHBondContact O-CB 3.4Å; Y293-L297 VanDerWaalsContact O-CG 3.25Å; Y293-L297 WeakPolarHBondContact O-CG 3.29Å; Y293-L297 PolarHBondContact O-N 3.07Å
294	T	92.2	Very high	89.4	Confident	18 Å²	18	28.4 Å²	28.4	11%	0.11	15%	0.148	C	C	.	.	H	α-helix	trans	-63.5	-43.4	173.2	41.5	0	0	0	0	112.3	E39 R292 T298	E39-T294 WeakPolarHBondContact OE1-CB 3.35Å; E39-T294 PolarHBondContact OE1-OG1 3.45Å; R292-T294 WeakPolarHBondContact CB-OG1 3.29Å; R292-T294 PolarHBondContact O-N 3.49Å; T294-T298 WeakPolarHBondContact O-CB 3.49Å; T294-T298 PolarHBondContact O-N 3.22Å; T294-T298 PolarHBondContact O-OG1 3.3Å
295	S	92.8	Very high	89.7	Confident	0 Å²	0	27 Å²	27	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-68.6	-40.3	176.8	-59.5	0	0	0	0	111.7	Q38 E39 A42 R292 T298 Y299	Q38-S295 PolarHBondContact OE1-OG 3.44Å; E39-S295 PolarHBondContact N-OG 2.89Å; A42-S295 WeakPolarHBondContact CB-O 3.24Å; R292-S295 WeakPolarHBondContact O-CB 3.45Å; R292-S295 PolarHBondContact O-N 2.94Å; S295-T298 WeakPolarHBondContact O-CB 3.3Å; S295-T298 PolarHBondContact O-N 3.34Å; S295-T298 VanDerWaalsContact O-N 3.16Å; S295-Y299 PolarHBondContact O-N 3.18Å
296	A	93.8	Very high	90	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-62.7	-47.6	175	0	0	0	0	0	111.9	V262 I291 R292 Y293 T298 Y299 D300 L354	V262-A296 HydrophobicContact CG2-CB 3.47Å; V262-A296 VanDerWaalsContact CG2-CB 3.47Å; I291-A296 HydrophobicContact CD1-CB 4.26Å; I291-A296 HydrophobicContact CG1-CB 4.39Å; R292-A296 PolarHBondContact O-N 2.99Å; Y293-A296 PolarHBondContact O-N 3.25Å; A296-T298 PolarHBondContact O-N 2.76Å; A296-Y299 PolarHBondContact O-N 2.71Å; A296-D300 PolarHBondContact O-N 3.23Å; A296-L354 HydrophobicContact CB-CB 3.99Å; A296-L354 HydrophobicContact CB-CD1 4.07Å
297	L	95.4	Very high	90.6	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	13%	0.126	C	C	.	.	H	α-helix	trans	-62.6	-26.1	173.7	-69.1	176.8	0	0	0	113	P113 M127 R128 Y293 A301	P113-L297 HydrophobicContact CB-CB 3.81Å; P113-L297 HydrophobicContact CB-CD1 4.47Å; M127-L297 HydrophobicContact CB-CB 4.23Å; M127-L297 HydrophobicContact CB-CD2 4.26Å; M127-L297 WeakPolarHBondContact O-CD2 3.45Å; R128-L297 HydrophobicContact CB-CD1 4.03Å; R128-L297 HydrophobicContact CG-CD1 4.09Å; Y293-L297 HydrophobicContact CD2-CD1 4.09Å; Y293-L297 WeakPolarHBondContact O-CB 3.4Å; Y293-L297 VanDerWaalsContact O-CG 3.25Å; Y293-L297 WeakPolarHBondContact O-CG 3.29Å; Y293-L297 PolarHBondContact O-N 3.07Å; L297-A301 WeakPolarHBondContact O-CB 3.5Å; L297-A301 PolarHBondContact O-N 2.89Å
298	T	95.7	Very high	91.3	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-75.3	-39.5	175.4	-62.5	0	0	0	0	112.1	E39 F43 F88 T294 S295 A296 A301 V302	E39-T298 VanDerWaalsContact O-CG2 3.27Å; E39-T298 WeakPolarHBondContact O-CG2 3.39Å; F43-T298 HydrophobicContact CB-CG2 3.75Å; F43-T298 HydrophobicContact CD2-CG2 4.3Å; F88-T298 HydrophobicContact CE1-CG2 3.77Å; F88-T298 HydrophobicContact CZ-CG2 3.56Å; T294-T298 WeakPolarHBondContact O-CB 3.49Å; T294-T298 PolarHBondContact O-N 3.22Å; T294-T298 PolarHBondContact O-OG1 3.3Å; S295-T298 WeakPolarHBondContact O-CB 3.3Å; S295-T298 PolarHBondContact O-N 3.34Å; S295-T298 VanDerWaalsContact O-N 3.16Å; A296-T298 PolarHBondContact O-N 2.76Å; T298-A301 PolarHBondContact O-N 3.24Å; T298-V302 PolarHBondContact O-N 2.6Å
299	Y	94.9	Very high	92.1	Very high	16 Å²	16	19 Å²	19	6%	0.063	9%	0.09	C	C	.	.	H	α-helix	trans	-64.2	-47.1	171.5	171.3	-90.8	0	0	0	111.4	I45 Q49 F50 F272 S295 A296 A301 V302 Q303 L354	I45-Y299 HydrophobicContact CG2-CE2 4.33Å; Q49-Y299 HydrophobicContact CB-CE2 4.32Å; Q49-Y299 HydrophobicContact CG-CE2 4.39Å; Q49-Y299 WeakPolarHBondContact CG-OH 3.39Å; F50-Y299 HydrophobicContact CE2-CD1 4.24Å; F50-Y299 HydrophobicContact CE2-CD2 4.23Å; F50-Y299 AromaticContact CE2-CE1 3.81Å; F50-Y299 HydrophobicContact CE2-CE1 3.81Å; F50-Y299 AromaticContact CE2-CE2 3.78Å; F50-Y299 HydrophobicContact CE2-CE2 3.78Å; F50-Y299 HydrophobicContact CE2-CG 4.45Å; F50-Y299 AromaticContact CE2-CZ 3.57Å; F50-Y299 HydrophobicContact CZ-CD1 4.4Å; F50-Y299 AromaticContact CZ-CE1 3.6Å; F50-Y299 HydrophobicContact CZ-CE1 3.6Å; F50-Y299 HydrophobicContact CZ-CE2 4.13Å; F50-Y299 AromaticContact CZ-CZ 3.45Å; F50-Y299 VanDerWaalsContact CZ-CZ 3.45Å; F50-Y299 WeakPolarHBondContact CZ-OH 3.2Å; F272-Y299 HydrophobicContact CD2-CD2 4.45Å; F272-Y299 HydrophobicContact CD2-CE1 4.26Å; F272-Y299 AromaticContact CD2-CE2 3.95Å; F272-Y299 HydrophobicContact CD2-CE2 3.95Å; F272-Y299 AromaticContact CD2-CZ 3.82Å; F272-Y299 HydrophobicContact CE2-CD1 4.49Å; F272-Y299 AromaticContact CE2-CD2 3.66Å; F272-Y299 HydrophobicContact CE2-CD2 3.66Å; F272-Y299 HydrophobicContact CE2-CE1 4.35Å; F272-Y299 AromaticContact CE2-CE2 3.5Å; F272-Y299 HydrophobicContact CE2-CE2 3.5Å; F272-Y299 VanDerWaalsContact CE2-CE2 3.5Å; F272-Y299 HydrophobicContact CE2-CG 4.15Å; F272-Y299 AromaticContact CE2-CZ 3.85Å; F272-Y299 HydrophobicContact CZ-CD2 4.36Å; S295-Y299 PolarHBondContact O-N 3.18Å; A296-Y299 PolarHBondContact O-N 2.71Å; Y299-A301 VanDerWaalsContact C-N 3.27Å; Y299-A301 PolarHBondContact O-N 3.35Å; Y299-V302 PolarHBondContact O-N 3.32Å; Y299-V302 VanDerWaalsContact O-N 3.11Å; Y299-Q303 PolarHBondContact O-N 2.75Å; Y299-L354 HydrophobicContact CD1-CD1 3.41Å; Y299-L354 VanDerWaalsContact CD1-CD1 3.41Å; Y299-L354 HydrophobicContact CD1-CG 3.74Å; Y299-L354 HydrophobicContact CE1-CD1 3.93Å; Y299-L354 HydrophobicContact CE1-CG 3.92Å; Y299-L354 HydrophobicContact CG-CD1 3.95Å
300	D	95.6	Very high	92.7	Very high	0 Å²	0	19 Å²	19	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-59.8	-35.7	175.8	-74.9	0.7	0	0	0	112.2	A296 V302 Q303 V304 L354 S355 I358	A296-D300 PolarHBondContact O-N 3.23Å; D300-V302 VanDerWaalsContact C-N 3.3Å; D300-V302 PolarHBondContact O-N 2.89Å; D300-Q303 VanDerWaalsContact O-CB 3.3Å; D300-Q303 WeakPolarHBondContact O-CB 3.15Å; D300-Q303 PolarHBondContact O-N 2.62Å; D300-Q303 VanDerWaalsContact O-N 3.14Å; D300-V304 PolarHBondContact O-N 2.92Å; D300-L354 PolarHBondContact OD1-N 3.35Å; D300-L354 PolarHBondContact OD2-N 3.42Å; D300-S355 WeakPolarHBondContact OD2-CB 3.44Å; D300-S355 PolarHBondContact OD2-N 2.85Å; D300-S355 PolarHBondContact OD2-OG 3.11Å; D300-I358 HydrophobicContact CB-CD1 3.71Å
301	A	95.4	Very high	92.9	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-60.8	-37.8	175.7	0	0	0	0	0	112.8	F88 I111 M127 L297 T298 Y299 Q303 V304 M305	F88-A301 HydrophobicContact CD2-CB 3.84Å; F88-A301 HydrophobicContact CE2-CB 3.45Å; F88-A301 VanDerWaalsContact CE2-CB 3.45Å; F88-A301 HydrophobicContact CZ-CB 4.44Å; I111-A301 HydrophobicContact CG2-CB 3.99Å; M127-A301 HydrophobicContact CE-CB 4.05Å; M127-A301 HydrophobicContact CG-CB 4.05Å; M127-A301 HydrophobicContact SD-CB 4.37Å; L297-A301 WeakPolarHBondContact O-CB 3.5Å; L297-A301 PolarHBondContact O-N 2.89Å; T298-A301 PolarHBondContact O-N 3.24Å; Y299-A301 VanDerWaalsContact C-N 3.27Å; Y299-A301 PolarHBondContact O-N 3.35Å; A301-Q303 VanDerWaalsContact C-N 3.34Å; A301-V304 PolarHBondContact O-N 3.32Å; A301-M305 WeakPolarHBondContact O-CB 3.15Å; A301-M305 VanDerWaalsContact O-CG 3.29Å; A301-M305 WeakPolarHBondContact O-CG 3.41Å; A301-M305 PolarHBondContact O-N 2.87Å
302	V	94.9	Very high	92.9	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.006	7%	0.074	C	C	.	.	H	α-helix	trans	-68.3	-35.9	175.9	-176.3	0	0	0	0	111	F43 M47 F50 L57 T298 Y299 D300 T306	F43-V302 HydrophobicContact CD2-CG2 3.46Å; F43-V302 VanDerWaalsContact CD2-CG2 3.46Å; F43-V302 HydrophobicContact CE2-CG2 3.67Å; F43-V302 HydrophobicContact CG-CG2 4.25Å; M47-V302 HydrophobicContact CG-CG1 4.04Å; M47-V302 HydrophobicContact CG-CG2 4.38Å; M47-V302 HydrophobicContact SD-CG1 3.81Å; F50-V302 HydrophobicContact CD2-CB 4.43Å; F50-V302 HydrophobicContact CD2-CG1 4.3Å; L57-V302 HydrophobicContact CD1-CG1 4.43Å; T298-V302 PolarHBondContact O-N 2.6Å; Y299-V302 PolarHBondContact O-N 3.32Å; Y299-V302 VanDerWaalsContact O-N 3.11Å; D300-V302 VanDerWaalsContact C-N 3.3Å; D300-V302 PolarHBondContact O-N 2.89Å; V302-T306 VanDerWaalsContact O-CB 3.3Å; V302-T306 WeakPolarHBondContact O-CB 3.15Å; V302-T306 PolarHBondContact O-N 2.87Å; V302-T306 PolarHBondContact O-OG1 2.95Å
303	Q	94.5	Very high	92.6	Very high	32 Å²	32	17.5 Å²	17.5	15%	0.15	8%	0.077	C	C	.	.	H	α-helix	trans	-60.2	-49.3	173.3	-168.1	173.9	-31	0	0	111.1	F50 Y299 D300 A301 T306 E307 V351 D352	F50-Q303 HydrophobicContact CD1-CB 4.38Å; F50-Q303 HydrophobicContact CD1-CG 4.06Å; F50-Q303 HydrophobicContact CD2-CB 3.97Å; F50-Q303 HydrophobicContact CE1-CB 4.03Å; F50-Q303 HydrophobicContact CE1-CG 3.63Å; F50-Q303 HydrophobicContact CE2-CB 3.59Å; F50-Q303 HydrophobicContact CE2-CG 4.16Å; F50-Q303 HydrophobicContact CG-CB 4.36Å; F50-Q303 HydrophobicContact CG-CG 4.49Å; F50-Q303 HydrophobicContact CZ-CB 3.62Å; F50-Q303 HydrophobicContact CZ-CG 3.69Å; Y299-Q303 PolarHBondContact O-N 2.75Å; D300-Q303 VanDerWaalsContact O-CB 3.3Å; D300-Q303 WeakPolarHBondContact O-CB 3.15Å; D300-Q303 PolarHBondContact O-N 2.62Å; D300-Q303 VanDerWaalsContact O-N 3.14Å; A301-Q303 VanDerWaalsContact C-N 3.34Å; Q303-T306 PolarHBondContact O-N 3.3Å; Q303-E307 PolarHBondContact O-N 3.29Å; Q303-V351 HydrophobicContact CG-CG2 4.34Å; Q303-D352 PolarHBondContact NE2-O 2.87Å
304	V	95.1	Very high	92.3	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-63.7	-47	179.1	172.1	0	0	0	0	111.9	M127 D300 A301 T306 E307 A308 L346 V349 V351 I358 F360	M127-V304 HydrophobicContact CE-CB 3.84Å; M127-V304 HydrophobicContact CE-CG1 3.88Å; M127-V304 HydrophobicContact CE-CG2 4.03Å; M127-V304 HydrophobicContact SD-CG2 4.42Å; D300-V304 PolarHBondContact O-N 2.92Å; A301-V304 PolarHBondContact O-N 3.32Å; V304-T306 VanDerWaalsContact C-N 3.27Å; V304-T306 PolarHBondContact O-N 3.29Å; V304-E307 PolarHBondContact O-N 2.81Å; V304-A308 WeakPolarHBondContact O-CB 3.49Å; V304-A308 PolarHBondContact O-N 2.8Å; V304-L346 HydrophobicContact CG1-CD2 4.2Å; V304-V349 HydrophobicContact CB-CG1 4.43Å; V304-V349 HydrophobicContact CG1-CB 4.09Å; V304-V349 HydrophobicContact CG1-CG1 4.14Å; V304-V349 HydrophobicContact CG1-CG2 4.16Å; V304-V349 HydrophobicContact CG2-CG1 4.26Å; V304-V351 HydrophobicContact CG2-CG2 4.06Å; V304-I358 HydrophobicContact CG2-CD1 4.24Å; V304-I358 HydrophobicContact CG2-CG2 4.05Å; V304-F360 HydrophobicContact CG1-CE2 3.9Å; V304-F360 HydrophobicContact CG1-CZ 4.29Å; V304-F360 HydrophobicContact CG2-CE2 4.33Å; V304-F360 HydrophobicContact CG2-CZ 4.41Å
305	M	93.5	Very high	92	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-59.1	-40.6	176.1	-72.9	175.5	68.1	0	0	111.4	I28 A86 F88 I111 A301 F309 L346	I28-M305 HydrophobicContact CB-CE 4.15Å; I28-M305 HydrophobicContact CD1-CE 3.8Å; I28-M305 HydrophobicContact CG2-CE 3.92Å; A86-M305 HydrophobicContact CB-CE 4.03Å; F88-M305 HydrophobicContact CB-SD 4.1Å; I111-M305 HydrophobicContact CB-SD 4.32Å; I111-M305 HydrophobicContact CD1-CE 4.37Å; I111-M305 HydrophobicContact CD1-CG 4.19Å; I111-M305 HydrophobicContact CD1-SD 4.13Å; I111-M305 HydrophobicContact CG1-CG 4.05Å; I111-M305 HydrophobicContact CG1-SD 4.21Å; A301-M305 WeakPolarHBondContact O-CB 3.15Å; A301-M305 VanDerWaalsContact O-CG 3.29Å; A301-M305 WeakPolarHBondContact O-CG 3.41Å; A301-M305 PolarHBondContact O-N 2.87Å; M305-F309 WeakPolarHBondContact O-CD2 3.46Å; M305-F309 PolarHBondContact O-N 2.92Å; M305-L346 HydrophobicContact CG-CD2 4.39Å
306	T	92.9	Very high	91.4	Very high	4 Å²	4	37.1 Å²	37.1	3%	0.025	16%	0.156	C	C	.	.	H	α-helix	trans	-65.3	-48.8	178.6	-56.7	0	0	0	0	111.7	F50 T52 F55 V302 Q303 V304 A308 F309 R310	F50-T306 HydrophobicContact CB-CG2 4.23Å; F50-T306 WeakPolarHBondContact O-CG2 3.36Å; T52-T306 HydrophobicContact CG2-CG2 4.3Å; F55-T306 HydrophobicContact CE2-CG2 4.4Å; F55-T306 HydrophobicContact CZ-CG2 4Å; F55-T306 WeakPolarHBondContact CZ-O 3.49Å; V302-T306 VanDerWaalsContact O-CB 3.3Å; V302-T306 WeakPolarHBondContact O-CB 3.15Å; V302-T306 PolarHBondContact O-N 2.87Å; V302-T306 PolarHBondContact O-OG1 2.95Å; Q303-T306 PolarHBondContact O-N 3.3Å; V304-T306 VanDerWaalsContact C-N 3.27Å; V304-T306 PolarHBondContact O-N 3.29Å; T306-A308 VanDerWaalsContact C-N 3.32Å; T306-A308 PolarHBondContact O-N 3.39Å; T306-F309 PolarHBondContact O-N 2.61Å; T306-R310 VanDerWaalsContact O-CB 3.3Å; T306-R310 WeakPolarHBondContact O-CB 3.48Å; T306-R310 PolarHBondContact O-N 3Å
307	E	92.4	Very high	90.7	Very high	46 Å²	46	39.1 Å²	39.1	22%	0.215	17%	0.168	C	C	.	.	H	α-helix	trans	-67.8	-32	179.9	-165.8	60.6	-137.5	0	0	112.1	Q303 V304 R310 Y311 K314 V349	Q303-E307 PolarHBondContact O-N 3.29Å; V304-E307 PolarHBondContact O-N 2.81Å; E307-R310 PolarHBondContact O-N 3.21Å; E307-R310 WeakPolarHBondContact OE2-CD 3.46Å; E307-R310 IonicContact OE2-CZ 2.68Å; E307-R310 IonicContact OE2-NE 2.74Å; E307-R310 IonicContact OE2-NH1 3.07Å; E307-R310 PolarHBondContact OE2-NH1 3.14Å; E307-Y311 VanDerWaalsContact O-CB 3.29Å; E307-Y311 WeakPolarHBondContact O-CB 3.29Å; E307-Y311 PolarHBondContact O-N 2.93Å; E307-K314 IonicContact OE1-NZ 3.28Å; E307-K314 PolarHBondContact OE1-NZ 3.2Å; E307-V349 HydrophobicContact CB-CG1 4.27Å
308	A	92.3	Very high	89.7	Confident	2 Å²	2	42.7 Å²	42.7	2%	0.017	19%	0.188	C	C	.	.	H	α-helix	trans	-61.9	-46.6	174.2	0	0	0	0	0	112.6	V304 T306 Y311 L312 A345 L346 V349	V304-A308 WeakPolarHBondContact O-CB 3.49Å; V304-A308 PolarHBondContact O-N 2.8Å; T306-A308 VanDerWaalsContact C-N 3.32Å; T306-A308 PolarHBondContact O-N 3.39Å; A308-Y311 PolarHBondContact O-N 3.45Å; A308-L312 WeakPolarHBondContact O-CG 3.41Å; A308-L312 PolarHBondContact O-N 3.49Å; A308-L312 VanDerWaalsContact O-N 3.08Å; A308-A345 HydrophobicContact CB-CB 4.36Å; A308-L346 HydrophobicContact CB-CD2 3.62Å; A308-L346 HydrophobicContact CB-CG 3.9Å; A308-V349 HydrophobicContact CB-CG2 3.86Å
309	F	90.3	Very high	88.7	Confident	3 Å²	3	43.9 Å²	43.9	1%	0.013	19%	0.193	C	C	.	.	H	α-helix	trans	-68.7	-34.6	174.8	-72.5	-62.3	0	0	0	112.4	V26 I28 F55 L57 A86 M305 T306 Y311 L312 H313 I342	V26-F309 HydrophobicContact CG1-CD1 4.07Å; V26-F309 HydrophobicContact CG1-CD2 4.14Å; V26-F309 HydrophobicContact CG1-CE1 3.84Å; V26-F309 HydrophobicContact CG1-CE2 3.91Å; V26-F309 HydrophobicContact CG1-CG 4.23Å; V26-F309 HydrophobicContact CG1-CZ 3.76Å; I28-F309 HydrophobicContact CG2-CE2 4.32Å; F55-F309 HydrophobicContact CD2-CB 4.32Å; F55-F309 HydrophobicContact CE2-CB 3.71Å; F55-F309 HydrophobicContact CZ-CB 3.91Å; L57-F309 HydrophobicContact CD2-CD2 3.8Å; L57-F309 HydrophobicContact CD2-CE2 4.17Å; A86-F309 HydrophobicContact CB-CE2 4.45Å; A86-F309 HydrophobicContact CB-CZ 4.17Å; M305-F309 WeakPolarHBondContact O-CD2 3.46Å; M305-F309 PolarHBondContact O-N 2.92Å; T306-F309 PolarHBondContact O-N 2.61Å; F309-Y311 VanDerWaalsContact C-N 3.34Å; F309-Y311 PolarHBondContact O-N 2.64Å; F309-L312 HydrophobicContact CD1-CD1 4.16Å; F309-L312 PolarHBondContact O-N 2.9Å; F309-H313 WeakPolarHBondContact O-CB 3.35Å; F309-H313 PolarHBondContact O-N 3.27Å; F309-I342 HydrophobicContact CE1-CD1 4.36Å; F309-I342 HydrophobicContact CE1-CG1 4.46Å; F309-I342 HydrophobicContact CE1-CG2 4.5Å
310	R	89.8	Confident	87.7	Confident	58 Å²	58	46.8 Å²	46.8	22%	0.219	21%	0.212	C	C	.	.	H	α-helix	trans	-62.9	-39.7	173.2	-164.5	-178.8	-68.4	148.8	-4.5	111.7	F55 T306 E307 H313 K314	F55-R310 HydrophobicContact CE1-CB 3.83Å; F55-R310 HydrophobicContact CE1-CG 4.22Å; F55-R310 HydrophobicContact CZ-CB 4.02Å; T306-R310 VanDerWaalsContact O-CB 3.3Å; T306-R310 WeakPolarHBondContact O-CB 3.48Å; T306-R310 PolarHBondContact O-N 3Å; E307-R310 PolarHBondContact O-N 3.21Å; E307-R310 WeakPolarHBondContact OE2-CD 3.46Å; E307-R310 IonicContact OE2-CZ 2.68Å; E307-R310 IonicContact OE2-NE 2.74Å; E307-R310 IonicContact OE2-NH1 3.07Å; E307-R310 PolarHBondContact OE2-NH1 3.14Å; R310-H313 PolarHBondContact O-N 3.32Å; R310-K314 HydrophobicContact CG-CD 4.36Å; R310-K314 WeakPolarHBondContact O-CB 3.44Å; R310-K314 WeakPolarHBondContact O-CD 3.26Å; R310-K314 WeakPolarHBondContact O-CG 3.29Å; R310-K314 PolarHBondContact O-N 2.86Å
311	Y	89.1	Confident	86.5	Confident	81 Å²	81	49.2 Å²	49.2	32%	0.318	22%	0.222	S	C	.	.	H	α-helix	trans	-64.7	-48.2	175.3	179.9	-103.5	0	0	0	112	E307 A308 F309 H313 K314 Q315 A345 Q348	E307-Y311 VanDerWaalsContact O-CB 3.29Å; E307-Y311 WeakPolarHBondContact O-CB 3.29Å; E307-Y311 PolarHBondContact O-N 2.93Å; A308-Y311 PolarHBondContact O-N 3.45Å; F309-Y311 VanDerWaalsContact C-N 3.34Å; F309-Y311 PolarHBondContact O-N 2.64Å; Y311-H313 VanDerWaalsContact C-N 3.31Å; Y311-H313 PolarHBondContact O-N 2.8Å; Y311-K314 PolarHBondContact O-N 2.88Å; Y311-Q315 PolarHBondContact O-N 3.09Å; Y311-Q315 PolarHBondContact OH-NE2 3.39Å; Y311-A345 HydrophobicContact CD1-CB 4.01Å; Y311-Q348 PolarHBondContact OH-OE1 3.29Å; Y311-Q348 VanDerWaalsContact OH-OE1 3.04Å
312	L	87.8	Confident	84.9	Confident	2 Å²	2	59.2 Å²	59.2	1%	0.01	26%	0.259	C	S	.	.	H	α-helix	trans	-59	-41	174.9	-70.8	166.6	0	0	0	112.3	A308 F309 Q315 R316 V317 F319 E341 I342 A345	A308-L312 WeakPolarHBondContact O-CG 3.41Å; A308-L312 PolarHBondContact O-N 3.49Å; A308-L312 VanDerWaalsContact O-N 3.08Å; F309-L312 HydrophobicContact CD1-CD1 4.16Å; F309-L312 PolarHBondContact O-N 2.9Å; L312-Q315 PolarHBondContact O-N 3.39Å; L312-R316 PolarHBondContact O-N 2.93Å; L312-R316 VanDerWaalsContact O-N 3.15Å; L312-V317 HydrophobicContact CD2-CB 4.21Å; L312-V317 HydrophobicContact CD2-CG1 4.36Å; L312-V317 HydrophobicContact CD2-CG2 4.19Å; L312-V317 PolarHBondContact O-N 3.48Å; L312-V317 VanDerWaalsContact O-N 3.15Å; L312-F319 HydrophobicContact CB-CD1 4.22Å; L312-F319 HydrophobicContact CB-CE1 4.24Å; L312-E341 HydrophobicContact CD2-CB 4.47Å; L312-I342 HydrophobicContact CD1-CB 4.47Å; L312-I342 HydrophobicContact CD1-CG1 3.69Å; L312-A345 HydrophobicContact CD1-CB 4.02Å; L312-A345 HydrophobicContact CD2-CB 3.93Å; L312-A345 HydrophobicContact CG-CB 3.75Å
313	H	84.9	Confident	83.1	Confident	81 Å²	81	62.8 Å²	62.8	38%	0.375	29%	0.289	S	S	.	.	H	α-helix	trans	-66.1	-45.9	176.6	-166.5	70.6	0	0	0	112	F309 R310 Y311 Q315 R316	F309-H313 WeakPolarHBondContact O-CB 3.35Å; F309-H313 PolarHBondContact O-N 3.27Å; R310-H313 PolarHBondContact O-N 3.32Å; Y311-H313 VanDerWaalsContact C-N 3.31Å; Y311-H313 PolarHBondContact O-N 2.8Å; H313-Q315 VanDerWaalsContact C-N 3.28Å; H313-Q315 PolarHBondContact O-N 3.44Å; H313-R316 PolarHBondContact O-N 3.44Å
314	K	85.4	Confident	81.6	Confident	124 Å²	124	69 Å²	69	54%	0.539	32%	0.323	S	S	.	.	H	α-helix	trans	-57.3	-38.8	173	-73.7	162.5	179.6	166.2	0	112.2	E307 R310 Y311 R316	E307-K314 IonicContact OE1-NZ 3.28Å; E307-K314 PolarHBondContact OE1-NZ 3.2Å; R310-K314 HydrophobicContact CG-CD 4.36Å; R310-K314 WeakPolarHBondContact O-CB 3.44Å; R310-K314 WeakPolarHBondContact O-CD 3.26Å; R310-K314 WeakPolarHBondContact O-CG 3.29Å; R310-K314 PolarHBondContact O-N 2.86Å; Y311-K314 PolarHBondContact O-N 2.88Å; K314-R316 VanDerWaalsContact C-N 3.25Å; K314-R316 PolarHBondContact O-N 3.08Å
315	Q	84.5	Confident	80.1	Confident	100 Å²	100	70.5 Å²	70.5	47%	0.467	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-5	175.7	-72.6	-169.3	-19.7	0	0	114.4	Y311 L312 H313 V317	Y311-Q315 PolarHBondContact O-N 3.09Å; Y311-Q315 PolarHBondContact OH-NE2 3.39Å; L312-Q315 PolarHBondContact O-N 3.39Å; H313-Q315 VanDerWaalsContact C-N 3.28Å; H313-Q315 PolarHBondContact O-N 3.44Å; Q315-V317 HydrophobicContact CB-CG2 3.99Å; Q315-V317 PolarHBondContact O-N 3.48Å
316	R	80.5	Confident	79.2	Confident	227 Å²	227	72.8 Å²	72.8	86%	0.857	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.7	32	-177.5	-54.5	-179	177.2	-176.9	-1.8	113.8	L312 H313 K314 D318	L312-R316 PolarHBondContact O-N 2.93Å; L312-R316 VanDerWaalsContact O-N 3.15Å; H313-R316 PolarHBondContact O-N 3.44Å; K314-R316 VanDerWaalsContact C-N 3.25Å; K314-R316 PolarHBondContact O-N 3.08Å; R316-D318 PolarHBondContact O-N 3.29Å
317	V	78.9	Confident	78.7	Confident	42 Å²	42	76.7 Å²	76.7	26%	0.255	38%	0.377	S	S	.	.			trans	-70.6	119	173.3	179.9	0	0	0	0	108.6	L312 Q315 F319	L312-V317 HydrophobicContact CD2-CB 4.21Å; L312-V317 HydrophobicContact CD2-CG1 4.36Å; L312-V317 HydrophobicContact CD2-CG2 4.19Å; L312-V317 PolarHBondContact O-N 3.48Å; L312-V317 VanDerWaalsContact O-N 3.15Å; Q315-V317 HydrophobicContact CB-CG2 3.99Å; Q315-V317 PolarHBondContact O-N 3.48Å; V317-F319 VanDerWaalsContact O-CD1 3.3Å; V317-F319 WeakPolarHBondContact O-CD1 3.39Å; V317-F319 PolarHBondContact O-N 3.46Å
318	D	75.6	Confident	78.3	Confident	76 Å²	76	74.9 Å²	74.9	41%	0.406	37%	0.369	S	S	.	.			trans	-74.8	95	172.2	-179.8	17.8	0	0	0	110.2	R316 T320 R322	R316-D318 PolarHBondContact O-N 3.29Å; D318-T320 VanDerWaalsContact OD1-CB 3.28Å; D318-T320 WeakPolarHBondContact OD1-CB 3.29Å; D318-T320 WeakPolarHBondContact OD1-CG2 3.43Å; D318-T320 PolarHBondContact OD1-N 3.18Å; D318-T320 PolarHBondContact OD1-OG1 2.83Å; D318-R322 IonicContact OD2-CZ 2.65Å; D318-R322 IonicContact OD2-NE 3.64Å; D318-R322 IonicContact OD2-NH2 2.65Å; D318-R322 PolarHBondContact OD2-NH2 2.74Å
319	F	74.6	Confident	78.1	Confident	26 Å²	26	80.5 Å²	80.5	11%	0.114	40%	0.398	C	S	.	.			trans	-91.3	7.5	172.8	59.7	-97.6	0	0	0	113.4	V26 Y85 L312 V317 R321	V26-F319 HydrophobicContact CG2-CE2 4.15Å; V26-F319 HydrophobicContact CG2-CZ 4.37Å; Y85-F319 HydrophobicContact CD1-CD2 4.16Å; Y85-F319 AromaticContact CE1-CD2 3.95Å; Y85-F319 HydrophobicContact CE1-CD2 3.95Å; Y85-F319 VanDerWaalsContact CE1-O 3.27Å; Y85-F319 WeakPolarHBondContact CE1-O 3.27Å; L312-F319 HydrophobicContact CB-CD1 4.22Å; L312-F319 HydrophobicContact CB-CE1 4.24Å; V317-F319 VanDerWaalsContact O-CD1 3.3Å; V317-F319 WeakPolarHBondContact O-CD1 3.39Å; V317-F319 PolarHBondContact O-N 3.46Å; F319-R321 PolarHBondContact O-N 2.83Å
320	T	74.7	Confident	77.8	Confident	77 Å²	77	82.5 Å²	82.5	47%	0.472	42%	0.416	S	S	.	.			trans	-63.6	129.5	-175.7	61.5	0	0	0	0	112.5	D318 R322	D318-T320 VanDerWaalsContact OD1-CB 3.28Å; D318-T320 WeakPolarHBondContact OD1-CB 3.29Å; D318-T320 WeakPolarHBondContact OD1-CG2 3.43Å; D318-T320 PolarHBondContact OD1-N 3.18Å; D318-T320 PolarHBondContact OD1-OG1 2.83Å; T320-R322 PolarHBondContact O-N 2.84Å
321	R	70.1	Confident	77.5	Confident	51 Å²	51	87.3 Å²	87.3	19%	0.192	45%	0.446	C	S	.	.			trans	-84.6	110.8	-176.1	-149.1	171.8	-159.6	147.5	3.5	110.5	G83 V84 Y85 F319 A323 T325	G83-R321 WeakPolarHBondContact O-CD 3.44Å; G83-R321 PolarHBondContact O-NH1 2.88Å; V84-R321 PolarHBondContact O-NH1 3.3Å; Y85-R321 HydrophobicContact CE1-CB 4.24Å; Y85-R321 PolarHBondContact OH-N 3.48Å; F319-R321 PolarHBondContact O-N 2.83Å; R321-A323 PolarHBondContact O-N 3.2Å; R321-T325 VanDerWaalsContact CZ-CG2 3.41Å
322	R	60.2	Low	77	Confident	209 Å²	209	88.8 Å²	88.8	79%	0.789	47%	0.465	S	S	*	.			trans	-88.1	4.3	-166.7	-57.7	-173.7	-177.3	-177.6	0.4	115.8	D318 T320	D318-R322 IonicContact OD2-CZ 2.65Å; D318-R322 IonicContact OD2-NE 3.64Å; D318-R322 IonicContact OD2-NH2 2.65Å; D318-R322 PolarHBondContact OD2-NH2 2.74Å; T320-R322 PolarHBondContact O-N 2.84Å
323	A	57.5	Low	76.7	Confident	77 Å²	77	90.2 Å²	90.2	64%	0.636	48%	0.477	S	S	*	.	S	Bend	trans	-158.7	161	177.3	0	0	0	0	0	111.7	R321	R321-A323 PolarHBondContact O-N 3.2Å
324	N	64.6	Low	76.5	Confident	161 Å²	161	92.1 Å²	92.1	86%	0.861	49%	0.494	S	S	*	.			trans	-61.7	141.5	164.5	-73.7	1.3	0	0	0	109.9	G326	N324-G326 VanDerWaalsContact C-N 3.34Å; N324-G326 PolarHBondContact O-N 3.44Å
325	T	63.6	Low	76.2	Confident	32 Å²	32	89.1 Å²	89.1	20%	0.196	49%	0.488	C	S	.	.			trans	-77.9	-9.4	-169.1	31.7	0	0	0	0	115.7	F80 S81 R321	F80-T325 HydrophobicContact CZ-CG2 4.45Å; F80-T325 WeakPolarHBondContact O-CB 3.11Å; F80-T325 PolarHBondContact O-OG1 3.4Å; S81-T325 VanDerWaalsContact CA-OG1 3.31Å; S81-T325 WeakPolarHBondContact CA-OG1 3.17Å; S81-T325 PolarHBondContact O-OG1 3.12Å; R321-T325 VanDerWaalsContact CZ-CG2 3.41Å
326	G	74.1	Confident	75.9	Confident	49 Å²	49	85.1 Å²	85.1	51%	0.505	47%	0.468	S	S	.	.			trans	74	-154.4	-173.2	0	0	0	0	0	112.3	S81 N324	S81-G326 PolarHBondContact OG-O 3.31Å; N324-G326 VanDerWaalsContact C-N 3.34Å; N324-G326 PolarHBondContact O-N 3.44Å
327	D	82.2	Confident	75.6	Confident	86 Å²	86	77.8 Å²	77.8	46%	0.46	46%	0.456	S	S	.	.			trans	-90.1	144.9	177.1	-169.8	-12.1	0	0	0	109.9	L329 A330	D327-L329 PolarHBondContact O-N 3.02Å; D327-L329 PolarHBondContact OD1-N 3.16Å; D327-A330 WeakPolarHBondContact O-CB 3.4Å; D327-A330 PolarHBondContact O-N 2.91Å
328	C	84.6	Confident	75.7	Confident	8 Å²	8	79 Å²	79	5%	0.054	46%	0.459	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-22.9	169.1	66.7	0	0	0	0	112.2	C77 F80 L106	C77-C328 HydrophobicContact CB-CB 3.79Å; C77-C328 WeakPolarHBondContact CB-SG 3.37Å; C77-C328 WeakPolarHBondContact SG-CB 3.15Å; C77-C328 CovalentContact SG-SG 2.02Å; C77-C328 PolarHBondContact SG-SG 3.5Å; F80-C328 HydrophobicContact CD1-CB 4.11Å; L106-C328 HydrophobicContact CD1-CB 4.25Å
329	L	87	Confident	76.2	Confident	120 Å²	120	75.4 Å²	75.4	63%	0.628	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	12.5	177.6	-54.1	-176.3	0	0	0	113.8	D327 N331	D327-L329 PolarHBondContact O-N 3.02Å; D327-L329 PolarHBondContact OD1-N 3.16Å; L329-N331 PolarHBondContact O-N 3.3Å
330	A	84.7	Confident	76.9	Confident	45 Å²	45	76.8 Å²	76.8	37%	0.372	45%	0.45	S	S	.	.			trans	-54.3	138.5	173.9	0	0	0	0	0	111.4	D327 P332 A333	D327-A330 WeakPolarHBondContact O-CB 3.4Å; D327-A330 PolarHBondContact O-N 2.91Å; A330-P332 CarbonylContact O-C 3.4Å; A330-A333 VanDerWaalsContact O-CA 3.28Å; A330-A333 WeakPolarHBondContact O-CA 3.46Å; A330-A333 WeakPolarHBondContact O-CB 3.23Å; A330-A333 PolarHBondContact O-N 2.93Å
331	N	83.8	Confident	77.6	Confident	160 Å²	160	76.1 Å²	76.1	86%	0.856	44%	0.442	S	S	*	.	S	Bend	trans	-133.8	112.1	-175.3	-171.8	5.6	0	0	0	111.3	L329	L329-N331 PolarHBondContact O-N 3.3Å
332	P	78.9	Confident	78.6	Confident	112 Å²	112	73.8 Å²	73.8	73%	0.727	43%	0.433	S	S	*	.	S	Bend	cis	-67.6	144	-6.8	30	-35.2	0	0	0	111.6	A330	A330-P332 CarbonylContact O-C 3.4Å
333	A	80.6	Confident	80.1	Confident	31 Å²	31	64.7 Å²	64.7	26%	0.256	40%	0.399	S	S	.	.			trans	-69.5	135.6	172.8	0	0	0	0	0	109.5	T105 L106 A330 P335	T105-A333 HydrophobicContact CG2-CB 4.42Å; L106-A333 HydrophobicContact CD2-CB 3.81Å; A330-A333 VanDerWaalsContact O-CA 3.28Å; A330-A333 WeakPolarHBondContact O-CA 3.46Å; A330-A333 WeakPolarHBondContact O-CB 3.23Å; A330-A333 PolarHBondContact O-N 2.93Å; A333-P335 WeakPolarHBondContact O-CD 3.28Å
334	V	80.2	Confident	81.7	Confident	121 Å²	121	66 Å²	66	73%	0.733	39%	0.388	S	S	*	.			trans	-90.3	112.5	176.5	-179.8	0	0	0	0	108.6
335	P	80.2	Confident	83	Confident	62 Å²	62	58.4 Å²	58.4	40%	0.403	35%	0.348	S	S	.	.			trans	-65.8	146.8	179.8	-19.4	33.3	0	0	0	111.2	H107 A333 A337	H107-P335 HydrophobicContact CB-CB 4.39Å; A333-P335 WeakPolarHBondContact O-CD 3.28Å; P335-A337 PolarHBondContact O-N 2.75Å
336	W	77.2	Confident	84.4	Confident	15 Å²	15	57 Å²	57	6%	0.057	34%	0.339	C	S	.	.			trans	-79.5	105.4	-179.6	179	26.6	0	0	0	111.8	Y85 L106 Q338 G339 I342	Y85-W336 VanDerWaalsContact CA-CH2 3.48Å; Y85-W336 AromaticContact CD1-CH2 3.63Å; Y85-W336 HydrophobicContact CD1-CH2 3.63Å; Y85-W336 AromaticContact CD1-CZ2 3.66Å; Y85-W336 HydrophobicContact CD1-CZ2 3.66Å; Y85-W336 HydrophobicContact CE1-CZ2 4.19Å; Y85-W336 HydrophobicContact CG-CH2 4.27Å; Y85-W336 VanDerWaalsContact O-CH2 3.28Å; Y85-W336 WeakPolarHBondContact O-CH2 3.48Å; Y85-W336 WeakPolarHBondContact O-CZ3 3.32Å; L106-W336 PolarHBondContact O-N 2.93Å; W336-Q338 VanDerWaalsContact C-N 3.34Å; W336-Q338 VanDerWaalsContact CD1-OE1 3.23Å; W336-Q338 HydrophobicContact CZ2-CB 4.28Å; W336-Q338 PolarHBondContact O-N 2.95Å; W336-G339 PolarHBondContact O-N 2.94Å; W336-I342 HydrophobicContact CH2-CD1 3.21Å; W336-I342 HydrophobicContact CZ2-CD1 3.61Å; W336-I342 HydrophobicContact CZ3-CD1 4.09Å
337	A	74.2	Confident	85.3	Confident	73 Å²	73	56.3 Å²	56.3	60%	0.603	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-41.5	-174.1	0	0	0	0	0	114.8	P335 G339	P335-A337 PolarHBondContact O-N 2.75Å; A337-G339 VanDerWaalsContact C-N 3.29Å; A337-G339 PolarHBondContact O-N 3.17Å
338	Q	82	Confident	85.8	Confident	69 Å²	69	57.3 Å²	57.3	32%	0.322	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-10.2	179.1	-60.2	79.2	9.3	0	0	113.4	W336 V340 E341 I342	W336-Q338 VanDerWaalsContact C-N 3.34Å; W336-Q338 VanDerWaalsContact CD1-OE1 3.23Å; W336-Q338 HydrophobicContact CZ2-CB 4.28Å; W336-Q338 PolarHBondContact O-N 2.95Å; Q338-V340 PolarHBondContact O-N 3.2Å; Q338-E341 WeakPolarHBondContact O-CB 3.37Å; Q338-E341 PolarHBondContact O-N 2.94Å; Q338-E341 VanDerWaalsContact O-N 3.13Å; Q338-I342 PolarHBondContact O-N 2.59Å; Q338-I342 VanDerWaalsContact O-N 3.15Å
339	G	85.5	Confident	86.2	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-60.9	-31.3	175.7	0	0	0	0	0	113.1	H107 W336 A337 I342 E343	H107-G339 WeakPolarHBondContact O-CA 3.49Å; W336-G339 PolarHBondContact O-N 2.94Å; A337-G339 VanDerWaalsContact C-N 3.29Å; A337-G339 PolarHBondContact O-N 3.17Å; G339-I342 PolarHBondContact O-N 3.2Å; G339-E343 WeakPolarHBondContact O-CB 3.46Å; G339-E343 PolarHBondContact O-N 3.11Å
340	V	89.2	Confident	86.6	Confident	54 Å²	54	56.4 Å²	56.4	33%	0.327	32%	0.32	S	S	.	.	H	α-helix	trans	-66.5	-37.4	175.1	-172	0	0	0	0	111.9	F123 Q338 R344	F123-V340 HydrophobicContact CE1-CG2 4.38Å; F123-V340 HydrophobicContact CZ-CG2 4.16Å; Q338-V340 PolarHBondContact O-N 3.2Å; V340-R344 WeakPolarHBondContact O-CB 3.41Å; V340-R344 PolarHBondContact O-N 3.4Å
341	E	89.1	Confident	87	Confident	63 Å²	63	55.4 Å²	55.4	29%	0.294	31%	0.309	S	S	.	.	H	α-helix	trans	-70.2	-38.8	176.5	-61.4	-58.5	128.5	0	0	111.1	L312 Q338 R344 A345	L312-E341 HydrophobicContact CD2-CB 4.47Å; Q338-E341 WeakPolarHBondContact O-CB 3.37Å; Q338-E341 PolarHBondContact O-N 2.94Å; Q338-E341 VanDerWaalsContact O-N 3.13Å; E341-R344 PolarHBondContact O-N 2.71Å; E341-R344 IonicContact OE1-CZ 3.54Å; E341-R344 VanDerWaalsContact OE1-CZ 3.24Å; E341-R344 IonicContact OE1-NH1 2.68Å; E341-R344 PolarHBondContact OE1-NH1 2.78Å; E341-R344 IonicContact OE1-NH2 4Å; E341-R344 PolarHBondContact OE1-NH2 3.37Å; E341-R344 IonicContact OE2-CZ 3.8Å; E341-R344 IonicContact OE2-NH1 3.74Å; E341-R344 PolarHBondContact OE2-NH1 3.46Å; E341-R344 IonicContact OE2-NH2 2.82Å; E341-A345 WeakPolarHBondContact O-CB 3.44Å; E341-A345 PolarHBondContact O-N 2.93Å
342	I	90.6	Very high	87.4	Confident	2 Å²	2	52.2 Å²	52.2	1%	0.01	29%	0.292	C	S	.	.	H	α-helix	trans	-68.1	-42.3	176.7	-67.8	163.8	0	0	0	111.2	F309 L312 W336 Q338 G339 R344 A345 L346	F309-I342 HydrophobicContact CE1-CD1 4.36Å; F309-I342 HydrophobicContact CE1-CG1 4.46Å; F309-I342 HydrophobicContact CE1-CG2 4.5Å; L312-I342 HydrophobicContact CD1-CB 4.47Å; L312-I342 HydrophobicContact CD1-CG1 3.69Å; W336-I342 HydrophobicContact CH2-CD1 3.21Å; W336-I342 HydrophobicContact CZ2-CD1 3.61Å; W336-I342 HydrophobicContact CZ3-CD1 4.09Å; Q338-I342 PolarHBondContact O-N 2.59Å; Q338-I342 VanDerWaalsContact O-N 3.15Å; G339-I342 PolarHBondContact O-N 3.2Å; I342-R344 VanDerWaalsContact C-N 3.32Å; I342-R344 PolarHBondContact O-N 2.69Å; I342-A345 PolarHBondContact O-N 3.24Å; I342-L346 HydrophobicContact CG2-CD1 3.96Å; I342-L346 WeakPolarHBondContact O-CB 3.08Å; I342-L346 WeakPolarHBondContact O-CG 3.46Å; I342-L346 PolarHBondContact O-N 2.76Å
343	E	92.2	Very high	88	Confident	18 Å²	18	46.9 Å²	46.9	8%	0.084	26%	0.257	C	S	.	.	H	α-helix	trans	-61	-42.3	174.2	-163.1	-149.7	-157.1	0	0	111.3	F123 G339 L346 K347	F123-E343 WeakPolarHBondContact CA-OE1 3.32Å; F123-E343 HydrophobicContact CD1-CB 3.96Å; F123-E343 HydrophobicContact CD1-CG 4.11Å; F123-E343 HydrophobicContact CE1-CB 4.1Å; F123-E343 PolarHBondContact N-OE1 3.17Å; G339-E343 WeakPolarHBondContact O-CB 3.46Å; G339-E343 PolarHBondContact O-N 3.11Å; E343-L346 PolarHBondContact O-N 3.22Å; E343-K347 VanDerWaalsContact CD-CE 3.47Å; E343-K347 HydrophobicContact CG-CD 4.46Å; E343-K347 WeakPolarHBondContact O-CG 3.17Å; E343-K347 PolarHBondContact O-N 3.33Å; E343-K347 VanDerWaalsContact OE1-CE 3.28Å; E343-K347 WeakPolarHBondContact OE1-CE 3.49Å; E343-K347 IonicContact OE1-NZ 3.82Å; E343-K347 PolarHBondContact OE1-NZ 3.09Å; E343-K347 IonicContact OE2-NZ 2.67Å; E343-K347 PolarHBondContact OE2-NZ 3Å
344	R	91.5	Very high	88.5	Confident	104 Å²	104	45.5 Å²	45.5	39%	0.392	25%	0.245	S	C	.	.	H	α-helix	trans	-64.9	-43.7	176.8	-164	-172.6	-51.6	128.6	15.7	111.9	V340 E341 I342 K347 Q348	V340-R344 WeakPolarHBondContact O-CB 3.41Å; V340-R344 PolarHBondContact O-N 3.4Å; E341-R344 PolarHBondContact O-N 2.71Å; E341-R344 IonicContact OE1-CZ 3.54Å; E341-R344 VanDerWaalsContact OE1-CZ 3.24Å; E341-R344 IonicContact OE1-NH1 2.68Å; E341-R344 PolarHBondContact OE1-NH1 2.78Å; E341-R344 IonicContact OE1-NH2 4Å; E341-R344 PolarHBondContact OE1-NH2 3.37Å; E341-R344 IonicContact OE2-CZ 3.8Å; E341-R344 IonicContact OE2-NH1 3.74Å; E341-R344 PolarHBondContact OE2-NH1 3.46Å; E341-R344 IonicContact OE2-NH2 2.82Å; I342-R344 VanDerWaalsContact C-N 3.32Å; I342-R344 PolarHBondContact O-N 2.69Å; R344-K347 PolarHBondContact O-N 3.33Å; R344-Q348 WeakPolarHBondContact O-CB 3.4Å; R344-Q348 VanDerWaalsContact O-CG 3.3Å; R344-Q348 WeakPolarHBondContact O-CG 3.33Å; R344-Q348 PolarHBondContact O-N 3.39Å
345	A	92.4	Very high	89.1	Confident	3 Å²	3	40 Å²	40	3%	0.025	21%	0.212	C	C	.	.	H	α-helix	trans	-61.3	-45.5	176.3	0	0	0	0	0	111.6	A308 Y311 L312 E341 I342 K347 Q348 V349	A308-A345 HydrophobicContact CB-CB 4.36Å; Y311-A345 HydrophobicContact CD1-CB 4.01Å; L312-A345 HydrophobicContact CD1-CB 4.02Å; L312-A345 HydrophobicContact CD2-CB 3.93Å; L312-A345 HydrophobicContact CG-CB 3.75Å; E341-A345 WeakPolarHBondContact O-CB 3.44Å; E341-A345 PolarHBondContact O-N 2.93Å; I342-A345 PolarHBondContact O-N 3.24Å; A345-K347 PolarHBondContact O-N 2.86Å; A345-Q348 PolarHBondContact O-N 3.22Å; A345-Q348 VanDerWaalsContact O-N 3.15Å; A345-V349 WeakPolarHBondContact O-CG2 3.06Å; A345-V349 PolarHBondContact O-N 2.81Å
346	L	93.2	Very high	89.7	Confident	1 Å²	1	37.9 Å²	37.9	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-59.1	-43.9	176.3	-75.7	162.9	0	0	0	112.4	I111 I125 V304 M305 A308 I342 E343 Q348 V349	I111-L346 HydrophobicContact CD1-CD1 4.13Å; I111-L346 HydrophobicContact CG1-CD1 4.4Å; I111-L346 HydrophobicContact CG1-CD2 4.42Å; I125-L346 HydrophobicContact CD1-CB 4.09Å; I125-L346 HydrophobicContact CG1-CB 4.06Å; I125-L346 HydrophobicContact CG1-CD1 4.18Å; V304-L346 HydrophobicContact CG1-CD2 4.2Å; M305-L346 HydrophobicContact CG-CD2 4.39Å; A308-L346 HydrophobicContact CB-CD2 3.62Å; A308-L346 HydrophobicContact CB-CG 3.9Å; I342-L346 HydrophobicContact CG2-CD1 3.96Å; I342-L346 WeakPolarHBondContact O-CB 3.08Å; I342-L346 WeakPolarHBondContact O-CG 3.46Å; I342-L346 PolarHBondContact O-N 2.76Å; E343-L346 PolarHBondContact O-N 3.22Å; L346-Q348 VanDerWaalsContact C-N 3.28Å; L346-Q348 PolarHBondContact O-N 3.45Å; L346-V349 PolarHBondContact O-N 3.21Å
347	K	92.7	Very high	90.4	Very high	36 Å²	36	39 Å²	39	16%	0.157	21%	0.209	C	C	.	.	H	α-helix	trans	-69.9	-21.6	177	-69.9	173.2	-175.4	169.8	0	113.8	I125 E343 R344 A345 Q362	I125-K347 HydrophobicContact CD1-CG 3.83Å; E343-K347 VanDerWaalsContact CD-CE 3.47Å; E343-K347 HydrophobicContact CG-CD 4.46Å; E343-K347 WeakPolarHBondContact O-CG 3.17Å; E343-K347 PolarHBondContact O-N 3.33Å; E343-K347 VanDerWaalsContact OE1-CE 3.28Å; E343-K347 WeakPolarHBondContact OE1-CE 3.49Å; E343-K347 IonicContact OE1-NZ 3.82Å; E343-K347 PolarHBondContact OE1-NZ 3.09Å; E343-K347 IonicContact OE2-NZ 2.67Å; E343-K347 PolarHBondContact OE2-NZ 3Å; R344-K347 PolarHBondContact O-N 3.33Å; A345-K347 PolarHBondContact O-N 2.86Å; K347-Q362 WeakPolarHBondContact CE-O 3.48Å; K347-Q362 PolarHBondContact NZ-O 2.93Å
348	Q	91.8	Very high	91.4	Very high	106 Å²	106	35.6 Å²	35.6	50%	0.495	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-4.3	177.3	-74.8	176.4	-13.2	0	0	113.7	Y311 R344 A345 L346 N350	Y311-Q348 PolarHBondContact OH-OE1 3.29Å; Y311-Q348 VanDerWaalsContact OH-OE1 3.04Å; R344-Q348 WeakPolarHBondContact O-CB 3.4Å; R344-Q348 VanDerWaalsContact O-CG 3.3Å; R344-Q348 WeakPolarHBondContact O-CG 3.33Å; R344-Q348 PolarHBondContact O-N 3.39Å; A345-Q348 PolarHBondContact O-N 3.22Å; A345-Q348 VanDerWaalsContact O-N 3.15Å; L346-Q348 VanDerWaalsContact C-N 3.28Å; L346-Q348 PolarHBondContact O-N 3.45Å; Q348-N350 PolarHBondContact O-N 3.01Å
349	V	94.1	Very high	91.9	Very high	10 Å²	10	34.9 Å²	34.9	6%	0.061	18%	0.177	C	C	.	.			trans	-68.3	131.6	174.7	-178.7	0	0	0	0	110.5	V304 E307 A308 A345 L346 V351	V304-V349 HydrophobicContact CB-CG1 4.43Å; V304-V349 HydrophobicContact CG1-CB 4.09Å; V304-V349 HydrophobicContact CG1-CG1 4.14Å; V304-V349 HydrophobicContact CG1-CG2 4.16Å; V304-V349 HydrophobicContact CG2-CG1 4.26Å; E307-V349 HydrophobicContact CB-CG1 4.27Å; A308-V349 HydrophobicContact CB-CG2 3.86Å; A345-V349 WeakPolarHBondContact O-CG2 3.06Å; A345-V349 PolarHBondContact O-N 2.81Å; L346-V349 PolarHBondContact O-N 3.21Å; V349-V351 HydrophobicContact CG1-CB 4.45Å; V349-V351 HydrophobicContact CG1-CG1 3.81Å; V349-V351 HydrophobicContact CG1-CG2 3.93Å
350	N	94.7	Very high	92.3	Very high	99 Å²	99	35.8 Å²	35.8	53%	0.529	18%	0.181	S	C	.	.			trans	-131.9	110.4	169.9	176.6	37.2	0	0	0	108	Q348 N357 I358 Q359	Q348-N350 PolarHBondContact O-N 3.01Å; N350-N357 PolarHBondContact OD1-OD1 2.68Å; N350-I358 WeakPolarHBondContact CA-O 3.48Å; N350-Q359 HydrophobicContact CB-CG 4.36Å; N350-Q359 WeakPolarHBondContact OD1-CG 3.03Å; N350-Q359 PolarHBondContact OD1-NE2 3.38Å
351	V	93.1	Very high	92.4	Very high	24 Å²	24	34.9 Å²	34.9	15%	0.145	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	151.3	-176.2	-65.7	0	0	0	0	111.2	Q303 V304 V349 I358	Q303-V351 HydrophobicContact CG-CG2 4.34Å; V304-V351 HydrophobicContact CG2-CG2 4.06Å; V349-V351 HydrophobicContact CG1-CB 4.45Å; V349-V351 HydrophobicContact CG1-CG1 3.81Å; V349-V351 HydrophobicContact CG1-CG2 3.93Å; V351-I358 HydrophobicContact CG2-CB 4.27Å; V351-I358 HydrophobicContact CG2-CD1 4.27Å; V351-I358 PolarHBondContact N-O 2.94Å; V351-I358 WeakPolarHBondContact O-CA 3.1Å; V351-I358 VanDerWaalsContact O-CB 3.3Å; V351-I358 WeakPolarHBondContact O-CB 3.48Å; V351-I358 WeakPolarHBondContact O-CG1 3.4Å; V351-I358 PolarHBondContact O-N 3.02Å
352	D	92.6	Very high	92.4	Very high	94 Å²	94	39 Å²	39	50%	0.503	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	132	169.9	-57.3	-65.3	0	0	0	110.8	Q303 N357	Q303-D352 PolarHBondContact NE2-O 2.87Å; D352-N357 VanDerWaalsContact OD1-CA 3.26Å; D352-N357 WeakPolarHBondContact OD1-CA 3.42Å; D352-N357 WeakPolarHBondContact OD1-CB 3.35Å
353	G	91.1	Very high	92.4	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	-160.7	179.7	0	0	0	0	0	112.9	S355 G356	G353-S355 PolarHBondContact O-N 3.05Å; G353-G356 PolarHBondContact N-O 3.32Å; G353-G356 PolarHBondContact O-N 2.76Å; G353-G356 VanDerWaalsContact O-N 3.08Å
354	L	91.9	Very high	92.2	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-21.1	177.1	-61.6	177.3	0	0	0	113.2	L268 V269 F272 I291 A296 Y299 D300 G356	L268-L354 HydrophobicContact CD2-CD2 3.77Å; V269-L354 HydrophobicContact CB-CD2 4.38Å; V269-L354 HydrophobicContact CG2-CD2 3.97Å; F272-L354 HydrophobicContact CB-CD2 3.8Å; F272-L354 HydrophobicContact CD1-CD1 4.03Å; F272-L354 HydrophobicContact CD1-CD2 4.17Å; F272-L354 HydrophobicContact CD2-CD1 4.24Å; F272-L354 HydrophobicContact CD2-CD2 4.38Å; F272-L354 HydrophobicContact CE1-CD1 4.09Å; F272-L354 HydrophobicContact CE2-CD1 4.27Å; F272-L354 HydrophobicContact CG-CD1 4.12Å; F272-L354 HydrophobicContact CG-CD2 3.84Å; F272-L354 HydrophobicContact CZ-CD1 4.2Å; I291-L354 HydrophobicContact CD1-CD1 4.15Å; A296-L354 HydrophobicContact CB-CB 3.99Å; A296-L354 HydrophobicContact CB-CD1 4.07Å; Y299-L354 HydrophobicContact CD1-CD1 3.41Å; Y299-L354 VanDerWaalsContact CD1-CD1 3.41Å; Y299-L354 HydrophobicContact CD1-CG 3.74Å; Y299-L354 HydrophobicContact CE1-CD1 3.93Å; Y299-L354 HydrophobicContact CE1-CG 3.92Å; Y299-L354 HydrophobicContact CG-CD1 3.95Å; D300-L354 PolarHBondContact OD1-N 3.35Å; D300-L354 PolarHBondContact OD2-N 3.42Å; L354-G356 VanDerWaalsContact C-N 3.32Å
355	S	92.6	Very high	92.2	Very high	6 Å²	6	37 Å²	37	4%	0.042	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	19.5	169.6	61	0	0	0	0	113.8	D300 G353	D300-S355 WeakPolarHBondContact OD2-CB 3.44Å; D300-S355 PolarHBondContact OD2-N 2.85Å; D300-S355 PolarHBondContact OD2-OG 3.11Å; G353-S355 PolarHBondContact O-N 3.05Å
356	G	91.5	Very high	92.1	Very high	18 Å²	18	37.4 Å²	37.4	19%	0.186	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	71.4	-152.4	-174.4	0	0	0	0	0	112.4	G353 L354 I358	G353-G356 PolarHBondContact N-O 3.32Å; G353-G356 PolarHBondContact O-N 2.76Å; G353-G356 VanDerWaalsContact O-N 3.08Å; L354-G356 VanDerWaalsContact C-N 3.32Å; G356-I358 WeakPolarHBondContact O-CG1 3.34Å; G356-I358 PolarHBondContact O-N 2.83Å
357	N	93.3	Very high	92	Very high	39 Å²	39	40.7 Å²	40.7	21%	0.209	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.8	130.5	173.6	168.4	70.1	0	0	0	111.9	N350 D352 Q359 R366 N368	N350-N357 PolarHBondContact OD1-OD1 2.68Å; D352-N357 VanDerWaalsContact OD1-CA 3.26Å; D352-N357 WeakPolarHBondContact OD1-CA 3.42Å; D352-N357 WeakPolarHBondContact OD1-CB 3.35Å; N357-Q359 PolarHBondContact ND2-NE2 2.85Å; N357-Q359 PolarHBondContact OD1-NE2 3.22Å; N357-R366 PolarHBondContact O-NH1 3.46Å; N357-R366 PolarHBondContact O-NH2 2.64Å; N357-N368 PolarHBondContact ND2-ND2 2.75Å; N357-N368 PolarHBondContact ND2-O 3.16Å
358	I	94.4	Very high	91.8	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	113.9	-178.9	-48.7	179.7	0	0	0	110.6	D300 V304 N350 V351 G356 F360	D300-I358 HydrophobicContact CB-CD1 3.71Å; V304-I358 HydrophobicContact CG2-CD1 4.24Å; V304-I358 HydrophobicContact CG2-CG2 4.05Å; N350-I358 WeakPolarHBondContact CA-O 3.48Å; V351-I358 HydrophobicContact CG2-CB 4.27Å; V351-I358 HydrophobicContact CG2-CD1 4.27Å; V351-I358 PolarHBondContact N-O 2.94Å; V351-I358 WeakPolarHBondContact O-CA 3.1Å; V351-I358 VanDerWaalsContact O-CB 3.3Å; V351-I358 WeakPolarHBondContact O-CB 3.48Å; V351-I358 WeakPolarHBondContact O-CG1 3.4Å; V351-I358 PolarHBondContact O-N 3.02Å; G356-I358 WeakPolarHBondContact O-CG1 3.34Å; G356-I358 PolarHBondContact O-N 2.83Å; I358-F360 HydrophobicContact CG2-CE1 4.38Å; I358-F360 HydrophobicContact CG2-CE2 3.87Å; I358-F360 HydrophobicContact CG2-CZ 3.61Å
359	Q	93.5	Very high	91.8	Very high	54 Å²	54	37 Å²	37	25%	0.252	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	153	177.1	-68.6	170.8	7.6	0	0	110.2	N350 N357 R366 L367 N368	N350-Q359 HydrophobicContact CB-CG 4.36Å; N350-Q359 WeakPolarHBondContact OD1-CG 3.03Å; N350-Q359 PolarHBondContact OD1-NE2 3.38Å; N357-Q359 PolarHBondContact ND2-NE2 2.85Å; N357-Q359 PolarHBondContact OD1-NE2 3.22Å; Q359-R366 WeakPolarHBondContact O-CA 3.41Å; Q359-L367 PolarHBondContact O-N 3.39Å; Q359-N368 PolarHBondContact OE1-ND2 3.25Å
360	F	93.5	Very high	91.7	Very high	20 Å²	20	39.8 Å²	39.8	9%	0.088	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	153.6	-176.7	-57.2	-75.9	0	0	0	113.3	I125 M127 V304 I358 K365 R366	I125-F360 HydrophobicContact CG2-CD1 3.86Å; I125-F360 HydrophobicContact CG2-CE1 3.48Å; I125-F360 VanDerWaalsContact CG2-CE1 3.48Å; I125-F360 HydrophobicContact CG2-CE2 4.18Å; I125-F360 HydrophobicContact CG2-CG 4.37Å; I125-F360 HydrophobicContact CG2-CZ 3.67Å; M127-F360 HydrophobicContact CE-CE1 4.43Å; M127-F360 HydrophobicContact CE-CZ 3.77Å; M127-F360 HydrophobicContact SD-CE1 4.22Å; M127-F360 HydrophobicContact SD-CZ 3.79Å; V304-F360 HydrophobicContact CG1-CE2 3.9Å; V304-F360 HydrophobicContact CG1-CZ 4.29Å; V304-F360 HydrophobicContact CG2-CE2 4.33Å; V304-F360 HydrophobicContact CG2-CZ 4.41Å; I358-F360 HydrophobicContact CG2-CE1 4.38Å; I358-F360 HydrophobicContact CG2-CE2 3.87Å; I358-F360 HydrophobicContact CG2-CZ 3.61Å; F360-K365 CarbonylContact C-O 3.59Å; F360-K365 VanDerWaalsContact CA-O 3.24Å; F360-K365 WeakPolarHBondContact CA-O 3Å; F360-R366 HydrophobicContact CE1-CG 4.2Å
361	D	90.6	Very high	91.6	Very high	35 Å²	35	35 Å²	35	19%	0.187	18%	0.183	C	C	.	.			trans	-84.4	177.7	168.5	87.9	-24.2	0	0	0	112.5	H363 G364 K365 L367	D361-H363 PolarHBondContact O-N 2.92Å; D361-H363 VanDerWaalsContact OD1-CA 3.22Å; D361-H363 WeakPolarHBondContact OD1-CA 3.26Å; D361-H363 WeakPolarHBondContact OD1-CB 3.37Å; D361-H363 PolarHBondContact OD1-N 3.46Å; D361-H363 IonicContact OD2-CD2 2.68Å; D361-H363 PolarHBondContact OD2-CD2 3.48Å; D361-H363 IonicContact OD2-CG 3.05Å; D361-G364 PolarHBondContact O-N 3.21Å; D361-G364 PolarHBondContact OD1-N 2.82Å; D361-K365 PolarHBondContact N-O 2.77Å; D361-K365 WeakPolarHBondContact OD1-CB 3.13Å; D361-K365 PolarHBondContact OD1-N 2.88Å; D361-L367 HydrophobicContact CB-CD1 3.64Å; D361-L367 HydrophobicContact CB-CD2 4.23Å; D361-L367 HydrophobicContact CB-CG 3.85Å
362	Q	89.9	Confident	91.6	Very high	149 Å²	149	34.2 Å²	34.2	70%	0.696	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-10.6	175.7	68.6	-178.1	8.1	0	0	114.6	K347	K347-Q362 WeakPolarHBondContact CE-O 3.48Å; K347-Q362 PolarHBondContact NZ-O 2.93Å
363	H	89.5	Confident	91.6	Very high	32 Å²	32	29.8 Å²	29.8	15%	0.148	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.7	9.3	178.6	-54.4	-57.4	0	0	0	113	N120 D361 K365	N120-H363 VanDerWaalsContact CG-CD2 3.46Å; N120-H363 PolarHBondContact ND2-NE2 2.92Å; N120-H363 VanDerWaalsContact ND2-NE2 3.16Å; D361-H363 PolarHBondContact O-N 2.92Å; D361-H363 VanDerWaalsContact OD1-CA 3.22Å; D361-H363 WeakPolarHBondContact OD1-CA 3.26Å; D361-H363 WeakPolarHBondContact OD1-CB 3.37Å; D361-H363 PolarHBondContact OD1-N 3.46Å; D361-H363 IonicContact OD2-CD2 2.68Å; D361-H363 PolarHBondContact OD2-CD2 3.48Å; D361-H363 IonicContact OD2-CG 3.05Å; H363-K365 VanDerWaalsContact C-N 3.34Å
364	G	88.8	Confident	91.6	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.161	C	C	.	.	S	Bend	trans	76	13.8	178.6	0	0	0	0	0	115.2	Q126 D361	Q126-G364 PolarHBondContact N-O 3.26Å; D361-G364 PolarHBondContact O-N 3.21Å; D361-G364 PolarHBondContact OD1-N 2.82Å
365	K	91	Very high	91.6	Very high	51 Å²	51	32.3 Å²	32.3	22%	0.222	17%	0.168	C	C	.	.			trans	-83.3	143.9	173.6	-65.6	171.3	-179.8	167.6	0	110.6	G119 N120 F360 D361 H363 L367	G119-K365 WeakPolarHBondContact O-CE 3.26Å; G119-K365 PolarHBondContact O-NZ 3.4Å; N120-K365 PolarHBondContact OD1-NZ 3.06Å; F360-K365 CarbonylContact C-O 3.59Å; F360-K365 VanDerWaalsContact CA-O 3.24Å; F360-K365 WeakPolarHBondContact CA-O 3Å; D361-K365 PolarHBondContact N-O 2.77Å; D361-K365 WeakPolarHBondContact OD1-CB 3.13Å; D361-K365 PolarHBondContact OD1-N 2.88Å; H363-K365 VanDerWaalsContact C-N 3.34Å; K365-L367 PolarHBondContact O-N 3.29Å
366	R	91.3	Very high	91.5	Very high	10 Å²	10	33 Å²	33	4%	0.038	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	127.3	174.4	-82.9	-114.7	47.2	-163	-16.1	112	Q126 M127 P129 N357 Q359 F360 Y369	Q126-R366 WeakPolarHBondContact O-CG 3.36Å; M127-R366 WeakPolarHBondContact O-CD 3.26Å; M127-R366 WeakPolarHBondContact O-CG 3.42Å; P129-R366 HydrophobicContact CB-CB 4.27Å; N357-R366 PolarHBondContact O-NH1 3.46Å; N357-R366 PolarHBondContact O-NH2 2.64Å; Q359-R366 WeakPolarHBondContact O-CA 3.41Å; F360-R366 HydrophobicContact CE1-CG 4.2Å; R366-Y369 HydrophobicContact CB-CD1 4.2Å; R366-Y369 WeakPolarHBondContact O-CE1 3.29Å
367	L	89.5	Confident	91.2	Very high	70 Å²	70	34.4 Å²	34.4	37%	0.366	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	163.5	168.8	-67	-179.6	0	0	0	110.7	Q359 D361 K365 Y369	Q359-L367 PolarHBondContact O-N 3.39Å; D361-L367 HydrophobicContact CB-CD1 3.64Å; D361-L367 HydrophobicContact CB-CD2 4.23Å; D361-L367 HydrophobicContact CB-CG 3.85Å; K365-L367 PolarHBondContact O-N 3.29Å; L367-Y369 PolarHBondContact O-N 2.92Å; L367-Y369 VanDerWaalsContact O-N 3.09Å
368	N	89.4	Confident	90.6	Very high	60 Å²	60	37.8 Å²	37.8	32%	0.321	19%	0.194	S	C	.	.	S	Bend	trans	51.8	39.2	167.6	-167	20.4	0	0	0	113.2	N357 Q359 E389	N357-N368 PolarHBondContact ND2-ND2 2.75Å; N357-N368 PolarHBondContact ND2-O 3.16Å; Q359-N368 PolarHBondContact OE1-ND2 3.25Å; N368-E389 PolarHBondContact N-OE2 3.02Å
369	Y	91.4	Very high	90	Very high	6 Å²	6	45.2 Å²	45.2	2%	0.024	23%	0.234	C	C	.	.			trans	-89.4	157.1	170.9	52.8	-83.3	0	0	0	109.7	P129 R366 L367 V371 W387 N388 E389	P129-Y369 HydrophobicContact CB-CD1 3.77Å; P129-Y369 HydrophobicContact CB-CD2 3.41Å; P129-Y369 VanDerWaalsContact CB-CD2 3.41Å; P129-Y369 HydrophobicContact CB-CE1 4.06Å; P129-Y369 HydrophobicContact CB-CE2 3.69Å; P129-Y369 HydrophobicContact CB-CG 3.48Å; P129-Y369 VanDerWaalsContact CB-CG 3.48Å; P129-Y369 HydrophobicContact CG-CD2 4.21Å; P129-Y369 HydrophobicContact CG-CG 4.41Å; R366-Y369 HydrophobicContact CB-CD1 4.2Å; R366-Y369 WeakPolarHBondContact O-CE1 3.29Å; L367-Y369 PolarHBondContact O-N 2.92Å; L367-Y369 VanDerWaalsContact O-N 3.09Å; Y369-V371 HydrophobicContact CD2-CG2 3.72Å; Y369-V371 HydrophobicContact CE2-CG2 4.03Å; Y369-W387 HydrophobicContact CE2-CE3 4.14Å; Y369-W387 AromaticContact CE2-CZ3 3.6Å; Y369-W387 HydrophobicContact CE2-CZ3 3.6Å; Y369-W387 AromaticContact CZ-CZ3 3.87Å; Y369-N388 PolarHBondContact O-ND2 3.35Å; Y369-E389 VanDerWaalsContact CE1-CD 3.42Å; Y369-E389 HydrophobicContact CE1-CG 3.99Å; Y369-E389 WeakPolarHBondContact CE1-OE1 3.47Å; Y369-E389 PolarHBondContact OH-OE1 3.11Å
370	T	91.6	Very high	89.5	Confident	67 Å²	67	43 Å²	43	41%	0.411	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	126.8	173.7	-62.1	0	0	0	0	108.5	I261 F386 W387 N388	I261-T370 WeakPolarHBondContact CD1-O 3.18Å; T370-F386 HydrophobicContact CG2-CB 3.68Å; T370-F386 HydrophobicContact CG2-CD2 3.7Å; T370-F386 HydrophobicContact CG2-CG 3.9Å; T370-W387 CarbonylContact C-O 3.6Å; T370-W387 WeakPolarHBondContact CA-O 3.16Å; T370-N388 PolarHBondContact OG1-ND2 3.15Å; T370-N388 VanDerWaalsContact OG1-ND2 3.16Å
371	V	93	Very high	89.2	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	123.9	-179	-172.8	0	0	0	0	109.2	P134 L239 F259 I261 Y369 F386 W387	P134-V371 HydrophobicContact CG-CB 4.29Å; P134-V371 HydrophobicContact CG-CG2 3.95Å; L239-V371 HydrophobicContact CD2-CG1 4.23Å; F259-V371 HydrophobicContact CB-CG1 3.68Å; F259-V371 HydrophobicContact CD1-CG1 4.13Å; F259-V371 HydrophobicContact CG-CG1 4.3Å; I261-V371 HydrophobicContact CD1-CG2 4.45Å; Y369-V371 HydrophobicContact CD2-CG2 3.72Å; Y369-V371 HydrophobicContact CE2-CG2 4.03Å; V371-F386 CarbonylContact O-C 3.58Å; V371-F386 VanDerWaalsContact O-CA 3.24Å; V371-F386 WeakPolarHBondContact O-CA 3.4Å; V371-W387 HydrophobicContact CB-CB 4.49Å; V371-W387 PolarHBondContact N-O 2.81Å; V371-W387 PolarHBondContact O-N 3.25Å
372	G	92.4	Very high	89.2	Confident	7 Å²	7	46.3 Å²	46.3	7%	0.072	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	134	172.1	0	0	0	0	0	111.1	F259 Q260	F259-G372 WeakPolarHBondContact CA-O 3.32Å; Q260-G372 PolarHBondContact N-O 3.06Å; Q260-G372 WeakPolarHBondContact O-CA 3.47Å; Q260-G372 PolarHBondContact O-N 3.04Å
373	V	93.9	Very high	89.1	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.006	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	122	171.5	-175	0	0	0	0	108.3	L138 F259 I384 G385 M393	L138-V373 HydrophobicContact CD1-CG1 3.77Å; L138-V373 HydrophobicContact CD2-CG1 4.43Å; F259-V373 HydrophobicContact CD1-CG2 4.31Å; F259-V373 HydrophobicContact CE1-CG2 4.37Å; V373-I384 HydrophobicContact CB-CG1 4.1Å; V373-I384 HydrophobicContact CG1-CD1 3.86Å; V373-I384 HydrophobicContact CG1-CG1 3.79Å; V373-I384 WeakPolarHBondContact O-CG1 3.01Å; V373-I384 PolarHBondContact O-N 3.19Å; V373-G385 PolarHBondContact N-O 3.25Å; V373-M393 HydrophobicContact CB-CE 4.43Å; V373-M393 HydrophobicContact CG1-CE 4.04Å; V373-M393 HydrophobicContact CG2-CE 4.33Å
374	M	91.1	Very high	89.1	Confident	21 Å²	21	41.3 Å²	41.3	10%	0.103	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	144.6	-175.4	-55.7	-59.1	-72.1	0	0	111.1	F241 S257 G258 Q260 P381 V382 K383	F241-M374 HydrophobicContact CB-CB 4.37Å; F241-M374 HydrophobicContact CB-CG 4.4Å; F241-M374 HydrophobicContact CD1-CB 3.38Å; F241-M374 HydrophobicContact CD1-CG 4.07Å; F241-M374 HydrophobicContact CE1-CB 3.79Å; F241-M374 HydrophobicContact CG-CB 4.01Å; S257-M374 VanDerWaalsContact CA-O 3.31Å; S257-M374 WeakPolarHBondContact CA-O 3.5Å; G258-M374 PolarHBondContact N-O 3.2Å; G258-M374 PolarHBondContact O-N 2.95Å; Q260-M374 HydrophobicContact CB-CG 3.65Å; Q260-M374 HydrophobicContact CB-SD 4.24Å; M374-P381 HydrophobicContact CE-CB 4.21Å; M374-V382 WeakPolarHBondContact CA-O 3.26Å; M374-K383 HydrophobicContact CE-CB 4.26Å; M374-K383 VanDerWaalsContact SD-CA 3.57Å; M374-K383 HydrophobicContact SD-CB 3.69Å; M374-K383 HydrophobicContact SD-CG 3.99Å
375	E	91.3	Very high	89.2	Confident	33 Å²	33	41.3 Å²	41.3	15%	0.154	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	134.7	171.2	-170.2	164.8	-125.3	0	0	109	Y142 V382 I384	Y142-E375 PolarHBondContact OH-OE1 3.1Å; E375-V382 PolarHBondContact N-O 2.82Å; E375-V382 PolarHBondContact O-N 3.49Å; E375-I384 HydrophobicContact CB-CD1 4.41Å; E375-I384 HydrophobicContact CB-CG2 3.72Å
376	L	90.1	Very high	89.2	Confident	19 Å²	19	41.5 Å²	41.5	10%	0.099	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	128.5	177	-175.5	60.4	0	0	0	109.9	F241 L246 I249 Q250 V256	F241-L376 HydrophobicContact CZ-CB 4.21Å; L246-L376 HydrophobicContact CB-CD1 4.18Å; L246-L376 HydrophobicContact CB-CD2 4.15Å; L246-L376 HydrophobicContact CD1-CD1 4.3Å; I249-L376 HydrophobicContact CD1-CD2 4.2Å; I249-L376 HydrophobicContact CG1-CD2 3.81Å; Q250-L376 HydrophobicContact CB-CD2 4.41Å; Q250-L376 HydrophobicContact CG-CD1 4.39Å; V256-L376 HydrophobicContact CB-CB 4.07Å; V256-L376 HydrophobicContact CB-CD2 4.25Å; V256-L376 HydrophobicContact CG2-CD2 4.45Å; V256-L376 PolarHBondContact O-N 2.89Å
377	T	86.1	Confident	89.4	Confident	48 Å²	48	41.8 Å²	41.8	29%	0.294	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	169.8	178.3	73	0	0	0	0	110.4	Q250 N379 G380 V382	Q250-T377 WeakPolarHBondContact CG-O 3.23Å; T377-N379 PolarHBondContact O-N 3.21Å; T377-N379 PolarHBondContact OG1-N 3.39Å; T377-G380 PolarHBondContact N-O 3.11Å; T377-G380 PolarHBondContact O-N 3.37Å; T377-G380 PolarHBondContact OG1-O 3.44Å; T377-V382 HydrophobicContact CG2-CB 4.18Å; T377-V382 HydrophobicContact CG2-CG2 3.91Å
378	D	79.9	Confident	89.4	Confident	110 Å²	110	39.3 Å²	39.3	59%	0.588	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-23.1	175.9	-52.5	-53.8	0	0	0	112.9	Q250	Q250-D378 PolarHBondContact NE2-O 2.83Å
379	N	81.4	Confident	89	Confident	157 Å²	157	39.9 Å²	39.9	84%	0.84	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.2	2.5	177.3	-66.3	-21.2	0	0	0	114	T377	T377-N379 PolarHBondContact O-N 3.21Å; T377-N379 PolarHBondContact OG1-N 3.39Å
380	G	84.1	Confident	88.7	Confident	8 Å²	8	46 Å²	46	8%	0.082	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	108.7	-171.6	-174.7	0	0	0	0	0	113.8	T377	T377-G380 PolarHBondContact N-O 3.11Å; T377-G380 PolarHBondContact O-N 3.37Å; T377-G380 PolarHBondContact OG1-O 3.44Å
381	P	87.6	Confident	88.1	Confident	53 Å²	53	48 Å²	48	34%	0.344	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	127.2	-177.7	29.9	-34.2	0	0	0	111.7	F241 V242 L246 M374	F241-P381 HydrophobicContact CD1-CB 4.16Å; F241-P381 HydrophobicContact CE1-CB 3.95Å; V242-P381 HydrophobicContact CG2-CB 4.46Å; V242-P381 HydrophobicContact CG2-CG 4.24Å; L246-P381 HydrophobicContact CD1-CB 4.28Å; M374-P381 HydrophobicContact CE-CB 4.21Å
382	V	88.8	Confident	87.8	Confident	70 Å²	70	54 Å²	54	42%	0.424	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	138.2	-177.8	178.9	0	0	0	0	110.6	M374 E375 T377 I384	M374-V382 WeakPolarHBondContact CA-O 3.26Å; E375-V382 PolarHBondContact N-O 2.82Å; E375-V382 PolarHBondContact O-N 3.49Å; T377-V382 HydrophobicContact CG2-CB 4.18Å; T377-V382 HydrophobicContact CG2-CG2 3.91Å; V382-I384 PolarHBondContact O-N 3.06Å
383	K	89.5	Confident	87.5	Confident	72 Å²	72	55.3 Å²	55.3	31%	0.313	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	110.8	176.1	-168.5	178.5	-177	-176.7	0	110.3	D263 M374	D263-K383 IonicContact OD2-NZ 3.52Å; D263-K383 PolarHBondContact OD2-NZ 2.83Å; M374-K383 HydrophobicContact CE-CB 4.26Å; M374-K383 VanDerWaalsContact SD-CA 3.57Å; M374-K383 HydrophobicContact SD-CB 3.69Å; M374-K383 HydrophobicContact SD-CG 3.99Å
384	I	89.4	Confident	87.2	Confident	5 Å²	5	57.7 Å²	57.7	3%	0.026	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	-15.9	179.8	62.7	165.4	0	0	0	113.1	Y141 V373 E375 V382 M393 T396 K397	Y141-I384 HydrophobicContact CE1-CD1 4.45Å; V373-I384 HydrophobicContact CB-CG1 4.1Å; V373-I384 HydrophobicContact CG1-CD1 3.86Å; V373-I384 HydrophobicContact CG1-CG1 3.79Å; V373-I384 WeakPolarHBondContact O-CG1 3.01Å; V373-I384 PolarHBondContact O-N 3.19Å; E375-I384 HydrophobicContact CB-CD1 4.41Å; E375-I384 HydrophobicContact CB-CG2 3.72Å; V382-I384 PolarHBondContact O-N 3.06Å; I384-M393 HydrophobicContact CD1-CE 4.29Å; I384-T396 PolarHBondContact O-N 3.22Å; I384-K397 PolarHBondContact O-N 2.85Å
385	G	90.4	Very high	87	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.3	-164.3	178.4	0	0	0	0	0	112.9	V373 V394	V373-G385 PolarHBondContact N-O 3.25Å; G385-V394 VanDerWaalsContact CA-O 3.29Å; G385-V394 WeakPolarHBondContact CA-O 3.31Å
386	F	91.8	Very high	86.3	Confident	54 Å²	54	61.4 Å²	61.4	24%	0.237	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	161.3	173.5	65.3	-95.5	0	0	0	111.8	T370 V371 V394 T396	T370-F386 HydrophobicContact CG2-CB 3.68Å; T370-F386 HydrophobicContact CG2-CD2 3.7Å; T370-F386 HydrophobicContact CG2-CG 3.9Å; V371-F386 CarbonylContact O-C 3.58Å; V371-F386 VanDerWaalsContact O-CA 3.24Å; V371-F386 WeakPolarHBondContact O-CA 3.4Å; F386-V394 HydrophobicContact CD2-CB 4.43Å; F386-V394 HydrophobicContact CE1-CB 4.2Å; F386-V394 HydrophobicContact CE1-CG1 4.22Å; F386-V394 HydrophobicContact CE2-CB 3.99Å; F386-V394 HydrophobicContact CE2-CG2 4.04Å; F386-V394 HydrophobicContact CZ-CB 3.86Å; F386-V394 HydrophobicContact CZ-CG1 4.06Å; F386-V394 HydrophobicContact CZ-CG2 4.17Å; F386-V394 PolarHBondContact N-O 3.27Å; F386-V394 PolarHBondContact O-N 3.46Å; F386-T396 WeakPolarHBondContact CD1-OG1 3.49Å; F386-T396 HydrophobicContact CE1-CG2 4.44Å; F386-T396 VanDerWaalsContact CE1-OG1 3.31Å; F386-T396 WeakPolarHBondContact CE1-OG1 3.49Å
387	W	93.6	Very high	84.9	Confident	16 Å²	16	66.1 Å²	66.1	6%	0.061	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	136.7	171.7	-172.6	97.6	0	0	0	110.3	G133 P134 S137 Y369 T370 V371 E389 K392	G133-W387 VanDerWaalsContact C-CE2 3.46Å; G133-W387 VanDerWaalsContact C-CZ2 3.49Å; G133-W387 VanDerWaalsContact CA-CZ2 3.49Å; G133-W387 PolarHBondContact O-NE1 2.89Å; P134-W387 HydrophobicContact CB-CB 4.37Å; P134-W387 HydrophobicContact CB-CD2 4.29Å; P134-W387 HydrophobicContact CB-CG 4.16Å; P134-W387 HydrophobicContact CG-CB 4.4Å; P134-W387 HydrophobicContact CG-CD2 3.69Å; P134-W387 HydrophobicContact CG-CE3 3.63Å; P134-W387 HydrophobicContact CG-CG 4.04Å; P134-W387 HydrophobicContact CG-CZ3 4.12Å; S137-W387 PolarHBondContact OG-NE1 3.32Å; Y369-W387 HydrophobicContact CE2-CE3 4.14Å; Y369-W387 AromaticContact CE2-CZ3 3.6Å; Y369-W387 HydrophobicContact CE2-CZ3 3.6Å; Y369-W387 AromaticContact CZ-CZ3 3.87Å; T370-W387 CarbonylContact C-O 3.6Å; T370-W387 WeakPolarHBondContact CA-O 3.16Å; V371-W387 HydrophobicContact CB-CB 4.49Å; V371-W387 PolarHBondContact N-O 2.81Å; V371-W387 PolarHBondContact O-N 3.25Å; W387-E389 HydrophobicContact CH2-CB 4.23Å; W387-E389 HydrophobicContact CH2-CG 3.74Å; W387-E389 HydrophobicContact CZ3-CB 4.37Å; W387-E389 HydrophobicContact CZ3-CG 3.63Å; W387-K392 WeakPolarHBondContact CA-O 3.43Å
388	N	90.1	Very high	83	Confident	18 Å²	18	72.3 Å²	72.3	10%	0.096	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	146.9	172.6	-178.4	-61.9	0	0	0	108.7	Y369 T370 N390 N391 K392	Y369-N388 PolarHBondContact O-ND2 3.35Å; T370-N388 PolarHBondContact OG1-ND2 3.15Å; T370-N388 VanDerWaalsContact OG1-ND2 3.16Å; N388-N390 PolarHBondContact O-N 3.25Å; N388-N390 VanDerWaalsContact O-N 3.14Å; N388-N390 PolarHBondContact OD1-N 3.08Å; N388-N391 PolarHBondContact O-N 2.96Å; N388-K392 PolarHBondContact N-O 3.46Å; N388-K392 VanDerWaalsContact N-O 3.11Å; N388-K392 WeakPolarHBondContact O-CA 3.34Å; N388-K392 PolarHBondContact O-N 2.84Å
389	E	82.5	Confident	80.9	Confident	73 Å²	73	72.8 Å²	72.8	34%	0.341	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-38.6	-174.1	-57.5	-176.2	121.8	0	0	113.3	N368 Y369 W387	N368-E389 PolarHBondContact N-OE2 3.02Å; Y369-E389 VanDerWaalsContact CE1-CD 3.42Å; Y369-E389 HydrophobicContact CE1-CG 3.99Å; Y369-E389 WeakPolarHBondContact CE1-OE1 3.47Å; Y369-E389 PolarHBondContact OH-OE1 3.11Å; W387-E389 HydrophobicContact CH2-CB 4.23Å; W387-E389 HydrophobicContact CH2-CG 3.74Å; W387-E389 HydrophobicContact CZ3-CB 4.37Å; W387-E389 HydrophobicContact CZ3-CG 3.63Å
390	N	83.5	Confident	79	Confident	134 Å²	134	72.4 Å²	72.4	72%	0.717	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-42.3	-179.2	-67.3	-46.2	0	0	0	113.5	N388	N388-N390 PolarHBondContact O-N 3.25Å; N388-N390 VanDerWaalsContact O-N 3.14Å; N388-N390 PolarHBondContact OD1-N 3.08Å
391	N	79.7	Confident	76.5	Confident	109 Å²	109	75.2 Å²	75.2	58%	0.583	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	-5	-169.5	-66.1	-11	0	0	0	113.3	N388 V394	N388-N391 PolarHBondContact O-N 2.96Å; N391-V394 HydrophobicContact CB-CG2 3.79Å
392	K	86.1	Confident	73.8	Confident	127 Å²	127	77.9 Å²	77.9	55%	0.552	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	53.1	-142.4	-166.3	-56.5	-175.9	176.6	-173.6	0	110.7	W387 N388	W387-K392 WeakPolarHBondContact CA-O 3.43Å; N388-K392 PolarHBondContact N-O 3.46Å; N388-K392 VanDerWaalsContact N-O 3.11Å; N388-K392 WeakPolarHBondContact O-CA 3.34Å; N388-K392 PolarHBondContact O-N 2.84Å
393	M	86.4	Confident	71	Confident	34 Å²	34	81.9 Å²	81.9	17%	0.167	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	116.3	179.1	-176.2	170.6	172.6	0	0	111.1	L138 Y141 V373 I384	L138-M393 HydrophobicContact CD1-CE 3.78Å; L138-M393 HydrophobicContact CD1-SD 3.92Å; Y141-M393 HydrophobicContact CD1-CE 3.63Å; Y141-M393 HydrophobicContact CD1-SD 4.24Å; Y141-M393 HydrophobicContact CD2-CE 4.12Å; Y141-M393 HydrophobicContact CD2-SD 4.37Å; Y141-M393 HydrophobicContact CE1-CE 3.97Å; Y141-M393 HydrophobicContact CE2-CE 4.45Å; Y141-M393 HydrophobicContact CG-CE 3.7Å; Y141-M393 HydrophobicContact CG-SD 3.84Å; V373-M393 HydrophobicContact CB-CE 4.43Å; V373-M393 HydrophobicContact CG1-CE 4.04Å; V373-M393 HydrophobicContact CG2-CE 4.33Å; I384-M393 HydrophobicContact CD1-CE 4.29Å
394	V	88.2	Confident	68.3	Low	50 Å²	50	83.5 Å²	83.5	30%	0.303	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	116.4	172.1	-177.3	0	0	0	0	108.5	G385 F386 N391 T396	G385-V394 VanDerWaalsContact CA-O 3.29Å; G385-V394 WeakPolarHBondContact CA-O 3.31Å; F386-V394 HydrophobicContact CD2-CB 4.43Å; F386-V394 HydrophobicContact CE1-CB 4.2Å; F386-V394 HydrophobicContact CE1-CG1 4.22Å; F386-V394 HydrophobicContact CE2-CB 3.99Å; F386-V394 HydrophobicContact CE2-CG2 4.04Å; F386-V394 HydrophobicContact CZ-CB 3.86Å; F386-V394 HydrophobicContact CZ-CG1 4.06Å; F386-V394 HydrophobicContact CZ-CG2 4.17Å; F386-V394 PolarHBondContact N-O 3.27Å; F386-V394 PolarHBondContact O-N 3.46Å; N391-V394 HydrophobicContact CB-CG2 3.79Å; V394-T396 PolarHBondContact O-N 3.38Å; V394-T396 PolarHBondContact O-OG1 2.73Å
395	V	85.9	Confident	65.7	Low	65 Å²	65	88.5 Å²	88.5	39%	0.394	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	121	173.4	-180	0	0	0	0	108.3	Y141 K397	Y141-V395 HydrophobicContact CD2-CG2 4.18Å; Y141-V395 HydrophobicContact CE2-CG2 3.5Å; V395-K397 HydrophobicContact CG1-CB 4.2Å; V395-K397 HydrophobicContact CG1-CD 4.37Å; V395-K397 HydrophobicContact CG1-CG 3.91Å
396	T	77.2	Confident	63.3	Low	68 Å²	68	95.7 Å²	95.7	42%	0.417	51%	0.506	S	S	.	.			trans	-117	39.3	-178.2	-33.3	0	0	0	0	110.2	I384 F386 V394 K398	I384-T396 PolarHBondContact O-N 3.22Å; F386-T396 WeakPolarHBondContact CD1-OG1 3.49Å; F386-T396 HydrophobicContact CE1-CG2 4.44Å; F386-T396 VanDerWaalsContact CE1-OG1 3.31Å; F386-T396 WeakPolarHBondContact CE1-OG1 3.49Å; V394-T396 PolarHBondContact O-N 3.38Å; V394-T396 PolarHBondContact O-OG1 2.73Å; T396-K398 VanDerWaalsContact C-N 3.35Å; T396-K398 PolarHBondContact O-N 3.35Å
397	K	60.2	Low	60.7	Low	118 Å²	118	94.7 Å²	94.7	51%	0.513	51%	0.511	S	S	.	.			trans	-58.6	103	163.9	-75.1	-171.3	173.7	-173.8	0	107.8	I384 V395 D399	I384-K397 PolarHBondContact O-N 2.85Å; V395-K397 HydrophobicContact CG1-CB 4.2Å; V395-K397 HydrophobicContact CG1-CD 4.37Å; V395-K397 HydrophobicContact CG1-CG 3.91Å; K397-D399 PolarHBondContact O-N 2.78Å; K397-D399 VanDerWaalsContact O-N 3.14Å
398	K	46.5	Very low	58.2	Low	177 Å²	177	96.3 Å²	96.3	77%	0.77	53%	0.533	S	S	*	.			trans	-51.6	113.6	141.7	-73.8	169.5	180	161.7	0	104.5	T396 I400	T396-K398 VanDerWaalsContact C-N 3.35Å; T396-K398 PolarHBondContact O-N 3.35Å; K398-I400 PolarHBondContact O-N 2.83Å; K398-I400 VanDerWaalsContact O-N 3.11Å
399	D	36.6	Very low	56.5	Low	121 Å²	121	101.6 Å²	101.6	65%	0.647	56%	0.561	S	S	*	*			trans	-55.7	122.8	171.6	-75.2	-41.9	0	0	0	107.6	K397 S401	K397-D399 PolarHBondContact O-N 2.78Å; K397-D399 VanDerWaalsContact O-N 3.14Å; D399-S401 PolarHBondContact O-N 3.47Å
400	I	41.8	Very low	55.7	Low	149 Å²	149	105.5 Å²	105.5	76%	0.764	58%	0.577	S	S	*	*	S	Bend	trans	-69.2	80.5	160	-62.9	175	0	0	0	104.6	K398	K398-I400 PolarHBondContact O-N 2.83Å; K398-I400 VanDerWaalsContact O-N 3.11Å
401	S	30.8	Very low	55.6	Low	66 Å²	66	102.3 Å²	102.3	46%	0.462	56%	0.562	S	S	.	*			trans	42.4	117.4	-174	48.6	0	0	0	0	116.2	D399 N403 D404	D399-S401 PolarHBondContact O-N 3.47Å; S401-N403 PolarHBondContact O-N 2.64Å; S401-D404 PolarHBondContact O-N 2.87Å
402	S	31.6	Very low	56.1	Low	109 Å²	109	97.8 Å²	97.8	76%	0.762	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	25.7	161.6	44	0	0	0	0	114.4
403	N	28.9	Very low	56.4	Low	155 Å²	155	92.1 Å²	92.1	83%	0.829	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.9	-3.7	168	-93.3	-21.3	0	0	0	112.4	S401 T405	S401-N403 PolarHBondContact O-N 2.64Å; N403-T405 PolarHBondContact O-N 3.38Å
404	D	33.1	Very low	56.8	Low	106 Å²	106	90.7 Å²	90.7	57%	0.567	51%	0.508	S	S	*	.	S	Bend	trans	-66.7	120.7	165.3	-115.4	-4.6	0	0	0	107.9	S401	S401-D404 PolarHBondContact O-N 2.87Å
405	T	35.1	Very low	57.2	Low	109 Å²	109	88.3 Å²	88.3	67%	0.669	49%	0.493	S	S	*	.			trans	-58	169	179.9	46.1	0	0	0	0	112.7	N403 G407	N403-T405 PolarHBondContact O-N 3.38Å; T405-G407 PolarHBondContact O-N 3.09Å
406	I	40.2	Very low	57.6	Low	152 Å²	152	85.2 Å²	85.2	78%	0.779	48%	0.475	S	S	*	.	S	Bend	trans	-70	54	175.8	-50.7	167.6	0	0	0	110.1
407	G	37.5	Very low	58.3	Low	32 Å²	32	82.7 Å²	82.7	33%	0.33	46%	0.458	S	S	.	.			trans	175.7	36	-144.9	0	0	0	0	0	114.4	T405	T405-G407 PolarHBondContact O-N 3.09Å
408	G	39.8	Very low	59.8	Low	51 Å²	51	81.1 Å²	81.1	53%	0.526	46%	0.455	S	S	.	.			trans	-52.3	146.4	148.4	0	0	0	0	0	109	K410	G408-K410 PolarHBondContact O-N 2.89Å
409	N	54.4	Low	61.9	Low	128 Å²	128	73.8 Å²	73.8	68%	0.684	42%	0.423	S	S	*	.	S	Bend	trans	-66.2	20.4	-163.4	-86.7	-65.6	0	0	0	117.2	T411 K456	N409-T411 PolarHBondContact O-N 2.82Å; N409-K456 PolarHBondContact OD1-NZ 3.24Å
410	K	65.3	Low	64.5	Low	155 Å²	155	69.6 Å²	69.6	67%	0.674	41%	0.406	S	S	*	.			trans	-75.4	109.7	179	-157.2	158.9	-169.6	159.6	0	110.2	G408 V412	G408-K410 PolarHBondContact O-N 2.89Å; K410-V412 PolarHBondContact O-N 3.11Å
411	T	83.1	Confident	66.9	Low	68 Å²	68	62.5 Å²	62.5	42%	0.417	37%	0.369	S	S	.	.			trans	-63.4	126.1	175.7	19.8	0	0	0	0	111.2	N409 V413 K456	N409-T411 PolarHBondContact O-N 2.82Å; T411-V413 PolarHBondContact O-N 3.3Å; T411-K456 HydrophobicContact CG2-CB 3.88Å
412	V	89.7	Confident	69.9	Low	14 Å²	14	59.3 Å²	59.3	9%	0.085	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	118.2	175.6	178.9	0	0	0	0	109	K410 V414 F455 K456 Y457 E458 D490 I491 L763	K410-V412 PolarHBondContact O-N 3.11Å; V412-V414 PolarHBondContact O-N 3.17Å; V412-F455 HydrophobicContact CB-CD2 3.84Å; V412-F455 HydrophobicContact CB-CE2 4.1Å; V412-F455 HydrophobicContact CG1-CD2 4.36Å; V412-F455 HydrophobicContact CG1-CE2 4.16Å; V412-F455 HydrophobicContact CG2-CB 3.95Å; V412-F455 HydrophobicContact CG2-CD2 3.62Å; V412-F455 HydrophobicContact CG2-CE2 4.24Å; V412-F455 HydrophobicContact CG2-CG 3.83Å; V412-K456 PolarHBondContact N-O 2.88Å; V412-Y457 CarbonylContact O-C 3.51Å; V412-Y457 VanDerWaalsContact O-CA 3.23Å; V412-Y457 WeakPolarHBondContact O-CA 3.49Å; V412-E458 PolarHBondContact O-N 3.12Å; V412-D490 HydrophobicContact CG1-CB 3.91Å; V412-I491 HydrophobicContact CG1-CG2 3.66Å; V412-L763 HydrophobicContact CG1-CD1 4.15Å
413	V	92	Very high	72.9	Confident	8 Å²	8	54.2 Å²	54.2	5%	0.048	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	107.6	177.5	179.9	0	0	0	0	108.9	T411 R460 A489 D490 I491	T411-V413 PolarHBondContact O-N 3.3Å; V413-R460 HydrophobicContact CG1-CB 4.45Å; V413-R460 HydrophobicContact CG1-CG 4.09Å; V413-A489 HydrophobicContact CG1-CB 4.12Å; V413-D490 WeakPolarHBondContact CB-OD2 3.5Å; V413-D490 PolarHBondContact N-OD2 3.22Å; V413-D490 PolarHBondContact O-N 3.27Å; V413-I491 PolarHBondContact O-N 2.89Å
414	V	95.3	Very high	75.9	Confident	3 Å²	3	49 Å²	49	2%	0.018	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	108.5	177.9	-179.1	0	0	0	0	108.3	V412 Y457 E458 L459 R460 I491 V493	V412-V414 PolarHBondContact O-N 3.17Å; V414-Y457 HydrophobicContact CG2-CD2 4.05Å; V414-Y457 HydrophobicContact CG2-CG 4.31Å; V414-E458 PolarHBondContact N-O 2.92Å; V414-L459 HydrophobicContact CB-CD2 4.07Å; V414-L459 HydrophobicContact CG1-CD2 3.85Å; V414-R460 PolarHBondContact O-N 2.81Å; V414-I491 WeakPolarHBondContact CA-O 3.28Å; V414-I491 HydrophobicContact CB-CG2 4.12Å; V414-I491 HydrophobicContact CG1-CG2 4.31Å; V414-I491 HydrophobicContact CG2-CG2 3.61Å; V414-V493 HydrophobicContact CG1-CB 3.85Å; V414-V493 HydrophobicContact CG1-CG2 3.88Å
415	T	95.9	Very high	78.7	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	140.8	171.2	-174.3	0	0	0	0	111.1	R460 M480 E483 L484 A489 I491 A492 V493	T415-R460 WeakPolarHBondContact CA-O 3.39Å; T415-M480 HydrophobicContact CG2-CB 4.11Å; T415-M480 HydrophobicContact CG2-CG 4.21Å; T415-E483 VanDerWaalsContact CB-OE2 3.31Å; T415-E483 WeakPolarHBondContact CB-OE2 3.46Å; T415-E483 HydrophobicContact CG2-CB 4.47Å; T415-E483 PolarHBondContact OG1-OE2 3.3Å; T415-L484 HydrophobicContact CG2-CD2 4.28Å; T415-A489 HydrophobicContact CG2-CB 3.63Å; T415-I491 PolarHBondContact N-O 2.78Å; T415-A492 HydrophobicContact CG2-CB 3.58Å; T415-A492 WeakPolarHBondContact O-CA 3.5Å; T415-V493 PolarHBondContact O-N 2.82Å
416	T	95	Very high	81.3	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.006	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	176.5	178.2	-159.3	0	0	0	0	112	V423 R460 I461 V462 V493	T416-V423 HydrophobicContact CG2-CG1 4.29Å; T416-V423 HydrophobicContact CG2-CG2 3.91Å; T416-V423 WeakPolarHBondContact OG1-CG2 3.47Å; T416-R460 PolarHBondContact N-O 2.69Å; T416-I461 HydrophobicContact CG2-CD1 3.79Å; T416-I461 WeakPolarHBondContact O-CA 3.48Å; T416-V462 PolarHBondContact O-N 3.13Å; T416-V493 WeakPolarHBondContact CB-O 3.24Å; T416-V493 PolarHBondContact OG1-O 3Å
417	I	92.4	Very high	83.4	Confident	14 Å²	14	49 Å²	49	7%	0.072	27%	0.267	C	S	.	.			trans	-127.9	141.3	-175.9	-172.4	161.8	0	0	0	110.9	E419 V462 G465 Y467 M480 A494 P495	I417-E419 PolarHBondContact O-N 3.17Å; I417-V462 HydrophobicContact CB-CG1 4.04Å; I417-V462 HydrophobicContact CD1-CG1 4.29Å; I417-V462 HydrophobicContact CG1-CG1 4.13Å; I417-G465 WeakPolarHBondContact CD1-O 3.35Å; I417-Y467 HydrophobicContact CD1-CE1 4.43Å; I417-Y467 HydrophobicContact CG2-CD1 4.47Å; I417-Y467 HydrophobicContact CG2-CE1 4.21Å; I417-M480 HydrophobicContact CB-CE 3.93Å; I417-M480 HydrophobicContact CB-SD 4.19Å; I417-M480 HydrophobicContact CG2-CE 3.65Å; I417-M480 HydrophobicContact CG2-SD 4.27Å; I417-A494 HydrophobicContact CG2-CB 4.42Å; I417-P495 HydrophobicContact CG2-CG 4.27Å
418	L	91.4	Very high	85.7	Confident	86 Å²	86	51.5 Å²	51.5	45%	0.45	27%	0.273	S	S	.	.			trans	-74.4	92.3	176.5	-67.5	176.8	0	0	0	110.6	V423 L425 Y438 I461	L418-V423 HydrophobicContact CD2-CG1 4.06Å; L418-L425 HydrophobicContact CD2-CG 4.45Å; L418-Y438 HydrophobicContact CD2-CD1 4.3Å; L418-Y438 HydrophobicContact CD2-CE1 4.26Å; L418-I461 HydrophobicContact CD1-CG2 4.4Å; L418-I461 HydrophobicContact CD2-CD1 3.75Å; L418-I461 HydrophobicContact CD2-CG1 4.3Å; L418-I461 HydrophobicContact CG-CD1 3.91Å; L418-I461 HydrophobicContact CG-CG1 4.16Å; L418-I461 HydrophobicContact CG-CG2 4.1Å
419	E	89.8	Confident	87.5	Confident	22 Å²	22	49.7 Å²	49.7	10%	0.103	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-138.4	126.3	173.1	-174.3	164.6	-140.1	0	0	110.5	I417 Y422 V423 Y467 T707 M729	I417-E419 PolarHBondContact O-N 3.17Å; E419-Y422 HydrophobicContact CB-CD2 4.27Å; E419-Y422 HydrophobicContact CG-CD2 4.08Å; E419-Y422 HydrophobicContact CG-CE2 4.43Å; E419-Y422 WeakPolarHBondContact O-CA 3.32Å; E419-Y422 WeakPolarHBondContact O-CB 3.34Å; E419-Y422 PolarHBondContact O-N 3.19Å; E419-V423 CarbonylContact C-O 3.54Å; E419-V423 PolarHBondContact N-O 3.26Å; E419-V423 VanDerWaalsContact N-O 3.11Å; E419-V423 PolarHBondContact O-N 3.17Å; E419-Y467 VanDerWaalsContact CD-OH 3.22Å; E419-Y467 PolarHBondContact OE1-OH 2.92Å; E419-Y467 PolarHBondContact OE2-OH 3.18Å; E419-T707 PolarHBondContact OE1-OG1 3.01Å; E419-M729 HydrophobicContact CG-CE 4.26Å
420	A	90.6	Very high	88.8	Confident	33 Å²	33	51.6 Å²	51.6	27%	0.273	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	133.2	179.7	0	0	0	0	0	111.1	M424 Y732	A420-M424 HydrophobicContact CB-CG 3.7Å; A420-M424 HydrophobicContact CB-SD 3.52Å; A420-M424 VanDerWaalsContact CB-SD 3.52Å; A420-Y732 HydrophobicContact CB-CE1 3.89Å; A420-Y732 WeakPolarHBondContact O-CE1 3.48Å
421	P	93.2	Very high	89.6	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	cis	-98.3	12.4	7.1	38.7	-33.9	0	0	0	114.5	M424 G440 Y441 Y732 W787 W788	P421-M424 HydrophobicContact CB-CE 4.33Å; P421-G440 CarbonylContact O-C 3.53Å; P421-G440 WeakPolarHBondContact O-CA 3.24Å; P421-Y441 PolarHBondContact O-N 3.35Å; P421-Y732 HydrophobicContact CB-CD2 4.09Å; P421-Y732 HydrophobicContact CB-CE2 3.52Å; P421-Y732 HydrophobicContact CG-CD2 3.63Å; P421-Y732 HydrophobicContact CG-CE2 3.62Å; P421-Y732 HydrophobicContact CG-CG 4.11Å; P421-W787 HydrophobicContact CB-CB 4.25Å; P421-W787 HydrophobicContact CB-CE3 4.46Å; P421-W787 HydrophobicContact CG-CB 4.47Å; P421-W788 HydrophobicContact CG-CD2 4.11Å; P421-W788 HydrophobicContact CG-CE3 4.01Å; P421-W788 HydrophobicContact CG-CH2 3.64Å; P421-W788 HydrophobicContact CG-CZ2 3.72Å; P421-W788 HydrophobicContact CG-CZ3 3.79Å
422	Y	93.9	Very high	89.5	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-52	-175.1	-53.7	-78.7	0	0	0	112.4	E419 G440 Y441 C442 P495 T728 Y753 W788	E419-Y422 HydrophobicContact CB-CD2 4.27Å; E419-Y422 HydrophobicContact CG-CD2 4.08Å; E419-Y422 HydrophobicContact CG-CE2 4.43Å; E419-Y422 WeakPolarHBondContact O-CA 3.32Å; E419-Y422 WeakPolarHBondContact O-CB 3.34Å; E419-Y422 PolarHBondContact O-N 3.19Å; Y422-G440 CarbonylContact O-C 3.58Å; Y422-G440 VanDerWaalsContact O-C 3.25Å; Y422-G440 WeakPolarHBondContact O-CA 3.43Å; Y422-Y441 PolarHBondContact O-N 2.9Å; Y422-Y441 VanDerWaalsContact O-N 3.14Å; Y422-C442 WeakPolarHBondContact O-CB 3.47Å; Y422-C442 PolarHBondContact O-N 3.47Å; Y422-P495 HydrophobicContact CD1-CB 3.99Å; Y422-P495 HydrophobicContact CD1-CG 4.23Å; Y422-P495 HydrophobicContact CD2-CB 3.96Å; Y422-P495 HydrophobicContact CD2-CG 3.66Å; Y422-P495 HydrophobicContact CE1-CB 3.96Å; Y422-P495 HydrophobicContact CE2-CB 3.93Å; Y422-P495 HydrophobicContact CE2-CG 4.08Å; Y422-P495 HydrophobicContact CG-CB 3.98Å; Y422-P495 HydrophobicContact CG-CG 3.73Å; Y422-T728 VanDerWaalsContact OH-CB 3.26Å; Y422-T728 WeakPolarHBondContact OH-CB 3.29Å; Y422-T728 PolarHBondContact OH-OG1 2.92Å; Y422-Y753 HydrophobicContact CE1-CD2 4.37Å; Y422-Y753 AromaticContact CE1-CE2 3.8Å; Y422-Y753 HydrophobicContact CE1-CE2 3.8Å; Y422-Y753 AromaticContact CZ-CE2 3.79Å; Y422-Y753 WeakPolarHBondContact OH-CE2 3.4Å; Y422-Y753 PolarHBondContact OH-OH 3.4Å; Y422-W788 HydrophobicContact CD1-CH2 4.05Å; Y422-W788 AromaticContact CE1-CH2 3.55Å; Y422-W788 HydrophobicContact CE1-CH2 3.55Å; Y422-W788 AromaticContact CE1-CZ2 3.84Å; Y422-W788 HydrophobicContact CE1-CZ2 3.84Å; Y422-W788 AromaticContact CZ-CZ2 3.87Å
423	V	94.9	Very high	88.8	Confident	2 Å²	2	55.7 Å²	55.7	1%	0.012	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-143.8	123.5	172.8	-171.4	0	0	0	0	109	T416 L418 E419 Y438 C442 V443	T416-V423 HydrophobicContact CG2-CG1 4.29Å; T416-V423 HydrophobicContact CG2-CG2 3.91Å; T416-V423 WeakPolarHBondContact OG1-CG2 3.47Å; L418-V423 HydrophobicContact CD2-CG1 4.06Å; E419-V423 CarbonylContact C-O 3.54Å; E419-V423 PolarHBondContact N-O 3.26Å; E419-V423 VanDerWaalsContact N-O 3.11Å; E419-V423 PolarHBondContact O-N 3.17Å; V423-Y438 HydrophobicContact CG1-CD1 4.09Å; V423-Y438 HydrophobicContact CG1-CG 4.29Å; V423-C442 HydrophobicContact CG2-CB 3.84Å; V423-V443 HydrophobicContact CG1-CG2 4.06Å; V423-V443 HydrophobicContact CG2-CG2 4.28Å
424	M	92	Very high	88.3	Confident	45 Å²	45	60.3 Å²	60.3	22%	0.222	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	155.2	177.6	-58.8	177.8	-74.5	0	0	108.9	A420 P421 Y438 E439 W787	A420-M424 HydrophobicContact CB-CG 3.7Å; A420-M424 HydrophobicContact CB-SD 3.52Å; A420-M424 VanDerWaalsContact CB-SD 3.52Å; P421-M424 HydrophobicContact CB-CE 4.33Å; M424-Y438 CarbonylContact O-C 3.49Å; M424-Y438 VanDerWaalsContact O-CA 3.31Å; M424-Y438 WeakPolarHBondContact O-CA 3.24Å; M424-E439 HydrophobicContact CB-CG 4.47Å; M424-E439 HydrophobicContact CE-CG 4.39Å; M424-E439 PolarHBondContact N-O 3.23Å; M424-E439 PolarHBondContact O-N 3.21Å; M424-W787 HydrophobicContact CE-CE3 3.93Å; M424-W787 HydrophobicContact CE-CZ3 3.52Å
425	L	90.6	Very high	88	Confident	99 Å²	99	62 Å²	62	52%	0.518	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	135.5	164.7	-69.9	167.5	0	0	0	109	L418 A429 Y438	L418-L425 HydrophobicContact CD2-CG 4.45Å; L425-A429 HydrophobicContact CB-CB 4.35Å; L425-A429 HydrophobicContact CD2-CB 4.27Å; L425-Y438 HydrophobicContact CD2-CD1 3.83Å; L425-Y438 HydrophobicContact CD2-CE1 3.66Å
426	K	89.8	Confident	87.5	Confident	61 Å²	61	67.6 Å²	67.6	27%	0.265	34%	0.344	S	S	.	.			trans	-62.2	151.1	169.7	-70.2	-176	-173.3	163.7	0	109.8	N428 A429 F432 E436 R437 Y438 E439	K426-N428 PolarHBondContact O-N 2.6Å; K426-A429 WeakPolarHBondContact O-CB 3.16Å; K426-A429 PolarHBondContact O-N 3.36Å; K426-F432 HydrophobicContact CD-CD2 4.48Å; K426-F432 HydrophobicContact CD-CE2 4.45Å; K426-E436 WeakPolarHBondContact CD-O 3.29Å; K426-E436 WeakPolarHBondContact CE-O 3.35Å; K426-E436 PolarHBondContact NZ-O 3.47Å; K426-R437 PolarHBondContact N-O 3.26Å; K426-Y438 WeakPolarHBondContact CE-O 3.47Å; K426-E439 HydrophobicContact CG-CB 3.89Å; K426-E439 HydrophobicContact CG-CG 4.03Å
427	K	84.5	Confident	87.3	Confident	207 Å²	207	71.9 Å²	71.9	90%	0.9	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-22.9	177.2	-66.3	-175.4	179.1	-179.4	0	114.5
428	N	86.6	Confident	87.3	Confident	84 Å²	84	72.3 Å²	72.3	45%	0.449	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	29.9	179.3	-64	39.9	0	0	0	111.3	K426 D430 Q431 F432	K426-N428 PolarHBondContact O-N 2.6Å; N428-D430 PolarHBondContact O-N 3.4Å; N428-Q431 HydrophobicContact CB-CG 4.48Å; N428-Q431 PolarHBondContact ND2-OE1 2.76Å; N428-Q431 WeakPolarHBondContact O-CB 3.49Å; N428-Q431 PolarHBondContact O-N 3.34Å; N428-F432 HydrophobicContact CB-CE2 4.15Å; N428-F432 WeakPolarHBondContact O-CD2 3.25Å
429	A	78.1	Confident	87.4	Confident	13 Å²	13	71 Å²	71	11%	0.107	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-51.8	-35.2	-171.8	0	0	0	0	0	113.9	L425 K426 Q431 F432 R437	L425-A429 HydrophobicContact CB-CB 4.35Å; L425-A429 HydrophobicContact CD2-CB 4.27Å; K426-A429 WeakPolarHBondContact O-CB 3.16Å; K426-A429 PolarHBondContact O-N 3.36Å; A429-Q431 PolarHBondContact O-N 3Å; A429-Q431 VanDerWaalsContact O-N 3.16Å; A429-F432 PolarHBondContact O-N 2.98Å; A429-F432 VanDerWaalsContact O-N 3.13Å; A429-R437 HydrophobicContact CB-CB 4.4Å; A429-R437 WeakPolarHBondContact O-CG 3.42Å
430	D	80.8	Confident	87.6	Confident	168 Å²	168	70 Å²	70	90%	0.898	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-67.5	-12.2	179.7	-47.2	-52.5	0	0	0	114.2	N428	N428-D430 PolarHBondContact O-N 3.4Å
431	Q	81.3	Confident	87.9	Confident	144 Å²	144	68.4 Å²	68.4	67%	0.673	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-93.2	-8.4	176.3	-61	-177.8	-28.4	0	0	113.2	N428 A429	N428-Q431 HydrophobicContact CB-CG 4.48Å; N428-Q431 PolarHBondContact ND2-OE1 2.76Å; N428-Q431 WeakPolarHBondContact O-CB 3.49Å; N428-Q431 PolarHBondContact O-N 3.34Å; A429-Q431 PolarHBondContact O-N 3Å; A429-Q431 VanDerWaalsContact O-N 3.16Å
432	F	80.9	Confident	88	Confident	73 Å²	73	68.5 Å²	68.5	32%	0.32	34%	0.336	S	S	.	.			trans	-114.8	154.1	-177.2	-68.1	-80.6	0	0	0	111.3	K426 N428 A429 E436 R437	K426-F432 HydrophobicContact CD-CD2 4.48Å; K426-F432 HydrophobicContact CD-CE2 4.45Å; N428-F432 HydrophobicContact CB-CE2 4.15Å; N428-F432 WeakPolarHBondContact O-CD2 3.25Å; A429-F432 PolarHBondContact O-N 2.98Å; A429-F432 VanDerWaalsContact O-N 3.13Å; F432-E436 HydrophobicContact CB-CB 4.07Å; F432-E436 HydrophobicContact CD1-CB 3.87Å; F432-E436 VanDerWaalsContact CD1-OE2 3.31Å; F432-E436 WeakPolarHBondContact CD1-OE2 3.22Å; F432-E436 HydrophobicContact CG-CB 4.23Å; F432-R437 HydrophobicContact CB-CG 3.87Å; F432-R437 VanDerWaalsContact O-CD 3.28Å; F432-R437 WeakPolarHBondContact O-CD 3.28Å; F432-R437 WeakPolarHBondContact O-CG 3.45Å
433	V	76.7	Confident	88.1	Confident	107 Å²	107	69.4 Å²	69.4	65%	0.648	34%	0.341	S	S	*	.			trans	-111.9	159.3	178.2	-170	0	0	0	0	109.3	N435 E436	V433-N435 PolarHBondContact O-N 3.1Å; V433-E436 PolarHBondContact O-N 3.46Å
434	D	81.4	Confident	88.1	Confident	105 Å²	105	71.1 Å²	71.1	56%	0.561	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	50.1	-123.6	175.6	-55.9	-30.8	0	0	0	114.6	R437	D434-R437 PolarHBondContact O-NE 3.5Å; D434-R437 PolarHBondContact O-NH2 3.05Å
435	N	87.4	Confident	88.2	Confident	37 Å²	37	69 Å²	69	20%	0.198	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-72.9	-28.2	-173.4	-66.5	-21.7	0	0	0	112.8	V433 R437 Y438 Y457 L459	V433-N435 PolarHBondContact O-N 3.1Å; N435-R437 PolarHBondContact O-N 3.21Å; N435-R437 VanDerWaalsContact O-N 3.14Å; N435-Y438 PolarHBondContact O-N 3.05Å; N435-Y457 PolarHBondContact ND2-O 3.17Å; N435-L459 HydrophobicContact CB-CD1 4.16Å; N435-L459 PolarHBondContact OD1-N 3.44Å
436	E	87.4	Confident	88.4	Confident	119 Å²	119	64.5 Å²	64.5	56%	0.556	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-70.9	-10.2	-172.4	-66.6	-159.3	164.6	0	0	113.7	K426 F432 V433 Y438	K426-E436 WeakPolarHBondContact CD-O 3.29Å; K426-E436 WeakPolarHBondContact CE-O 3.35Å; K426-E436 PolarHBondContact NZ-O 3.47Å; F432-E436 HydrophobicContact CB-CB 4.07Å; F432-E436 HydrophobicContact CD1-CB 3.87Å; F432-E436 VanDerWaalsContact CD1-OE2 3.31Å; F432-E436 WeakPolarHBondContact CD1-OE2 3.22Å; F432-E436 HydrophobicContact CG-CB 4.23Å; V433-E436 PolarHBondContact O-N 3.46Å; E436-Y438 PolarHBondContact O-N 3.16Å
437	R	89.8	Confident	88.6	Confident	90 Å²	90	63.4 Å²	63.4	34%	0.34	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-66.9	-22.4	173.7	-63	178.3	-69.4	175.4	-1.4	113.1	K426 A429 F432 D434 N435	K426-R437 PolarHBondContact N-O 3.26Å; A429-R437 HydrophobicContact CB-CB 4.4Å; A429-R437 WeakPolarHBondContact O-CG 3.42Å; F432-R437 HydrophobicContact CB-CG 3.87Å; F432-R437 VanDerWaalsContact O-CD 3.28Å; F432-R437 WeakPolarHBondContact O-CD 3.28Å; F432-R437 WeakPolarHBondContact O-CG 3.45Å; D434-R437 PolarHBondContact O-NE 3.5Å; D434-R437 PolarHBondContact O-NH2 3.05Å; N435-R437 PolarHBondContact O-N 3.21Å; N435-R437 VanDerWaalsContact O-N 3.14Å
438	Y	93.1	Very high	89.1	Confident	24 Å²	24	55.7 Å²	55.7	9%	0.094	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	150.3	-176.1	-51.6	-69.2	0	0	0	112.3	L418 V423 M424 L425 K426 N435 E436 L459 I461	L418-Y438 HydrophobicContact CD2-CD1 4.3Å; L418-Y438 HydrophobicContact CD2-CE1 4.26Å; V423-Y438 HydrophobicContact CG1-CD1 4.09Å; V423-Y438 HydrophobicContact CG1-CG 4.29Å; M424-Y438 CarbonylContact O-C 3.49Å; M424-Y438 VanDerWaalsContact O-CA 3.31Å; M424-Y438 WeakPolarHBondContact O-CA 3.24Å; L425-Y438 HydrophobicContact CD2-CD1 3.83Å; L425-Y438 HydrophobicContact CD2-CE1 3.66Å; K426-Y438 WeakPolarHBondContact CE-O 3.47Å; N435-Y438 PolarHBondContact O-N 3.05Å; E436-Y438 PolarHBondContact O-N 3.16Å; Y438-L459 HydrophobicContact CD2-CB 3.94Å; Y438-L459 HydrophobicContact CD2-CD1 3.9Å; Y438-L459 HydrophobicContact CE2-CB 3.98Å; Y438-I461 HydrophobicContact CD1-CD1 4.46Å; Y438-I461 HydrophobicContact CE1-CD1 3.85Å; Y438-I461 HydrophobicContact CE1-CG1 3.99Å
439	E	93.4	Very high	89.4	Confident	58 Å²	58	51.7 Å²	51.7	27%	0.271	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	148	166.5	75.3	169.4	118.6	0	0	110.6	M424 K426 W787 K791	M424-E439 HydrophobicContact CB-CG 4.47Å; M424-E439 HydrophobicContact CE-CG 4.39Å; M424-E439 PolarHBondContact N-O 3.23Å; M424-E439 PolarHBondContact O-N 3.21Å; K426-E439 HydrophobicContact CG-CB 3.89Å; K426-E439 HydrophobicContact CG-CG 4.03Å; E439-W787 HydrophobicContact CB-CH2 3.94Å; E439-W787 HydrophobicContact CG-CH2 4.02Å; E439-W787 HydrophobicContact CG-CZ3 4.34Å; E439-W787 VanDerWaalsContact OE2-CH2 3.3Å; E439-W787 WeakPolarHBondContact OE2-CH2 3.44Å; E439-K791 IonicContact OE2-NZ 3.5Å; E439-K791 PolarHBondContact OE2-NZ 3.22Å
440	G	94.1	Very high	90	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.263	C	S	.	.	S	Bend	trans	153.9	175.5	176.6	0	0	0	0	0	113.7	P421 Y422 C442 V443 D444 W787	P421-G440 CarbonylContact O-C 3.53Å; P421-G440 WeakPolarHBondContact O-CA 3.24Å; Y422-G440 CarbonylContact O-C 3.58Å; Y422-G440 VanDerWaalsContact O-C 3.25Å; Y422-G440 WeakPolarHBondContact O-CA 3.43Å; G440-C442 PolarHBondContact O-N 3.15Å; G440-V443 WeakPolarHBondContact O-CB 3.46Å; G440-V443 PolarHBondContact O-N 3.26Å; G440-V443 VanDerWaalsContact O-N 3.15Å; G440-D444 PolarHBondContact O-N 2.88Å; G440-W787 VanDerWaalsContact C-CE2 3.44Å; G440-W787 VanDerWaalsContact CA-CH2 3.48Å; G440-W787 VanDerWaalsContact N-CH2 3.25Å
441	Y	95.4	Very high	90.5	Very high	1 Å²	1	50 Å²	50	0%	0.004	25%	0.249	C	C	.	.	H	α-helix	trans	-58.3	-43.5	180	178.5	-83.3	0	0	0	112.7	P421 Y422 V443 L445 F512 M513 L783 W788	P421-Y441 PolarHBondContact O-N 3.35Å; Y422-Y441 PolarHBondContact O-N 2.9Å; Y422-Y441 VanDerWaalsContact O-N 3.14Å; Y441-V443 VanDerWaalsContact C-N 3.31Å; Y441-V443 PolarHBondContact O-N 2.88Å; Y441-L445 HydrophobicContact CE1-CD2 3.97Å; Y441-L445 VanDerWaalsContact O-CB 3.25Å; Y441-L445 WeakPolarHBondContact O-CB 3.41Å; Y441-L445 PolarHBondContact O-N 2.93Å; Y441-F512 HydrophobicContact CD1-CE2 4.46Å; Y441-F512 AromaticContact CE1-CD2 3.85Å; Y441-F512 HydrophobicContact CE1-CD2 3.85Å; Y441-F512 AromaticContact CE1-CE2 3.63Å; Y441-F512 HydrophobicContact CE1-CE2 3.63Å; Y441-M513 HydrophobicContact CD2-CE 4.34Å; Y441-M513 HydrophobicContact CE1-CE 3.94Å; Y441-M513 HydrophobicContact CE2-CE 3.71Å; Y441-L783 HydrophobicContact CD2-CB 3.77Å; Y441-L783 HydrophobicContact CE2-CB 3.47Å; Y441-L783 VanDerWaalsContact CE2-CB 3.47Å; Y441-W788 HydrophobicContact CD2-CH2 4.45Å; Y441-W788 AromaticContact CD2-CZ3 3.7Å; Y441-W788 HydrophobicContact CD2-CZ3 3.7Å; Y441-W788 HydrophobicContact CE2-CZ3 4.46Å; Y441-W788 HydrophobicContact CG-CH2 4.32Å; Y441-W788 AromaticContact CG-CZ3 3.9Å; Y441-W788 HydrophobicContact CG-CZ3 3.9Å
442	C	95.6	Very high	90.8	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.014	23%	0.231	C	C	.	.	H	α-helix	trans	-73.7	-23.3	179	-71.8	0	0	0	0	112.6	Y422 V423 G440 A446 V493	Y422-C442 WeakPolarHBondContact O-CB 3.47Å; Y422-C442 PolarHBondContact O-N 3.47Å; V423-C442 HydrophobicContact CG2-CB 3.84Å; G440-C442 PolarHBondContact O-N 3.15Å; C442-A446 VanDerWaalsContact O-CB 3.26Å; C442-A446 WeakPolarHBondContact O-CB 3.34Å; C442-A446 PolarHBondContact O-N 3Å; C442-V493 HydrophobicContact CB-CG1 4.27Å
443	V	95.6	Very high	91.1	Very high	18 Å²	18	43.8 Å²	43.8	11%	0.109	22%	0.222	C	C	.	.	H	α-helix	trans	-71.9	-48.3	173.8	-175.9	0	0	0	0	110.5	V423 G440 Y441 L445 A446 A447 L459	V423-V443 HydrophobicContact CG1-CG2 4.06Å; V423-V443 HydrophobicContact CG2-CG2 4.28Å; G440-V443 WeakPolarHBondContact O-CB 3.46Å; G440-V443 PolarHBondContact O-N 3.26Å; G440-V443 VanDerWaalsContact O-N 3.15Å; Y441-V443 VanDerWaalsContact C-N 3.31Å; Y441-V443 PolarHBondContact O-N 2.88Å; V443-L445 VanDerWaalsContact C-N 3.34Å; V443-L445 PolarHBondContact O-N 3.04Å; V443-A446 PolarHBondContact O-N 3.03Å; V443-A447 PolarHBondContact O-N 3.29Å; V443-L459 HydrophobicContact CG1-CD1 4.14Å; V443-L459 HydrophobicContact CG2-CD1 4.45Å
444	D	95.1	Very high	91.5	Very high	39 Å²	39	41.3 Å²	41.3	21%	0.209	22%	0.219	C	C	.	.	H	α-helix	trans	-59.8	-44.5	173.2	-73.9	-14.4	0	0	0	111.3	G440 A447 E448 L783 K786 W787	G440-D444 PolarHBondContact O-N 2.88Å; D444-A447 PolarHBondContact O-N 3.09Å; D444-E448 PolarHBondContact O-N 3.41Å; D444-E448 VanDerWaalsContact O-N 3.13Å; D444-L783 HydrophobicContact CB-CD1 4.28Å; D444-L783 HydrophobicContact CB-CD2 3.74Å; D444-L783 WeakPolarHBondContact OD2-CD2 3.47Å; D444-K786 VanDerWaalsContact CG-NZ 3.34Å; D444-K786 IonicContact OD1-NZ 2.86Å; D444-K786 PolarHBondContact OD1-NZ 2.93Å; D444-K786 WeakPolarHBondContact OD2-CE 3.41Å; D444-K786 IonicContact OD2-NZ 2.76Å; D444-K786 PolarHBondContact OD2-NZ 2.92Å; D444-W787 PolarHBondContact OD2-NE1 2.96Å
445	L	95.2	Very high	91.7	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-62.9	-43.9	179.2	178.4	60	0	0	0	111.8	Y441 V443 A447 E448 I449 V493 F512 L774 L780	Y441-L445 HydrophobicContact CE1-CD2 3.97Å; Y441-L445 VanDerWaalsContact O-CB 3.25Å; Y441-L445 WeakPolarHBondContact O-CB 3.41Å; Y441-L445 PolarHBondContact O-N 2.93Å; V443-L445 VanDerWaalsContact C-N 3.34Å; V443-L445 PolarHBondContact O-N 3.04Å; L445-A447 VanDerWaalsContact C-N 3.3Å; L445-A447 PolarHBondContact O-N 3.43Å; L445-E448 PolarHBondContact O-N 2.86Å; L445-I449 HydrophobicContact CD1-CD1 4Å; L445-I449 HydrophobicContact CD1-CG1 4.21Å; L445-I449 HydrophobicContact CG-CD1 3.76Å; L445-I449 HydrophobicContact CG-CG1 4.46Å; L445-I449 VanDerWaalsContact O-CD1 3.31Å; L445-I449 WeakPolarHBondContact O-CD1 3.39Å; L445-I449 VanDerWaalsContact O-CG1 3.23Å; L445-I449 WeakPolarHBondContact O-CG1 3.42Å; L445-I449 PolarHBondContact O-N 3.39Å; L445-V493 HydrophobicContact CD2-CG1 4.29Å; L445-V493 HydrophobicContact CG-CG1 4.37Å; L445-F512 HydrophobicContact CD2-CD1 4.32Å; L445-F512 HydrophobicContact CD2-CD2 3.97Å; L445-F512 HydrophobicContact CD2-CE1 4.43Å; L445-F512 HydrophobicContact CD2-CE2 4.12Å; L445-F512 HydrophobicContact CD2-CG 4.08Å; L445-F512 HydrophobicContact CD2-CZ 4.34Å; L445-L774 HydrophobicContact CD1-CD1 4Å; L445-L780 HydrophobicContact CD1-CD2 3.79Å
446	A	94.6	Very high	91.8	Very high	4 Å²	4	41.8 Å²	41.8	3%	0.033	21%	0.214	C	C	.	.	H	α-helix	trans	-59.4	-40.5	176.1	0	0	0	0	0	112.1	C442 V443 I449 A450 Y457 L459 V493	C442-A446 VanDerWaalsContact O-CB 3.26Å; C442-A446 WeakPolarHBondContact O-CB 3.34Å; C442-A446 PolarHBondContact O-N 3Å; V443-A446 PolarHBondContact O-N 3.03Å; A446-I449 PolarHBondContact O-N 3.33Å; A446-A450 VanDerWaalsContact O-CB 3.31Å; A446-A450 WeakPolarHBondContact O-CB 3.44Å; A446-A450 PolarHBondContact O-N 2.99Å; A446-Y457 HydrophobicContact CB-CE2 4.19Å; A446-L459 HydrophobicContact CB-CD2 4.44Å; A446-V493 HydrophobicContact CB-CG1 4.24Å
447	A	94.3	Very high	92	Very high	39 Å²	39	38.3 Å²	38.3	32%	0.322	20%	0.196	S	C	.	.	H	α-helix	trans	-63.8	-43.8	176.8	0	0	0	0	0	112.3	V443 D444 L445 A450 K451 Y457	V443-A447 PolarHBondContact O-N 3.29Å; D444-A447 PolarHBondContact O-N 3.09Å; L445-A447 VanDerWaalsContact C-N 3.3Å; L445-A447 PolarHBondContact O-N 3.43Å; A447-A450 PolarHBondContact O-N 3.25Å; A447-K451 WeakPolarHBondContact O-CB 3.29Å; A447-K451 PolarHBondContact O-N 3.02Å; A447-Y457 WeakPolarHBondContact CA-OH 3.5Å
448	E	93.9	Very high	92.2	Very high	44 Å²	44	36.8 Å²	36.8	21%	0.206	19%	0.193	C	C	.	.	H	α-helix	trans	-69.8	-35.9	178.1	-72.2	-67	158.2	0	0	112.8	D444 L445 K451 H452 L774 L779	D444-E448 PolarHBondContact O-N 3.41Å; D444-E448 VanDerWaalsContact O-N 3.13Å; L445-E448 PolarHBondContact O-N 2.86Å; E448-K451 IonicContact OE1-NZ 3.64Å; E448-K451 PolarHBondContact OE1-NZ 2.84Å; E448-K451 WeakPolarHBondContact OE2-CD 3.38Å; E448-K451 IonicContact OE2-NZ 2.75Å; E448-K451 PolarHBondContact OE2-NZ 2.89Å; E448-H452 WeakPolarHBondContact O-CB 3.4Å; E448-H452 PolarHBondContact O-CD2 3.43Å; E448-H452 PolarHBondContact O-N 3.04Å; E448-L774 HydrophobicContact CB-CD1 4.2Å; E448-L774 HydrophobicContact CB-CD2 4.25Å; E448-L779 HydrophobicContact CB-CD2 4.43Å; E448-L779 HydrophobicContact CG-CD2 3.81Å
449	I	93.2	Very high	92.2	Very high	1 Å²	1	36 Å²	36	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-63.1	-49.8	171.5	-63.4	154.4	0	0	0	110.5	L445 A446 K451 H452 C453 F455 V493 I755 V767 L774	L445-I449 HydrophobicContact CD1-CD1 4Å; L445-I449 HydrophobicContact CD1-CG1 4.21Å; L445-I449 HydrophobicContact CG-CD1 3.76Å; L445-I449 HydrophobicContact CG-CG1 4.46Å; L445-I449 VanDerWaalsContact O-CD1 3.31Å; L445-I449 WeakPolarHBondContact O-CD1 3.39Å; L445-I449 VanDerWaalsContact O-CG1 3.23Å; L445-I449 WeakPolarHBondContact O-CG1 3.42Å; L445-I449 PolarHBondContact O-N 3.39Å; A446-I449 PolarHBondContact O-N 3.33Å; I449-K451 VanDerWaalsContact C-N 3.29Å; I449-K451 PolarHBondContact O-N 3.42Å; I449-H452 PolarHBondContact O-N 3.4Å; I449-H452 VanDerWaalsContact O-N 3.11Å; I449-C453 WeakPolarHBondContact O-CB 3.3Å; I449-C453 PolarHBondContact O-N 3.35Å; I449-C453 PolarHBondContact O-SG 2.77Å; I449-F455 HydrophobicContact CG2-CE1 4.25Å; I449-F455 HydrophobicContact CG2-CZ 4.01Å; I449-V493 HydrophobicContact CD1-CG1 4.38Å; I449-V493 HydrophobicContact CD1-CG2 4.27Å; I449-I755 HydrophobicContact CD1-CD1 3.42Å; I449-I755 VanDerWaalsContact CD1-CD1 3.42Å; I449-I755 HydrophobicContact CD1-CG1 4.44Å; I449-I755 HydrophobicContact CG1-CD1 4.26Å; I449-V767 HydrophobicContact CG2-CG1 4.44Å; I449-V767 HydrophobicContact CG2-CG2 4.08Å; I449-L774 HydrophobicContact CG1-CD1 4.44Å
450	A	91.9	Very high	92.1	Very high	7 Å²	7	38.8 Å²	38.8	6%	0.058	20%	0.198	C	C	.	.	H	α-helix	trans	-59.2	-41.5	179.8	0	0	0	0	0	111.9	A446 A447 C453 G454 F455 Y457	A446-A450 VanDerWaalsContact O-CB 3.31Å; A446-A450 WeakPolarHBondContact O-CB 3.44Å; A446-A450 PolarHBondContact O-N 2.99Å; A447-A450 PolarHBondContact O-N 3.25Å; A450-C453 PolarHBondContact O-N 3.07Å; A450-G454 WeakPolarHBondContact O-CA 3.44Å; A450-G454 PolarHBondContact O-N 2.91Å; A450-F455 HydrophobicContact CB-CD2 4.08Å; A450-F455 HydrophobicContact CB-CE2 3.82Å; A450-F455 HydrophobicContact CB-CZ 4.27Å; A450-F455 PolarHBondContact O-N 2.91Å; A450-Y457 HydrophobicContact CB-CD1 3.41Å; A450-Y457 VanDerWaalsContact CB-CD1 3.41Å; A450-Y457 HydrophobicContact CB-CE1 3.58Å; A450-Y457 HydrophobicContact CB-CG 4.45Å
451	K	91.3	Very high	92.1	Very high	139 Å²	139	41.3 Å²	41.3	60%	0.604	21%	0.211	S	C	*	.	H	α-helix	trans	-64.3	-36.1	173.8	173	-178.6	161.5	-143.7	0	113.5	A447 E448 I449	A447-K451 WeakPolarHBondContact O-CB 3.29Å; A447-K451 PolarHBondContact O-N 3.02Å; E448-K451 IonicContact OE1-NZ 3.64Å; E448-K451 PolarHBondContact OE1-NZ 2.84Å; E448-K451 WeakPolarHBondContact OE2-CD 3.38Å; E448-K451 IonicContact OE2-NZ 2.75Å; E448-K451 PolarHBondContact OE2-NZ 2.89Å; I449-K451 VanDerWaalsContact C-N 3.29Å; I449-K451 PolarHBondContact O-N 3.42Å
452	H	87.7	Confident	92	Very high	66 Å²	66	41.5 Å²	41.5	31%	0.306	21%	0.212	S	C	.	.	H	α-helix	trans	-78.9	-29.6	176.1	-86.9	-135.8	0	0	0	113.7	E448 I449 A770	E448-H452 WeakPolarHBondContact O-CB 3.4Å; E448-H452 PolarHBondContact O-CD2 3.43Å; E448-H452 PolarHBondContact O-N 3.04Å; I449-H452 PolarHBondContact O-N 3.4Å; I449-H452 VanDerWaalsContact O-N 3.11Å; H452-A770 HydrophobicContact CB-CB 4Å
453	C	86.9	Confident	91.6	Very high	19 Å²	19	44.9 Å²	44.9	13%	0.128	25%	0.248	C	C	.	.	H	α-helix	trans	-100.1	-14.7	-176.5	-63.2	0	0	0	0	114.4	I449 A450 F455	I449-C453 WeakPolarHBondContact O-CB 3.3Å; I449-C453 PolarHBondContact O-N 3.35Å; I449-C453 PolarHBondContact O-SG 2.77Å; A450-C453 PolarHBondContact O-N 3.07Å; C453-F455 HydrophobicContact CB-CD1 3.49Å; C453-F455 VanDerWaalsContact CB-CD1 3.49Å; C453-F455 HydrophobicContact CB-CE1 3.44Å; C453-F455 VanDerWaalsContact CB-CE1 3.44Å
454	G	85.4	Confident	91.1	Very high	56 Å²	56	47.2 Å²	47.2	58%	0.577	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.5	19.2	173.5	0	0	0	0	0	116.5	A450	A450-G454 WeakPolarHBondContact O-CA 3.44Å; A450-G454 PolarHBondContact O-N 2.91Å
455	F	85.5	Confident	90.7	Very high	27 Å²	27	47.7 Å²	47.7	12%	0.118	27%	0.274	C	S	.	.			trans	-111.1	150.8	-174.4	63.3	-106.5	0	0	0	114.7	V412 I449 A450 C453 L763	V412-F455 HydrophobicContact CB-CD2 3.84Å; V412-F455 HydrophobicContact CB-CE2 4.1Å; V412-F455 HydrophobicContact CG1-CD2 4.36Å; V412-F455 HydrophobicContact CG1-CE2 4.16Å; V412-F455 HydrophobicContact CG2-CB 3.95Å; V412-F455 HydrophobicContact CG2-CD2 3.62Å; V412-F455 HydrophobicContact CG2-CE2 4.24Å; V412-F455 HydrophobicContact CG2-CG 3.83Å; I449-F455 HydrophobicContact CG2-CE1 4.25Å; I449-F455 HydrophobicContact CG2-CZ 4.01Å; A450-F455 HydrophobicContact CB-CD2 4.08Å; A450-F455 HydrophobicContact CB-CE2 3.82Å; A450-F455 HydrophobicContact CB-CZ 4.27Å; A450-F455 PolarHBondContact O-N 2.91Å; C453-F455 HydrophobicContact CB-CD1 3.49Å; C453-F455 VanDerWaalsContact CB-CD1 3.49Å; C453-F455 HydrophobicContact CB-CE1 3.44Å; C453-F455 VanDerWaalsContact CB-CE1 3.44Å; F455-L763 HydrophobicContact CD1-CD2 4.48Å
456	K	89.4	Confident	90.3	Very high	125 Å²	125	52 Å²	52	54%	0.543	29%	0.293	S	S	.	.			trans	-81.3	145	166.4	-67.7	177.1	177.6	173.4	0	109.9	N409 T411 V412	N409-K456 PolarHBondContact OD1-NZ 3.24Å; T411-K456 HydrophobicContact CG2-CB 3.88Å; V412-K456 PolarHBondContact N-O 2.88Å
457	Y	91.8	Very high	89.8	Confident	46 Å²	46	53.8 Å²	53.8	18%	0.18	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	156.1	-176.9	70.9	-83.8	0	0	0	114.1	V412 V414 N435 A446 A447 A450 L459	V412-Y457 CarbonylContact O-C 3.51Å; V412-Y457 VanDerWaalsContact O-CA 3.23Å; V412-Y457 WeakPolarHBondContact O-CA 3.49Å; V414-Y457 HydrophobicContact CG2-CD2 4.05Å; V414-Y457 HydrophobicContact CG2-CG 4.31Å; N435-Y457 PolarHBondContact ND2-O 3.17Å; A446-Y457 HydrophobicContact CB-CE2 4.19Å; A447-Y457 WeakPolarHBondContact CA-OH 3.5Å; A450-Y457 HydrophobicContact CB-CD1 3.41Å; A450-Y457 VanDerWaalsContact CB-CD1 3.41Å; A450-Y457 HydrophobicContact CB-CE1 3.58Å; A450-Y457 HydrophobicContact CB-CG 4.45Å; Y457-L459 HydrophobicContact CD2-CD2 4.35Å; Y457-L459 HydrophobicContact CD2-CG 4.19Å; Y457-L459 HydrophobicContact CE2-CD1 4.29Å; Y457-L459 HydrophobicContact CE2-CD2 4.18Å; Y457-L459 HydrophobicContact CE2-CG 3.93Å
458	E	92.4	Very high	89.4	Confident	58 Å²	58	52.1 Å²	52.1	27%	0.271	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	126	175.2	-167.6	-158.5	141.6	0	0	109.4	V412 V414 R460	V412-E458 PolarHBondContact O-N 3.12Å; V414-E458 PolarHBondContact N-O 2.92Å; E458-R460 VanDerWaalsContact CD-NE 3.31Å; E458-R460 WeakPolarHBondContact OE1-CG 3.25Å; E458-R460 IonicContact OE1-CZ 3.45Å; E458-R460 IonicContact OE1-NE 2.67Å; E458-R460 PolarHBondContact OE1-NE 2.66Å; E458-R460 IonicContact OE1-NH2 3.47Å; E458-R460 PolarHBondContact OE1-NH2 3.21Å; E458-R460 IonicContact OE2-CZ 3.33Å; E458-R460 IonicContact OE2-NE 2.7Å; E458-R460 PolarHBondContact OE2-NE 2.88Å; E458-R460 IonicContact OE2-NH2 3.38Å; E458-R460 PolarHBondContact OE2-NH2 3.39Å
459	L	92.7	Very high	89	Confident	7 Å²	7	52 Å²	52	4%	0.037	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	112.1	176.6	-68.9	171.1	0	0	0	110.7	V414 N435 Y438 V443 A446 Y457	V414-L459 HydrophobicContact CB-CD2 4.07Å; V414-L459 HydrophobicContact CG1-CD2 3.85Å; N435-L459 HydrophobicContact CB-CD1 4.16Å; N435-L459 PolarHBondContact OD1-N 3.44Å; Y438-L459 HydrophobicContact CD2-CB 3.94Å; Y438-L459 HydrophobicContact CD2-CD1 3.9Å; Y438-L459 HydrophobicContact CE2-CB 3.98Å; V443-L459 HydrophobicContact CG1-CD1 4.14Å; V443-L459 HydrophobicContact CG2-CD1 4.45Å; A446-L459 HydrophobicContact CB-CD2 4.44Å; Y457-L459 HydrophobicContact CD2-CD2 4.35Å; Y457-L459 HydrophobicContact CD2-CG 4.19Å; Y457-L459 HydrophobicContact CE2-CD1 4.29Å; Y457-L459 HydrophobicContact CE2-CD2 4.18Å; Y457-L459 HydrophobicContact CE2-CG 3.93Å
460	R	92.6	Very high	88.5	Confident	117 Å²	117	58 Å²	58	44%	0.442	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	139.8	172.2	-64.7	-166	-178.1	172.6	3.9	111.2	V413 V414 T415 T416 E458	V413-R460 HydrophobicContact CG1-CB 4.45Å; V413-R460 HydrophobicContact CG1-CG 4.09Å; V414-R460 PolarHBondContact O-N 2.81Å; T415-R460 WeakPolarHBondContact CA-O 3.39Å; T416-R460 PolarHBondContact N-O 2.69Å; E458-R460 VanDerWaalsContact CD-NE 3.31Å; E458-R460 WeakPolarHBondContact OE1-CG 3.25Å; E458-R460 IonicContact OE1-CZ 3.45Å; E458-R460 IonicContact OE1-NE 2.67Å; E458-R460 PolarHBondContact OE1-NE 2.66Å; E458-R460 IonicContact OE1-NH2 3.47Å; E458-R460 PolarHBondContact OE1-NH2 3.21Å; E458-R460 IonicContact OE2-CZ 3.33Å; E458-R460 IonicContact OE2-NE 2.7Å; E458-R460 PolarHBondContact OE2-NE 2.88Å; E458-R460 IonicContact OE2-NH2 3.38Å; E458-R460 PolarHBondContact OE2-NH2 3.39Å
461	I	93.6	Very high	88	Confident	52 Å²	52	60.9 Å²	60.9	27%	0.267	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	133.3	172.4	-54.9	-53.2	0	0	0	108.9	T416 L418 Y438 G463	T416-I461 HydrophobicContact CG2-CD1 3.79Å; T416-I461 WeakPolarHBondContact O-CA 3.48Å; L418-I461 HydrophobicContact CD1-CG2 4.4Å; L418-I461 HydrophobicContact CD2-CD1 3.75Å; L418-I461 HydrophobicContact CD2-CG1 4.3Å; L418-I461 HydrophobicContact CG-CD1 3.91Å; L418-I461 HydrophobicContact CG-CG1 4.16Å; L418-I461 HydrophobicContact CG-CG2 4.1Å; Y438-I461 HydrophobicContact CD1-CD1 4.46Å; Y438-I461 HydrophobicContact CE1-CD1 3.85Å; Y438-I461 HydrophobicContact CE1-CG1 3.99Å; I461-G463 PolarHBondContact O-N 3.02Å
462	V	93.4	Very high	87.2	Confident	5 Å²	5	58.2 Å²	58.2	3%	0.03	33%	0.333	C	S	.	.			trans	-54.5	129.1	177.8	59.9	0	0	0	0	112.2	T416 I417 D464 G465 M480	T416-V462 PolarHBondContact O-N 3.13Å; I417-V462 HydrophobicContact CB-CG1 4.04Å; I417-V462 HydrophobicContact CD1-CG1 4.29Å; I417-V462 HydrophobicContact CG1-CG1 4.13Å; V462-D464 VanDerWaalsContact C-N 3.3Å; V462-D464 PolarHBondContact O-N 2.95Å; V462-G465 PolarHBondContact O-N 2.81Å; V462-M480 HydrophobicContact CB-CG 3.71Å; V462-M480 HydrophobicContact CG1-CG 4.07Å; V462-M480 HydrophobicContact CG2-CG 3.88Å
463	G	86.9	Confident	86.8	Confident	73 Å²	73	63.6 Å²	63.6	75%	0.753	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-20.7	-166.3	0	0	0	0	0	116.4	I461 E483	I461-G463 PolarHBondContact O-N 3.02Å; G463-E483 PolarHBondContact N-OE1 3.15Å
464	D	85.6	Confident	86.3	Confident	68 Å²	68	66.6 Å²	66.6	36%	0.364	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	1.4	-179.3	74.3	-5.8	0	0	0	114.3	V462 K466 N478 G479	V462-D464 VanDerWaalsContact C-N 3.3Å; V462-D464 PolarHBondContact O-N 2.95Å; D464-K466 VanDerWaalsContact C-N 3.34Å; D464-K466 PolarHBondContact O-N 3.28Å; D464-K466 WeakPolarHBondContact OD1-CB 3.43Å; D464-K466 PolarHBondContact OD1-N 2.95Å; D464-N478 WeakPolarHBondContact OD2-CB 3.27Å; D464-G479 VanDerWaalsContact OD1-CA 3.29Å; D464-G479 WeakPolarHBondContact OD1-CA 3.12Å; D464-G479 PolarHBondContact OD2-N 2.74Å
465	G	86	Confident	86	Confident	49 Å²	49	70.5 Å²	70.5	51%	0.505	38%	0.378	S	S	.	.	S	Bend	trans	68.8	21	-178.1	0	0	0	0	0	115.6	I417 V462	I417-G465 WeakPolarHBondContact CD1-O 3.35Å; V462-G465 PolarHBondContact O-N 2.81Å
466	K	86.3	Confident	86	Confident	91 Å²	91	70.9 Å²	70.9	40%	0.396	38%	0.38	S	S	.	.			trans	-118	149.5	-176.1	-60.8	173.6	-171.2	172.8	0	113.2	D464 G468 G479 M480	D464-K466 VanDerWaalsContact C-N 3.34Å; D464-K466 PolarHBondContact O-N 3.28Å; D464-K466 WeakPolarHBondContact OD1-CB 3.43Å; D464-K466 PolarHBondContact OD1-N 2.95Å; K466-G468 VanDerWaalsContact C-N 3.33Å; K466-G468 PolarHBondContact O-N 2.99Å; K466-G479 WeakPolarHBondContact O-CA 3.34Å; K466-M480 PolarHBondContact O-N 3.09Å; K466-M480 VanDerWaalsContact O-N 3.16Å
467	Y	85.8	Confident	85.9	Confident	40 Å²	40	65.4 Å²	65.4	16%	0.157	36%	0.356	C	S	.	.			trans	-64	-39.3	171.7	-53.2	-88.9	0	0	0	112.5	I417 E419 M480 V481 P495 L668	I417-Y467 HydrophobicContact CD1-CE1 4.43Å; I417-Y467 HydrophobicContact CG2-CD1 4.47Å; I417-Y467 HydrophobicContact CG2-CE1 4.21Å; E419-Y467 VanDerWaalsContact CD-OH 3.22Å; E419-Y467 PolarHBondContact OE1-OH 2.92Å; E419-Y467 PolarHBondContact OE2-OH 3.18Å; Y467-M480 HydrophobicContact CD1-CE 3.9Å; Y467-M480 HydrophobicContact CG-CE 4.44Å; Y467-M480 PolarHBondContact O-N 3.11Å; Y467-V481 PolarHBondContact O-N 3.29Å; Y467-P495 HydrophobicContact CE1-CG 4.29Å; Y467-L668 HydrophobicContact CE2-CD2 4.38Å
468	G	85.4	Confident	85.7	Confident	5 Å²	5	65.4 Å²	65.4	5%	0.052	36%	0.359	C	S	.	.			trans	121.1	119.8	179.6	0	0	0	0	0	112.8	K466 N478 R502	K466-G468 VanDerWaalsContact C-N 3.33Å; K466-G468 PolarHBondContact O-N 2.99Å; G468-N478 WeakPolarHBondContact CA-O 3.33Å; G468-N478 WeakPolarHBondContact CA-OD1 3.42Å; G468-R502 PolarHBondContact O-NE 3.3Å; G468-R502 PolarHBondContact O-NH2 2.92Å
469	A	84.3	Confident	85.6	Confident	42 Å²	42	62.9 Å²	62.9	35%	0.347	35%	0.349	S	S	.	.			trans	-130.1	157.5	171.4	0	0	0	0	0	109	N478	A469-N478 PolarHBondContact N-OD1 2.74Å; A469-N478 PolarHBondContact O-N 3.19Å; A469-N478 VanDerWaalsContact O-N 3.15Å; A469-N478 PolarHBondContact O-OD1 2.74Å
470	R	83.4	Confident	85.7	Confident	127 Å²	127	62.5 Å²	62.5	48%	0.479	35%	0.347	S	S	.	.	B	Isolated β-bridge	trans	-88.6	127.8	173.6	-161.2	-179.8	-169.7	172.4	2.4	108.8	K475 I476 W477	R470-K475 WeakPolarHBondContact CG-O 3.31Å; R470-K475 PolarHBondContact NE-O 2.68Å; R470-I476 WeakPolarHBondContact CA-O 3.41Å; R470-W477 HydrophobicContact CB-CD2 3.97Å; R470-W477 HydrophobicContact CB-CE3 4.07Å; R470-W477 HydrophobicContact CB-CH2 3.96Å; R470-W477 HydrophobicContact CB-CZ2 3.83Å; R470-W477 HydrophobicContact CB-CZ3 4.07Å; R470-W477 HydrophobicContact CG-CD2 4.26Å; R470-W477 HydrophobicContact CG-CZ2 4.22Å
471	D	81.3	Confident	85.7	Confident	66 Å²	66	57 Å²	57	35%	0.353	33%	0.326	S	S	.	.			trans	-65.6	145.5	170.2	177.6	37.7	0	0	0	110.7	T474 K475 I476	D471-T474 WeakPolarHBondContact CB-OG1 3.32Å; D471-T474 VanDerWaalsContact OD2-CB 3.3Å; D471-T474 WeakPolarHBondContact OD2-CB 3.45Å; D471-T474 WeakPolarHBondContact OD2-CG2 3.2Å; D471-T474 PolarHBondContact OD2-N 2.94Å; D471-T474 PolarHBondContact OD2-OG1 2.72Å; D471-K475 VanDerWaalsContact O-CA 3.25Å; D471-K475 WeakPolarHBondContact O-CA 3.14Å; D471-K475 PolarHBondContact O-N 2.88Å; D471-I476 PolarHBondContact N-O 3.32Å
472	A	75.8	Confident	85.5	Confident	84 Å²	84	54.7 Å²	54.7	69%	0.694	32%	0.316	S	S	*	.	S	Bend	trans	-77.2	-35	-174.8	0	0	0	0	0	112.5
473	E	77.9	Confident	85.4	Confident	178 Å²	178	56.1 Å²	56.1	83%	0.832	32%	0.322	S	S	*	.	S	Bend	trans	-90.8	-59.2	-175.6	-65.2	-179.9	-172	0	0	111	K475	E473-K475 VanDerWaalsContact C-N 3.26Å; E473-K475 PolarHBondContact O-N 3.14Å
474	T	76.8	Confident	85.7	Confident	83 Å²	83	52.7 Å²	52.7	51%	0.509	29%	0.287	S	S	.	.	S	Bend	trans	-74.9	-14.8	-178.1	66.2	0	0	0	0	113.5	D471 I476	D471-T474 WeakPolarHBondContact CB-OG1 3.32Å; D471-T474 VanDerWaalsContact OD2-CB 3.3Å; D471-T474 WeakPolarHBondContact OD2-CB 3.45Å; D471-T474 WeakPolarHBondContact OD2-CG2 3.2Å; D471-T474 PolarHBondContact OD2-N 2.94Å; D471-T474 PolarHBondContact OD2-OG1 2.72Å; T474-I476 HydrophobicContact CG2-CD1 4.39Å; T474-I476 PolarHBondContact O-N 2.72Å; T474-I476 VanDerWaalsContact O-N 3.08Å; T474-I476 WeakPolarHBondContact OG1-CB 3.42Å; T474-I476 PolarHBondContact OG1-N 3.46Å
475	K	79.8	Confident	85.9	Confident	138 Å²	138	52 Å²	52	60%	0.6	29%	0.285	S	S	*	.			trans	59	9.8	-172.2	-61.7	177.5	-177.7	172.7	0	114.9	R470 D471 E473	R470-K475 WeakPolarHBondContact CG-O 3.31Å; R470-K475 PolarHBondContact NE-O 2.68Å; D471-K475 VanDerWaalsContact O-CA 3.25Å; D471-K475 WeakPolarHBondContact O-CA 3.14Å; D471-K475 PolarHBondContact O-N 2.88Å; E473-K475 VanDerWaalsContact C-N 3.26Å; E473-K475 PolarHBondContact O-N 3.14Å
476	I	83.9	Confident	86	Confident	34 Å²	34	51.4 Å²	51.4	17%	0.174	27%	0.268	C	S	.	.			trans	-73.8	144.7	-179.6	-69	170.8	0	0	0	110.7	S200 K202 R470 D471 T474 Y486	S200-I476 VanDerWaalsContact O-CD1 3.29Å; S200-I476 WeakPolarHBondContact O-CD1 3.48Å; K202-I476 HydrophobicContact CD-CG2 3.87Å; R470-I476 WeakPolarHBondContact CA-O 3.41Å; D471-I476 PolarHBondContact N-O 3.32Å; T474-I476 HydrophobicContact CG2-CD1 4.39Å; T474-I476 PolarHBondContact O-N 2.72Å; T474-I476 VanDerWaalsContact O-N 3.08Å; T474-I476 WeakPolarHBondContact OG1-CB 3.42Å; T474-I476 PolarHBondContact OG1-N 3.46Å; I476-Y486 HydrophobicContact CG2-CE2 4.44Å
477	W	88.1	Confident	85.9	Confident	10 Å²	10	48.4 Å²	48.4	4%	0.038	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-88.3	139.5	169	-71	94.6	0	0	0	111.8	K202 R470 V481 Y486 V501 R502 V505	K202-W477 PolarHBondContact NZ-O 3.21Å; R470-W477 HydrophobicContact CB-CD2 3.97Å; R470-W477 HydrophobicContact CB-CE3 4.07Å; R470-W477 HydrophobicContact CB-CH2 3.96Å; R470-W477 HydrophobicContact CB-CZ2 3.83Å; R470-W477 HydrophobicContact CB-CZ3 4.07Å; R470-W477 HydrophobicContact CG-CD2 4.26Å; R470-W477 HydrophobicContact CG-CZ2 4.22Å; W477-V481 HydrophobicContact CB-CG1 4.5Å; W477-V481 HydrophobicContact CD2-CG1 3.76Å; W477-V481 HydrophobicContact CE3-CB 3.99Å; W477-V481 HydrophobicContact CE3-CG1 3.5Å; W477-V481 VanDerWaalsContact CE3-CG1 3.5Å; W477-V481 HydrophobicContact CG-CG1 4.2Å; W477-V481 HydrophobicContact CZ3-CB 4.48Å; W477-V481 HydrophobicContact CZ3-CG1 3.94Å; W477-Y486 HydrophobicContact CB-CE2 4.28Å; W477-Y486 PolarHBondContact N-OH 3.3Å; W477-Y486 WeakPolarHBondContact O-CE2 3.45Å; W477-V501 HydrophobicContact CH2-CB 4.5Å; W477-V501 HydrophobicContact CH2-CG2 4.4Å; W477-V501 VanDerWaalsContact CH2-O 3.24Å; W477-V501 WeakPolarHBondContact CH2-O 3.38Å; W477-V501 WeakPolarHBondContact CZ2-O 3.47Å; W477-R502 HydrophobicContact CH2-CG 4.16Å; W477-R502 HydrophobicContact CZ3-CG 4.19Å; W477-V505 HydrophobicContact CD2-CG2 4.47Å; W477-V505 HydrophobicContact CZ2-CG1 4.45Å; W477-V505 HydrophobicContact CZ2-CG2 3.79Å
478	N	88.6	Confident	86	Confident	46 Å²	46	52 Å²	52	25%	0.246	28%	0.279	C	S	.	.			trans	-108.8	-177.8	169	66.8	35.3	0	0	0	110.7	D464 G468 A469 G482	D464-N478 WeakPolarHBondContact OD2-CB 3.27Å; G468-N478 WeakPolarHBondContact CA-O 3.33Å; G468-N478 WeakPolarHBondContact CA-OD1 3.42Å; A469-N478 PolarHBondContact N-OD1 2.74Å; A469-N478 PolarHBondContact O-N 3.19Å; A469-N478 VanDerWaalsContact O-N 3.15Å; A469-N478 PolarHBondContact O-OD1 2.74Å; N478-G482 PolarHBondContact O-N 3.5Å; N478-G482 VanDerWaalsContact O-N 3.09Å
479	G	90.4	Very high	86.2	Confident	5 Å²	5	51.9 Å²	51.9	5%	0.052	28%	0.277	C	S	.	.	H	α-helix	trans	59.2	-163.7	178.1	0	0	0	0	0	116.4	D464 K466 V481 G482 E483	D464-G479 VanDerWaalsContact OD1-CA 3.29Å; D464-G479 WeakPolarHBondContact OD1-CA 3.12Å; D464-G479 PolarHBondContact OD2-N 2.74Å; K466-G479 WeakPolarHBondContact O-CA 3.34Å; G479-V481 PolarHBondContact O-N 3.28Å; G479-G482 WeakPolarHBondContact O-CA 3.49Å; G479-G482 PolarHBondContact O-N 3.3Å; G479-E483 PolarHBondContact O-N 2.99Å
480	M	92.8	Very high	86.5	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-56.8	-36.4	-179.8	-65.6	-179.6	-77.2	0	0	112.4	T415 I417 V462 K466 Y467 G482 E483 L484 A494	T415-M480 HydrophobicContact CG2-CB 4.11Å; T415-M480 HydrophobicContact CG2-CG 4.21Å; I417-M480 HydrophobicContact CB-CE 3.93Å; I417-M480 HydrophobicContact CB-SD 4.19Å; I417-M480 HydrophobicContact CG2-CE 3.65Å; I417-M480 HydrophobicContact CG2-SD 4.27Å; V462-M480 HydrophobicContact CB-CG 3.71Å; V462-M480 HydrophobicContact CG1-CG 4.07Å; V462-M480 HydrophobicContact CG2-CG 3.88Å; K466-M480 PolarHBondContact O-N 3.09Å; K466-M480 VanDerWaalsContact O-N 3.16Å; Y467-M480 HydrophobicContact CD1-CE 3.9Å; Y467-M480 HydrophobicContact CG-CE 4.44Å; Y467-M480 PolarHBondContact O-N 3.11Å; M480-G482 VanDerWaalsContact C-N 3.33Å; M480-G482 PolarHBondContact O-N 3.36Å; M480-E483 PolarHBondContact O-N 2.95Å; M480-L484 PolarHBondContact O-N 3.49Å; M480-L484 VanDerWaalsContact O-N 3.11Å; M480-A494 HydrophobicContact CE-CB 3.72Å; M480-A494 HydrophobicContact SD-CB 3.48Å; M480-A494 WeakPolarHBondContact SD-CB 3.37Å
481	V	92.7	Very high	87.1	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-58.7	-45.6	173.6	-179.1	0	0	0	0	110.9	Y467 W477 G479 E483 L484 V485 L496 R502 V505 I506	Y467-V481 PolarHBondContact O-N 3.29Å; W477-V481 HydrophobicContact CB-CG1 4.5Å; W477-V481 HydrophobicContact CD2-CG1 3.76Å; W477-V481 HydrophobicContact CE3-CB 3.99Å; W477-V481 HydrophobicContact CE3-CG1 3.5Å; W477-V481 VanDerWaalsContact CE3-CG1 3.5Å; W477-V481 HydrophobicContact CG-CG1 4.2Å; W477-V481 HydrophobicContact CZ3-CB 4.48Å; W477-V481 HydrophobicContact CZ3-CG1 3.94Å; G479-V481 PolarHBondContact O-N 3.28Å; V481-E483 VanDerWaalsContact C-N 3.35Å; V481-E483 PolarHBondContact O-N 3.26Å; V481-L484 PolarHBondContact O-N 2.89Å; V481-V485 HydrophobicContact CG1-CG2 4.28Å; V481-V485 WeakPolarHBondContact O-CB 3.48Å; V481-V485 VanDerWaalsContact O-CG2 3.28Å; V481-V485 WeakPolarHBondContact O-CG2 3.4Å; V481-V485 PolarHBondContact O-N 2.68Å; V481-L496 HydrophobicContact CG2-CD1 4.29Å; V481-R502 HydrophobicContact CG2-CG 4.1Å; V481-V505 HydrophobicContact CG1-CG2 4.06Å; V481-I506 HydrophobicContact CB-CD1 4.37Å; V481-I506 HydrophobicContact CG1-CD1 3.99Å; V481-I506 HydrophobicContact CG1-CG1 4.37Å; V481-I506 HydrophobicContact CG2-CD1 3.94Å
482	G	90.4	Very high	87.8	Confident	5 Å²	5	42.8 Å²	42.8	5%	0.052	23%	0.232	C	C	.	.	H	α-helix	trans	-62.3	-39.6	174.8	0	0	0	0	0	112.8	N478 G479 M480 L484 V485 Y486	N478-G482 PolarHBondContact O-N 3.5Å; N478-G482 VanDerWaalsContact O-N 3.09Å; G479-G482 WeakPolarHBondContact O-CA 3.49Å; G479-G482 PolarHBondContact O-N 3.3Å; M480-G482 VanDerWaalsContact C-N 3.33Å; M480-G482 PolarHBondContact O-N 3.36Å; G482-L484 VanDerWaalsContact C-N 3.31Å; G482-L484 PolarHBondContact O-N 3.17Å; G482-V485 PolarHBondContact O-N 3.05Å; G482-Y486 WeakPolarHBondContact O-CB 3.18Å; G482-Y486 WeakPolarHBondContact O-CD2 3.44Å; G482-Y486 PolarHBondContact O-N 3.07Å
483	E	92.2	Very high	88.8	Confident	34 Å²	34	39 Å²	39	16%	0.159	20%	0.2	C	C	.	.	H	α-helix	trans	-64.2	-33.6	178.7	-69.1	-176.7	174.3	0	0	113.1	T415 G463 G479 M480 V481 G487 K488 A489	T415-E483 VanDerWaalsContact CB-OE2 3.31Å; T415-E483 WeakPolarHBondContact CB-OE2 3.46Å; T415-E483 HydrophobicContact CG2-CB 4.47Å; T415-E483 PolarHBondContact OG1-OE2 3.3Å; G463-E483 PolarHBondContact N-OE1 3.15Å; G479-E483 PolarHBondContact O-N 2.99Å; M480-E483 PolarHBondContact O-N 2.95Å; V481-E483 VanDerWaalsContact C-N 3.35Å; V481-E483 PolarHBondContact O-N 3.26Å; E483-G487 PolarHBondContact O-N 2.93Å; E483-K488 HydrophobicContact CB-CB 4.13Å; E483-K488 HydrophobicContact CG-CB 4.33Å; E483-K488 HydrophobicContact CG-CD 4.34Å; E483-K488 WeakPolarHBondContact O-CA 3.43Å; E483-K488 PolarHBondContact O-N 3.38Å; E483-A489 HydrophobicContact CB-CB 4.26Å; E483-A489 PolarHBondContact O-N 2.89Å; E483-A489 VanDerWaalsContact O-N 3.1Å
484	L	92.3	Very high	89.6	Confident	2 Å²	2	30.5 Å²	30.5	1%	0.01	16%	0.161	C	C	.	.	H	α-helix	trans	-74.2	-45.7	171.2	-61.5	-175.5	0	0	0	112.7	T415 M480 V481 G482 Y486 G487 A489 A492 I506 A756 P758	T415-L484 HydrophobicContact CG2-CD2 4.28Å; M480-L484 PolarHBondContact O-N 3.49Å; M480-L484 VanDerWaalsContact O-N 3.11Å; V481-L484 PolarHBondContact O-N 2.89Å; G482-L484 VanDerWaalsContact C-N 3.31Å; G482-L484 PolarHBondContact O-N 3.17Å; L484-Y486 VanDerWaalsContact C-N 3.31Å; L484-Y486 PolarHBondContact O-N 3.4Å; L484-G487 PolarHBondContact O-N 2.89Å; L484-A489 HydrophobicContact CD2-CB 4.08Å; L484-A489 WeakPolarHBondContact CD2-O 3.24Å; L484-A492 HydrophobicContact CD1-CB 3.84Å; L484-A492 HydrophobicContact CD2-CB 4.31Å; L484-A492 HydrophobicContact CG-CB 4.27Å; L484-I506 HydrophobicContact CB-CG2 3.82Å; L484-I506 HydrophobicContact CD1-CD1 4.4Å; L484-I506 HydrophobicContact CD1-CG2 4.2Å; L484-A756 HydrophobicContact CD1-CB 3.51Å; L484-P758 HydrophobicContact CB-CG 4.37Å; L484-P758 HydrophobicContact CD2-CG 4.31Å
485	V	90.1	Very high	90.4	Very high	54 Å²	54	26.6 Å²	26.6	33%	0.327	14%	0.137	S	C	.	.	H	α-helix	trans	-63.3	-36	-178.1	169.9	0	0	0	0	112.1	V481 G482 V505 I506	V481-V485 HydrophobicContact CG1-CG2 4.28Å; V481-V485 WeakPolarHBondContact O-CB 3.48Å; V481-V485 VanDerWaalsContact O-CG2 3.28Å; V481-V485 WeakPolarHBondContact O-CG2 3.4Å; V481-V485 PolarHBondContact O-N 2.68Å; G482-V485 PolarHBondContact O-N 3.05Å; V485-V505 HydrophobicContact CG2-CB 3.99Å; V485-V505 HydrophobicContact CG2-CG2 4.01Å; V485-I506 HydrophobicContact CG2-CG2 3.75Å
486	Y	87.6	Confident	91	Very high	36 Å²	36	20 Å²	20	14%	0.141	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	18.7	180	-52.6	-61.9	0	0	0	113.6	K202 I476 W477 G482 L484 K488	K202-Y486 HydrophobicContact CB-CD1 3.87Å; K202-Y486 HydrophobicContact CB-CE1 3.69Å; K202-Y486 HydrophobicContact CB-CG 4.44Å; K202-Y486 HydrophobicContact CD-CD1 4.25Å; K202-Y486 HydrophobicContact CD-CD2 3.72Å; K202-Y486 HydrophobicContact CD-CE1 3.98Å; K202-Y486 HydrophobicContact CD-CE2 3.45Å; K202-Y486 VanDerWaalsContact CD-CE2 3.45Å; K202-Y486 HydrophobicContact CD-CG 4.15Å; I476-Y486 HydrophobicContact CG2-CE2 4.44Å; W477-Y486 HydrophobicContact CB-CE2 4.28Å; W477-Y486 PolarHBondContact N-OH 3.3Å; W477-Y486 WeakPolarHBondContact O-CE2 3.45Å; G482-Y486 WeakPolarHBondContact O-CB 3.18Å; G482-Y486 WeakPolarHBondContact O-CD2 3.44Å; G482-Y486 PolarHBondContact O-N 3.07Å; L484-Y486 VanDerWaalsContact C-N 3.31Å; L484-Y486 PolarHBondContact O-N 3.4Å; Y486-K488 VanDerWaalsContact C-N 3.28Å; Y486-K488 PolarHBondContact O-N 2.58Å
487	G	84.5	Confident	91.4	Very high	28 Å²	28	18.6 Å²	18.6	29%	0.289	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.5	19.1	170.5	0	0	0	0	0	116.3	E483 L484	E483-G487 PolarHBondContact O-N 2.93Å; L484-G487 PolarHBondContact O-N 2.89Å
488	K	86.9	Confident	91.6	Very high	116 Å²	116	20.1 Å²	20.1	50%	0.504	11%	0.109	S	C	.	.	S	Bend	trans	-78.6	-29.3	177.6	-64.8	-169	172.5	-166.1	0	112.8	E483 Y486	E483-K488 HydrophobicContact CB-CB 4.13Å; E483-K488 HydrophobicContact CG-CB 4.33Å; E483-K488 HydrophobicContact CG-CD 4.34Å; E483-K488 WeakPolarHBondContact O-CA 3.43Å; E483-K488 PolarHBondContact O-N 3.38Å; Y486-K488 VanDerWaalsContact C-N 3.28Å; Y486-K488 PolarHBondContact O-N 2.58Å
489	A	90.8	Very high	91.6	Very high	2 Å²	2	19.6 Å²	19.6	2%	0.017	11%	0.108	C	C	.	.			trans	-131.3	150.4	177.1	0	0	0	0	0	110.7	V413 T415 E483 L484	V413-A489 HydrophobicContact CG1-CB 4.12Å; T415-A489 HydrophobicContact CG2-CB 3.63Å; E483-A489 HydrophobicContact CB-CB 4.26Å; E483-A489 PolarHBondContact O-N 2.89Å; E483-A489 VanDerWaalsContact O-N 3.1Å; L484-A489 HydrophobicContact CD2-CB 4.08Å; L484-A489 WeakPolarHBondContact CD2-O 3.24Å
490	D	91.3	Very high	91.4	Very high	42 Å²	42	25.6 Å²	25.6	23%	0.225	14%	0.138	C	C	.	.	S	Bend	trans	-93.3	-22.5	-174.5	-54	-59.3	0	0	0	112.4	K230 V412 V413 P758	K230-D490 WeakPolarHBondContact CE-OD1 3.41Å; K230-D490 IonicContact NZ-OD1 3.55Å; K230-D490 PolarHBondContact NZ-OD1 2.9Å; K230-D490 IonicContact NZ-OD2 2.58Å; K230-D490 PolarHBondContact NZ-OD2 3.04Å; V412-D490 HydrophobicContact CG1-CB 3.91Å; V413-D490 WeakPolarHBondContact CB-OD2 3.5Å; V413-D490 PolarHBondContact N-OD2 3.22Å; V413-D490 PolarHBondContact O-N 3.27Å; D490-P758 WeakPolarHBondContact O-CD 3.4Å
491	I	94.6	Very high	91.2	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	150.6	-179.2	-167.9	171.7	0	0	0	109.8	V412 V413 V414 T415 V493 I755 A756 T757 V767	V412-I491 HydrophobicContact CG1-CG2 3.66Å; V413-I491 PolarHBondContact O-N 2.89Å; V414-I491 WeakPolarHBondContact CA-O 3.28Å; V414-I491 HydrophobicContact CB-CG2 4.12Å; V414-I491 HydrophobicContact CG1-CG2 4.31Å; V414-I491 HydrophobicContact CG2-CG2 3.61Å; T415-I491 PolarHBondContact N-O 2.78Å; I491-V493 HydrophobicContact CD1-CG2 4.34Å; I491-V493 HydrophobicContact CG1-CG2 4.35Å; I491-I755 HydrophobicContact CD1-CG2 3.75Å; I491-I755 HydrophobicContact CG1-CG2 3.68Å; I491-A756 WeakPolarHBondContact CA-O 3.49Å; I491-A756 WeakPolarHBondContact CG1-O 3.29Å; I491-T757 HydrophobicContact CD1-CG2 4.34Å; I491-T757 HydrophobicContact CG1-CG2 3.98Å; I491-V767 HydrophobicContact CD1-CG1 4.33Å; I491-V767 HydrophobicContact CD1-CG2 3.79Å
492	A	96.6	Very high	91.1	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	114.8	172.7	0	0	0	0	0	111	T415 L484 I755 A756	T415-A492 HydrophobicContact CG2-CB 3.58Å; T415-A492 WeakPolarHBondContact O-CA 3.5Å; L484-A492 HydrophobicContact CD1-CB 3.84Å; L484-A492 HydrophobicContact CD2-CB 4.31Å; L484-A492 HydrophobicContact CG-CB 4.27Å; A492-I755 WeakPolarHBondContact O-CG2 3.35Å; A492-A756 HydrophobicContact CB-CB 4.32Å; A492-A756 PolarHBondContact N-O 3.08Å; A492-A756 PolarHBondContact O-N 3.32Å
493	V	96.2	Very high	91.1	Very high	4 Å²	4	34.6 Å²	34.6	2%	0.024	18%	0.183	C	C	.	.			trans	-111.9	92.3	177.1	-176.6	0	0	0	0	108.1	V414 T415 T416 C442 L445 A446 I449 I491 I755	V414-V493 HydrophobicContact CG1-CB 3.85Å; V414-V493 HydrophobicContact CG1-CG2 3.88Å; T415-V493 PolarHBondContact O-N 2.82Å; T416-V493 WeakPolarHBondContact CB-O 3.24Å; T416-V493 PolarHBondContact OG1-O 3Å; C442-V493 HydrophobicContact CB-CG1 4.27Å; L445-V493 HydrophobicContact CD2-CG1 4.29Å; L445-V493 HydrophobicContact CG-CG1 4.37Å; A446-V493 HydrophobicContact CB-CG1 4.24Å; I449-V493 HydrophobicContact CD1-CG1 4.38Å; I449-V493 HydrophobicContact CD1-CG2 4.27Å; I491-V493 HydrophobicContact CD1-CG2 4.34Å; I491-V493 HydrophobicContact CG1-CG2 4.35Å; V493-I755 HydrophobicContact CG2-CG2 4.05Å
494	A	94.8	Very high	90.9	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.008	20%	0.198	C	C	.	.	S	Bend	trans	-155.8	167.6	-168.6	0	0	0	0	0	110.9	I417 M480 L496	I417-A494 HydrophobicContact CG2-CB 4.42Å; M480-A494 HydrophobicContact CE-CB 3.72Å; M480-A494 HydrophobicContact SD-CB 3.48Å; M480-A494 WeakPolarHBondContact SD-CB 3.37Å; A494-L496 PolarHBondContact O-N 3.18Å
495	P	93.1	Very high	90.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.207	C	C	.	.			trans	-68.9	67.8	165.7	30.1	-37	0	0	0	111.6	I417 Y422 Y467 Y753	I417-P495 HydrophobicContact CG2-CG 4.27Å; Y422-P495 HydrophobicContact CD1-CB 3.99Å; Y422-P495 HydrophobicContact CD1-CG 4.23Å; Y422-P495 HydrophobicContact CD2-CB 3.96Å; Y422-P495 HydrophobicContact CD2-CG 3.66Å; Y422-P495 HydrophobicContact CE1-CB 3.96Å; Y422-P495 HydrophobicContact CE2-CB 3.93Å; Y422-P495 HydrophobicContact CE2-CG 4.08Å; Y422-P495 HydrophobicContact CG-CB 3.98Å; Y422-P495 HydrophobicContact CG-CG 3.73Å; Y467-P495 HydrophobicContact CE1-CG 4.29Å; P495-Y753 VanDerWaalsContact C-CD1 3.41Å; P495-Y753 HydrophobicContact CB-CD1 4.21Å; P495-Y753 HydrophobicContact CB-CD2 4.1Å; P495-Y753 HydrophobicContact CB-CE1 3.8Å; P495-Y753 HydrophobicContact CB-CE2 3.68Å; P495-Y753 HydrophobicContact CB-CG 4.36Å
496	L	92.9	Very high	91	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.192	C	C	.	.			trans	-101.5	105.4	-178.6	-173.3	64.8	0	0	0	110.3	V481 A494 I498 I506 F508 G754 A756	V481-L496 HydrophobicContact CG2-CD1 4.29Å; A494-L496 PolarHBondContact O-N 3.18Å; L496-I498 PolarHBondContact O-N 2.73Å; L496-I506 HydrophobicContact CD2-CD1 4.28Å; L496-F508 HydrophobicContact CD2-CE1 3.87Å; L496-F508 HydrophobicContact CD2-CZ 4.1Å; L496-F508 HydrophobicContact CG-CE1 4.07Å; L496-F508 HydrophobicContact CG-CZ 4.31Å; L496-G754 PolarHBondContact O-N 3.47Å; L496-A756 HydrophobicContact CD2-CB 3.81Å
497	T	91.9	Very high	91.3	Very high	4 Å²	4	35.5 Å²	35.5	3%	0.025	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-58.5	127.3	177.8	-21.4	0	0	0	0	110.7	T499 R502 S672 E726 K751	T497-T499 PolarHBondContact O-N 2.89Å; T497-R502 PolarHBondContact O-NH1 2.87Å; T497-S672 PolarHBondContact OG1-OG 2.83Å; T497-E726 VanDerWaalsContact CG2-OE1 3.3Å; T497-E726 WeakPolarHBondContact CG2-OE1 3.29Å; T497-E726 PolarHBondContact OG1-OE1 2.96Å; T497-K751 HydrophobicContact CG2-CB 4.18Å; T497-K751 HydrophobicContact CG2-CD 3.87Å; T497-K751 HydrophobicContact CG2-CG 4.11Å
498	I	92.1	Very high	91.8	Very high	42 Å²	42	34.7 Å²	34.7	22%	0.215	18%	0.177	C	C	.	.			trans	-66.9	128.7	170.9	-55.6	171.7	0	0	0	108.3	L496 F508 P511 G752	L496-I498 PolarHBondContact O-N 2.73Å; I498-F508 HydrophobicContact CG1-CB 4.41Å; I498-F508 HydrophobicContact CG1-CD1 3.78Å; I498-F508 HydrophobicContact CG1-CE1 4.13Å; I498-F508 HydrophobicContact CG1-CG 4.06Å; I498-F508 HydrophobicContact CG2-CD2 4.14Å; I498-F508 HydrophobicContact CG2-CE2 4.48Å; I498-F508 HydrophobicContact CG2-CG 4.26Å; I498-P511 HydrophobicContact CD1-CB 4.02Å; I498-G752 PolarHBondContact N-O 3.17Å
499	T	89.1	Confident	92.2	Very high	35 Å²	35	29.6 Å²	29.6	22%	0.215	16%	0.156	C	C	.	.			trans	-147.5	146.5	177.3	63.6	0	0	0	0	110.8	T497 V501 R502 E503	T497-T499 PolarHBondContact O-N 2.89Å; T499-V501 VanDerWaalsContact C-N 3.34Å; T499-V501 PolarHBondContact O-N 2.88Å; T499-R502 WeakPolarHBondContact O-CA 3.47Å; T499-R502 WeakPolarHBondContact O-CB 3.46Å; T499-R502 PolarHBondContact O-N 3.33Å; T499-R502 WeakPolarHBondContact OG1-CD 3.33Å; T499-R502 WeakPolarHBondContact OG1-CG 3.49Å; T499-E503 PolarHBondContact O-N 2.86Å
500	L	86.4	Confident	92.4	Very high	131 Å²	131	35.5 Å²	35.5	69%	0.686	18%	0.181	S	C	*	.	H	α-helix	trans	-48.9	-50.7	-178.2	-178.5	64.9	0	0	0	112.9	R502 E503 E504	L500-R502 PolarHBondContact O-N 3.04Å; L500-R502 VanDerWaalsContact O-N 3.12Å; L500-E503 PolarHBondContact O-N 3Å; L500-E503 VanDerWaalsContact O-N 3.09Å; L500-E504 PolarHBondContact O-N 2.98Å
501	V	88.3	Confident	92.5	Very high	79 Å²	79	36.3 Å²	36.3	48%	0.479	19%	0.189	S	C	.	.	H	α-helix	trans	-64.1	-17.1	-179.7	-61.8	0	0	0	0	114.4	W477 T499	W477-V501 HydrophobicContact CH2-CB 4.5Å; W477-V501 HydrophobicContact CH2-CG2 4.4Å; W477-V501 VanDerWaalsContact CH2-O 3.24Å; W477-V501 WeakPolarHBondContact CH2-O 3.38Å; W477-V501 WeakPolarHBondContact CZ2-O 3.47Å; T499-V501 VanDerWaalsContact C-N 3.34Å; T499-V501 PolarHBondContact O-N 2.88Å
502	R	91.1	Very high	92.5	Very high	18 Å²	18	36.7 Å²	36.7	7%	0.068	19%	0.19	C	C	.	.	H	α-helix	trans	-90.5	-41.1	171.6	-70.3	176.4	176.2	157.9	-4.7	110.7	G468 W477 V481 T497 T499 L500 E504 V505 I506 F508	G468-R502 PolarHBondContact O-NE 3.3Å; G468-R502 PolarHBondContact O-NH2 2.92Å; W477-R502 HydrophobicContact CH2-CG 4.16Å; W477-R502 HydrophobicContact CZ3-CG 4.19Å; V481-R502 HydrophobicContact CG2-CG 4.1Å; T497-R502 PolarHBondContact O-NH1 2.87Å; T499-R502 WeakPolarHBondContact O-CA 3.47Å; T499-R502 WeakPolarHBondContact O-CB 3.46Å; T499-R502 PolarHBondContact O-N 3.33Å; T499-R502 WeakPolarHBondContact OG1-CD 3.33Å; T499-R502 WeakPolarHBondContact OG1-CG 3.49Å; L500-R502 PolarHBondContact O-N 3.04Å; L500-R502 VanDerWaalsContact O-N 3.12Å; R502-E504 PolarHBondContact O-N 2.84Å; R502-V505 VanDerWaalsContact O-CG2 3.29Å; R502-V505 WeakPolarHBondContact O-CG2 3.49Å; R502-V505 PolarHBondContact O-N 3.07Å; R502-I506 HydrophobicContact CB-CD1 4.29Å; R502-I506 HydrophobicContact CB-CG1 4.26Å; R502-I506 WeakPolarHBondContact O-CG1 3.1Å; R502-I506 PolarHBondContact O-N 3.46Å; R502-F508 HydrophobicContact CB-CE2 3.7Å; R502-F508 HydrophobicContact CB-CZ 3.97Å
503	E	89.7	Confident	92.4	Very high	97 Å²	97	37.4 Å²	37.4	45%	0.453	19%	0.194	S	C	.	.	H	α-helix	trans	-62	-24.9	177.4	-165.8	167.6	-165	0	0	112.8	T499 L500 V505 I506 F508	T499-E503 PolarHBondContact O-N 2.86Å; L500-E503 PolarHBondContact O-N 3Å; L500-E503 VanDerWaalsContact O-N 3.09Å; E503-V505 VanDerWaalsContact C-N 3.26Å; E503-V505 PolarHBondContact O-N 2.8Å; E503-I506 WeakPolarHBondContact CA-O 3.4Å; E503-F508 HydrophobicContact CB-CD2 4.4Å
504	E	89.1	Confident	92.1	Very high	98 Å²	98	41.8 Å²	41.8	46%	0.458	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-33.7	166.9	-76.1	171.8	-157.8	0	0	113.7	L500 R502 K759	L500-E504 PolarHBondContact O-N 2.98Å; R502-E504 PolarHBondContact O-N 2.84Å; E504-K759 PolarHBondContact O-NZ 2.87Å
505	V	90.1	Very high	92	Very high	36 Å²	36	42 Å²	42	22%	0.218	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.9	-21.3	-169.3	-62.7	0	0	0	0	115.3	W477 V481 V485 R502 E503	W477-V505 HydrophobicContact CD2-CG2 4.47Å; W477-V505 HydrophobicContact CZ2-CG1 4.45Å; W477-V505 HydrophobicContact CZ2-CG2 3.79Å; V481-V505 HydrophobicContact CG1-CG2 4.06Å; V485-V505 HydrophobicContact CG2-CB 3.99Å; V485-V505 HydrophobicContact CG2-CG2 4.01Å; R502-V505 VanDerWaalsContact O-CG2 3.29Å; R502-V505 WeakPolarHBondContact O-CG2 3.49Å; R502-V505 PolarHBondContact O-N 3.07Å; E503-V505 VanDerWaalsContact C-N 3.26Å; E503-V505 PolarHBondContact O-N 2.8Å
506	I	94.5	Very high	91.9	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	146.1	177.9	49.8	167.4	0	0	0	110.6	V481 L484 V485 L496 R502 E503 F508 A756	V481-I506 HydrophobicContact CB-CD1 4.37Å; V481-I506 HydrophobicContact CG1-CD1 3.99Å; V481-I506 HydrophobicContact CG1-CG1 4.37Å; V481-I506 HydrophobicContact CG2-CD1 3.94Å; L484-I506 HydrophobicContact CB-CG2 3.82Å; L484-I506 HydrophobicContact CD1-CD1 4.4Å; L484-I506 HydrophobicContact CD1-CG2 4.2Å; V485-I506 HydrophobicContact CG2-CG2 3.75Å; L496-I506 HydrophobicContact CD2-CD1 4.28Å; R502-I506 HydrophobicContact CB-CD1 4.29Å; R502-I506 HydrophobicContact CB-CG1 4.26Å; R502-I506 WeakPolarHBondContact O-CG1 3.1Å; R502-I506 PolarHBondContact O-N 3.46Å; E503-I506 WeakPolarHBondContact CA-O 3.4Å; I506-F508 HydrophobicContact CD1-CE2 4.02Å; I506-F508 HydrophobicContact CD1-CZ 3.85Å; I506-F508 HydrophobicContact CG1-CE2 4.06Å; I506-F508 HydrophobicContact CG1-CZ 4.41Å; I506-A756 HydrophobicContact CD1-CB 3.82Å
507	D	94.4	Very high	91.9	Very high	12 Å²	12	42 Å²	42	6%	0.064	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	127.4	179.8	-82.9	-33.1	0	0	0	111.1	A756 T757 G760 R764	D507-A756 WeakPolarHBondContact O-CA 3.46Å; D507-T757 PolarHBondContact N-O 2.86Å; D507-T757 PolarHBondContact O-N 2.89Å; D507-T757 PolarHBondContact O-OG1 2.75Å; D507-T757 VanDerWaalsContact O-OG1 3.09Å; D507-G760 PolarHBondContact OD2-N 3.13Å; D507-R764 HydrophobicContact CB-CG 4.24Å; D507-R764 IonicContact OD1-CZ 2.76Å; D507-R764 IonicContact OD1-NH1 2.77Å; D507-R764 PolarHBondContact OD1-NH1 3.27Å; D507-R764 IonicContact OD1-NH2 2.94Å; D507-R764 PolarHBondContact OD1-NH2 3.36Å; D507-R764 IonicContact OD2-CZ 2.66Å; D507-R764 IonicContact OD2-NE 2.6Å; D507-R764 IonicContact OD2-NH1 2.89Å; D507-R764 PolarHBondContact OD2-NH1 3.33Å
508	F	95.1	Very high	91.9	Very high	10 Å²	10	41.9 Å²	41.9	4%	0.044	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	152.2	174.3	-73.3	-85.5	0	0	0	113.2	L496 I498 R502 E503 I506 I755 A756	L496-F508 HydrophobicContact CD2-CE1 3.87Å; L496-F508 HydrophobicContact CD2-CZ 4.1Å; L496-F508 HydrophobicContact CG-CE1 4.07Å; L496-F508 HydrophobicContact CG-CZ 4.31Å; I498-F508 HydrophobicContact CG1-CB 4.41Å; I498-F508 HydrophobicContact CG1-CD1 3.78Å; I498-F508 HydrophobicContact CG1-CE1 4.13Å; I498-F508 HydrophobicContact CG1-CG 4.06Å; I498-F508 HydrophobicContact CG2-CD2 4.14Å; I498-F508 HydrophobicContact CG2-CE2 4.48Å; I498-F508 HydrophobicContact CG2-CG 4.26Å; R502-F508 HydrophobicContact CB-CE2 3.7Å; R502-F508 HydrophobicContact CB-CZ 3.97Å; E503-F508 HydrophobicContact CB-CD2 4.4Å; I506-F508 HydrophobicContact CD1-CE2 4.02Å; I506-F508 HydrophobicContact CD1-CZ 3.85Å; I506-F508 HydrophobicContact CG1-CE2 4.06Å; I506-F508 HydrophobicContact CG1-CZ 4.41Å; F508-I755 CarbonylContact C-O 3.55Å; F508-I755 WeakPolarHBondContact CA-O 3.44Å; F508-A756 HydrophobicContact CD1-CB 4.04Å; F508-A756 HydrophobicContact CE1-CB 3.91Å; F508-A756 HydrophobicContact CZ-CB 4.44Å
509	S	94.5	Very high	92	Very high	10 Å²	10	39.9 Å²	39.9	7%	0.07	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-71.6	170.5	159.4	72	0	0	0	0	111.5	I755	S509-I755 PolarHBondContact N-O 3.4Å; S509-I755 PolarHBondContact OG-N 3.1Å
510	K	94.1	Very high	92.2	Very high	125 Å²	125	38.2 Å²	38.2	54%	0.543	20%	0.204	S	C	.	.	S	Bend	trans	-54.1	147.2	156.2	-67.8	-58.7	-177.5	-174.4	0	110.1	N768 L772	K510-N768 WeakPolarHBondContact CG-OD1 3.43Å; K510-N768 PolarHBondContact N-OD1 3.26Å; K510-L772 HydrophobicContact CB-CD2 4.36Å; K510-L772 HydrophobicContact CG-CD2 4.29Å
511	P	95.1	Very high	92.6	Very high	60 Å²	60	32.3 Å²	32.3	39%	0.39	17%	0.173	S	C	.	.	P	Polyproline II helix	trans	-66.2	136.2	-176.6	26.2	-34	0	0	0	111.1	I498 Y753	I498-P511 HydrophobicContact CD1-CB 4.02Å; P511-Y753 CarbonylContact C-O 3.57Å; P511-Y753 WeakPolarHBondContact CA-O 3.33Å; P511-Y753 WeakPolarHBondContact CB-O 3.33Å
512	F	94.2	Very high	92.7	Very high	9 Å²	9	31.3 Å²	31.3	4%	0.039	16%	0.163	C	C	.	.	S	Bend	trans	-92.7	-13.6	176.7	66.6	-99.2	0	0	0	112.7	Y441 L445 Y753 I755 V771 L780	Y441-F512 HydrophobicContact CD1-CE2 4.46Å; Y441-F512 AromaticContact CE1-CD2 3.85Å; Y441-F512 HydrophobicContact CE1-CD2 3.85Å; Y441-F512 AromaticContact CE1-CE2 3.63Å; Y441-F512 HydrophobicContact CE1-CE2 3.63Å; L445-F512 HydrophobicContact CD2-CD1 4.32Å; L445-F512 HydrophobicContact CD2-CD2 3.97Å; L445-F512 HydrophobicContact CD2-CE1 4.43Å; L445-F512 HydrophobicContact CD2-CE2 4.12Å; L445-F512 HydrophobicContact CD2-CG 4.08Å; L445-F512 HydrophobicContact CD2-CZ 4.34Å; F512-Y753 VanDerWaalsContact CD1-O 3.3Å; F512-Y753 WeakPolarHBondContact CD1-O 3.37Å; F512-Y753 HydrophobicContact CE2-CD2 4.29Å; F512-Y753 HydrophobicContact CZ-CD2 4.2Å; F512-Y753 HydrophobicContact CZ-CG 4.18Å; F512-Y753 PolarHBondContact N-O 3.07Å; F512-I755 HydrophobicContact CD1-CG1 4.06Å; F512-I755 HydrophobicContact CE1-CG1 4.31Å; F512-V771 HydrophobicContact CB-CG1 4Å; F512-L780 HydrophobicContact CB-CD1 4.08Å
513	M	93	Very high	92.4	Very high	15 Å²	15	34.4 Å²	34.4	7%	0.074	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	122.7	178.1	-173.4	174	-70	0	0	110.1	Y441 T728 G752 Y753 K784 W788	Y441-M513 HydrophobicContact CD2-CE 4.34Å; Y441-M513 HydrophobicContact CE1-CE 3.94Å; Y441-M513 HydrophobicContact CE2-CE 3.71Å; M513-T728 HydrophobicContact CG-CG2 4.04Å; M513-T728 HydrophobicContact SD-CG2 3.48Å; M513-T728 WeakPolarHBondContact SD-CG2 3.39Å; M513-G752 CarbonylContact O-C 3.58Å; M513-G752 WeakPolarHBondContact O-CA 3.32Å; M513-Y753 HydrophobicContact CB-CD2 4.36Å; M513-Y753 PolarHBondContact O-N 3.5Å; M513-Y753 HydrophobicContact SD-CD2 4.44Å; M513-K784 HydrophobicContact CE-CB 4.36Å; M513-K784 HydrophobicContact CE-CG 4.23Å; M513-W788 HydrophobicContact CE-CH2 4.08Å; M513-W788 HydrophobicContact CE-CZ3 4.29Å; M513-W788 HydrophobicContact SD-CH2 4.37Å; M513-W788 HydrophobicContact SD-CZ2 4.49Å
514	S	91.9	Very high	91.9	Very high	96 Å²	96	31.4 Å²	31.4	67%	0.671	17%	0.166	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-85.4	141.9	175.3	-58.3	0	0	0	0	111.3	K751	S514-K751 WeakPolarHBondContact CA-O 3.34Å
515	L	92.1	Very high	91	Very high	6 Å²	6	35.4 Å²	35.4	3%	0.031	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	-179.9	-173.5	62.9	96.1	0	0	0	111.2	E726 T728 K751 Y753	L515-E726 HydrophobicContact CD1-CB 4.03Å; L515-E726 HydrophobicContact CD1-CG 3.79Å; L515-T728 HydrophobicContact CB-CG2 3.86Å; L515-T728 HydrophobicContact CD2-CG2 4.36Å; L515-K751 HydrophobicContact CD1-CB 3.63Å; L515-K751 HydrophobicContact CD1-CD 4.39Å; L515-K751 HydrophobicContact CG-CB 4.14Å; L515-K751 PolarHBondContact N-O 3.08Å; L515-K751 CarbonylContact O-C 3.25Å; L515-K751 WeakPolarHBondContact O-CA 3.22Å; L515-K751 PolarHBondContact O-N 2.95Å; L515-Y753 HydrophobicContact CD2-CD1 3.61Å; L515-Y753 HydrophobicContact CD2-CD2 3.56Å; L515-Y753 HydrophobicContact CD2-CE1 3.47Å; L515-Y753 VanDerWaalsContact CD2-CE1 3.47Å; L515-Y753 HydrophobicContact CD2-CE2 3.42Å; L515-Y753 VanDerWaalsContact CD2-CE2 3.42Å; L515-Y753 HydrophobicContact CD2-CG 3.65Å
516	G	91.1	Very high	89.8	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.195	C	C	.	.			trans	-165	174.2	168.2	0	0	0	0	0	111.5	S518 E726 S727 N747 D749	G516-S518 PolarHBondContact O-N 3.18Å; G516-E726 CarbonylContact O-C 3.57Å; G516-E726 WeakPolarHBondContact O-CA 3.45Å; G516-S727 PolarHBondContact N-OG 3.02Å; G516-S727 WeakPolarHBondContact O-CB 3.3Å; G516-S727 PolarHBondContact O-N 3.25Å; G516-N747 PolarHBondContact N-ND2 2.78Å; G516-D749 WeakPolarHBondContact CA-O 3.23Å; G516-D749 WeakPolarHBondContact CA-OD1 3.38Å
517	I	91.8	Very high	88	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	131.6	172.9	-52.8	164.8	0	0	0	108.2	T673 F676 F677 L724 N747 L748 D749	I517-T673 HydrophobicContact CD1-CG2 3.86Å; I517-T673 HydrophobicContact CG1-CG2 3.93Å; I517-T673 HydrophobicContact CG2-CG2 3.79Å; I517-F676 HydrophobicContact CD1-CB 4.26Å; I517-F676 HydrophobicContact CD1-CD1 3.32Å; I517-F676 HydrophobicContact CD1-CD2 4.42Å; I517-F676 HydrophobicContact CD1-CE1 3.64Å; I517-F676 HydrophobicContact CD1-CG 3.76Å; I517-F676 HydrophobicContact CD1-CZ 4.3Å; I517-F677 HydrophobicContact CD1-CE2 4.33Å; I517-L724 HydrophobicContact CG2-CB 4.26Å; I517-N747 CarbonylContact O-C 3.1Å; I517-N747 WeakPolarHBondContact O-CA 3.24Å; I517-L748 HydrophobicContact CB-CB 4.33Å; I517-L748 HydrophobicContact CB-CD1 4.37Å; I517-L748 HydrophobicContact CG2-CD1 4.06Å; I517-L748 PolarHBondContact O-N 3.48Å; I517-D749 WeakPolarHBondContact CD1-OD2 3.48Å; I517-D749 PolarHBondContact N-OD1 3.16Å
518	S	93.4	Very high	86.3	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	160	-179.6	68.7	0	0	0	0	110.8	G516 L724 L725 S727 N730	G516-S518 PolarHBondContact O-N 3.18Å; S518-L724 WeakPolarHBondContact O-CA 3.38Å; S518-L725 PolarHBondContact N-O 2.83Å; S518-L725 PolarHBondContact O-N 3.49Å; S518-L725 VanDerWaalsContact O-N 3.17Å; S518-L725 PolarHBondContact OG-O 2.83Å; S518-S727 WeakPolarHBondContact OG-CA 3.14Å; S518-N730 WeakPolarHBondContact OG-CB 3.45Å; S518-N730 PolarHBondContact OG-ND2 2.66Å
519	I	93.9	Very high	84.8	Confident	1 Å²	1	52.4 Å²	52.4	1%	0.005	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	123.7	177.2	-51.5	164.7	0	0	0	108.5	I521 A654 L657 A722 L724 N730 K743 V744	I519-I521 HydrophobicContact CG2-CG2 3.97Å; I519-A654 HydrophobicContact CD1-CB 4.13Å; I519-L657 HydrophobicContact CD1-CD1 3.87Å; I519-L657 HydrophobicContact CG1-CD1 4.12Å; I519-L657 HydrophobicContact CG2-CD1 3.91Å; I519-A722 HydrophobicContact CG2-CB 4.11Å; I519-L724 HydrophobicContact CB-CD2 4.43Å; I519-L724 HydrophobicContact CG1-CD2 3.82Å; I519-N730 VanDerWaalsContact C-ND2 3.32Å; I519-N730 PolarHBondContact O-ND2 3.41Å; I519-K743 WeakPolarHBondContact O-CA 3.42Å; I519-V744 HydrophobicContact CB-CG2 3.72Å; I519-V744 HydrophobicContact CD1-CG2 4.36Å; I519-V744 HydrophobicContact CG2-CG2 3.64Å; I519-V744 PolarHBondContact O-N 3.35Å; I519-V744 VanDerWaalsContact O-N 3.08Å
520	M	93.6	Very high	83.5	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	123.1	164.5	178.8	-175.6	-71.9	0	0	109.3	V711 V714 A722 Y723 L725 N730 I733 T741	M520-V711 HydrophobicContact CE-CG2 4.14Å; M520-V711 HydrophobicContact SD-CG2 3.98Å; M520-V714 HydrophobicContact CG-CG1 4.43Å; M520-A722 WeakPolarHBondContact O-CA 3.24Å; M520-Y723 PolarHBondContact N-O 3.36Å; M520-Y723 PolarHBondContact O-N 2.93Å; M520-L725 HydrophobicContact CB-CD2 3.56Å; M520-L725 HydrophobicContact CE-CD1 4.03Å; M520-L725 HydrophobicContact CE-CD2 4.05Å; M520-N730 WeakPolarHBondContact CB-OD1 3.38Å; M520-N730 HydrophobicContact CE-CB 4.4Å; M520-N730 VanDerWaalsContact CE-OD1 3.29Å; M520-N730 WeakPolarHBondContact CE-OD1 3.49Å; M520-I733 HydrophobicContact CE-CB 3.68Å; M520-I733 HydrophobicContact CE-CG1 4.29Å; M520-I733 HydrophobicContact CE-CG2 3.59Å; M520-I733 HydrophobicContact SD-CG2 4.28Å; M520-T741 HydrophobicContact CG-CG2 4.11Å; M520-T741 HydrophobicContact SD-CG2 3.8Å
521	I	92.8	Very high	82.5	Confident	6 Å²	6	51.2 Å²	51.2	3%	0.031	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	166.1	167.3	64	168.9	0	0	0	110.4	I519 K523 I651 V714 A722 T741 M742 V744	I519-I521 HydrophobicContact CG2-CG2 3.97Å; I521-K523 PolarHBondContact O-N 2.88Å; I521-I651 HydrophobicContact CG2-CD1 4.24Å; I521-V714 VanDerWaalsContact C-CG1 3.49Å; I521-A722 HydrophobicContact CG2-CB 3.93Å; I521-T741 WeakPolarHBondContact O-CA 3.49Å; I521-M742 HydrophobicContact CD1-CG 4.22Å; I521-M742 HydrophobicContact CD1-SD 4.3Å; I521-M742 HydrophobicContact CG1-CG 3.69Å; I521-M742 HydrophobicContact CG1-SD 4.4Å; I521-M742 PolarHBondContact N-O 3.45Å; I521-M742 VanDerWaalsContact N-O 3.12Å; I521-M742 PolarHBondContact O-N 3.37Å; I521-V744 HydrophobicContact CD1-CG1 3.59Å; I521-V744 HydrophobicContact CD1-CG2 4.25Å; I521-V744 HydrophobicContact CG1-CG1 3.88Å; I521-V744 HydrophobicContact CG1-CG2 4.18Å; I521-V744 HydrophobicContact CG2-CG2 4.01Å
522	K	90.8	Very high	81.5	Confident	59 Å²	59	54 Å²	54	26%	0.257	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	128.8	165.8	-163.4	174.8	-172.1	160.1	0	108.5	V714 R715 D740	K522-V714 HydrophobicContact CB-CG1 4.08Å; K522-V714 VanDerWaalsContact N-CG1 3.27Å; K522-R715 PolarHBondContact NZ-O 3.4Å; K522-D740 CarbonylContact C-O 3.6Å; K522-D740 WeakPolarHBondContact CA-O 3.49Å; K522-D740 VanDerWaalsContact CE-OD2 3.3Å; K522-D740 WeakPolarHBondContact CE-OD2 3.4Å; K522-D740 WeakPolarHBondContact CG-O 3.21Å; K522-D740 IonicContact NZ-OD2 2.74Å; K522-D740 PolarHBondContact NZ-OD2 2.79Å
523	K	86.5	Confident	80.7	Confident	82 Å²	82	53.9 Å²	53.9	36%	0.357	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-58.5	124.7	175.7	-169.9	168.4	-170.7	162.6	0	108.9	I521 Q525 D740 M742	I521-K523 PolarHBondContact O-N 2.88Å; K523-Q525 PolarHBondContact O-N 2.99Å; K523-D740 PolarHBondContact N-O 3.42Å; K523-M742 HydrophobicContact CB-CB 4.4Å; K523-M742 HydrophobicContact CB-CG 4.28Å; K523-M742 HydrophobicContact CB-SD 4.25Å; K523-M742 HydrophobicContact CG-SD 3.99Å
524	P	79.1	Confident	80	Confident	35 Å²	35	54.7 Å²	54.7	23%	0.227	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-64	134.7	-178.8	26.1	-32.8	0	0	0	109.4	M647 M742	P524-M647 HydrophobicContact CG-CB 4.45Å; P524-M742 VanDerWaalsContact CD-SD 3.54Å
525	Q	68.9	Low	79.6	Confident	182 Å²	182	53.1 Å²	53.1	85%	0.85	28%	0.276	S	S	*	.	P	Polyproline II helix	trans	-70.7	147.6	165.8	-65.2	-172.8	-51.6	0	0	108.3	K523 S527	K523-Q525 PolarHBondContact O-N 2.99Å; Q525-S527 PolarHBondContact O-N 3.26Å
526	K	64.7	Low	79.2	Confident	100 Å²	100	57.2 Å²	57.2	44%	0.435	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-52.7	119	175	-59.2	-162.6	-170.9	-171.4	0	109.1	K528 E645 M647	K526-K528 PolarHBondContact O-N 3.37Å; K526-E645 HydrophobicContact CD-CB 4.04Å; K526-E645 WeakPolarHBondContact CD-OE2 3.38Å; K526-E645 WeakPolarHBondContact CE-OE2 3.34Å; K526-E645 IonicContact NZ-OE2 2.6Å; K526-E645 PolarHBondContact NZ-OE2 2.88Å; K526-M647 HydrophobicContact CG-CE 4.25Å; K526-M647 HydrophobicContact CG-CG 4.49Å
527	S	57.4	Low	79	Confident	91 Å²	91	57.7 Å²	57.7	64%	0.636	30%	0.3	S	S	*	.	P	Polyproline II helix	trans	-65	119.1	-177.8	48.4	0	0	0	0	109.1	Q525	Q525-S527 PolarHBondContact O-N 3.26Å
528	K	57.9	Low	78.8	Confident	186 Å²	186	58.4 Å²	58.4	81%	0.809	30%	0.304	S	S	*	.	P	Polyproline II helix	trans	-56.3	128.9	169.6	-67.4	-174.6	178.3	-175.6	0	108	K526	K526-K528 PolarHBondContact O-N 3.37Å
529	P	63.9	Low	78.6	Confident	38 Å²	38	60.8 Å²	60.8	25%	0.247	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-55.7	145	179.1	-26.7	35.4	0	0	0	111.6	S533	P529-S533 VanDerWaalsContact CB-OG 3.25Å; P529-S533 WeakPolarHBondContact CB-OG 3.32Å
530	G	66.4	Low	78.4	Confident	47 Å²	47	68.6 Å²	68.6	49%	0.485	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-64.4	158.8	175.9	0	0	0	0	0	111.5	F532 S533	G530-F532 PolarHBondContact O-N 2.9Å; G530-S533 VanDerWaalsContact O-CB 3.3Å; G530-S533 WeakPolarHBondContact O-CB 3.25Å; G530-S533 PolarHBondContact O-N 2.75Å; G530-S533 PolarHBondContact O-OG 3.03Å
531	V	73.7	Confident	78.2	Confident	62 Å²	62	74.5 Å²	74.5	38%	0.376	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-26.1	179.6	175.5	0	0	0	0	112.7	G815 Y818	V531-G815 VanDerWaalsContact O-CA 3.3Å; V531-G815 WeakPolarHBondContact O-CA 3.28Å; V531-G815 PolarHBondContact O-N 2.97Å; V531-Y818 HydrophobicContact CG1-CD2 3.66Å; V531-Y818 HydrophobicContact CG1-CE2 3.68Å
532	F	75.3	Confident	78.2	Confident	118 Å²	118	77.3 Å²	77.3	52%	0.518	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	13.3	179	-61.8	-68.9	0	0	0	114.8	G530 F534 L535	G530-F532 PolarHBondContact O-N 2.9Å; F532-F534 HydrophobicContact CD1-CE1 4.06Å; F532-F534 HydrophobicContact CD1-CZ 4.17Å; F532-F534 PolarHBondContact O-N 3.4Å; F532-L535 HydrophobicContact CB-CD1 4.28Å; F532-L535 WeakPolarHBondContact O-CB 3.3Å; F532-L535 PolarHBondContact O-N 3.15Å
533	S	75.8	Confident	78.2	Confident	8 Å²	8	78.3 Å²	78.3	6%	0.056	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-2.7	-173.6	72.7	0	0	0	0	115.7	P529 G530 L535 D536	P529-S533 VanDerWaalsContact CB-OG 3.25Å; P529-S533 WeakPolarHBondContact CB-OG 3.32Å; G530-S533 VanDerWaalsContact O-CB 3.3Å; G530-S533 WeakPolarHBondContact O-CB 3.25Å; G530-S533 PolarHBondContact O-N 2.75Å; G530-S533 PolarHBondContact O-OG 3.03Å; S533-L535 VanDerWaalsContact C-N 3.27Å; S533-D536 WeakPolarHBondContact CA-OD2 3.4Å; S533-D536 WeakPolarHBondContact CB-OD2 3.44Å
534	F	78.8	Confident	78.4	Confident	31 Å²	31	77.8 Å²	77.8	14%	0.136	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-11.4	168.5	67.4	-90	0	0	0	112.3	F532 P537 Y634 V816 I819	F532-F534 HydrophobicContact CD1-CE1 4.06Å; F532-F534 HydrophobicContact CD1-CZ 4.17Å; F532-F534 PolarHBondContact O-N 3.4Å; F534-P537 WeakPolarHBondContact O-CD 3.11Å; F534-Y634 VanDerWaalsContact O-CE2 3.28Å; F534-Y634 WeakPolarHBondContact O-CE2 3.44Å; F534-Y634 PolarHBondContact O-OH 3.42Å; F534-V816 HydrophobicContact CD1-CG2 4.02Å; F534-V816 HydrophobicContact CD2-CG2 4.49Å; F534-V816 HydrophobicContact CE1-CG2 4.24Å; F534-V816 HydrophobicContact CG-CG2 4.17Å; F534-I819 HydrophobicContact CE2-CD1 4.37Å; F534-I819 HydrophobicContact CZ-CD1 3.66Å
535	L	84.9	Confident	79	Confident	64 Å²	64	80 Å²	80	34%	0.335	41%	0.414	S	S	.	.	S	Bend	trans	-84.5	-33.7	172.7	-62.1	178.9	0	0	0	112.1	F532 S533 P537 L538 W543	F532-L535 HydrophobicContact CB-CD1 4.28Å; F532-L535 WeakPolarHBondContact O-CB 3.3Å; F532-L535 PolarHBondContact O-N 3.15Å; S533-L535 VanDerWaalsContact C-N 3.27Å; L535-P537 VanDerWaalsContact C-N 3.3Å; L535-P537 WeakPolarHBondContact O-CD 3.31Å; L535-P537 VanDerWaalsContact O-N 3.11Å; L535-L538 PolarHBondContact O-N 2.96Å; L535-L538 VanDerWaalsContact O-N 3.11Å; L535-W543 HydrophobicContact CD2-CH2 4.15Å; L535-W543 HydrophobicContact CD2-CZ2 3.71Å; L535-W543 PolarHBondContact O-NE1 3.34Å
536	D	83.3	Confident	80.1	Confident	91 Å²	91	72 Å²	72	49%	0.487	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.5	-31.8	-178.7	-53.9	-2.9	0	0	0	116.3	S533 L538 F641	S533-D536 WeakPolarHBondContact CA-OD2 3.4Å; S533-D536 WeakPolarHBondContact CB-OD2 3.44Å; D536-L538 PolarHBondContact O-N 3.27Å; D536-L538 VanDerWaalsContact O-N 3.11Å; D536-F641 HydrophobicContact CB-CE1 4.29Å; D536-F641 HydrophobicContact CB-CE2 4.22Å; D536-F641 HydrophobicContact CB-CZ 3.88Å
537	P	86.8	Confident	81.3	Confident	10 Å²	10	70.8 Å²	70.8	7%	0.065	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-11.7	176.6	-25.7	36.5	0	0	0	115.7	F534 L535 Y634 N637 L638	F534-P537 WeakPolarHBondContact O-CD 3.11Å; L535-P537 VanDerWaalsContact C-N 3.3Å; L535-P537 WeakPolarHBondContact O-CD 3.31Å; L535-P537 VanDerWaalsContact O-N 3.11Å; P537-Y634 HydrophobicContact CB-CD2 4.1Å; P537-Y634 HydrophobicContact CB-CE2 4.11Å; P537-Y634 HydrophobicContact CG-CE2 4.19Å; P537-N637 HydrophobicContact CB-CB 3.8Å; P537-N637 WeakPolarHBondContact O-CB 3.4Å; P537-N637 PolarHBondContact O-ND2 3Å; P537-L638 HydrophobicContact CB-CB 4.35Å; P537-L638 HydrophobicContact CG-CB 4.01Å; P537-L638 HydrophobicContact CG-CD1 3.85Å
538	L	88	Confident	82.9	Confident	15 Å²	15	72.9 Å²	72.9	8%	0.079	38%	0.376	C	S	.	.	S	Bend	trans	-130.8	132.9	170.4	-71.5	174.9	0	0	0	110	L535 D536 I542 W543 I546 Y634	L535-L538 PolarHBondContact O-N 2.96Å; L535-L538 VanDerWaalsContact O-N 3.11Å; D536-L538 PolarHBondContact O-N 3.27Å; D536-L538 VanDerWaalsContact O-N 3.11Å; L538-I542 HydrophobicContact CD2-CD1 4.07Å; L538-I542 HydrophobicContact CD2-CG2 4.31Å; L538-W543 HydrophobicContact CB-CZ2 4.48Å; L538-W543 HydrophobicContact CD1-CZ2 4.31Å; L538-W543 PolarHBondContact O-NE1 3.38Å; L538-I546 HydrophobicContact CD1-CD1 4.41Å; L538-Y634 HydrophobicContact CD1-CD2 4Å; L538-Y634 HydrophobicContact CG-CD2 4.12Å
539	A	88.4	Confident	84.4	Confident	51 Å²	51	65.7 Å²	65.7	42%	0.421	35%	0.351	S	S	.	.			trans	-62	150.7	178.1	0	0	0	0	0	111.9	E541 I542 W543	A539-E541 VanDerWaalsContact CB-OE2 3.31Å; A539-E541 WeakPolarHBondContact CB-OE2 3.29Å; A539-E541 PolarHBondContact O-N 3.32Å; A539-I542 HydrophobicContact CB-CD1 4.17Å; A539-I542 HydrophobicContact CB-CG1 4.33Å; A539-I542 WeakPolarHBondContact O-CB 3.28Å; A539-I542 PolarHBondContact O-N 3.36Å; A539-W543 PolarHBondContact O-N 2.96Å
540	Y	88.7	Confident	85.7	Confident	164 Å²	164	65.9 Å²	65.9	64%	0.643	35%	0.347	S	S	*	.	H	α-helix	trans	-58.5	-34.5	-174.6	177.7	-100.8	0	0	0	112.8	I542 W543 M544	Y540-I542 VanDerWaalsContact C-N 3.28Å; Y540-I542 PolarHBondContact O-N 3.36Å; Y540-W543 WeakPolarHBondContact O-CB 3.1Å; Y540-W543 PolarHBondContact O-N 3.19Å; Y540-M544 HydrophobicContact CD1-CG 4.2Å; Y540-M544 HydrophobicContact CE1-CG 3.72Å; Y540-M544 HydrophobicContact CE1-SD 4.3Å; Y540-M544 HydrophobicContact CE2-CG 4.48Å; Y540-M544 WeakPolarHBondContact O-CG 3.26Å; Y540-M544 PolarHBondContact O-N 3.43Å
541	E	90.9	Very high	86.8	Confident	125 Å²	125	67.6 Å²	67.6	58%	0.584	34%	0.344	S	S	*	.	H	α-helix	trans	-59.8	-39	174.8	-58.7	75.1	-166.8	0	0	111.4	A539 M544 C545	A539-E541 VanDerWaalsContact CB-OE2 3.31Å; A539-E541 WeakPolarHBondContact CB-OE2 3.29Å; A539-E541 PolarHBondContact O-N 3.32Å; E541-M544 PolarHBondContact O-N 2.93Å; E541-C545 WeakPolarHBondContact O-CB 3.36Å; E541-C545 PolarHBondContact O-N 2.88Å; E541-C545 PolarHBondContact O-SG 3.05Å; E541-C545 VanDerWaalsContact O-SG 3.33Å
542	I	91.9	Very high	87.5	Confident	65 Å²	65	66.3 Å²	66.3	33%	0.333	34%	0.343	S	S	.	.	H	α-helix	trans	-69.5	-41.5	178.4	-54.2	171.2	0	0	0	110	L538 A539 Y540 M544 C545 I546	L538-I542 HydrophobicContact CD2-CD1 4.07Å; L538-I542 HydrophobicContact CD2-CG2 4.31Å; A539-I542 HydrophobicContact CB-CD1 4.17Å; A539-I542 HydrophobicContact CB-CG1 4.33Å; A539-I542 WeakPolarHBondContact O-CB 3.28Å; A539-I542 PolarHBondContact O-N 3.36Å; Y540-I542 VanDerWaalsContact C-N 3.28Å; Y540-I542 PolarHBondContact O-N 3.36Å; I542-M544 PolarHBondContact O-N 2.97Å; I542-C545 PolarHBondContact O-N 2.93Å; I542-I546 HydrophobicContact CG2-CD1 3.91Å; I542-I546 HydrophobicContact CG2-CG1 4.4Å; I542-I546 VanDerWaalsContact O-CG1 3.27Å; I542-I546 WeakPolarHBondContact O-CG1 3.37Å; I542-I546 PolarHBondContact O-N 3.44Å
543	W	90.2	Very high	88.1	Confident	79 Å²	79	62 Å²	62	30%	0.299	33%	0.327	S	S	.	.	H	α-helix	trans	-59.1	-44.9	173.9	-73.5	108	0	0	0	112.1	L535 L538 A539 Y540 I546 V547 Y634	L535-W543 HydrophobicContact CD2-CH2 4.15Å; L535-W543 HydrophobicContact CD2-CZ2 3.71Å; L535-W543 PolarHBondContact O-NE1 3.34Å; L538-W543 HydrophobicContact CB-CZ2 4.48Å; L538-W543 HydrophobicContact CD1-CZ2 4.31Å; L538-W543 PolarHBondContact O-NE1 3.38Å; A539-W543 PolarHBondContact O-N 2.96Å; Y540-W543 WeakPolarHBondContact O-CB 3.1Å; Y540-W543 PolarHBondContact O-N 3.19Å; W543-I546 PolarHBondContact O-N 3.43Å; W543-V547 PolarHBondContact O-N 2.99Å; W543-V547 VanDerWaalsContact O-N 3.14Å; W543-Y634 HydrophobicContact CZ2-CE2 4.38Å
544	M	90.6	Very high	88.6	Confident	72 Å²	72	61.9 Å²	61.9	36%	0.355	33%	0.326	S	S	.	.	H	α-helix	trans	-62.3	-44.5	174.6	-68.6	-62.8	-65.6	0	0	112	Y540 E541 I542 I546 V547 F548	Y540-M544 HydrophobicContact CD1-CG 4.2Å; Y540-M544 HydrophobicContact CE1-CG 3.72Å; Y540-M544 HydrophobicContact CE1-SD 4.3Å; Y540-M544 HydrophobicContact CE2-CG 4.48Å; Y540-M544 WeakPolarHBondContact O-CG 3.26Å; Y540-M544 PolarHBondContact O-N 3.43Å; E541-M544 PolarHBondContact O-N 2.93Å; I542-M544 PolarHBondContact O-N 2.97Å; M544-I546 VanDerWaalsContact C-N 3.34Å; M544-I546 PolarHBondContact O-N 3.35Å; M544-V547 PolarHBondContact O-N 3.44Å; M544-F548 HydrophobicContact CB-CE2 4.39Å; M544-F548 HydrophobicContact CE-CE2 3.98Å; M544-F548 HydrophobicContact CE-CZ 4.01Å; M544-F548 WeakPolarHBondContact O-CD2 3.35Å; M544-F548 PolarHBondContact O-N 3.5Å
545	C	92.4	Very high	89	Confident	82 Å²	82	63.6 Å²	63.6	55%	0.554	34%	0.338	S	S	*	.	H	α-helix	trans	-62.1	-36.9	175.5	-74.9	0	0	0	0	113	E541 I542 F548 A549	E541-C545 WeakPolarHBondContact O-CB 3.36Å; E541-C545 PolarHBondContact O-N 2.88Å; E541-C545 PolarHBondContact O-SG 3.05Å; E541-C545 VanDerWaalsContact O-SG 3.33Å; I542-C545 PolarHBondContact O-N 2.93Å; C545-F548 PolarHBondContact O-N 3.32Å; C545-A549 VanDerWaalsContact O-CB 3.23Å; C545-A549 WeakPolarHBondContact O-CB 3.35Å; C545-A549 PolarHBondContact O-N 2.98Å
546	I	91.3	Very high	89	Confident	12 Å²	12	63.7 Å²	63.7	6%	0.062	34%	0.342	C	S	.	.	H	α-helix	trans	-63	-44	174.9	-71.9	162.1	0	0	0	110.7	L538 I542 W543 M544 A549 Y550 F600 I630	L538-I546 HydrophobicContact CD1-CD1 4.41Å; I542-I546 HydrophobicContact CG2-CD1 3.91Å; I542-I546 HydrophobicContact CG2-CG1 4.4Å; I542-I546 VanDerWaalsContact O-CG1 3.27Å; I542-I546 WeakPolarHBondContact O-CG1 3.37Å; I542-I546 PolarHBondContact O-N 3.44Å; W543-I546 PolarHBondContact O-N 3.43Å; M544-I546 VanDerWaalsContact C-N 3.34Å; M544-I546 PolarHBondContact O-N 3.35Å; I546-A549 PolarHBondContact O-N 2.92Å; I546-Y550 VanDerWaalsContact O-CB 3.25Å; I546-Y550 WeakPolarHBondContact O-CB 3.44Å; I546-Y550 PolarHBondContact O-N 3.2Å; I546-F600 HydrophobicContact CG2-CE2 3.64Å; I546-F600 HydrophobicContact CG2-CZ 3.97Å; I546-I630 HydrophobicContact CD1-CG2 3.78Å; I546-I630 HydrophobicContact CG1-CG2 4.48Å
547	V	90.3	Very high	88.8	Confident	75 Å²	75	59.8 Å²	59.8	46%	0.455	32%	0.321	S	S	.	.	H	α-helix	trans	-64.1	-44.7	177.6	174.2	0	0	0	0	111.5	W543 M544 Y550 I551	W543-V547 PolarHBondContact O-N 2.99Å; W543-V547 VanDerWaalsContact O-N 3.14Å; M544-V547 PolarHBondContact O-N 3.44Å; V547-Y550 PolarHBondContact O-N 2.85Å; V547-I551 HydrophobicContact CG1-CD1 4.06Å; V547-I551 WeakPolarHBondContact O-CG1 3.44Å; V547-I551 PolarHBondContact O-N 3.13Å; V547-I551 VanDerWaalsContact O-N 3.08Å
548	F	91.4	Very high	88.5	Confident	135 Å²	135	62 Å²	62	59%	0.592	33%	0.329	S	S	*	.	H	α-helix	trans	-65.4	-40.3	176.2	-67.9	-52.2	0	0	0	112.6	M544 C545 G552	M544-F548 HydrophobicContact CB-CE2 4.39Å; M544-F548 HydrophobicContact CE-CE2 3.98Å; M544-F548 HydrophobicContact CE-CZ 4.01Å; M544-F548 WeakPolarHBondContact O-CD2 3.35Å; M544-F548 PolarHBondContact O-N 3.5Å; C545-F548 PolarHBondContact O-N 3.32Å; F548-G552 PolarHBondContact O-N 3.12Å
549	A	90.4	Very high	88	Confident	35 Å²	35	65 Å²	65	29%	0.289	35%	0.345	S	S	.	.	H	α-helix	trans	-65.2	-41.7	176.4	0	0	0	0	0	112	C545 I546 G552 V553 W623 F626	C545-A549 VanDerWaalsContact O-CB 3.23Å; C545-A549 WeakPolarHBondContact O-CB 3.35Å; C545-A549 PolarHBondContact O-N 2.98Å; I546-A549 PolarHBondContact O-N 2.92Å; A549-G552 PolarHBondContact O-N 3.35Å; A549-V553 WeakPolarHBondContact O-CB 3.19Å; A549-V553 WeakPolarHBondContact O-CG2 3.45Å; A549-V553 PolarHBondContact O-N 3.17Å; A549-W623 HydrophobicContact CB-CZ3 4.07Å; A549-F626 HydrophobicContact CB-CE1 4.48Å
550	Y	89.6	Confident	87.5	Confident	43 Å²	43	64.2 Å²	64.2	17%	0.169	34%	0.335	C	S	.	.	H	α-helix	trans	-58.8	-49.3	175	164.3	-111.9	0	0	0	112.3	I546 V547 S554 L593 S596 L597 W623	I546-Y550 VanDerWaalsContact O-CB 3.25Å; I546-Y550 WeakPolarHBondContact O-CB 3.44Å; I546-Y550 PolarHBondContact O-N 3.2Å; V547-Y550 PolarHBondContact O-N 2.85Å; Y550-S554 WeakPolarHBondContact O-CB 3.42Å; Y550-S554 PolarHBondContact O-N 2.81Å; Y550-S554 PolarHBondContact O-OG 3.07Å; Y550-L593 HydrophobicContact CE1-CG 4.43Å; Y550-L593 WeakPolarHBondContact OH-CD2 3.46Å; Y550-L593 WeakPolarHBondContact OH-CG 3.36Å; Y550-L593 PolarHBondContact OH-O 2.82Å; Y550-S596 WeakPolarHBondContact CE2-OG 3.23Å; Y550-L597 HydrophobicContact CE2-CB 3.88Å; Y550-L597 HydrophobicContact CE2-CD1 4.28Å; Y550-W623 HydrophobicContact CD2-CZ2 4.23Å
551	I	89.8	Confident	86.6	Confident	83 Å²	83	56.5 Å²	56.5	43%	0.426	31%	0.305	S	S	.	.	H	α-helix	trans	-64.3	-45.8	176.5	-64.4	167.7	0	0	0	110.3	V547 V553 S554 V555	V547-I551 HydrophobicContact CG1-CD1 4.06Å; V547-I551 WeakPolarHBondContact O-CG1 3.44Å; V547-I551 PolarHBondContact O-N 3.13Å; V547-I551 VanDerWaalsContact O-N 3.08Å; I551-V553 PolarHBondContact O-N 3.32Å; I551-S554 PolarHBondContact O-N 2.93Å; I551-V555 HydrophobicContact CG2-CG2 4.46Å; I551-V555 WeakPolarHBondContact O-CG2 3.45Å; I551-V555 PolarHBondContact O-N 2.91Å
552	G	89.3	Confident	85.6	Confident	34 Å²	34	56.5 Å²	56.5	35%	0.351	30%	0.3	S	S	.	.	H	α-helix	trans	-58.6	-47.9	179.3	0	0	0	0	0	113	F548 A549 V555 V556	F548-G552 PolarHBondContact O-N 3.12Å; A549-G552 PolarHBondContact O-N 3.35Å; G552-V555 PolarHBondContact O-N 3.14Å; G552-V556 WeakPolarHBondContact O-CG2 3.45Å; G552-V556 PolarHBondContact O-N 3.36Å
553	V	88	Confident	84.4	Confident	28 Å²	28	61.2 Å²	61.2	17%	0.17	32%	0.318	C	S	.	.	H	α-helix	trans	-64.5	-39.9	176.3	169.1	0	0	0	0	111.4	A549 I551 V555 V556 L557 V619 W623	A549-V553 WeakPolarHBondContact O-CB 3.19Å; A549-V553 WeakPolarHBondContact O-CG2 3.45Å; A549-V553 PolarHBondContact O-N 3.17Å; I551-V553 PolarHBondContact O-N 3.32Å; V553-V555 VanDerWaalsContact C-N 3.33Å; V553-V555 PolarHBondContact O-N 3.39Å; V553-V556 PolarHBondContact O-N 3.3Å; V553-L557 HydrophobicContact CG1-CD1 3.86Å; V553-L557 HydrophobicContact CG1-CG 4.29Å; V553-L557 WeakPolarHBondContact O-CB 3.35Å; V553-L557 WeakPolarHBondContact O-CG 3.22Å; V553-L557 PolarHBondContact O-N 2.98Å; V553-V619 HydrophobicContact CG1-CG1 4.2Å; V553-W623 HydrophobicContact CB-CD2 4.39Å; V553-W623 HydrophobicContact CB-CE3 4.26Å; V553-W623 HydrophobicContact CG1-CB 4.12Å; V553-W623 HydrophobicContact CG1-CD2 4.04Å; V553-W623 HydrophobicContact CG1-CE3 4.35Å; V553-W623 HydrophobicContact CG1-CG 3.95Å; V553-W623 HydrophobicContact CG2-CD2 4.3Å; V553-W623 HydrophobicContact CG2-CE3 3.77Å; V553-W623 HydrophobicContact CG2-CZ3 4.22Å
554	S	85.7	Confident	83	Confident	5 Å²	5	58.2 Å²	58.2	4%	0.035	31%	0.309	C	S	.	.	H	α-helix	trans	-62.4	-38.9	176.3	-54.1	0	0	0	0	112.4	Y550 I551 F558 S592 S596	Y550-S554 WeakPolarHBondContact O-CB 3.42Å; Y550-S554 PolarHBondContact O-N 2.81Å; Y550-S554 PolarHBondContact O-OG 3.07Å; I551-S554 PolarHBondContact O-N 2.93Å; S554-F558 WeakPolarHBondContact O-CB 3.37Å; S554-F558 PolarHBondContact O-N 3.35Å; S554-F558 VanDerWaalsContact O-N 3.09Å; S554-S592 PolarHBondContact O-OG 3.02Å; S554-S596 WeakPolarHBondContact OG-CB 3.38Å; S554-S596 PolarHBondContact OG-OG 2.65Å
555	V	86.3	Confident	81.4	Confident	67 Å²	67	59.7 Å²	59.7	41%	0.406	32%	0.324	S	S	.	.	H	α-helix	trans	-71.6	-43.1	175.2	172	0	0	0	0	111.3	I551 G552 V553 F558 L559	I551-V555 HydrophobicContact CG2-CG2 4.46Å; I551-V555 WeakPolarHBondContact O-CG2 3.45Å; I551-V555 PolarHBondContact O-N 2.91Å; G552-V555 PolarHBondContact O-N 3.14Å; V553-V555 VanDerWaalsContact C-N 3.33Å; V553-V555 PolarHBondContact O-N 3.39Å; V555-F558 PolarHBondContact O-N 3.44Å; V555-L559 HydrophobicContact CG1-CD1 3.91Å; V555-L559 HydrophobicContact CG1-CG 4.35Å; V555-L559 VanDerWaalsContact O-CG 3.3Å; V555-L559 WeakPolarHBondContact O-CG 3.43Å; V555-L559 PolarHBondContact O-N 2.66Å
556	V	85	Confident	79.5	Confident	67 Å²	67	64.2 Å²	64.2	41%	0.406	33%	0.331	S	S	.	.	H	α-helix	trans	-62.2	-44.3	176.8	169.3	0	0	0	0	111.1	G552 V553 L559 V560 V619	G552-V556 WeakPolarHBondContact O-CG2 3.45Å; G552-V556 PolarHBondContact O-N 3.36Å; V553-V556 PolarHBondContact O-N 3.3Å; V556-L559 PolarHBondContact O-N 3.18Å; V556-V560 HydrophobicContact CG1-CG2 4.34Å; V556-V560 WeakPolarHBondContact O-CB 3.43Å; V556-V560 VanDerWaalsContact O-CG2 3.26Å; V556-V560 WeakPolarHBondContact O-CG2 3.36Å; V556-V560 PolarHBondContact O-N 3.28Å; V556-V619 HydrophobicContact CG1-CG1 4.1Å; V556-V619 HydrophobicContact CG1-CG2 4.02Å
557	L	79.8	Confident	77.8	Confident	8 Å²	8	64.2 Å²	64.2	4%	0.042	33%	0.33	C	S	.	.	H	α-helix	trans	-61.7	-43	175	-75.1	171.8	0	0	0	112	V553 V560 S561 S592 F595 V619	V553-L557 HydrophobicContact CG1-CD1 3.86Å; V553-L557 HydrophobicContact CG1-CG 4.29Å; V553-L557 WeakPolarHBondContact O-CB 3.35Å; V553-L557 WeakPolarHBondContact O-CG 3.22Å; V553-L557 PolarHBondContact O-N 2.98Å; L557-V560 PolarHBondContact O-N 3.1Å; L557-S561 WeakPolarHBondContact O-CB 3.33Å; L557-S561 PolarHBondContact O-N 3.02Å; L557-S561 PolarHBondContact O-OG 3.26Å; L557-S561 VanDerWaalsContact O-OG 3.09Å; L557-S592 WeakPolarHBondContact CB-OG 3.4Å; L557-F595 HydrophobicContact CD1-CD1 3.81Å; L557-F595 HydrophobicContact CD1-CE1 3.96Å; L557-V619 HydrophobicContact CD2-CB 3.82Å; L557-V619 HydrophobicContact CD2-CG1 3.64Å; L557-V619 HydrophobicContact CG-CG1 3.78Å
558	F	80.2	Confident	76.1	Confident	57 Å²	57	65.7 Å²	65.7	25%	0.25	33%	0.328	C	S	.	.	H	α-helix	trans	-63.6	-39	176	170.9	-106.5	0	0	0	113	S554 V555 S561 R562 I589 S592	S554-F558 WeakPolarHBondContact O-CB 3.37Å; S554-F558 PolarHBondContact O-N 3.35Å; S554-F558 VanDerWaalsContact O-N 3.09Å; V555-F558 PolarHBondContact O-N 3.44Å; F558-S561 PolarHBondContact O-OG 3.04Å; F558-R562 VanDerWaalsContact O-CB 3.25Å; F558-R562 WeakPolarHBondContact O-CB 3.47Å; F558-R562 PolarHBondContact O-N 2.86Å; F558-R562 VanDerWaalsContact O-N 3.09Å; F558-I589 HydrophobicContact CD1-CD1 4.18Å; F558-I589 HydrophobicContact CD1-CG1 4.23Å; F558-I589 HydrophobicContact CD2-CB 3.9Å; F558-I589 HydrophobicContact CD2-CG1 4.2Å; F558-I589 HydrophobicContact CE1-CD1 4.15Å; F558-I589 HydrophobicContact CE1-CG1 4.5Å; F558-I589 HydrophobicContact CE2-CB 3.9Å; F558-I589 HydrophobicContact CE2-CG1 4.47Å; F558-I589 HydrophobicContact CG-CB 4.3Å; F558-I589 HydrophobicContact CG-CG1 4.08Å; F558-I589 HydrophobicContact CZ-CB 4.3Å; F558-I589 HydrophobicContact CZ-CD1 4.48Å; F558-S592 PolarHBondContact N-OG 3.01Å
559	L	78.8	Confident	74.3	Confident	79 Å²	79	64.6 Å²	64.6	41%	0.414	33%	0.325	S	S	.	.	H	α-helix	trans	-68.3	-45	174.9	-68.9	169.6	0	0	0	111	V555 V556 R562 F563	V555-L559 HydrophobicContact CG1-CD1 3.91Å; V555-L559 HydrophobicContact CG1-CG 4.35Å; V555-L559 VanDerWaalsContact O-CG 3.3Å; V555-L559 WeakPolarHBondContact O-CG 3.43Å; V555-L559 PolarHBondContact O-N 2.66Å; V556-L559 PolarHBondContact O-N 3.18Å; L559-R562 PolarHBondContact O-N 3.26Å; L559-F563 HydrophobicContact CB-CD2 4.49Å; L559-F563 HydrophobicContact CD2-CE2 4.1Å; L559-F563 WeakPolarHBondContact O-CB 3.24Å; L559-F563 VanDerWaalsContact O-CD2 3.25Å; L559-F563 WeakPolarHBondContact O-CD2 3.48Å; L559-F563 PolarHBondContact O-N 3Å
560	V	77	Confident	72.1	Confident	34 Å²	34	69 Å²	69	21%	0.206	35%	0.348	C	S	.	.	H	α-helix	trans	-61.4	-46.8	178.5	169.1	0	0	0	0	111.3	V556 L557 R562 F563 S564 S615	V556-V560 HydrophobicContact CG1-CG2 4.34Å; V556-V560 WeakPolarHBondContact O-CB 3.43Å; V556-V560 VanDerWaalsContact O-CG2 3.26Å; V556-V560 WeakPolarHBondContact O-CG2 3.36Å; V556-V560 PolarHBondContact O-N 3.28Å; L557-V560 PolarHBondContact O-N 3.1Å; V560-R562 VanDerWaalsContact C-N 3.31Å; V560-R562 PolarHBondContact O-N 3.14Å; V560-F563 PolarHBondContact O-N 2.98Å; V560-S564 WeakPolarHBondContact O-CB 3.34Å; V560-S564 PolarHBondContact O-N 2.68Å; V560-S615 WeakPolarHBondContact CG1-OG 3.4Å
561	S	70.4	Confident	69.9	Low	2 Å²	2	73 Å²	73	1%	0.014	37%	0.368	C	S	.	.	H	α-helix	trans	-68.8	-27.2	178.8	65.2	0	0	0	0	113.3	L557 F558 E567 N585 F587	L557-S561 WeakPolarHBondContact O-CB 3.33Å; L557-S561 PolarHBondContact O-N 3.02Å; L557-S561 PolarHBondContact O-OG 3.26Å; L557-S561 VanDerWaalsContact O-OG 3.09Å; F558-S561 PolarHBondContact O-OG 3.04Å; S561-E567 WeakPolarHBondContact CB-OE1 3.33Å; S561-N585 PolarHBondContact O-ND2 3.08Å; S561-F587 WeakPolarHBondContact OG-CB 3.11Å
562	R	69.6	Low	67.4	Low	125 Å²	125	78.2 Å²	78.2	47%	0.472	39%	0.391	S	S	.	.	H	α-helix	trans	-77	-38.9	174.7	-168.8	69.3	-173.4	120.9	-3.5	112.9	F558 L559 V560	F558-R562 VanDerWaalsContact O-CB 3.25Å; F558-R562 WeakPolarHBondContact O-CB 3.47Å; F558-R562 PolarHBondContact O-N 2.86Å; F558-R562 VanDerWaalsContact O-N 3.09Å; L559-R562 PolarHBondContact O-N 3.26Å; V560-R562 VanDerWaalsContact C-N 3.31Å; V560-R562 PolarHBondContact O-N 3.14Å
563	F	66.4	Low	65.3	Low	164 Å²	164	85.4 Å²	85.4	72%	0.719	41%	0.409	S	S	*	.	H	α-helix	trans	-91	-16.9	-176.2	-76.5	-66.6	0	0	0	114.7	L559 V560 P565	L559-F563 HydrophobicContact CB-CD2 4.49Å; L559-F563 HydrophobicContact CD2-CE2 4.1Å; L559-F563 WeakPolarHBondContact O-CB 3.24Å; L559-F563 VanDerWaalsContact O-CD2 3.25Å; L559-F563 WeakPolarHBondContact O-CD2 3.48Å; L559-F563 PolarHBondContact O-N 3Å; V560-F563 PolarHBondContact O-N 2.98Å; F563-P565 VanDerWaalsContact O-CD 3.26Å; F563-P565 WeakPolarHBondContact O-CD 3.41Å
564	S	61.5	Low	63.2	Low	16 Å²	16	93.1 Å²	93.1	11%	0.112	44%	0.443	C	S	.	.			trans	-74.1	114.9	175.9	-175.2	0	0	0	0	111.2	V560 Y566 E567	V560-S564 WeakPolarHBondContact O-CB 3.34Å; V560-S564 PolarHBondContact O-N 2.68Å; S564-Y566 PolarHBondContact O-N 2.65Å; S564-E567 PolarHBondContact O-N 3.4Å
565	P	55.4	Low	60.9	Low	103 Å²	103	101 Å²	101	67%	0.669	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	-67.9	-17.3	-179.7	-19.9	34.3	0	0	0	113.4	F563 E567	F563-P565 VanDerWaalsContact O-CD 3.26Å; F563-P565 WeakPolarHBondContact O-CD 3.41Å; P565-E567 VanDerWaalsContact C-N 3.27Å; P565-E567 PolarHBondContact O-N 3.49Å
566	Y	53.8	Low	59.2	Low	177 Å²	177	100.9 Å²	100.9	69%	0.694	50%	0.497	S	S	*	.	G	3₁₀ helix	trans	-85.1	4.3	180	-58.7	-75.9	0	0	0	113.7	S564	S564-Y566 PolarHBondContact O-N 2.65Å
567	E	54	Low	56.8	Low	11 Å²	11	106.6 Å²	106.6	5%	0.051	52%	0.519	C	S	.	.	G	3₁₀ helix	trans	-112.2	2.5	-174.4	-144.6	151	155.2	0	0	113	S561 S564 P565 S613	S561-E567 WeakPolarHBondContact CB-OE1 3.33Å; S564-E567 PolarHBondContact O-N 3.4Å; P565-E567 VanDerWaalsContact C-N 3.27Å; P565-E567 PolarHBondContact O-N 3.49Å; E567-S613 WeakPolarHBondContact OE2-CB 3.35Å; E567-S613 PolarHBondContact OE2-OG 3.33Å
568	W	56.6	Low	55	Low	107 Å²	107	113.7 Å²	113.7	41%	0.405	56%	0.555	S	S	.	*	P	Polyproline II helix	trans	-92.2	122	173.7	-66.1	48.2	0	0	0	108.5	S583	W568-S583 WeakPolarHBondContact CZ3-OG 3.33Å
569	H	52.8	Low	53	Low	112 Å²	112	119.3 Å²	119.3	52%	0.519	58%	0.582	S	S	.	*	P	Polyproline II helix	trans	-84.9	127.7	172.8	-93.3	-103.8	0	0	0	110.4
570	T	44	Very low	51	Low	127 Å²	127	121.3 Å²	121.3	78%	0.779	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-94.7	117.1	156	-41	0	0	0	0	106.4	E572	T570-E572 PolarHBondContact O-N 2.92Å
571	E	42.9	Very low	49.3	Very low	127 Å²	127	127.1 Å²	127.1	59%	0.593	63%	0.628	S	S	*	*			trans	-80.7	106.8	170.1	-66.7	-167.1	126.2	0	0	109.2	Y573	E571-Y573 HydrophobicContact CB-CD2 4.02Å; E571-Y573 HydrophobicContact CB-CE2 4.18Å; E571-Y573 PolarHBondContact O-N 3.12Å
572	E	38.2	Very low	48	Very low	192 Å²	192	135 Å²	135	90%	0.897	67%	0.665	S	S	*	*			trans	-82.8	96.9	160.9	-71.5	-175.8	149.1	0	0	108.1	T570	T570-E572 PolarHBondContact O-N 2.92Å
573	Y	44.2	Very low	46.9	Very low	185 Å²	185	132 Å²	132	73%	0.725	66%	0.663	S	S	*	*			trans	-86.1	138.6	163.3	-90.1	-86.3	0	0	0	110	E571	E571-Y573 HydrophobicContact CB-CD2 4.02Å; E571-Y573 HydrophobicContact CB-CE2 4.18Å; E571-Y573 PolarHBondContact O-N 3.12Å
574	E	44.2	Very low	46.2	Very low	191 Å²	191	127.8 Å²	127.8	89%	0.893	65%	0.651	S	S	*	*	S	Bend	trans	-73.9	148.7	164.1	-72.6	-170	122.9	0	0	111.1
575	D	38	Very low	46.1	Very low	170 Å²	170	129 Å²	129	91%	0.909	66%	0.655	S	S	*	*	S	Bend	trans	67.9	133.8	-176.1	-134.6	-15.2	0	0	0	116.8
576	G	49.8	Very low	46.3	Very low	64 Å²	64	130 Å²	130	66%	0.66	65%	0.651	S	S	*	*			trans	-105.6	127.9	-145.1	0	0	0	0	0	117
577	Q	36	Very low	46.8	Very low	188 Å²	188	122.1 Å²	122.1	88%	0.879	62%	0.621	S	S	*	*			trans	-150.4	134.8	156.2	-119.3	165.7	82.1	0	0	113.7
578	I	40.2	Very low	47.5	Very low	156 Å²	156	123.1 Å²	123.1	80%	0.8	63%	0.634	S	S	*	*			trans	18.9	118.2	164.8	-51.6	179	0	0	0	118.3
579	Q	39.1	Very low	48.4	Very low	176 Å²	176	122.2 Å²	122.2	82%	0.822	64%	0.636	S	S	*	*			trans	-58.8	132.5	175	-66.4	174.4	-13.7	0	0	114.4
580	T	36.2	Very low	49.6	Very low	120 Å²	120	124.8 Å²	124.8	74%	0.736	65%	0.646	S	S	*	*			trans	-127.1	122.4	152.5	49.1	0	0	0	0	109.2	E582	T580-E582 PolarHBondContact O-N 2.84Å
581	N	41.8	Very low	51.3	Low	156 Å²	156	121.9 Å²	121.9	83%	0.834	63%	0.626	S	S	*	*			trans	-78.5	61.4	-177.7	-72.8	-15.2	0	0	0	112.6
582	E	42.6	Very low	53	Low	169 Å²	169	115.9 Å²	115.9	79%	0.79	60%	0.598	S	S	*	*			trans	-105.1	87.9	167.2	-71.6	-158.7	126.9	0	0	110.3	T580 T584	T580-E582 PolarHBondContact O-N 2.84Å; E582-T584 PolarHBondContact O-N 3.22Å
583	S	47.2	Very low	55.2	Low	61 Å²	61	110.1 Å²	110.1	43%	0.427	57%	0.573	S	S	.	*			trans	-68.9	108.2	169.9	54	0	0	0	0	110.2	W568	W568-S583 WeakPolarHBondContact CZ3-OG 3.33Å
584	T	51.5	Low	57.1	Low	76 Å²	76	109.3 Å²	109.3	47%	0.466	57%	0.568	S	S	.	*			trans	-75.1	128	-178.4	47	0	0	0	0	110.9	E582	E582-T584 PolarHBondContact O-N 3.22Å
585	N	58.5	Low	58.8	Low	40 Å²	40	101.6 Å²	101.6	21%	0.214	53%	0.532	C	S	.	.			trans	-117.3	113.5	169.9	-175.3	-40.6	0	0	0	107.3	S561 F587	S561-N585 PolarHBondContact O-ND2 3.08Å; N585-F587 PolarHBondContact O-N 3.33Å; N585-F587 PolarHBondContact OD1-N 3.49Å
586	E	59.8	Low	60.9	Low	124 Å²	124	93.5 Å²	93.5	58%	0.579	49%	0.489	S	S	*	.	S	Bend	trans	-65.5	-22.8	-175.5	-60.3	-173.9	138.1	0	0	112.7	G588 N591 I607	E586-G588 VanDerWaalsContact C-N 3.27Å; E586-G588 PolarHBondContact O-N 3.26Å; E586-N591 WeakPolarHBondContact O-CB 3.24Å; E586-N591 PolarHBondContact O-ND2 2.86Å; E586-I607 HydrophobicContact CB-CG2 4.44Å
587	F	64.8	Low	62.6	Low	12 Å²	12	93.1 Å²	93.1	5%	0.053	47%	0.471	C	S	.	.			trans	-86.9	60.7	179.2	-81.4	-86.8	0	0	0	112.7	S561 N585 F595 I607 P609	S561-F587 WeakPolarHBondContact OG-CB 3.11Å; N585-F587 PolarHBondContact O-N 3.33Å; N585-F587 PolarHBondContact OD1-N 3.49Å; F587-F595 HydrophobicContact CE1-CB 4.05Å; F587-F595 HydrophobicContact CE1-CD1 4.46Å; F587-F595 HydrophobicContact CE1-CG 4.09Å; F587-I607 HydrophobicContact CD2-CG2 4.39Å; F587-I607 HydrophobicContact CE1-CG2 4.36Å; F587-I607 HydrophobicContact CE2-CG2 3.73Å; F587-I607 HydrophobicContact CZ-CG2 3.71Å; F587-P609 HydrophobicContact CZ-CG 4.13Å
588	G	69.1	Low	64.9	Low	32 Å²	32	84.7 Å²	84.7	33%	0.33	44%	0.435	S	S	.	.			trans	-59.9	160.1	160.5	0	0	0	0	0	112	E586 F590 N591 S592	E586-G588 VanDerWaalsContact C-N 3.27Å; E586-G588 PolarHBondContact O-N 3.26Å; G588-F590 VanDerWaalsContact C-N 3.27Å; G588-F590 PolarHBondContact O-N 3.4Å; G588-N591 WeakPolarHBondContact O-CA 3.44Å; G588-N591 PolarHBondContact O-N 2.89Å; G588-S592 PolarHBondContact O-N 2.91Å
589	I	75.1	Confident	66.8	Low	89 Å²	89	78.1 Å²	78.1	46%	0.456	40%	0.404	S	S	.	.	H	α-helix	trans	-59.7	-35.3	-172.3	-160.1	167.3	0	0	0	113.4	F558 L593	F558-I589 HydrophobicContact CD1-CD1 4.18Å; F558-I589 HydrophobicContact CD1-CG1 4.23Å; F558-I589 HydrophobicContact CD2-CB 3.9Å; F558-I589 HydrophobicContact CD2-CG1 4.2Å; F558-I589 HydrophobicContact CE1-CD1 4.15Å; F558-I589 HydrophobicContact CE1-CG1 4.5Å; F558-I589 HydrophobicContact CE2-CB 3.9Å; F558-I589 HydrophobicContact CE2-CG1 4.47Å; F558-I589 HydrophobicContact CG-CB 4.3Å; F558-I589 HydrophobicContact CG-CG1 4.08Å; F558-I589 HydrophobicContact CZ-CB 4.3Å; F558-I589 HydrophobicContact CZ-CD1 4.48Å; I589-L593 WeakPolarHBondContact O-CB 3.38Å; I589-L593 PolarHBondContact O-N 3.38Å
590	F	79.1	Confident	69	Low	165 Å²	165	72 Å²	72	72%	0.724	37%	0.374	S	S	*	.	H	α-helix	trans	-71	-34.4	173.1	-65.7	-74.4	0	0	0	112.7	G588 L593 W594	G588-F590 VanDerWaalsContact C-N 3.27Å; G588-F590 PolarHBondContact O-N 3.4Å; F590-L593 PolarHBondContact O-N 3.05Å; F590-W594 WeakPolarHBondContact O-CB 3.4Å; F590-W594 PolarHBondContact O-N 3.17Å
591	N	78.5	Confident	71.2	Confident	67 Å²	67	71.8 Å²	71.8	36%	0.358	37%	0.367	S	S	.	.	H	α-helix	trans	-74	-35.6	180	-63.4	2.2	0	0	0	111.1	E586 G588 W594 F595 I607	E586-N591 WeakPolarHBondContact O-CB 3.24Å; E586-N591 PolarHBondContact O-ND2 2.86Å; G588-N591 WeakPolarHBondContact O-CA 3.44Å; G588-N591 PolarHBondContact O-N 2.89Å; N591-W594 PolarHBondContact O-N 3.43Å; N591-F595 WeakPolarHBondContact O-CB 3.31Å; N591-F595 PolarHBondContact O-N 3.23Å; N591-I607 HydrophobicContact CB-CD1 4.48Å
592	S	79.4	Confident	72.9	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-60.6	-44.5	168.6	-174.4	0	0	0	0	111.9	S554 L557 F558 G588 F595 S596	S554-S592 PolarHBondContact O-OG 3.02Å; L557-S592 WeakPolarHBondContact CB-OG 3.4Å; F558-S592 PolarHBondContact N-OG 3.01Å; G588-S592 PolarHBondContact O-N 2.91Å; S592-F595 PolarHBondContact O-N 2.9Å; S592-S596 PolarHBondContact O-N 2.9Å; S592-S596 PolarHBondContact O-OG 3.13Å
593	L	84.3	Confident	74.3	Confident	71 Å²	71	70.3 Å²	70.3	37%	0.372	35%	0.349	S	S	.	.	H	α-helix	trans	-71	-29.3	178.6	-170.3	137.9	0	0	0	112.8	Y550 I589 F590 S596 L597	Y550-L593 HydrophobicContact CE1-CG 4.43Å; Y550-L593 WeakPolarHBondContact OH-CD2 3.46Å; Y550-L593 WeakPolarHBondContact OH-CG 3.36Å; Y550-L593 PolarHBondContact OH-O 2.82Å; I589-L593 WeakPolarHBondContact O-CB 3.38Å; I589-L593 PolarHBondContact O-N 3.38Å; F590-L593 PolarHBondContact O-N 3.05Å; L593-S596 PolarHBondContact O-OG 3.04Å; L593-S596 VanDerWaalsContact O-OG 3.07Å; L593-L597 WeakPolarHBondContact O-CB 3.42Å; L593-L597 PolarHBondContact O-N 3.31Å
594	W	83.7	Confident	75.2	Confident	168 Å²	168	69.8 Å²	69.8	64%	0.636	35%	0.353	S	S	*	.	H	α-helix	trans	-72.9	-41.6	170.5	-172	-106.8	0	0	0	112	F590 N591 L597 G598	F590-W594 WeakPolarHBondContact O-CB 3.4Å; F590-W594 PolarHBondContact O-N 3.17Å; N591-W594 PolarHBondContact O-N 3.43Å; W594-L597 HydrophobicContact CE3-CD2 4.4Å; W594-L597 HydrophobicContact CZ3-CD2 4.4Å; W594-L597 PolarHBondContact O-N 3.44Å; W594-G598 PolarHBondContact O-N 3.09Å
595	F	80.9	Confident	75.9	Confident	29 Å²	29	67.8 Å²	67.8	13%	0.127	34%	0.342	C	S	.	.	H	α-helix	trans	-61.8	-47.2	176.2	173.5	-96.7	0	0	0	112.3	L557 F587 N591 S592 L597 G598 A599 C605 I607 P609	L557-F595 HydrophobicContact CD1-CD1 3.81Å; L557-F595 HydrophobicContact CD1-CE1 3.96Å; F587-F595 HydrophobicContact CE1-CB 4.05Å; F587-F595 HydrophobicContact CE1-CD1 4.46Å; F587-F595 HydrophobicContact CE1-CG 4.09Å; N591-F595 WeakPolarHBondContact O-CB 3.31Å; N591-F595 PolarHBondContact O-N 3.23Å; S592-F595 PolarHBondContact O-N 2.9Å; F595-L597 VanDerWaalsContact C-N 3.26Å; F595-L597 PolarHBondContact O-N 3.08Å; F595-G598 PolarHBondContact O-N 2.6Å; F595-A599 VanDerWaalsContact O-CB 3.29Å; F595-A599 WeakPolarHBondContact O-CB 3.43Å; F595-A599 PolarHBondContact O-N 2.95Å; F595-C605 HydrophobicContact CD2-CB 4.23Å; F595-I607 VanDerWaalsContact CD2-O 3.25Å; F595-I607 WeakPolarHBondContact CD2-O 3.43Å; F595-P609 HydrophobicContact CE1-CG 4.12Å; F595-P609 HydrophobicContact CE2-CG 4.22Å; F595-P609 HydrophobicContact CZ-CG 3.78Å
596	S	82.3	Confident	75.9	Confident	0 Å²	0	74 Å²	74	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-63.3	-32.7	177.7	60.9	0	0	0	0	112.2	Y550 S554 S592 L593 F600 W623	Y550-S596 WeakPolarHBondContact CE2-OG 3.23Å; S554-S596 WeakPolarHBondContact OG-CB 3.38Å; S554-S596 PolarHBondContact OG-OG 2.65Å; S592-S596 PolarHBondContact O-N 2.9Å; S592-S596 PolarHBondContact O-OG 3.13Å; L593-S596 PolarHBondContact O-OG 3.04Å; L593-S596 VanDerWaalsContact O-OG 3.07Å; S596-F600 WeakPolarHBondContact O-CB 3.47Å; S596-F600 PolarHBondContact O-N 3.35Å; S596-W623 PolarHBondContact O-NE1 2.85Å
597	L	85.4	Confident	76	Confident	56 Å²	56	70.6 Å²	70.6	29%	0.293	36%	0.36	S	S	.	.	H	α-helix	trans	-72.7	-47.6	175.6	-173.2	63.6	0	0	0	112.5	Y550 L593 W594 F595 A599 F600 M601	Y550-L597 HydrophobicContact CE2-CB 3.88Å; Y550-L597 HydrophobicContact CE2-CD1 4.28Å; L593-L597 WeakPolarHBondContact O-CB 3.42Å; L593-L597 PolarHBondContact O-N 3.31Å; W594-L597 HydrophobicContact CE3-CD2 4.4Å; W594-L597 HydrophobicContact CZ3-CD2 4.4Å; W594-L597 PolarHBondContact O-N 3.44Å; F595-L597 VanDerWaalsContact C-N 3.26Å; F595-L597 PolarHBondContact O-N 3.08Å; L597-A599 VanDerWaalsContact C-N 3.29Å; L597-A599 PolarHBondContact O-N 2.84Å; L597-F600 CarbonylContact O-C 3.57Å; L597-F600 WeakPolarHBondContact O-CA 3.23Å; L597-F600 WeakPolarHBondContact O-CB 3.44Å; L597-F600 PolarHBondContact O-N 3.15Å; L597-M601 HydrophobicContact CD1-SD 4.44Å; L597-M601 HydrophobicContact CG-SD 4.4Å; L597-M601 PolarHBondContact O-N 2.92Å
598	G	82.6	Confident	75.7	Confident	11 Å²	11	73.7 Å²	73.7	11%	0.113	38%	0.384	C	S	.	.	H	α-helix	trans	-64.9	-32.5	177.2	0	0	0	0	0	113.1	W594 F595 R602 Q603 G604	W594-G598 PolarHBondContact O-N 3.09Å; F595-G598 PolarHBondContact O-N 2.6Å; G598-R602 PolarHBondContact O-N 3.02Å; G598-Q603 PolarHBondContact O-N 3.1Å; G598-G604 PolarHBondContact O-N 3.32Å
599	A	81.6	Confident	75.2	Confident	18 Å²	18	73 Å²	73	15%	0.149	37%	0.373	C	S	.	.	H	α-helix	trans	-67.1	-39.2	168.7	0	0	0	0	0	112.5	F595 L597 R602	F595-A599 VanDerWaalsContact O-CB 3.29Å; F595-A599 WeakPolarHBondContact O-CB 3.43Å; F595-A599 PolarHBondContact O-N 2.95Å; L597-A599 VanDerWaalsContact C-N 3.29Å; L597-A599 PolarHBondContact O-N 2.84Å; A599-R602 PolarHBondContact O-N 3.35Å
600	F	85.1	Confident	74.1	Confident	47 Å²	47	69.9 Å²	69.9	21%	0.206	36%	0.359	C	S	.	.	H	α-helix	trans	-65	-44	174.2	-174.5	-83.9	0	0	0	111.6	I546 S596 L597 R602 W623 T627 I631	I546-F600 HydrophobicContact CG2-CE2 3.64Å; I546-F600 HydrophobicContact CG2-CZ 3.97Å; S596-F600 WeakPolarHBondContact O-CB 3.47Å; S596-F600 PolarHBondContact O-N 3.35Å; L597-F600 CarbonylContact O-C 3.57Å; L597-F600 WeakPolarHBondContact O-CA 3.23Å; L597-F600 WeakPolarHBondContact O-CB 3.44Å; L597-F600 PolarHBondContact O-N 3.15Å; F600-R602 PolarHBondContact O-N 3.21Å; F600-R602 VanDerWaalsContact O-N 3.12Å; F600-W623 HydrophobicContact CB-CZ2 4.26Å; F600-W623 HydrophobicContact CD2-CH2 4.26Å; F600-W623 AromaticContact CD2-CZ2 3.91Å; F600-W623 HydrophobicContact CD2-CZ2 3.91Å; F600-T627 HydrophobicContact CB-CG2 4.23Å; F600-T627 HydrophobicContact CD2-CG2 3.52Å; F600-T627 HydrophobicContact CE2-CG2 4.26Å; F600-T627 HydrophobicContact CG-CG2 4.22Å; F600-I631 WeakPolarHBondContact O-CD1 3.5Å
601	M	81.6	Confident	72.6	Confident	116 Å²	116	72.7 Å²	72.7	57%	0.571	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	6.2	-179.5	-65.1	-172.9	62.2	0	0	114.3	L597 Q603	L597-M601 HydrophobicContact CD1-SD 4.44Å; L597-M601 HydrophobicContact CG-SD 4.4Å; L597-M601 PolarHBondContact O-N 2.92Å; M601-Q603 PolarHBondContact O-N 3.07Å
602	R	76.8	Confident	71.2	Confident	133 Å²	133	79.9 Å²	79.9	50%	0.502	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	13.5	-175.5	-61.4	-175.8	175.7	-174.5	-0.7	115	G598 A599 F600 L628 I631 S632	G598-R602 PolarHBondContact O-N 3.02Å; A599-R602 PolarHBondContact O-N 3.35Å; F600-R602 PolarHBondContact O-N 3.21Å; F600-R602 VanDerWaalsContact O-N 3.12Å; R602-L628 PolarHBondContact NH2-O 3.35Å; R602-I631 HydrophobicContact CG-CD1 3.92Å; R602-S632 PolarHBondContact NH2-OG 3.08Å; R602-S632 VanDerWaalsContact NH2-OG 3.16Å
603	Q	73.1	Confident	70.5	Confident	162 Å²	162	80 Å²	80	76%	0.757	39%	0.388	S	S	*	.	S	Bend	trans	-87.9	-21.2	-173.4	-168.4	163.9	-5.9	0	0	112.9	G598 M601	G598-Q603 PolarHBondContact O-N 3.1Å; M601-Q603 PolarHBondContact O-N 3.07Å
604	G	66.1	Low	69.7	Low	49 Å²	49	82.7 Å²	82.7	51%	0.505	40%	0.402	S	S	.	.			trans	80.2	164.6	-175	0	0	0	0	0	112.6	G598	G598-G604 PolarHBondContact O-N 3.32Å
605	C	66.4	Low	69.3	Low	34 Å²	34	77.4 Å²	77.4	23%	0.23	39%	0.391	C	S	.	.			trans	-136.5	141.6	173.3	-71.4	0	0	0	0	108.7	F595 I607	F595-C605 HydrophobicContact CD2-CB 4.23Å; C605-I607 PolarHBondContact O-N 2.82Å
606	D	59	Low	68.9	Low	172 Å²	172	76.1 Å²	76.1	92%	0.92	39%	0.386	S	S	*	.	S	Bend	trans	-64.1	-30	175.6	-54.6	-60	0	0	0	111.9	S608	D606-S608 PolarHBondContact O-N 2.98Å; D606-S608 VanDerWaalsContact O-N 3.12Å
607	I	61.6	Low	68.7	Low	52 Å²	52	81.9 Å²	81.9	27%	0.267	41%	0.407	S	S	.	.			trans	-78.7	90.7	174.7	-46.8	174.7	0	0	0	109.4	E586 F587 N591 F595 C605	E586-I607 HydrophobicContact CB-CG2 4.44Å; F587-I607 HydrophobicContact CD2-CG2 4.39Å; F587-I607 HydrophobicContact CE1-CG2 4.36Å; F587-I607 HydrophobicContact CE2-CG2 3.73Å; F587-I607 HydrophobicContact CZ-CG2 3.71Å; N591-I607 HydrophobicContact CB-CD1 4.48Å; F595-I607 VanDerWaalsContact CD2-O 3.25Å; F595-I607 WeakPolarHBondContact CD2-O 3.43Å; C605-I607 PolarHBondContact O-N 2.82Å
608	S	58.9	Low	68.6	Low	77 Å²	77	84 Å²	84	54%	0.538	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-90.1	144.9	172.9	75.3	0	0	0	0	111.9	D606 S610	D606-S608 PolarHBondContact O-N 2.98Å; D606-S608 VanDerWaalsContact O-N 3.12Å; S608-S610 PolarHBondContact O-N 3.5Å
609	P	57.3	Low	68.6	Low	18 Å²	18	85.1 Å²	85.1	12%	0.117	42%	0.423	C	S	.	.	S	Bend	trans	-52.4	130.6	171.6	-27.3	35.1	0	0	0	111	F587 F595	F587-P609 HydrophobicContact CZ-CG 4.13Å; F595-P609 HydrophobicContact CE1-CG 4.12Å; F595-P609 HydrophobicContact CE2-CG 4.22Å; F595-P609 HydrophobicContact CZ-CG 3.78Å
610	S	52.4	Low	68.5	Low	23 Å²	23	85 Å²	85	16%	0.161	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-54.3	147.2	-161.2	89.1	0	0	0	0	112.4	S608 R612 S613	S608-S610 PolarHBondContact O-N 3.5Å; S610-R612 PolarHBondContact O-N 3.16Å; S610-S613 PolarHBondContact O-N 3.24Å
611	R	46.9	Very low	68.5	Low	223 Å²	223	84.5 Å²	84.5	84%	0.842	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-8.1	-162.6	-159.6	172.6	178.5	172.2	-0.3	114.9	R617	R611-R617 VanDerWaalsContact CA-NH2 3.33Å; R611-R617 PolarHBondContact O-NH1 2.92Å; R611-R617 PolarHBondContact O-NH2 3.27Å
612	R	50.3	Low	68.8	Low	218 Å²	218	83.6 Å²	83.6	82%	0.823	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.9	-14.5	179.8	-67.5	176.1	172.2	134.2	-3.9	114.9	S610 L614	S610-R612 PolarHBondContact O-N 3.16Å; R612-L614 PolarHBondContact O-N 3.08Å
613	S	63.5	Low	69.4	Low	2 Å²	2	77.6 Å²	77.6	1%	0.014	41%	0.409	C	S	.	.			trans	-83.4	100.7	-173.7	-162.7	0	0	0	0	112.6	E567 S610 R617	E567-S613 WeakPolarHBondContact OE2-CB 3.35Å; E567-S613 PolarHBondContact OE2-OG 3.33Å; S610-S613 PolarHBondContact O-N 3.24Å; S613-R617 WeakPolarHBondContact O-CG 3.32Å; S613-R617 PolarHBondContact O-N 3.02Å
614	L	68.6	Low	70.1	Confident	128 Å²	128	77.5 Å²	77.5	67%	0.67	40%	0.402	S	S	*	.	H	α-helix	trans	-69.5	-38.9	-176.6	-177.3	62.7	0	0	0	112.9	R612 R617 I618	R612-L614 PolarHBondContact O-N 3.08Å; L614-R617 PolarHBondContact O-N 2.69Å; L614-I618 HydrophobicContact CG-CD1 4.28Å; L614-I618 WeakPolarHBondContact O-CG1 3.27Å; L614-I618 PolarHBondContact O-N 2.71Å
615	S	73.6	Confident	71.2	Confident	57 Å²	57	81.8 Å²	81.8	40%	0.399	41%	0.407	S	S	.	.	H	α-helix	trans	-64.6	-48.2	-179.2	42.5	0	0	0	0	112.1	V560 R617 I618 V619	V560-S615 WeakPolarHBondContact CG1-OG 3.4Å; S615-R617 VanDerWaalsContact C-N 3.27Å; S615-R617 PolarHBondContact O-N 3.3Å; S615-I618 PolarHBondContact O-N 3.39Å; S615-I618 VanDerWaalsContact O-N 3.15Å; S615-V619 PolarHBondContact O-N 3.39Å
616	G	73.9	Confident	72.3	Confident	2 Å²	2	83.7 Å²	83.7	2%	0.021	41%	0.411	C	S	.	.	H	α-helix	trans	-59.4	-37.6	177.3	0	0	0	0	0	112.7	V619 G620	G616-V619 PolarHBondContact O-N 2.84Å; G616-G620 PolarHBondContact O-N 3.28Å
617	R	77.4	Confident	73.7	Confident	121 Å²	121	75.5 Å²	75.5	46%	0.457	37%	0.368	S	S	.	.	H	α-helix	trans	-65	-37.6	174.8	-77.1	179.9	171.6	161	2.5	114	R611 S613 L614 S615 G621	R611-R617 VanDerWaalsContact CA-NH2 3.33Å; R611-R617 PolarHBondContact O-NH1 2.92Å; R611-R617 PolarHBondContact O-NH2 3.27Å; S613-R617 WeakPolarHBondContact O-CG 3.32Å; S613-R617 PolarHBondContact O-N 3.02Å; L614-R617 PolarHBondContact O-N 2.69Å; S615-R617 VanDerWaalsContact C-N 3.27Å; S615-R617 PolarHBondContact O-N 3.3Å; R617-G621 PolarHBondContact O-N 3.31Å
618	I	82.6	Confident	75	Confident	102 Å²	102	76.1 Å²	76.1	52%	0.523	37%	0.371	S	S	.	.	H	α-helix	trans	-66.3	-45.4	177.5	-67.3	165.8	0	0	0	109.8	L614 S615 G621 V622	L614-I618 HydrophobicContact CG-CD1 4.28Å; L614-I618 WeakPolarHBondContact O-CG1 3.27Å; L614-I618 PolarHBondContact O-N 2.71Å; S615-I618 PolarHBondContact O-N 3.39Å; S615-I618 VanDerWaalsContact O-N 3.15Å; I618-G621 PolarHBondContact O-N 2.9Å; I618-V622 WeakPolarHBondContact O-CG2 3.36Å; I618-V622 PolarHBondContact O-N 2.73Å
619	V	83.8	Confident	76.5	Confident	34 Å²	34	76.5 Å²	76.5	21%	0.206	37%	0.366	C	S	.	.	H	α-helix	trans	-61.6	-47.3	176.4	179.7	0	0	0	0	111.1	V553 V556 L557 S615 G616 G621 V622 W623	V553-V619 HydrophobicContact CG1-CG1 4.2Å; V556-V619 HydrophobicContact CG1-CG1 4.1Å; V556-V619 HydrophobicContact CG1-CG2 4.02Å; L557-V619 HydrophobicContact CD2-CB 3.82Å; L557-V619 HydrophobicContact CD2-CG1 3.64Å; L557-V619 HydrophobicContact CG-CG1 3.78Å; S615-V619 PolarHBondContact O-N 3.39Å; G616-V619 PolarHBondContact O-N 2.84Å; V619-G621 PolarHBondContact O-N 3.38Å; V619-V622 PolarHBondContact O-N 3.13Å; V619-W623 WeakPolarHBondContact O-CB 3.36Å; V619-W623 PolarHBondContact O-N 2.76Å
620	G	80	Confident	78.1	Confident	14 Å²	14	77.1 Å²	77.1	14%	0.144	37%	0.368	C	S	.	.	H	α-helix	trans	-62.6	-39.2	176.7	0	0	0	0	0	113.7	G616 W623 W624	G616-G620 PolarHBondContact O-N 3.28Å; G620-W623 PolarHBondContact O-N 2.89Å; G620-W624 WeakPolarHBondContact O-CB 3.34Å; G620-W624 PolarHBondContact O-N 2.86Å
621	G	83.7	Confident	79.9	Confident	37 Å²	37	77.7 Å²	77.7	38%	0.381	37%	0.369	S	S	.	.	H	α-helix	trans	-68.4	-40.5	177.7	0	0	0	0	0	113.4	R617 I618 V619 W624 F625	R617-G621 PolarHBondContact O-N 3.31Å; I618-G621 PolarHBondContact O-N 2.9Å; V619-G621 PolarHBondContact O-N 3.38Å; G621-W624 PolarHBondContact O-N 2.87Å; G621-F625 PolarHBondContact O-N 2.99Å
622	V	89.1	Confident	81.9	Confident	98 Å²	98	69.3 Å²	69.3	59%	0.594	35%	0.345	S	S	*	.	H	α-helix	trans	-66.2	-41.1	173.6	172.4	0	0	0	0	110.9	I618 V619 F625 F626	I618-V622 WeakPolarHBondContact O-CG2 3.36Å; I618-V622 PolarHBondContact O-N 2.73Å; V619-V622 PolarHBondContact O-N 3.13Å; V622-F625 PolarHBondContact O-N 2.84Å; V622-F626 WeakPolarHBondContact O-CB 3.37Å; V622-F626 PolarHBondContact O-N 2.91Å
623	W	89.3	Confident	83.8	Confident	6 Å²	6	61.5 Å²	61.5	2%	0.023	32%	0.323	C	S	.	.	H	α-helix	trans	-61	-44.4	173.2	-176.9	-121.3	0	0	0	111.9	A549 Y550 V553 S596 F600 V619 G620 F625 F626 T627	A549-W623 HydrophobicContact CB-CZ3 4.07Å; Y550-W623 HydrophobicContact CD2-CZ2 4.23Å; V553-W623 HydrophobicContact CB-CD2 4.39Å; V553-W623 HydrophobicContact CB-CE3 4.26Å; V553-W623 HydrophobicContact CG1-CB 4.12Å; V553-W623 HydrophobicContact CG1-CD2 4.04Å; V553-W623 HydrophobicContact CG1-CE3 4.35Å; V553-W623 HydrophobicContact CG1-CG 3.95Å; V553-W623 HydrophobicContact CG2-CD2 4.3Å; V553-W623 HydrophobicContact CG2-CE3 3.77Å; V553-W623 HydrophobicContact CG2-CZ3 4.22Å; S596-W623 PolarHBondContact O-NE1 2.85Å; F600-W623 HydrophobicContact CB-CZ2 4.26Å; F600-W623 HydrophobicContact CD2-CH2 4.26Å; F600-W623 AromaticContact CD2-CZ2 3.91Å; F600-W623 HydrophobicContact CD2-CZ2 3.91Å; V619-W623 WeakPolarHBondContact O-CB 3.36Å; V619-W623 PolarHBondContact O-N 2.76Å; G620-W623 PolarHBondContact O-N 2.89Å; W623-F625 PolarHBondContact O-N 2.87Å; W623-F626 AromaticContact CE3-CD1 3.69Å; W623-F626 HydrophobicContact CE3-CD1 3.69Å; W623-F626 HydrophobicContact CE3-CE1 4.28Å; W623-F626 HydrophobicContact CH2-CD1 4.26Å; W623-F626 HydrophobicContact CH2-CE1 4.15Å; W623-F626 AromaticContact CZ3-CD1 3.46Å; W623-F626 HydrophobicContact CZ3-CD1 3.46Å; W623-F626 VanDerWaalsContact CZ3-CD1 3.46Å; W623-F626 AromaticContact CZ3-CE1 3.57Å; W623-F626 HydrophobicContact CZ3-CE1 3.57Å; W623-F626 PolarHBondContact O-N 2.84Å; W623-T627 HydrophobicContact CD2-CG2 3.94Å; W623-T627 HydrophobicContact CE3-CG2 4.31Å; W623-T627 HydrophobicContact CG-CG2 4.46Å; W623-T627 HydrophobicContact CH2-CG2 4.26Å; W623-T627 HydrophobicContact CZ2-CG2 3.88Å; W623-T627 HydrophobicContact CZ3-CG2 4.47Å; W623-T627 WeakPolarHBondContact O-CG2 3.38Å; W623-T627 PolarHBondContact O-N 3.05Å; W623-T627 PolarHBondContact O-OG1 3.21Å
624	W	87	Confident	85.1	Confident	161 Å²	161	63.9 Å²	63.9	61%	0.61	33%	0.332	S	S	*	.	H	α-helix	trans	-63.9	-39.1	178.1	-171.3	60.5	0	0	0	113	G620 G621 T627 L628	G620-W624 WeakPolarHBondContact O-CB 3.34Å; G620-W624 PolarHBondContact O-N 2.86Å; G621-W624 PolarHBondContact O-N 2.87Å; W624-T627 PolarHBondContact O-OG1 3.34Å; W624-L628 VanDerWaalsContact O-CB 3.23Å; W624-L628 WeakPolarHBondContact O-CB 3.45Å; W624-L628 PolarHBondContact O-N 3.21Å
625	F	88.8	Confident	86.1	Confident	138 Å²	138	61.6 Å²	61.6	61%	0.605	32%	0.324	S	S	*	.	H	α-helix	trans	-65.4	-44.6	173.1	-176.7	-105.2	0	0	0	111.9	G621 V622 W623 L628 I629	G621-F625 PolarHBondContact O-N 2.99Å; V622-F625 PolarHBondContact O-N 2.84Å; W623-F625 PolarHBondContact O-N 2.87Å; F625-L628 PolarHBondContact O-N 3.28Å; F625-I629 HydrophobicContact CE1-CG1 4.17Å; F625-I629 HydrophobicContact CE2-CD1 4.37Å; F625-I629 HydrophobicContact CE2-CG1 4.32Å; F625-I629 HydrophobicContact CZ-CD1 4.2Å; F625-I629 HydrophobicContact CZ-CG1 4.05Å; F625-I629 WeakPolarHBondContact O-CG1 3.25Å; F625-I629 PolarHBondContact O-N 2.96Å; F625-I629 VanDerWaalsContact O-N 3.1Å
626	F	90.2	Very high	86.8	Confident	74 Å²	74	61.7 Å²	61.7	33%	0.325	33%	0.328	S	S	.	.	H	α-helix	trans	-58.2	-49.9	176	173.2	-100.6	0	0	0	112	A549 V622 W623 L628 I629 I630	A549-F626 HydrophobicContact CB-CE1 4.48Å; V622-F626 WeakPolarHBondContact O-CB 3.37Å; V622-F626 PolarHBondContact O-N 2.91Å; W623-F626 AromaticContact CE3-CD1 3.69Å; W623-F626 HydrophobicContact CE3-CD1 3.69Å; W623-F626 HydrophobicContact CE3-CE1 4.28Å; W623-F626 HydrophobicContact CH2-CD1 4.26Å; W623-F626 HydrophobicContact CH2-CE1 4.15Å; W623-F626 AromaticContact CZ3-CD1 3.46Å; W623-F626 HydrophobicContact CZ3-CD1 3.46Å; W623-F626 VanDerWaalsContact CZ3-CD1 3.46Å; W623-F626 AromaticContact CZ3-CE1 3.57Å; W623-F626 HydrophobicContact CZ3-CE1 3.57Å; W623-F626 PolarHBondContact O-N 2.84Å; F626-L628 PolarHBondContact O-N 3.22Å; F626-I629 PolarHBondContact O-N 2.85Å; F626-I630 HydrophobicContact CD1-CG1 4.4Å; F626-I630 HydrophobicContact CD2-CG1 4.27Å; F626-I630 HydrophobicContact CE1-CG1 4.05Å; F626-I630 HydrophobicContact CE2-CD1 4.14Å; F626-I630 HydrophobicContact CE2-CG1 3.91Å; F626-I630 HydrophobicContact CZ-CD1 4.15Å; F626-I630 HydrophobicContact CZ-CG1 3.8Å; F626-I630 WeakPolarHBondContact O-CG1 3.48Å; F626-I630 PolarHBondContact O-N 3.08Å
627	T	88.9	Confident	87.4	Confident	1 Å²	1	65 Å²	65	1%	0.006	35%	0.346	C	S	.	.	H	α-helix	trans	-69	-33.4	-179.4	58.8	0	0	0	0	112.5	F600 W623 W624 I631	F600-T627 HydrophobicContact CB-CG2 4.23Å; F600-T627 HydrophobicContact CD2-CG2 3.52Å; F600-T627 HydrophobicContact CE2-CG2 4.26Å; F600-T627 HydrophobicContact CG-CG2 4.22Å; W623-T627 HydrophobicContact CD2-CG2 3.94Å; W623-T627 HydrophobicContact CE3-CG2 4.31Å; W623-T627 HydrophobicContact CG-CG2 4.46Å; W623-T627 HydrophobicContact CH2-CG2 4.26Å; W623-T627 HydrophobicContact CZ2-CG2 3.88Å; W623-T627 HydrophobicContact CZ3-CG2 4.47Å; W623-T627 WeakPolarHBondContact O-CG2 3.38Å; W623-T627 PolarHBondContact O-N 3.05Å; W623-T627 PolarHBondContact O-OG1 3.21Å; W624-T627 PolarHBondContact O-OG1 3.34Å; T627-I631 WeakPolarHBondContact O-CB 3.2Å; T627-I631 WeakPolarHBondContact O-CD1 3.4Å; T627-I631 VanDerWaalsContact O-CG1 3.26Å; T627-I631 WeakPolarHBondContact O-CG1 3.41Å; T627-I631 PolarHBondContact O-N 3.22Å
628	L	88.4	Confident	87.6	Confident	65 Å²	65	61.3 Å²	61.3	34%	0.34	34%	0.335	S	S	.	.	H	α-helix	trans	-57.6	-50.1	171.3	-174	156.4	0	0	0	111.1	R602 W624 F625 F626 S632	R602-L628 PolarHBondContact NH2-O 3.35Å; W624-L628 VanDerWaalsContact O-CB 3.23Å; W624-L628 WeakPolarHBondContact O-CB 3.45Å; W624-L628 PolarHBondContact O-N 3.21Å; F625-L628 PolarHBondContact O-N 3.28Å; F626-L628 PolarHBondContact O-N 3.22Å; L628-S632 WeakPolarHBondContact O-CB 3.32Å; L628-S632 PolarHBondContact O-N 2.83Å; L628-S632 VanDerWaalsContact O-N 3.16Å; L628-S632 PolarHBondContact O-OG 3.38Å
629	I	91.1	Very high	87.3	Confident	85 Å²	85	59.1 Å²	59.1	44%	0.436	33%	0.332	S	S	.	.	H	α-helix	trans	-64.3	-49	179.5	-64.6	-64.3	0	0	0	111.8	F625 F626 I631 S632 S633	F625-I629 HydrophobicContact CE1-CG1 4.17Å; F625-I629 HydrophobicContact CE2-CD1 4.37Å; F625-I629 HydrophobicContact CE2-CG1 4.32Å; F625-I629 HydrophobicContact CZ-CD1 4.2Å; F625-I629 HydrophobicContact CZ-CG1 4.05Å; F625-I629 WeakPolarHBondContact O-CG1 3.25Å; F625-I629 PolarHBondContact O-N 2.96Å; F625-I629 VanDerWaalsContact O-N 3.1Å; F626-I629 PolarHBondContact O-N 2.85Å; I629-I631 PolarHBondContact O-N 2.91Å; I629-S632 PolarHBondContact O-N 3.15Å; I629-S633 WeakPolarHBondContact O-CB 3.42Å; I629-S633 PolarHBondContact O-N 2.79Å
630	I	91	Very high	87.1	Confident	30 Å²	30	60.2 Å²	60.2	15%	0.154	34%	0.344	C	S	.	.	H	α-helix	trans	-58.3	-48.2	-178.7	-70.1	-68	0	0	0	111.7	I546 F626 S632 S633 Y634	I546-I630 HydrophobicContact CD1-CG2 3.78Å; I546-I630 HydrophobicContact CG1-CG2 4.48Å; F626-I630 HydrophobicContact CD1-CG1 4.4Å; F626-I630 HydrophobicContact CD2-CG1 4.27Å; F626-I630 HydrophobicContact CE1-CG1 4.05Å; F626-I630 HydrophobicContact CE2-CD1 4.14Å; F626-I630 HydrophobicContact CE2-CG1 3.91Å; F626-I630 HydrophobicContact CZ-CD1 4.15Å; F626-I630 HydrophobicContact CZ-CG1 3.8Å; F626-I630 WeakPolarHBondContact O-CG1 3.48Å; F626-I630 PolarHBondContact O-N 3.08Å; I630-S632 VanDerWaalsContact C-N 3.34Å; I630-S632 PolarHBondContact O-N 2.99Å; I630-S633 PolarHBondContact O-N 2.88Å; I630-Y634 WeakPolarHBondContact O-CB 3.34Å; I630-Y634 PolarHBondContact O-N 3Å
631	I	89.8	Confident	86.9	Confident	36 Å²	36	64 Å²	64	19%	0.185	36%	0.357	C	S	.	.	H	α-helix	trans	-66.3	-38.9	-178.9	-66.5	164.5	0	0	0	111.1	F600 R602 T627 I629 Y634 T635	F600-I631 WeakPolarHBondContact O-CD1 3.5Å; R602-I631 HydrophobicContact CG-CD1 3.92Å; T627-I631 WeakPolarHBondContact O-CB 3.2Å; T627-I631 WeakPolarHBondContact O-CD1 3.4Å; T627-I631 VanDerWaalsContact O-CG1 3.26Å; T627-I631 WeakPolarHBondContact O-CG1 3.41Å; T627-I631 PolarHBondContact O-N 3.22Å; I629-I631 PolarHBondContact O-N 2.91Å; I631-Y634 PolarHBondContact O-N 3.41Å; I631-T635 PolarHBondContact O-N 3.17Å; I631-T635 PolarHBondContact O-OG1 3.11Å
632	S	89.1	Confident	86.3	Confident	47 Å²	47	65.5 Å²	65.5	33%	0.329	36%	0.356	S	S	.	.	H	α-helix	trans	-68.5	-40.5	-179.5	-51	0	0	0	0	111.1	R602 L628 I629 I630 T635 A636	R602-S632 PolarHBondContact NH2-OG 3.08Å; R602-S632 VanDerWaalsContact NH2-OG 3.16Å; L628-S632 WeakPolarHBondContact O-CB 3.32Å; L628-S632 PolarHBondContact O-N 2.83Å; L628-S632 VanDerWaalsContact O-N 3.16Å; L628-S632 PolarHBondContact O-OG 3.38Å; I629-S632 PolarHBondContact O-N 3.15Å; I630-S632 VanDerWaalsContact C-N 3.34Å; I630-S632 PolarHBondContact O-N 2.99Å; S632-T635 WeakPolarHBondContact CA-OG1 3.47Å; S632-T635 PolarHBondContact O-N 2.97Å; S632-T635 PolarHBondContact O-OG1 3.43Å; S632-A636 PolarHBondContact O-N 3.28Å; S632-A636 VanDerWaalsContact O-N 3.07Å
633	S	90.8	Very high	85.4	Confident	53 Å²	53	66.2 Å²	66.2	37%	0.371	36%	0.361	S	S	.	.	H	α-helix	trans	-60.8	-46.9	171.9	-172.8	0	0	0	0	111.9	I629 I630 T635 A636 N637	I629-S633 WeakPolarHBondContact O-CB 3.42Å; I629-S633 PolarHBondContact O-N 2.79Å; I630-S633 PolarHBondContact O-N 2.88Å; S633-T635 PolarHBondContact O-N 3.16Å; S633-A636 PolarHBondContact O-N 3.18Å; S633-N637 PolarHBondContact O-N 3.19Å
634	Y	90.9	Very high	84.3	Confident	52 Å²	52	70 Å²	70	20%	0.204	38%	0.384	C	S	.	.	H	α-helix	trans	-56.6	-46.8	174.5	174	-97.9	0	0	0	112.2	F534 P537 L538 W543 I630 I631 A636 N637 L638	F534-Y634 VanDerWaalsContact O-CE2 3.28Å; F534-Y634 WeakPolarHBondContact O-CE2 3.44Å; F534-Y634 PolarHBondContact O-OH 3.42Å; P537-Y634 HydrophobicContact CB-CD2 4.1Å; P537-Y634 HydrophobicContact CB-CE2 4.11Å; P537-Y634 HydrophobicContact CG-CE2 4.19Å; L538-Y634 HydrophobicContact CD1-CD2 4Å; L538-Y634 HydrophobicContact CG-CD2 4.12Å; W543-Y634 HydrophobicContact CZ2-CE2 4.38Å; I630-Y634 WeakPolarHBondContact O-CB 3.34Å; I630-Y634 PolarHBondContact O-N 3Å; I631-Y634 PolarHBondContact O-N 3.41Å; Y634-A636 VanDerWaalsContact C-N 3.33Å; Y634-A636 PolarHBondContact O-N 3.31Å; Y634-N637 PolarHBondContact O-N 3.28Å; Y634-L638 HydrophobicContact CE1-CD2 4.04Å; Y634-L638 VanDerWaalsContact O-CB 3.27Å; Y634-L638 WeakPolarHBondContact O-CB 3.27Å; Y634-L638 PolarHBondContact O-N 3.03Å
635	T	88.4	Confident	83.2	Confident	81 Å²	81	67 Å²	67	50%	0.497	38%	0.377	S	S	.	.	H	α-helix	trans	-64.1	-34.9	178.4	50.4	0	0	0	0	113.3	I631 S632 S633 A639	I631-T635 PolarHBondContact O-N 3.17Å; I631-T635 PolarHBondContact O-OG1 3.11Å; S632-T635 WeakPolarHBondContact CA-OG1 3.47Å; S632-T635 PolarHBondContact O-N 2.97Å; S632-T635 PolarHBondContact O-OG1 3.43Å; S633-T635 PolarHBondContact O-N 3.16Å; T635-A639 PolarHBondContact O-N 2.85Å
636	A	87.9	Confident	81.8	Confident	59 Å²	59	70.1 Å²	70.1	49%	0.488	39%	0.385	S	S	.	.	H	α-helix	trans	-69.7	-47.2	176	0	0	0	0	0	111.8	S632 S633 Y634 L638 A639 A640	S632-A636 PolarHBondContact O-N 3.28Å; S632-A636 VanDerWaalsContact O-N 3.07Å; S633-A636 PolarHBondContact O-N 3.18Å; Y634-A636 VanDerWaalsContact C-N 3.33Å; Y634-A636 PolarHBondContact O-N 3.31Å; A636-L638 PolarHBondContact O-N 2.82Å; A636-A639 PolarHBondContact O-N 3.03Å; A636-A640 PolarHBondContact O-N 2.95Å; A636-A640 VanDerWaalsContact O-N 3.08Å
637	N	86.7	Confident	80.4	Confident	71 Å²	71	71.2 Å²	71.2	38%	0.38	39%	0.392	S	S	.	.	H	α-helix	trans	-64.4	-39.6	178.5	-73.3	-0.4	0	0	0	112	P537 S633 Y634 A639 A640 F641	P537-N637 HydrophobicContact CB-CB 3.8Å; P537-N637 WeakPolarHBondContact O-CB 3.4Å; P537-N637 PolarHBondContact O-ND2 3Å; S633-N637 PolarHBondContact O-N 3.19Å; Y634-N637 PolarHBondContact O-N 3.28Å; N637-A639 VanDerWaalsContact C-N 3.35Å; N637-A639 PolarHBondContact O-N 3.07Å; N637-A640 PolarHBondContact O-N 3.41Å; N637-F641 WeakPolarHBondContact O-CB 3.19Å; N637-F641 PolarHBondContact O-N 2.9Å
638	L	82.7	Confident	79.5	Confident	44 Å²	44	76.5 Å²	76.5	23%	0.23	42%	0.424	C	S	.	.	H	α-helix	trans	-62.2	-41.5	176.8	179.2	63.1	0	0	0	111.6	P537 Y634 A636 F641 L642	P537-L638 HydrophobicContact CB-CB 4.35Å; P537-L638 HydrophobicContact CG-CB 4.01Å; P537-L638 HydrophobicContact CG-CD1 3.85Å; Y634-L638 HydrophobicContact CE1-CD2 4.04Å; Y634-L638 VanDerWaalsContact O-CB 3.27Å; Y634-L638 WeakPolarHBondContact O-CB 3.27Å; Y634-L638 PolarHBondContact O-N 3.03Å; A636-L638 PolarHBondContact O-N 2.82Å; L638-F641 PolarHBondContact O-N 2.74Å; L638-L642 HydrophobicContact CD1-CD1 4.03Å; L638-L642 HydrophobicContact CD1-CG 4.22Å; L638-L642 HydrophobicContact CG-CD1 4.07Å; L638-L642 WeakPolarHBondContact O-CB 3.39Å; L638-L642 VanDerWaalsContact O-CG 3.29Å; L638-L642 WeakPolarHBondContact O-CG 3.45Å; L638-L642 PolarHBondContact O-N 3.26Å
639	A	76.8	Confident	78.8	Confident	56 Å²	56	75 Å²	75	46%	0.463	42%	0.419	S	S	.	.	H	α-helix	trans	-65	-40.5	175.4	0	0	0	0	0	112.5	T635 A636 N637 T643	T635-A639 PolarHBondContact O-N 2.85Å; A636-A639 PolarHBondContact O-N 3.03Å; N637-A639 VanDerWaalsContact C-N 3.35Å; N637-A639 PolarHBondContact O-N 3.07Å; A639-T643 WeakPolarHBondContact O-CG2 3.38Å; A639-T643 PolarHBondContact O-N 3Å; A639-T643 PolarHBondContact O-OG1 3.38Å
640	A	79.2	Confident	78.1	Confident	56 Å²	56	75.5 Å²	75.5	46%	0.463	43%	0.428	S	S	.	.	H	α-helix	trans	-66.4	-39.2	174.7	0	0	0	0	0	112.8	A636 N637 T643 V644	A636-A640 PolarHBondContact O-N 2.95Å; A636-A640 VanDerWaalsContact O-N 3.08Å; N637-A640 PolarHBondContact O-N 3.41Å; A640-T643 WeakPolarHBondContact CA-OG1 3.33Å; A640-T643 PolarHBondContact O-N 3.49Å; A640-T643 PolarHBondContact O-OG1 2.93Å; A640-V644 PolarHBondContact O-N 3.37Å
641	F	74.6	Confident	77.8	Confident	93 Å²	93	74.2 Å²	74.2	41%	0.408	42%	0.421	S	S	.	.	H	α-helix	trans	-67.8	-41.7	178.7	-164.8	-98.2	0	0	0	112	D536 N637 L638 T643 V644	D536-F641 HydrophobicContact CB-CE1 4.29Å; D536-F641 HydrophobicContact CB-CE2 4.22Å; D536-F641 HydrophobicContact CB-CZ 3.88Å; N637-F641 WeakPolarHBondContact O-CB 3.19Å; N637-F641 PolarHBondContact O-N 2.9Å; L638-F641 PolarHBondContact O-N 2.74Å; F641-T643 PolarHBondContact O-N 3.04Å; F641-V644 PolarHBondContact O-N 3.06Å
642	L	72.4	Confident	77.5	Confident	70 Å²	70	79.1 Å²	79.1	37%	0.366	44%	0.443	S	S	.	.	H	α-helix	trans	-69.8	-15.4	177.6	-71.4	172.9	0	0	0	114.2	L638 L808	L638-L642 HydrophobicContact CD1-CD1 4.03Å; L638-L642 HydrophobicContact CD1-CG 4.22Å; L638-L642 HydrophobicContact CG-CD1 4.07Å; L638-L642 WeakPolarHBondContact O-CB 3.39Å; L638-L642 VanDerWaalsContact O-CG 3.29Å; L638-L642 WeakPolarHBondContact O-CG 3.45Å; L638-L642 PolarHBondContact O-N 3.26Å; L642-L808 HydrophobicContact CD1-CD1 4.14Å; L642-L808 HydrophobicContact CD2-CD1 3.69Å
643	T	70.1	Confident	77.5	Confident	113 Å²	113	78.7 Å²	78.7	69%	0.693	44%	0.44	S	S	*	.	H	α-helix	trans	-98.2	-17	178.8	43.7	0	0	0	0	113.9	A639 A640 F641	A639-T643 WeakPolarHBondContact O-CG2 3.38Å; A639-T643 PolarHBondContact O-N 3Å; A639-T643 PolarHBondContact O-OG1 3.38Å; A640-T643 WeakPolarHBondContact CA-OG1 3.33Å; A640-T643 PolarHBondContact O-N 3.49Å; A640-T643 PolarHBondContact O-OG1 2.93Å; F641-T643 PolarHBondContact O-N 3.04Å
644	V	65.6	Low	77.3	Confident	85 Å²	85	76.4 Å²	76.4	52%	0.515	42%	0.424	S	S	.	.			trans	-127	75.1	-173.4	-166.5	0	0	0	0	112.3	A640 F641 R646	A640-V644 PolarHBondContact O-N 3.37Å; F641-V644 PolarHBondContact O-N 3.06Å; V644-R646 VanDerWaalsContact C-N 3.34Å; V644-R646 HydrophobicContact CG1-CG 3.91Å; V644-R646 PolarHBondContact O-N 3.06Å
645	E	63.1	Low	77.1	Confident	98 Å²	98	78.9 Å²	78.9	46%	0.458	44%	0.438	S	S	.	.			trans	-66.9	84.3	169	-64.2	-178.3	140.1	0	0	111.5	K526	K526-E645 HydrophobicContact CD-CB 4.04Å; K526-E645 WeakPolarHBondContact CD-OE2 3.38Å; K526-E645 WeakPolarHBondContact CE-OE2 3.34Å; K526-E645 IonicContact NZ-OE2 2.6Å; K526-E645 PolarHBondContact NZ-OE2 2.88Å
646	R	60.1	Low	77.1	Confident	203 Å²	203	77.2 Å²	77.2	77%	0.766	43%	0.426	S	S	*	.	P	Polyproline II helix	trans	-69.4	133.3	175	-64.7	-169	177.6	-173.2	-0.2	111.2	V644	V644-R646 VanDerWaalsContact C-N 3.34Å; V644-R646 HydrophobicContact CG1-CG 3.91Å; V644-R646 PolarHBondContact O-N 3.06Å
647	M	61.7	Low	77.1	Confident	97 Å²	97	74.4 Å²	74.4	48%	0.478	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-78.5	122.9	166.8	-58.9	-179.1	-160	0	0	108.7	P524 K526	P524-M647 HydrophobicContact CG-CB 4.45Å; K526-M647 HydrophobicContact CG-CE 4.25Å; K526-M647 HydrophobicContact CG-CG 4.49Å
648	V	69.3	Low	77.2	Confident	113 Å²	113	71.3 Å²	71.3	69%	0.685	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-102.4	123	174.6	-176.6	0	0	0	0	108.9
649	S	73.1	Confident	77.5	Confident	33 Å²	33	75.3 Å²	75.3	23%	0.231	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-84.6	129	172	39.6	0	0	0	0	110.3	I651	S649-I651 PolarHBondContact O-N 3.23Å
650	P	76.5	Confident	78	Confident	95 Å²	95	75.2 Å²	75.2	62%	0.617	39%	0.392	S	S	*	.	S	Bend	trans	-76.7	-4.8	179.6	32	-36.7	0	0	0	113.9	I663	P650-I663 HydrophobicContact CG-CD1 4.25Å
651	I	84	Confident	78.4	Confident	3 Å²	3	78.1 Å²	78.1	2%	0.015	41%	0.405	C	S	.	.			trans	-138.9	129.3	179.4	-66.3	158.8	0	0	0	107.2	I521 S649 S653 L657 I663 V744	I521-I651 HydrophobicContact CG2-CD1 4.24Å; S649-I651 PolarHBondContact O-N 3.23Å; I651-S653 WeakPolarHBondContact CG2-O 3.19Å; I651-L657 HydrophobicContact CD1-CD2 3.51Å; I651-L657 HydrophobicContact CD1-CG 4.15Å; I651-L657 HydrophobicContact CG1-CD2 4.37Å; I651-L657 HydrophobicContact CG2-CG 4.14Å; I651-I663 HydrophobicContact CD1-CB 4.28Å; I651-I663 HydrophobicContact CD1-CD1 3.53Å; I651-I663 HydrophobicContact CD1-CG1 4.49Å; I651-I663 HydrophobicContact CD1-CG2 3.93Å; I651-I663 HydrophobicContact CG1-CD1 4.15Å; I651-V744 HydrophobicContact CG2-CG2 4.23Å
652	E	85	Confident	79	Confident	140 Å²	140	80 Å²	80	65%	0.654	42%	0.415	S	S	*	.	S	Bend	trans	-113.9	-26.8	170	-62.1	-171	168.9	0	0	112	D656 G745	E652-D656 PolarHBondContact N-OD2 3.34Å; E652-G745 WeakPolarHBondContact O-CA 3.39Å; E652-G745 PolarHBondContact O-N 2.85Å
653	S	87.9	Confident	79.9	Confident	37 Å²	37	77.6 Å²	77.6	26%	0.259	40%	0.402	S	S	.	.	S	Bend	trans	-133.1	166.4	-176.7	78.4	0	0	0	0	114.1	I651 E655 D656	I651-S653 WeakPolarHBondContact CG2-O 3.19Å; S653-E655 PolarHBondContact O-N 2.79Å; S653-E655 WeakPolarHBondContact OG-CB 3.48Å; S653-E655 PolarHBondContact OG-N 2.87Å; S653-D656 WeakPolarHBondContact CB-OD2 3.29Å; S653-D656 PolarHBondContact N-OD2 3.38Å; S653-D656 PolarHBondContact O-N 2.6Å; S653-D656 PolarHBondContact OG-N 3.45Å; S653-D656 PolarHBondContact OG-OD1 2.89Å; S653-D656 PolarHBondContact OG-OD2 2.86Å
654	A	86.6	Confident	81	Confident	5 Å²	5	73.3 Å²	73.3	4%	0.041	38%	0.378	C	S	.	.	H	α-helix	trans	-70.7	-19.4	169.6	0	0	0	0	0	113.2	I519 D656 A658 M691 L748	I519-A654 HydrophobicContact CD1-CB 4.13Å; A654-D656 VanDerWaalsContact C-N 3.28Å; A654-A658 PolarHBondContact O-N 3.29Å; A654-M691 HydrophobicContact CB-CE 4.42Å; A654-M691 HydrophobicContact CB-SD 4.23Å; A654-L748 HydrophobicContact CB-CD1 4.15Å; A654-L748 HydrophobicContact CB-CD2 3.45Å; A654-L748 VanDerWaalsContact CB-CD2 3.45Å; A654-L748 HydrophobicContact CB-CG 4.44Å
655	E	87.3	Confident	82.4	Confident	104 Å²	104	69.5 Å²	69.5	49%	0.486	35%	0.354	S	S	.	.	H	α-helix	trans	-64.5	-38.9	171.6	-63.7	-168.6	-177	0	0	111.3	S653 A658 K659 L687	S653-E655 PolarHBondContact O-N 2.79Å; S653-E655 WeakPolarHBondContact OG-CB 3.48Å; S653-E655 PolarHBondContact OG-N 2.87Å; E655-A658 CarbonylContact O-C 3.17Å; E655-A658 PolarHBondContact O-N 3.3Å; E655-A658 VanDerWaalsContact O-N 3.11Å; E655-K659 HydrophobicContact CB-CD 4.47Å; E655-K659 VanDerWaalsContact CB-NZ 3.3Å; E655-K659 WeakPolarHBondContact O-CD 3.26Å; E655-K659 WeakPolarHBondContact O-CG 3.23Å; E655-K659 PolarHBondContact O-N 3.32Å; E655-K659 WeakPolarHBondContact OE2-CE 3.37Å; E655-K659 IonicContact OE2-NZ 3.92Å; E655-K659 PolarHBondContact OE2-NZ 2.97Å; E655-L687 HydrophobicContact CB-CD1 4.43Å; E655-L687 HydrophobicContact CG-CD1 4.31Å; E655-L687 HydrophobicContact CG-CD2 3.9Å
656	D	88.8	Confident	83.8	Confident	47 Å²	47	64.8 Å²	64.8	25%	0.251	33%	0.332	S	S	.	.	H	α-helix	trans	-66.2	-47	-177	-48.7	-41.6	0	0	0	109.7	E652 S653 A654 A658 K659 Q660	E652-D656 PolarHBondContact N-OD2 3.34Å; S653-D656 WeakPolarHBondContact CB-OD2 3.29Å; S653-D656 PolarHBondContact N-OD2 3.38Å; S653-D656 PolarHBondContact O-N 2.6Å; S653-D656 PolarHBondContact OG-N 3.45Å; S653-D656 PolarHBondContact OG-OD1 2.89Å; S653-D656 PolarHBondContact OG-OD2 2.86Å; A654-D656 VanDerWaalsContact C-N 3.28Å; D656-A658 PolarHBondContact O-N 2.93Å; D656-K659 PolarHBondContact O-N 3.47Å; D656-K659 IonicContact OD1-NZ 2.88Å; D656-K659 PolarHBondContact OD1-NZ 3.12Å; D656-Q660 VanDerWaalsContact O-CG 3.29Å; D656-Q660 WeakPolarHBondContact O-CG 3.33Å; D656-Q660 PolarHBondContact O-N 3.2Å; D656-Q660 VanDerWaalsContact O-N 3.09Å
657	L	88.1	Confident	85.4	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-49	-42.6	169.3	-79.9	175.4	0	0	0	112.8	I519 I651 Q660 I663 Y665 A722	I519-L657 HydrophobicContact CD1-CD1 3.87Å; I519-L657 HydrophobicContact CG1-CD1 4.12Å; I519-L657 HydrophobicContact CG2-CD1 3.91Å; I651-L657 HydrophobicContact CD1-CD2 3.51Å; I651-L657 HydrophobicContact CD1-CG 4.15Å; I651-L657 HydrophobicContact CG1-CD2 4.37Å; I651-L657 HydrophobicContact CG2-CG 4.14Å; L657-Q660 PolarHBondContact O-NE2 3.38Å; L657-Q660 VanDerWaalsContact O-NE2 3.17Å; L657-I663 HydrophobicContact CD2-CG2 4.23Å; L657-Y665 HydrophobicContact CB-CD1 4.14Å; L657-Y665 HydrophobicContact CB-CE1 4.24Å; L657-Y665 HydrophobicContact CD2-CD1 3.96Å; L657-Y665 HydrophobicContact CD2-CG 4.47Å; L657-Y665 VanDerWaalsContact O-CE1 3.29Å; L657-Y665 WeakPolarHBondContact O-CE1 3.5Å; L657-A722 HydrophobicContact CD1-CB 4.42Å; L657-A722 HydrophobicContact CD2-CB 3.98Å
658	A	88.1	Confident	86.7	Confident	5 Å²	5	51.7 Å²	51.7	4%	0.041	28%	0.279	C	S	.	.	H	α-helix	trans	-82.1	-16	-179.4	0	0	0	0	0	114.3	A654 E655 D656 L687 K690 M691	A654-A658 PolarHBondContact O-N 3.29Å; E655-A658 CarbonylContact O-C 3.17Å; E655-A658 PolarHBondContact O-N 3.3Å; E655-A658 VanDerWaalsContact O-N 3.11Å; D656-A658 PolarHBondContact O-N 2.93Å; A658-L687 HydrophobicContact CB-CD1 3.37Å; A658-K690 WeakPolarHBondContact O-CE 3.48Å; A658-K690 PolarHBondContact O-NZ 3.49Å; A658-M691 HydrophobicContact CB-CG 3.79Å; A658-M691 HydrophobicContact CB-SD 4.44Å
659	K	88.9	Confident	87.2	Confident	129 Å²	129	49.4 Å²	49.4	56%	0.561	26%	0.263	S	S	*	.	H	α-helix	trans	-80.6	-41	174	-72.6	159	-167.3	156.9	0	111.1	E655 D656	E655-K659 HydrophobicContact CB-CD 4.47Å; E655-K659 VanDerWaalsContact CB-NZ 3.3Å; E655-K659 WeakPolarHBondContact O-CD 3.26Å; E655-K659 WeakPolarHBondContact O-CG 3.23Å; E655-K659 PolarHBondContact O-N 3.32Å; E655-K659 WeakPolarHBondContact OE2-CE 3.37Å; E655-K659 IonicContact OE2-NZ 3.92Å; E655-K659 PolarHBondContact OE2-NZ 2.97Å; D656-K659 PolarHBondContact O-N 3.47Å; D656-K659 IonicContact OD1-NZ 2.88Å; D656-K659 PolarHBondContact OD1-NZ 3.12Å
660	Q	88.1	Confident	87.2	Confident	54 Å²	54	51.8 Å²	51.8	25%	0.252	28%	0.28	S	S	.	.			trans	-98.5	171.8	-178.9	66.2	79.8	69.2	0	0	114	D656 L657 I663	D656-Q660 VanDerWaalsContact O-CG 3.29Å; D656-Q660 WeakPolarHBondContact O-CG 3.33Å; D656-Q660 PolarHBondContact O-N 3.2Å; D656-Q660 VanDerWaalsContact O-N 3.09Å; L657-Q660 PolarHBondContact O-NE2 3.38Å; L657-Q660 VanDerWaalsContact O-NE2 3.17Å; Q660-I663 PolarHBondContact NE2-O 3.16Å
661	T	87.3	Confident	87.1	Confident	117 Å²	117	47.8 Å²	47.8	72%	0.718	26%	0.256	S	S	*	.	S	Bend	trans	-133.4	-0	179.2	52.1	0	0	0	0	114.8
662	E	88	Confident	87	Confident	132 Å²	132	48.8 Å²	48.8	62%	0.617	26%	0.263	S	S	*	.	S	Bend	trans	-75.3	-40.7	-178.4	-179.7	175.6	-175.8	0	0	112.5	K720	E662-K720 IonicContact OE1-NZ 3.29Å; E662-K720 PolarHBondContact OE1-NZ 2.98Å
663	I	91.1	Very high	87.1	Confident	19 Å²	19	42.5 Å²	42.5	10%	0.097	23%	0.234	C	C	.	.	S	Bend	trans	-93.2	105.1	175.4	-57.5	175.4	0	0	0	107.2	P650 I651 L657 Q660 G719 A722	P650-I663 HydrophobicContact CG-CD1 4.25Å; I651-I663 HydrophobicContact CD1-CB 4.28Å; I651-I663 HydrophobicContact CD1-CD1 3.53Å; I651-I663 HydrophobicContact CD1-CG1 4.49Å; I651-I663 HydrophobicContact CD1-CG2 3.93Å; I651-I663 HydrophobicContact CG1-CD1 4.15Å; L657-I663 HydrophobicContact CD2-CG2 4.23Å; Q660-I663 PolarHBondContact NE2-O 3.16Å; I663-G719 WeakPolarHBondContact CG2-O 3.39Å; I663-A722 HydrophobicContact CG2-CB 4.2Å
664	A	93.3	Very high	87	Confident	23 Å²	23	43 Å²	43	19%	0.19	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	155.9	175.5	0	0	0	0	0	111.2	Y694 K720 Y721 A722	A664-Y694 WeakPolarHBondContact CA-OH 3.44Å; A664-Y694 VanDerWaalsContact CB-OH 3.29Å; A664-Y694 WeakPolarHBondContact CB-OH 3.44Å; A664-K720 PolarHBondContact N-O 2.69Å; A664-K720 VanDerWaalsContact N-O 3.11Å; A664-Y721 HydrophobicContact CB-CD2 4.14Å; A664-Y721 CarbonylContact O-C 3.55Å; A664-Y721 VanDerWaalsContact O-CA 3.25Å; A664-Y721 WeakPolarHBondContact O-CA 3.44Å; A664-A722 PolarHBondContact O-N 3.35Å
665	Y	93.9	Very high	86.8	Confident	5 Å²	5	46.8 Å²	46.8	2%	0.02	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	150.8	178.7	53.2	-90	0	0	0	112.9	L657 M691 Y694 M695 V702 A722 L724	L657-Y665 HydrophobicContact CB-CD1 4.14Å; L657-Y665 HydrophobicContact CB-CE1 4.24Å; L657-Y665 HydrophobicContact CD2-CD1 3.96Å; L657-Y665 HydrophobicContact CD2-CG 4.47Å; L657-Y665 VanDerWaalsContact O-CE1 3.29Å; L657-Y665 WeakPolarHBondContact O-CE1 3.5Å; Y665-M691 HydrophobicContact CD2-CE 3.87Å; Y665-M691 HydrophobicContact CE2-CB 3.87Å; Y665-M691 HydrophobicContact CE2-CE 3.7Å; Y665-M691 HydrophobicContact CE2-CG 3.97Å; Y665-Y694 HydrophobicContact CD1-CD1 4.38Å; Y665-Y694 HydrophobicContact CD1-CE1 4.05Å; Y665-Y694 HydrophobicContact CD2-CD1 4.17Å; Y665-Y694 HydrophobicContact CD2-CE1 4.31Å; Y665-Y694 AromaticContact CE1-CD1 3.8Å; Y665-Y694 HydrophobicContact CE1-CD1 3.8Å; Y665-Y694 AromaticContact CE1-CE1 3.83Å; Y665-Y694 HydrophobicContact CE1-CE1 3.83Å; Y665-Y694 HydrophobicContact CE1-CG 4.46Å; Y665-Y694 AromaticContact CE2-CD1 3.55Å; Y665-Y694 HydrophobicContact CE2-CD1 3.55Å; Y665-Y694 HydrophobicContact CE2-CE1 4.09Å; Y665-Y694 HydrophobicContact CE2-CG 4.44Å; Y665-Y694 HydrophobicContact CG-CE1 4.29Å; Y665-Y694 AromaticContact CZ-CD1 3.34Å; Y665-Y694 AromaticContact CZ-CE1 3.85Å; Y665-Y694 AromaticContact CZ-CG 3.95Å; Y665-Y694 WeakPolarHBondContact OH-CD1 3.42Å; Y665-M695 HydrophobicContact CD2-CG 4Å; Y665-M695 HydrophobicContact CD2-SD 4.22Å; Y665-M695 HydrophobicContact CE2-CG 4Å; Y665-V702 VanDerWaalsContact O-CB 3.28Å; Y665-V702 WeakPolarHBondContact O-CB 3.46Å; Y665-V702 WeakPolarHBondContact O-CG2 3.43Å; Y665-A722 VanDerWaalsContact CA-O 3.28Å; Y665-A722 WeakPolarHBondContact CA-O 3.46Å; Y665-L724 HydrophobicContact CD2-CD1 4.24Å
666	G	93.6	Very high	86.7	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	178.5	-177	0	0	0	0	0	114.7	V702 A722 Y723 L724	G666-V702 WeakPolarHBondContact CA-O 3.14Å; G666-A722 PolarHBondContact N-O 3.14Å; G666-Y723 WeakPolarHBondContact O-CD2 3.35Å; G666-L724 WeakPolarHBondContact O-CB 3.46Å; G666-L724 PolarHBondContact O-N 3.25Å
667	T	93	Very high	86.6	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.222	C	C	.	.			trans	-134.9	172	-171.2	52.5	0	0	0	0	111.9	T673 F677 M695 F703 V704 L724	T667-T673 HydrophobicContact CG2-CG2 3.55Å; T667-F677 HydrophobicContact CG2-CD2 4.09Å; T667-F677 HydrophobicContact CG2-CE2 4.03Å; T667-M695 HydrophobicContact CG2-SD 4.08Å; T667-F703 WeakPolarHBondContact O-CA 3.41Å; T667-F703 VanDerWaalsContact OG1-CD1 3.32Å; T667-F703 WeakPolarHBondContact OG1-CD1 3.13Å; T667-F703 VanDerWaalsContact OG1-CE1 3.28Å; T667-F703 WeakPolarHBondContact OG1-CE1 3.24Å; T667-V704 PolarHBondContact O-N 2.89Å; T667-L724 HydrophobicContact CG2-CB 3.7Å; T667-L724 HydrophobicContact CG2-CD1 4.16Å
668	L	88.3	Confident	86.3	Confident	25 Å²	25	47.8 Å²	47.8	13%	0.131	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-68.5	129	172.3	-170.6	74.2	0	0	0	111.4	Y467 S670 G671 K674	Y467-L668 HydrophobicContact CE2-CD2 4.38Å; L668-S670 VanDerWaalsContact C-N 3.25Å; L668-S670 PolarHBondContact O-N 3.5Å; L668-S670 VanDerWaalsContact O-N 3.15Å; L668-G671 PolarHBondContact O-N 2.76Å; L668-G671 VanDerWaalsContact O-N 3.11Å; L668-K674 WeakPolarHBondContact O-CB 3.21Å
669	D	80.8	Confident	85.3	Confident	64 Å²	64	50.5 Å²	50.5	34%	0.342	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-22	-169.5	-170.1	53.2	0	0	0	115.1	K674 F703 V704	D669-K674 WeakPolarHBondContact O-CD 3.19Å; D669-K674 PolarHBondContact O-NZ 3.04Å; D669-K674 IonicContact OD1-NZ 3.82Å; D669-K674 PolarHBondContact OD1-NZ 2.99Å; D669-F703 HydrophobicContact CB-CB 4.12Å; D669-V704 WeakPolarHBondContact CB-O 3.43Å; D669-V704 PolarHBondContact N-O 3.19Å
670	S	73	Confident	83.9	Confident	83 Å²	83	44.8 Å²	44.8	58%	0.58	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-124.7	27.2	175.3	-65.9	0	0	0	0	112.6	L668	L668-S670 VanDerWaalsContact C-N 3.25Å; L668-S670 PolarHBondContact O-N 3.5Å; L668-S670 VanDerWaalsContact O-N 3.15Å
671	G	75.1	Confident	82.1	Confident	11 Å²	11	46.4 Å²	46.4	11%	0.113	25%	0.248	C	C	.	.	S	Bend	trans	-95.7	156.1	-176.9	0	0	0	0	0	115.2	L668 T673 K674 E675	L668-G671 PolarHBondContact O-N 2.76Å; L668-G671 VanDerWaalsContact O-N 3.11Å; G671-T673 PolarHBondContact O-N 2.55Å; G671-K674 PolarHBondContact O-N 3.33Å; G671-K674 VanDerWaalsContact O-N 3.08Å; G671-E675 PolarHBondContact O-N 3.09Å
672	S	81.2	Confident	80.4	Confident	24 Å²	24	52.2 Å²	52.2	17%	0.168	26%	0.256	C	S	.	.	H	α-helix	trans	-55.6	-31.5	170.3	53.2	0	0	0	0	112.5	T497 F676	T497-S672 PolarHBondContact OG1-OG 2.83Å; S672-F676 WeakPolarHBondContact O-CB 3.32Å; S672-F676 PolarHBondContact O-N 2.83Å
673	T	86.9	Confident	78.5	Confident	8 Å²	8	49.2 Å²	49.2	5%	0.049	25%	0.25	C	S	.	.	H	α-helix	trans	-61.9	-40.5	174.2	-49.8	0	0	0	0	113.3	I517 T667 G671 F676 F677	I517-T673 HydrophobicContact CD1-CG2 3.86Å; I517-T673 HydrophobicContact CG1-CG2 3.93Å; I517-T673 HydrophobicContact CG2-CG2 3.79Å; T667-T673 HydrophobicContact CG2-CG2 3.55Å; G671-T673 PolarHBondContact O-N 2.55Å; T673-F676 WeakPolarHBondContact O-CB 3.48Å; T673-F676 PolarHBondContact O-N 2.81Å; T673-F677 HydrophobicContact CG2-CD2 4.34Å; T673-F677 HydrophobicContact CG2-CE2 3.96Å; T673-F677 WeakPolarHBondContact O-CD2 3.36Å; T673-F677 PolarHBondContact O-N 2.67Å
674	K	86.4	Confident	76.8	Confident	47 Å²	47	58 Å²	58	20%	0.204	29%	0.288	C	S	.	.	H	α-helix	trans	-69.3	-45.5	178.4	178.1	-178.5	174.3	-173.7	0	111	L668 D669 G671 F676 F677 R678 W692 F703	L668-K674 WeakPolarHBondContact O-CB 3.21Å; D669-K674 WeakPolarHBondContact O-CD 3.19Å; D669-K674 PolarHBondContact O-NZ 3.04Å; D669-K674 IonicContact OD1-NZ 3.82Å; D669-K674 PolarHBondContact OD1-NZ 2.99Å; G671-K674 PolarHBondContact O-N 3.33Å; G671-K674 VanDerWaalsContact O-N 3.08Å; K674-F676 VanDerWaalsContact C-N 3.28Å; K674-F676 PolarHBondContact O-N 3.19Å; K674-F677 PolarHBondContact O-N 3.2Å; K674-R678 PolarHBondContact O-N 2.63Å; K674-W692 HydrophobicContact CG-CH2 4.31Å; K674-W692 HydrophobicContact CG-CZ3 4.06Å; K674-F703 HydrophobicContact CD-CD1 3.99Å; K674-F703 HydrophobicContact CD-CE1 3.91Å; K674-F703 HydrophobicContact CG-CD1 4.35Å; K674-F703 HydrophobicContact CG-CE1 3.86Å
675	E	82.4	Confident	75.8	Confident	86 Å²	86	60.9 Å²	60.9	40%	0.402	30%	0.299	S	S	.	.	H	α-helix	trans	-69.8	-25.5	177.6	-163	59.4	-137.6	0	0	112.1	G671 R678 S679	G671-E675 PolarHBondContact O-N 3.09Å; E675-R678 WeakPolarHBondContact OE1-CD 3.44Å; E675-R678 IonicContact OE1-NH1 2.69Å; E675-R678 WeakPolarHBondContact OE2-CD 3.39Å; E675-R678 IonicContact OE2-CZ 3.4Å; E675-R678 IonicContact OE2-NE 2.75Å; E675-R678 IonicContact OE2-NH1 3.33Å; E675-R678 PolarHBondContact OE2-NH1 3.34Å; E675-S679 VanDerWaalsContact O-CB 3.25Å; E675-S679 WeakPolarHBondContact O-CB 3.35Å; E675-S679 PolarHBondContact O-N 2.85Å; E675-S679 PolarHBondContact O-OG 2.9Å
676	F	85.4	Confident	75.3	Confident	42 Å²	42	64.5 Å²	64.5	18%	0.184	33%	0.33	C	S	.	.	H	α-helix	trans	-59.9	-52.9	167.1	170.2	-91.8	0	0	0	111.4	I517 S672 T673 K674 R678 S679 T680 F688 D749	I517-F676 HydrophobicContact CD1-CB 4.26Å; I517-F676 HydrophobicContact CD1-CD1 3.32Å; I517-F676 HydrophobicContact CD1-CD2 4.42Å; I517-F676 HydrophobicContact CD1-CE1 3.64Å; I517-F676 HydrophobicContact CD1-CG 3.76Å; I517-F676 HydrophobicContact CD1-CZ 4.3Å; S672-F676 WeakPolarHBondContact O-CB 3.32Å; S672-F676 PolarHBondContact O-N 2.83Å; T673-F676 WeakPolarHBondContact O-CB 3.48Å; T673-F676 PolarHBondContact O-N 2.81Å; K674-F676 VanDerWaalsContact C-N 3.28Å; K674-F676 PolarHBondContact O-N 3.19Å; F676-R678 VanDerWaalsContact C-N 3.33Å; F676-R678 PolarHBondContact O-N 2.97Å; F676-S679 PolarHBondContact O-N 2.78Å; F676-S679 PolarHBondContact O-OG 3.45Å; F676-T680 WeakPolarHBondContact O-CB 3.3Å; F676-T680 PolarHBondContact O-N 2.96Å; F676-T680 PolarHBondContact O-OG1 2.93Å; F676-F688 HydrophobicContact CE1-CD2 4.4Å; F676-F688 HydrophobicContact CZ-CD2 4.42Å; F676-F688 HydrophobicContact CZ-CE2 4.34Å; F676-D749 HydrophobicContact CE2-CB 4.19Å; F676-D749 HydrophobicContact CZ-CB 4.25Å
677	F	84.9	Confident	74.9	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-63.6	-38.3	178.6	-73.7	-69.4	0	0	0	112.4	I517 T667 T673 K674 F688 M691 W692 M695 L724	I517-F677 HydrophobicContact CD1-CE2 4.33Å; T667-F677 HydrophobicContact CG2-CD2 4.09Å; T667-F677 HydrophobicContact CG2-CE2 4.03Å; T673-F677 HydrophobicContact CG2-CD2 4.34Å; T673-F677 HydrophobicContact CG2-CE2 3.96Å; T673-F677 WeakPolarHBondContact O-CD2 3.36Å; T673-F677 PolarHBondContact O-N 2.67Å; K674-F677 PolarHBondContact O-N 3.2Å; F677-F688 HydrophobicContact CD1-CB 4.14Å; F677-F688 HydrophobicContact CE1-CB 4.22Å; F677-F688 AromaticContact CE1-CD1 3.95Å; F677-F688 HydrophobicContact CE1-CD1 3.95Å; F677-F688 HydrophobicContact CE1-CG 4.18Å; F677-M691 HydrophobicContact CE1-SD 4.49Å; F677-W692 HydrophobicContact CB-CB 4.2Å; F677-W692 HydrophobicContact CB-CD2 4.25Å; F677-W692 HydrophobicContact CB-CE3 3.72Å; F677-W692 HydrophobicContact CB-CG 4.46Å; F677-M695 HydrophobicContact CB-CE 4.08Å; F677-M695 HydrophobicContact CD1-CE 4.12Å; F677-M695 HydrophobicContact CD2-CE 3.73Å; F677-M695 HydrophobicContact CE2-CE 4.2Å; F677-M695 HydrophobicContact CG-CE 3.71Å; F677-L724 HydrophobicContact CE2-CD1 3.98Å; F677-L724 HydrophobicContact CZ-CD1 4.06Å
678	R	81.6	Confident	74.7	Confident	130 Å²	130	67.5 Å²	67.5	49%	0.491	35%	0.345	S	S	.	.	H	α-helix	trans	-66.1	-43.8	175.5	-172.2	-177.9	179.1	-154.8	6.8	113.7	K674 E675 F676 Q681 W692	K674-R678 PolarHBondContact O-N 2.63Å; E675-R678 WeakPolarHBondContact OE1-CD 3.44Å; E675-R678 IonicContact OE1-NH1 2.69Å; E675-R678 WeakPolarHBondContact OE2-CD 3.39Å; E675-R678 IonicContact OE2-CZ 3.4Å; E675-R678 IonicContact OE2-NE 2.75Å; E675-R678 IonicContact OE2-NH1 3.33Å; E675-R678 PolarHBondContact OE2-NH1 3.34Å; F676-R678 VanDerWaalsContact C-N 3.33Å; F676-R678 PolarHBondContact O-N 2.97Å; R678-Q681 WeakPolarHBondContact O-CB 3.14Å; R678-Q681 PolarHBondContact O-N 3.49Å; R678-W692 HydrophobicContact CB-CD2 4.38Å; R678-W692 HydrophobicContact CB-CH2 3.81Å; R678-W692 HydrophobicContact CB-CZ2 3.55Å; R678-W692 HydrophobicContact CB-CZ3 4.31Å; R678-W692 HydrophobicContact CG-CH2 4.17Å; R678-W692 HydrophobicContact CG-CZ2 3.56Å
679	S	67.3	Low	74.5	Confident	62 Å²	62	69.2 Å²	69.2	43%	0.434	35%	0.354	S	S	.	.	H	α-helix	trans	-74	-29.9	178.1	56.7	0	0	0	0	112.2	E675 F676 Q681 R682	E675-S679 VanDerWaalsContact O-CB 3.25Å; E675-S679 WeakPolarHBondContact O-CB 3.35Å; E675-S679 PolarHBondContact O-N 2.85Å; E675-S679 PolarHBondContact O-OG 2.9Å; F676-S679 PolarHBondContact O-N 2.78Å; F676-S679 PolarHBondContact O-OG 3.45Å; S679-Q681 PolarHBondContact O-N 2.94Å; S679-R682 WeakPolarHBondContact O-CB 3.21Å; S679-R682 PolarHBondContact O-N 3.24Å
680	T	59.3	Low	74.9	Confident	8 Å²	8	71.8 Å²	71.8	5%	0.049	36%	0.362	C	S	.	.	H	α-helix	trans	-63.4	-19.7	174.9	-60.4	0	0	0	0	113.1	F676 R682 S683 I685 F688	F676-T680 WeakPolarHBondContact O-CB 3.3Å; F676-T680 PolarHBondContact O-N 2.96Å; F676-T680 PolarHBondContact O-OG1 2.93Å; T680-R682 PolarHBondContact O-N 3.28Å; T680-R682 VanDerWaalsContact O-N 3.08Å; T680-S683 WeakPolarHBondContact CA-OG 3.3Å; T680-S683 PolarHBondContact O-N 2.89Å; T680-S683 PolarHBondContact O-OG 3.38Å; T680-I685 HydrophobicContact CG2-CB 4.4Å; T680-F688 HydrophobicContact CG2-CB 3.8Å; T680-F688 HydrophobicContact CG2-CD2 4.07Å; T680-F688 HydrophobicContact CG2-CG 4.46Å
681	Q	51.6	Low	75.7	Confident	89 Å²	89	67.9 Å²	67.9	42%	0.416	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-22.4	167.1	-169.6	165.6	23.2	0	0	113.2	R678 S679	R678-Q681 WeakPolarHBondContact O-CB 3.14Å; R678-Q681 PolarHBondContact O-N 3.49Å; S679-Q681 PolarHBondContact O-N 2.94Å
682	R	50.3	Low	76.4	Confident	238 Å²	238	68.2 Å²	68.2	90%	0.898	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-16.2	171.7	-76.3	-179.4	166.2	162	-4.3	114.7	S679 T680	S679-R682 WeakPolarHBondContact O-CB 3.21Å; S679-R682 PolarHBondContact O-N 3.24Å; T680-R682 PolarHBondContact O-N 3.28Å; T680-R682 VanDerWaalsContact O-N 3.08Å
683	S	49.4	Very low	76.8	Confident	69 Å²	69	69.6 Å²	69.6	48%	0.483	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.7	30	-166	64.7	0	0	0	0	115.5	T680 I685	T680-S683 WeakPolarHBondContact CA-OG 3.3Å; T680-S683 PolarHBondContact O-N 2.89Å; T680-S683 PolarHBondContact O-OG 3.38Å; S683-I685 PolarHBondContact O-N 2.8Å; S683-I685 VanDerWaalsContact O-N 3.15Å
684	K	55.2	Low	77	Confident	204 Å²	204	72 Å²	72	89%	0.887	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.2	12.4	153.6	-58.8	-178.3	175.6	-179.9	0	119.1	A686	K684-A686 PolarHBondContact O-N 3.43Å
685	I	72.8	Confident	77.3	Confident	83 Å²	83	69.9 Å²	69.9	43%	0.426	34%	0.34	S	S	.	.			trans	-85.4	99.1	169.2	-57.1	178.9	0	0	0	109.4	T680 S683 L687 F688 D689	T680-I685 HydrophobicContact CG2-CB 4.4Å; S683-I685 PolarHBondContact O-N 2.8Å; S683-I685 VanDerWaalsContact O-N 3.15Å; I685-L687 HydrophobicContact CG2-CB 4.17Å; I685-L687 PolarHBondContact O-N 2.91Å; I685-L687 VanDerWaalsContact O-N 3.15Å; I685-F688 HydrophobicContact CB-CB 4.48Å; I685-F688 HydrophobicContact CB-CD2 3.84Å; I685-F688 HydrophobicContact CB-CG 4.41Å; I685-F688 HydrophobicContact CD1-CD2 3.88Å; I685-F688 HydrophobicContact CD1-CE2 3.86Å; I685-F688 HydrophobicContact CG1-CD2 4.45Å; I685-F688 HydrophobicContact CG2-CB 4.38Å; I685-F688 HydrophobicContact CG2-CD2 3.57Å; I685-F688 HydrophobicContact CG2-CE2 3.98Å; I685-F688 HydrophobicContact CG2-CG 3.97Å; I685-F688 PolarHBondContact O-N 3.32Å; I685-D689 PolarHBondContact O-N 2.74Å; I685-D689 VanDerWaalsContact O-N 3.13Å
686	A	82.1	Confident	77.7	Confident	81 Å²	81	73.2 Å²	73.2	67%	0.669	35%	0.349	S	S	*	.	H	α-helix	trans	-56.5	-31.7	-174.8	0	0	0	0	0	114.1	K684 K690	K684-A686 PolarHBondContact O-N 3.43Å; A686-K690 WeakPolarHBondContact O-CB 2.81Å; A686-K690 PolarHBondContact O-N 2.88Å; A686-K690 VanDerWaalsContact O-N 3.07Å
687	L	86.3	Confident	78	Confident	47 Å²	47	75.3 Å²	75.3	25%	0.246	37%	0.368	C	S	.	.	H	α-helix	trans	-58	-52.5	172.9	173.1	63	0	0	0	111.7	E655 A658 I685 K690 M691	E655-L687 HydrophobicContact CB-CD1 4.43Å; E655-L687 HydrophobicContact CG-CD1 4.31Å; E655-L687 HydrophobicContact CG-CD2 3.9Å; A658-L687 HydrophobicContact CB-CD1 3.37Å; I685-L687 HydrophobicContact CG2-CB 4.17Å; I685-L687 PolarHBondContact O-N 2.91Å; I685-L687 VanDerWaalsContact O-N 3.15Å; L687-K690 PolarHBondContact O-N 3.14Å; L687-M691 HydrophobicContact CD1-SD 4.45Å; L687-M691 HydrophobicContact CG-SD 4.45Å; L687-M691 WeakPolarHBondContact O-CG 2.83Å; L687-M691 PolarHBondContact O-N 3.09Å
688	F	87.4	Confident	78.3	Confident	17 Å²	17	76.1 Å²	76.1	8%	0.075	38%	0.375	C	S	.	.	H	α-helix	trans	-74.6	-29.7	-174.5	-60.9	-29.5	0	0	0	112.4	F676 F677 T680 I685 M691 W692 L748	F676-F688 HydrophobicContact CE1-CD2 4.4Å; F676-F688 HydrophobicContact CZ-CD2 4.42Å; F676-F688 HydrophobicContact CZ-CE2 4.34Å; F677-F688 HydrophobicContact CD1-CB 4.14Å; F677-F688 HydrophobicContact CE1-CB 4.22Å; F677-F688 AromaticContact CE1-CD1 3.95Å; F677-F688 HydrophobicContact CE1-CD1 3.95Å; F677-F688 HydrophobicContact CE1-CG 4.18Å; T680-F688 HydrophobicContact CG2-CB 3.8Å; T680-F688 HydrophobicContact CG2-CD2 4.07Å; T680-F688 HydrophobicContact CG2-CG 4.46Å; I685-F688 HydrophobicContact CB-CB 4.48Å; I685-F688 HydrophobicContact CB-CD2 3.84Å; I685-F688 HydrophobicContact CB-CG 4.41Å; I685-F688 HydrophobicContact CD1-CD2 3.88Å; I685-F688 HydrophobicContact CD1-CE2 3.86Å; I685-F688 HydrophobicContact CG1-CD2 4.45Å; I685-F688 HydrophobicContact CG2-CB 4.38Å; I685-F688 HydrophobicContact CG2-CD2 3.57Å; I685-F688 HydrophobicContact CG2-CE2 3.98Å; I685-F688 HydrophobicContact CG2-CG 3.97Å; I685-F688 PolarHBondContact O-N 3.32Å; F688-M691 HydrophobicContact CD1-SD 4.13Å; F688-M691 PolarHBondContact O-N 2.95Å; F688-W692 WeakPolarHBondContact O-CB 3.39Å; F688-W692 PolarHBondContact O-N 3.14Å; F688-L748 HydrophobicContact CE1-CD2 4.27Å; F688-L748 HydrophobicContact CZ-CB 4.33Å; F688-L748 HydrophobicContact CZ-CD2 4.39Å
689	D	85.4	Confident	78.5	Confident	60 Å²	60	79 Å²	79	32%	0.321	39%	0.394	S	S	.	.	H	α-helix	trans	-68.6	-37.7	171.4	-172.8	49.1	0	0	0	112.2	I685 W692 T693	I685-D689 PolarHBondContact O-N 2.74Å; I685-D689 VanDerWaalsContact O-N 3.13Å; D689-W692 PolarHBondContact O-N 2.83Å; D689-T693 VanDerWaalsContact O-CB 3.29Å; D689-T693 WeakPolarHBondContact O-CB 3.33Å; D689-T693 PolarHBondContact O-N 2.86Å; D689-T693 PolarHBondContact O-OG1 3.02Å
690	K	88.1	Confident	79.6	Confident	119 Å²	119	81.3 Å²	81.3	52%	0.517	41%	0.408	S	S	.	.	H	α-helix	trans	-62.2	-44.9	170.4	-167.6	-173.7	-177.2	-167.3	0	111.3	A658 A686 L687 T693 Y694	A658-K690 WeakPolarHBondContact O-CE 3.48Å; A658-K690 PolarHBondContact O-NZ 3.49Å; A686-K690 WeakPolarHBondContact O-CB 2.81Å; A686-K690 PolarHBondContact O-N 2.88Å; A686-K690 VanDerWaalsContact O-N 3.07Å; L687-K690 PolarHBondContact O-N 3.14Å; K690-T693 PolarHBondContact O-N 2.58Å; K690-Y694 PolarHBondContact O-N 3.21Å
691	M	90	Very high	81.2	Confident	0 Å²	0	84.2 Å²	84.2	0%	0	43%	0.429	C	S	.	.	H	α-helix	trans	-63.3	-42.3	176.5	-69.6	-178.3	80.3	0	0	112.4	A654 A658 Y665 F677 L687 F688 M695 L724	A654-M691 HydrophobicContact CB-CE 4.42Å; A654-M691 HydrophobicContact CB-SD 4.23Å; A658-M691 HydrophobicContact CB-CG 3.79Å; A658-M691 HydrophobicContact CB-SD 4.44Å; Y665-M691 HydrophobicContact CD2-CE 3.87Å; Y665-M691 HydrophobicContact CE2-CB 3.87Å; Y665-M691 HydrophobicContact CE2-CE 3.7Å; Y665-M691 HydrophobicContact CE2-CG 3.97Å; F677-M691 HydrophobicContact CE1-SD 4.49Å; L687-M691 HydrophobicContact CD1-SD 4.45Å; L687-M691 HydrophobicContact CG-SD 4.45Å; L687-M691 WeakPolarHBondContact O-CG 2.83Å; L687-M691 PolarHBondContact O-N 3.09Å; F688-M691 HydrophobicContact CD1-SD 4.13Å; F688-M691 PolarHBondContact O-N 2.95Å; M691-M695 HydrophobicContact CB-CE 4.38Å; M691-M695 WeakPolarHBondContact O-CE 3.3Å; M691-M695 WeakPolarHBondContact O-CG 3.44Å; M691-M695 PolarHBondContact O-N 3.18Å; M691-L724 HydrophobicContact CE-CD1 3.98Å
692	W	90.4	Very high	83.2	Confident	18 Å²	18	80.1 Å²	80.1	7%	0.068	41%	0.41	C	S	.	.	H	α-helix	trans	-64.9	-44.5	176.3	177.2	-122.5	0	0	0	111.9	K674 F677 R678 F688 D689 Y694 M695 R696 F703	K674-W692 HydrophobicContact CG-CH2 4.31Å; K674-W692 HydrophobicContact CG-CZ3 4.06Å; F677-W692 HydrophobicContact CB-CB 4.2Å; F677-W692 HydrophobicContact CB-CD2 4.25Å; F677-W692 HydrophobicContact CB-CE3 3.72Å; F677-W692 HydrophobicContact CB-CG 4.46Å; R678-W692 HydrophobicContact CB-CD2 4.38Å; R678-W692 HydrophobicContact CB-CH2 3.81Å; R678-W692 HydrophobicContact CB-CZ2 3.55Å; R678-W692 HydrophobicContact CB-CZ3 4.31Å; R678-W692 HydrophobicContact CG-CH2 4.17Å; R678-W692 HydrophobicContact CG-CZ2 3.56Å; F688-W692 WeakPolarHBondContact O-CB 3.39Å; F688-W692 PolarHBondContact O-N 3.14Å; D689-W692 PolarHBondContact O-N 2.83Å; W692-Y694 PolarHBondContact O-N 3.18Å; W692-M695 HydrophobicContact CE3-CE 4.45Å; W692-M695 PolarHBondContact O-N 3.47Å; W692-R696 WeakPolarHBondContact O-CB 3.46Å; W692-R696 PolarHBondContact O-N 3.43Å; W692-F703 HydrophobicContact CH2-CZ 4.45Å; W692-F703 HydrophobicContact CZ3-CE1 4.22Å; W692-F703 AromaticContact CZ3-CZ 3.93Å; W692-F703 HydrophobicContact CZ3-CZ 3.93Å
693	T	89.4	Confident	85.3	Confident	54 Å²	54	70.1 Å²	70.1	33%	0.331	37%	0.373	S	S	.	.	H	α-helix	trans	-59.1	-46.7	176.9	-65.2	0	0	0	0	111.1	D689 K690 R696 S697	D689-T693 VanDerWaalsContact O-CB 3.29Å; D689-T693 WeakPolarHBondContact O-CB 3.33Å; D689-T693 PolarHBondContact O-N 2.86Å; D689-T693 PolarHBondContact O-OG1 3.02Å; K690-T693 PolarHBondContact O-N 2.58Å; T693-R696 PolarHBondContact O-N 2.96Å; T693-S697 PolarHBondContact O-N 3.37Å; T693-S697 VanDerWaalsContact O-N 3.1Å; T693-S697 PolarHBondContact O-OG 3.47Å
694	Y	91.8	Very high	87.2	Confident	58 Å²	58	66.9 Å²	66.9	23%	0.227	35%	0.35	C	S	.	.	H	α-helix	trans	-57.9	-52.7	172.6	170.4	-92.9	0	0	0	111.9	A664 Y665 K690 W692 R696 S697 A698 V702	A664-Y694 WeakPolarHBondContact CA-OH 3.44Å; A664-Y694 VanDerWaalsContact CB-OH 3.29Å; A664-Y694 WeakPolarHBondContact CB-OH 3.44Å; Y665-Y694 HydrophobicContact CD1-CD1 4.38Å; Y665-Y694 HydrophobicContact CD1-CE1 4.05Å; Y665-Y694 HydrophobicContact CD2-CD1 4.17Å; Y665-Y694 HydrophobicContact CD2-CE1 4.31Å; Y665-Y694 AromaticContact CE1-CD1 3.8Å; Y665-Y694 HydrophobicContact CE1-CD1 3.8Å; Y665-Y694 AromaticContact CE1-CE1 3.83Å; Y665-Y694 HydrophobicContact CE1-CE1 3.83Å; Y665-Y694 HydrophobicContact CE1-CG 4.46Å; Y665-Y694 AromaticContact CE2-CD1 3.55Å; Y665-Y694 HydrophobicContact CE2-CD1 3.55Å; Y665-Y694 HydrophobicContact CE2-CE1 4.09Å; Y665-Y694 HydrophobicContact CE2-CG 4.44Å; Y665-Y694 HydrophobicContact CG-CE1 4.29Å; Y665-Y694 AromaticContact CZ-CD1 3.34Å; Y665-Y694 AromaticContact CZ-CE1 3.85Å; Y665-Y694 AromaticContact CZ-CG 3.95Å; Y665-Y694 WeakPolarHBondContact OH-CD1 3.42Å; K690-Y694 PolarHBondContact O-N 3.21Å; W692-Y694 PolarHBondContact O-N 3.18Å; Y694-R696 PolarHBondContact O-N 3.24Å; Y694-S697 CarbonylContact O-C 3.56Å; Y694-S697 PolarHBondContact O-N 2.79Å; Y694-S697 PolarHBondContact O-OG 3.3Å; Y694-A698 HydrophobicContact CE1-CB 4.31Å; Y694-A698 VanDerWaalsContact O-CB 3.29Å; Y694-A698 WeakPolarHBondContact O-CB 3.37Å; Y694-A698 PolarHBondContact O-N 2.99Å; Y694-V702 HydrophobicContact CE1-CG1 4.5Å
695	M	92.2	Very high	88.7	Confident	3 Å²	3	65.6 Å²	65.6	2%	0.015	34%	0.344	C	S	.	.	H	α-helix	trans	-60.6	-31.3	-178.6	-74	-173.2	-76.2	0	0	112.8	Y665 T667 F677 M691 W692 V702 F703 L724	Y665-M695 HydrophobicContact CD2-CG 4Å; Y665-M695 HydrophobicContact CD2-SD 4.22Å; Y665-M695 HydrophobicContact CE2-CG 4Å; T667-M695 HydrophobicContact CG2-SD 4.08Å; F677-M695 HydrophobicContact CB-CE 4.08Å; F677-M695 HydrophobicContact CD1-CE 4.12Å; F677-M695 HydrophobicContact CD2-CE 3.73Å; F677-M695 HydrophobicContact CE2-CE 4.2Å; F677-M695 HydrophobicContact CG-CE 3.71Å; M691-M695 HydrophobicContact CB-CE 4.38Å; M691-M695 WeakPolarHBondContact O-CE 3.3Å; M691-M695 WeakPolarHBondContact O-CG 3.44Å; M691-M695 PolarHBondContact O-N 3.18Å; W692-M695 HydrophobicContact CE3-CE 4.45Å; W692-M695 PolarHBondContact O-N 3.47Å; M695-V702 HydrophobicContact CB-CG2 3.98Å; M695-V702 HydrophobicContact CG-CG2 3.97Å; M695-F703 HydrophobicContact CB-CE1 4.44Å; M695-F703 HydrophobicContact CB-CZ 3.9Å; M695-F703 VanDerWaalsContact O-CE2 3.23Å; M695-F703 WeakPolarHBondContact O-CE2 3.16Å; M695-L724 HydrophobicContact SD-CD1 4.41Å
696	R	90.4	Very high	89.4	Confident	156 Å²	156	65.1 Å²	65.1	59%	0.589	35%	0.346	S	S	*	.	H	α-helix	trans	-75.5	-28.4	176.3	-172.7	-178	65.7	165.3	-0.8	113.3	W692 T693 Y694	W692-R696 WeakPolarHBondContact O-CB 3.46Å; W692-R696 PolarHBondContact O-N 3.43Å; T693-R696 PolarHBondContact O-N 2.96Å; Y694-R696 PolarHBondContact O-N 3.24Å
697	S	91.2	Very high	89.6	Confident	85 Å²	85	62.3 Å²	62.3	59%	0.594	32%	0.32	S	S	*	.	H	α-helix	trans	-105.8	9.1	-178.7	71.3	0	0	0	0	114.2	T693 Y694	T693-S697 PolarHBondContact O-N 3.37Å; T693-S697 VanDerWaalsContact O-N 3.1Å; T693-S697 PolarHBondContact O-OG 3.47Å; Y694-S697 CarbonylContact O-C 3.56Å; Y694-S697 PolarHBondContact O-N 2.79Å; Y694-S697 PolarHBondContact O-OG 3.3Å
698	A	91.1	Very high	89.8	Confident	17 Å²	17	63 Å²	63	14%	0.14	33%	0.332	C	S	.	.			trans	-87	114.7	-174.7	0	0	0	0	0	112	Y694 P700 S701 V702	Y694-A698 HydrophobicContact CE1-CB 4.31Å; Y694-A698 VanDerWaalsContact O-CB 3.29Å; Y694-A698 WeakPolarHBondContact O-CB 3.37Å; Y694-A698 PolarHBondContact O-N 2.99Å; A698-P700 CarbonylContact O-C 3.58Å; A698-S701 PolarHBondContact O-N 3.48Å; A698-V702 HydrophobicContact CB-CB 4.47Å; A698-V702 HydrophobicContact CB-CG1 3.61Å; A698-V702 HydrophobicContact CB-CG2 4.09Å
699	E	87.6	Confident	90	Very high	191 Å²	191	66 Å²	66	89%	0.893	35%	0.346	S	S	*	.	S	Bend	trans	-108.1	130.6	172.5	-63.2	-174	170.8	0	0	110.2
700	P	90.1	Very high	90.3	Very high	111 Å²	111	63.1 Å²	63.1	72%	0.721	33%	0.331	S	S	*	.	S	Bend	cis	-71.4	155.2	-8	32.7	-36.5	0	0	0	112.3	A698 V702	A698-P700 CarbonylContact O-C 3.58Å; P700-V702 PolarHBondContact O-N 3.02Å
701	S	92.8	Very high	90.6	Very high	69 Å²	69	57.8 Å²	57.8	48%	0.483	31%	0.309	S	S	.	.			trans	-42.2	126.1	-174.8	-179.3	0	0	0	0	113.7	A698 F703 R713	A698-S701 PolarHBondContact O-N 3.48Å; S701-F703 PolarHBondContact OG-N 3.19Å; S701-R713 VanDerWaalsContact O-CZ 3.31Å; S701-R713 PolarHBondContact O-NH1 3.46Å; S701-R713 PolarHBondContact O-NH2 3.45Å
702	V	93.6	Very high	90.7	Very high	3 Å²	3	62.8 Å²	62.8	2%	0.018	33%	0.332	C	S	.	.			trans	-82.4	-14.3	177.2	-67.7	0	0	0	0	113.5	Y665 G666 Y694 M695 A698 P700 Y721	Y665-V702 VanDerWaalsContact O-CB 3.28Å; Y665-V702 WeakPolarHBondContact O-CB 3.46Å; Y665-V702 WeakPolarHBondContact O-CG2 3.43Å; G666-V702 WeakPolarHBondContact CA-O 3.14Å; Y694-V702 HydrophobicContact CE1-CG1 4.5Å; M695-V702 HydrophobicContact CB-CG2 3.98Å; M695-V702 HydrophobicContact CG-CG2 3.97Å; A698-V702 HydrophobicContact CB-CB 4.47Å; A698-V702 HydrophobicContact CB-CG1 3.61Å; A698-V702 HydrophobicContact CB-CG2 4.09Å; P700-V702 PolarHBondContact O-N 3.02Å; V702-Y721 HydrophobicContact CB-CE2 4.42Å; V702-Y721 PolarHBondContact O-OH 2.77Å
703	F	93.1	Very high	90.9	Very high	28 Å²	28	65.1 Å²	65.1	12%	0.123	34%	0.341	C	S	.	.			trans	-74.3	154.6	176.1	-55.8	-79	0	0	0	111.5	T667 D669 K674 W692 M695 S701 R713	T667-F703 WeakPolarHBondContact O-CA 3.41Å; T667-F703 VanDerWaalsContact OG1-CD1 3.32Å; T667-F703 WeakPolarHBondContact OG1-CD1 3.13Å; T667-F703 VanDerWaalsContact OG1-CE1 3.28Å; T667-F703 WeakPolarHBondContact OG1-CE1 3.24Å; D669-F703 HydrophobicContact CB-CB 4.12Å; K674-F703 HydrophobicContact CD-CD1 3.99Å; K674-F703 HydrophobicContact CD-CE1 3.91Å; K674-F703 HydrophobicContact CG-CD1 4.35Å; K674-F703 HydrophobicContact CG-CE1 3.86Å; W692-F703 HydrophobicContact CH2-CZ 4.45Å; W692-F703 HydrophobicContact CZ3-CE1 4.22Å; W692-F703 AromaticContact CZ3-CZ 3.93Å; W692-F703 HydrophobicContact CZ3-CZ 3.93Å; M695-F703 HydrophobicContact CB-CE1 4.44Å; M695-F703 HydrophobicContact CB-CZ 3.9Å; M695-F703 VanDerWaalsContact O-CE2 3.23Å; M695-F703 WeakPolarHBondContact O-CE2 3.16Å; S701-F703 PolarHBondContact OG-N 3.19Å; F703-R713 PolarHBondContact O-NH1 2.89Å
704	V	91	Very high	91.2	Very high	1 Å²	1	62.5 Å²	62.5	1%	0.006	33%	0.325	C	S	.	.	B	Isolated β-bridge	trans	-131.2	151.7	177.3	-67.4	0	0	0	0	110.7	T667 D669 E709 Y723	T667-V704 PolarHBondContact O-N 2.89Å; D669-V704 WeakPolarHBondContact CB-O 3.43Å; D669-V704 PolarHBondContact N-O 3.19Å; V704-E709 HydrophobicContact CB-CB 4.27Å; V704-E709 HydrophobicContact CB-CG 4Å; V704-E709 HydrophobicContact CG1-CG 3.96Å; V704-Y723 HydrophobicContact CG2-CD2 4.38Å; V704-Y723 HydrophobicContact CG2-CE2 3.42Å; V704-Y723 VanDerWaalsContact CG2-CE2 3.42Å; V704-Y723 WeakPolarHBondContact CG2-OH 3Å
705	K	86.9	Confident	91.2	Very high	176 Å²	176	62.5 Å²	62.5	77%	0.765	32%	0.324	S	S	*	.	S	Bend	trans	-81.8	-26.8	-177.1	-63.1	-178.9	-179.6	179.4	0	112.8	E709	K705-E709 WeakPolarHBondContact CA-OE2 3.18Å; K705-E709 WeakPolarHBondContact CB-OE2 3.29Å; K705-E709 PolarHBondContact N-OE2 2.99Å
706	T	86.3	Confident	91.2	Very high	74 Å²	74	69.3 Å²	69.3	45%	0.454	35%	0.354	S	S	.	.	S	Bend	trans	-135.9	154.2	-179.5	66.3	0	0	0	0	112.8	A708 E709 G710	T706-A708 VanDerWaalsContact C-N 3.27Å; T706-A708 PolarHBondContact O-N 3.38Å; T706-E709 PolarHBondContact N-OE2 2.92Å; T706-E709 WeakPolarHBondContact O-CB 3.44Å; T706-E709 PolarHBondContact O-N 3.43Å; T706-E709 VanDerWaalsContact OG1-CB 3.27Å; T706-E709 WeakPolarHBondContact OG1-CB 3.12Å; T706-E709 PolarHBondContact OG1-N 3.38Å; T706-G710 PolarHBondContact O-N 3.31Å
707	T	87.2	Confident	91.2	Very high	21 Å²	21	64 Å²	64	13%	0.129	34%	0.341	C	S	.	.	H	α-helix	trans	-58.4	-39.7	175.7	-44	0	0	0	0	111.9	E419 G710 V711 Y723 L725 M729	E419-T707 PolarHBondContact OE1-OG1 3.01Å; T707-G710 PolarHBondContact O-N 2.92Å; T707-V711 WeakPolarHBondContact O-CG2 3.37Å; T707-V711 PolarHBondContact O-N 3.32Å; T707-V711 VanDerWaalsContact O-N 3.08Å; T707-Y723 HydrophobicContact CG2-CE1 4.39Å; T707-L725 HydrophobicContact CG2-CD1 4.38Å; T707-M729 HydrophobicContact CG2-CE 3.81Å; T707-M729 HydrophobicContact CG2-CG 3.89Å
708	A	89.9	Confident	91	Very high	62 Å²	62	68.8 Å²	68.8	51%	0.512	35%	0.351	S	S	.	.	H	α-helix	trans	-65.9	-36.8	178.8	0	0	0	0	0	113.1	T706 Q712	T706-A708 VanDerWaalsContact C-N 3.27Å; T706-A708 PolarHBondContact O-N 3.38Å; A708-Q712 WeakPolarHBondContact O-CG 3.29Å; A708-Q712 PolarHBondContact O-N 3.44Å
709	E	91.9	Very high	90.8	Very high	79 Å²	79	69.1 Å²	69.1	37%	0.369	36%	0.356	S	S	.	.	H	α-helix	trans	-62.8	-44.9	173.6	-178.6	-171.5	178.3	0	0	111.3	V704 K705 T706 Q712 R713	V704-E709 HydrophobicContact CB-CB 4.27Å; V704-E709 HydrophobicContact CB-CG 4Å; V704-E709 HydrophobicContact CG1-CG 3.96Å; K705-E709 WeakPolarHBondContact CA-OE2 3.18Å; K705-E709 WeakPolarHBondContact CB-OE2 3.29Å; K705-E709 PolarHBondContact N-OE2 2.99Å; T706-E709 PolarHBondContact N-OE2 2.92Å; T706-E709 WeakPolarHBondContact O-CB 3.44Å; T706-E709 PolarHBondContact O-N 3.43Å; T706-E709 VanDerWaalsContact OG1-CB 3.27Å; T706-E709 WeakPolarHBondContact OG1-CB 3.12Å; T706-E709 PolarHBondContact OG1-N 3.38Å; E709-Q712 PolarHBondContact O-N 2.94Å; E709-R713 WeakPolarHBondContact O-CB 3.16Å; E709-R713 PolarHBondContact O-N 3Å
710	G	92.3	Very high	90.9	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-58.8	-48.4	174.9	0	0	0	0	0	113	T706 T707 Q712 R713 V714	T706-G710 PolarHBondContact O-N 3.31Å; T707-G710 PolarHBondContact O-N 2.92Å; G710-Q712 PolarHBondContact O-N 2.69Å; G710-R713 WeakPolarHBondContact O-CB 3.35Å; G710-R713 PolarHBondContact O-N 3.41Å; G710-R713 VanDerWaalsContact O-N 3.16Å; G710-V714 PolarHBondContact O-N 3.06Å
711	V	93.3	Very high	91.1	Very high	8 Å²	8	60.4 Å²	60.4	5%	0.048	30%	0.304	C	S	.	.	H	α-helix	trans	-58.8	-46.2	174.9	173.8	0	0	0	0	111.2	M520 T707 R713 V714 R715 I733	M520-V711 HydrophobicContact CE-CG2 4.14Å; M520-V711 HydrophobicContact SD-CG2 3.98Å; T707-V711 WeakPolarHBondContact O-CG2 3.37Å; T707-V711 PolarHBondContact O-N 3.32Å; T707-V711 VanDerWaalsContact O-N 3.08Å; V711-R713 VanDerWaalsContact C-N 3.31Å; V711-R713 PolarHBondContact O-N 3.37Å; V711-V714 PolarHBondContact O-N 3.34Å; V711-R715 WeakPolarHBondContact O-CG 3.35Å; V711-R715 PolarHBondContact O-N 3.14Å; V711-I733 HydrophobicContact CG1-CG2 3.7Å; V711-I733 HydrophobicContact CG2-CD1 4.35Å; V711-I733 HydrophobicContact CG2-CG1 4.14Å; V711-I733 HydrophobicContact CG2-CG2 4.03Å
712	Q	93.2	Very high	91.2	Very high	105 Å²	105	57.1 Å²	57.1	49%	0.491	28%	0.281	S	S	.	.	H	α-helix	trans	-63.3	-35.3	176.5	-75	-167.5	32.4	0	0	112.9	A708 E709 G710 R715 K716	A708-Q712 WeakPolarHBondContact O-CG 3.29Å; A708-Q712 PolarHBondContact O-N 3.44Å; E709-Q712 PolarHBondContact O-N 2.94Å; G710-Q712 PolarHBondContact O-N 2.69Å; Q712-R715 PolarHBondContact O-N 3.11Å; Q712-K716 WeakPolarHBondContact O-CB 3.36Å; Q712-K716 VanDerWaalsContact O-CG 3.25Å; Q712-K716 WeakPolarHBondContact O-CG 3.34Å; Q712-K716 PolarHBondContact O-N 3.34Å
713	R	94.7	Very high	91.3	Very high	66 Å²	66	57.1 Å²	57.1	25%	0.249	28%	0.28	C	S	.	.	H	α-helix	trans	-63.1	-47.7	176.4	-166.6	171.9	176.4	164.2	2	110.8	S701 F703 E709 G710 V711 R715 K716 S717 Y721	S701-R713 VanDerWaalsContact O-CZ 3.31Å; S701-R713 PolarHBondContact O-NH1 3.46Å; S701-R713 PolarHBondContact O-NH2 3.45Å; F703-R713 PolarHBondContact O-NH1 2.89Å; E709-R713 WeakPolarHBondContact O-CB 3.16Å; E709-R713 PolarHBondContact O-N 3Å; G710-R713 WeakPolarHBondContact O-CB 3.35Å; G710-R713 PolarHBondContact O-N 3.41Å; G710-R713 VanDerWaalsContact O-N 3.16Å; V711-R713 VanDerWaalsContact C-N 3.31Å; V711-R713 PolarHBondContact O-N 3.37Å; R713-R715 PolarHBondContact O-N 2.88Å; R713-K716 PolarHBondContact O-N 3Å; R713-S717 WeakPolarHBondContact O-CB 3.49Å; R713-S717 PolarHBondContact O-N 2.65Å; R713-S717 PolarHBondContact O-OG 3.12Å; R713-S717 VanDerWaalsContact O-OG 3.07Å; R713-Y721 HydrophobicContact CB-CD1 3.99Å; R713-Y721 HydrophobicContact CB-CE1 3.93Å; R713-Y721 HydrophobicContact CG-CD1 3.65Å; R713-Y721 HydrophobicContact CG-CD2 4.47Å; R713-Y721 HydrophobicContact CG-CE1 3.74Å; R713-Y721 HydrophobicContact CG-CG 4.03Å
714	V	94.3	Very high	91.3	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-56.7	-49.9	173.1	176.8	0	0	0	0	111.4	M520 I521 K522 G710 V711 K716 S717 Y721 Y723 T741	M520-V714 HydrophobicContact CG-CG1 4.43Å; I521-V714 VanDerWaalsContact C-CG1 3.49Å; K522-V714 HydrophobicContact CB-CG1 4.08Å; K522-V714 VanDerWaalsContact N-CG1 3.27Å; G710-V714 PolarHBondContact O-N 3.06Å; V711-V714 PolarHBondContact O-N 3.34Å; V714-K716 VanDerWaalsContact C-N 3.34Å; V714-K716 PolarHBondContact O-N 3.4Å; V714-S717 PolarHBondContact O-N 3Å; V714-Y721 HydrophobicContact CG2-CD1 3.75Å; V714-Y721 HydrophobicContact CG2-CE1 4.14Å; V714-Y723 VanDerWaalsContact CG2-CB 3.46Å; V714-T741 HydrophobicContact CG1-CG2 4.45Å
715	R	92.4	Very high	91.4	Very high	57 Å²	57	56.1 Å²	56.1	22%	0.215	28%	0.276	C	S	.	.	H	α-helix	trans	-60.6	-39.6	-178.7	-70.7	-177.3	165	170.1	-0.3	112.6	K522 V711 Q712 R713 K737 D740 T741	K522-R715 PolarHBondContact NZ-O 3.4Å; V711-R715 WeakPolarHBondContact O-CG 3.35Å; V711-R715 PolarHBondContact O-N 3.14Å; Q712-R715 PolarHBondContact O-N 3.11Å; R713-R715 PolarHBondContact O-N 2.88Å; R715-K737 PolarHBondContact NH1-O 3.22Å; R715-K737 PolarHBondContact NH2-O 2.93Å; R715-D740 WeakPolarHBondContact CD-OD1 3.16Å; R715-D740 WeakPolarHBondContact CG-OD2 3.48Å; R715-D740 IonicContact CZ-OD1 3.96Å; R715-D740 IonicContact NE-OD1 3.94Å; R715-D740 PolarHBondContact NE-OD1 3.01Å; R715-D740 IonicContact NE-OD2 3.55Å; R715-D740 IonicContact NH2-OD1 3.19Å; R715-D740 PolarHBondContact NH2-OD1 3.3Å; R715-T741 HydrophobicContact CG-CG2 4.13Å
716	K	92.9	Very high	91.6	Very high	146 Å²	146	48.8 Å²	48.8	64%	0.635	24%	0.244	S	C	*	.	H	α-helix	trans	-77.4	-38.3	-179.6	-71.4	168.6	-175.3	168.9	0	113	Q712 R713 V714 K718	Q712-K716 WeakPolarHBondContact O-CB 3.36Å; Q712-K716 VanDerWaalsContact O-CG 3.25Å; Q712-K716 WeakPolarHBondContact O-CG 3.34Å; Q712-K716 PolarHBondContact O-N 3.34Å; R713-K716 PolarHBondContact O-N 3Å; V714-K716 VanDerWaalsContact C-N 3.34Å; V714-K716 PolarHBondContact O-N 3.4Å; K716-K718 PolarHBondContact O-N 3.31Å
717	S	89.9	Confident	92	Very high	44 Å²	44	45.4 Å²	45.4	31%	0.308	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	6.9	-173.9	-69.1	0	0	0	0	116.4	R713 V714 G719 K720	R713-S717 WeakPolarHBondContact O-CB 3.49Å; R713-S717 PolarHBondContact O-N 2.65Å; R713-S717 PolarHBondContact O-OG 3.12Å; R713-S717 VanDerWaalsContact O-OG 3.07Å; V714-S717 PolarHBondContact O-N 3Å; S717-G719 PolarHBondContact O-N 2.92Å; S717-K720 WeakPolarHBondContact O-CB 3.36Å; S717-K720 PolarHBondContact O-N 2.93Å
718	K	86.8	Confident	92.2	Very high	187 Å²	187	44.4 Å²	44.4	81%	0.813	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.5	35.2	177.3	-57.9	-176.5	-178.2	178	0	114.2	K716	K716-K718 PolarHBondContact O-N 3.31Å
719	G	85.9	Confident	92.2	Very high	23 Å²	23	42.3 Å²	42.3	24%	0.237	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.2	-12.7	-177.8	0	0	0	0	0	115.6	I663 S717 Y721	I663-G719 WeakPolarHBondContact CG2-O 3.39Å; S717-G719 PolarHBondContact O-N 2.92Å; G719-Y721 PolarHBondContact O-N 3.44Å
720	K	91	Very high	92.3	Very high	116 Å²	116	38.6 Å²	38.6	50%	0.504	18%	0.18	S	C	.	.	S	Bend	trans	-80.6	11.5	178.1	-58.4	-166.7	-178.3	-119.7	0	115.1	E662 A664 S717	E662-K720 IonicContact OE1-NZ 3.29Å; E662-K720 PolarHBondContact OE1-NZ 2.98Å; A664-K720 PolarHBondContact N-O 2.69Å; A664-K720 VanDerWaalsContact N-O 3.11Å; S717-K720 WeakPolarHBondContact O-CB 3.36Å; S717-K720 PolarHBondContact O-N 2.93Å
721	Y	94.2	Very high	92.2	Very high	4 Å²	4	40.2 Å²	40.2	2%	0.016	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	129.6	170.5	-178.8	-98.8	0	0	0	110.4	A664 V702 R713 V714 G719 Y723	A664-Y721 HydrophobicContact CB-CD2 4.14Å; A664-Y721 CarbonylContact O-C 3.55Å; A664-Y721 VanDerWaalsContact O-CA 3.25Å; A664-Y721 WeakPolarHBondContact O-CA 3.44Å; V702-Y721 HydrophobicContact CB-CE2 4.42Å; V702-Y721 PolarHBondContact O-OH 2.77Å; R713-Y721 HydrophobicContact CB-CD1 3.99Å; R713-Y721 HydrophobicContact CB-CE1 3.93Å; R713-Y721 HydrophobicContact CG-CD1 3.65Å; R713-Y721 HydrophobicContact CG-CD2 4.47Å; R713-Y721 HydrophobicContact CG-CE1 3.74Å; R713-Y721 HydrophobicContact CG-CG 4.03Å; V714-Y721 HydrophobicContact CG2-CD1 3.75Å; V714-Y721 HydrophobicContact CG2-CE1 4.14Å; G719-Y721 PolarHBondContact O-N 3.44Å; Y721-Y723 HydrophobicContact CE1-CD2 4.31Å
722	A	94.2	Very high	92.2	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	144.6	171.7	0	0	0	0	0	110.2	I519 M520 I521 L657 I663 A664 Y665 G666	I519-A722 HydrophobicContact CG2-CB 4.11Å; M520-A722 WeakPolarHBondContact O-CA 3.24Å; I521-A722 HydrophobicContact CG2-CB 3.93Å; L657-A722 HydrophobicContact CD1-CB 4.42Å; L657-A722 HydrophobicContact CD2-CB 3.98Å; I663-A722 HydrophobicContact CG2-CB 4.2Å; A664-A722 PolarHBondContact O-N 3.35Å; Y665-A722 VanDerWaalsContact CA-O 3.28Å; Y665-A722 WeakPolarHBondContact CA-O 3.46Å; G666-A722 PolarHBondContact N-O 3.14Å
723	Y	95.4	Very high	92.1	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.008	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	132.6	-178.9	-173.2	-132.2	0	0	0	110.9	M520 G666 V704 T707 V714 Y721 L725	M520-Y723 PolarHBondContact N-O 3.36Å; M520-Y723 PolarHBondContact O-N 2.93Å; G666-Y723 WeakPolarHBondContact O-CD2 3.35Å; V704-Y723 HydrophobicContact CG2-CD2 4.38Å; V704-Y723 HydrophobicContact CG2-CE2 3.42Å; V704-Y723 VanDerWaalsContact CG2-CE2 3.42Å; V704-Y723 WeakPolarHBondContact CG2-OH 3Å; T707-Y723 HydrophobicContact CG2-CE1 4.39Å; V714-Y723 VanDerWaalsContact CG2-CB 3.46Å; Y721-Y723 HydrophobicContact CE1-CD2 4.31Å; Y723-L725 HydrophobicContact CD1-CB 4.29Å; Y723-L725 HydrophobicContact CD1-CD1 4.45Å; Y723-L725 HydrophobicContact CD1-CD2 3.88Å; Y723-L725 HydrophobicContact CD1-CG 4.43Å; Y723-L725 HydrophobicContact CE1-CB 4.05Å; Y723-L725 HydrophobicContact CE1-CD1 4.38Å; Y723-L725 HydrophobicContact CE1-CD2 4.45Å; Y723-L725 WeakPolarHBondContact O-CD2 3.15Å
724	L	94.3	Very high	91.9	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	108.8	-176.6	-65.5	171.3	0	0	0	109.7	I517 S518 I519 Y665 G666 T667 F677 M691 M695 L748	I517-L724 HydrophobicContact CG2-CB 4.26Å; S518-L724 WeakPolarHBondContact O-CA 3.38Å; I519-L724 HydrophobicContact CB-CD2 4.43Å; I519-L724 HydrophobicContact CG1-CD2 3.82Å; Y665-L724 HydrophobicContact CD2-CD1 4.24Å; G666-L724 WeakPolarHBondContact O-CB 3.46Å; G666-L724 PolarHBondContact O-N 3.25Å; T667-L724 HydrophobicContact CG2-CB 3.7Å; T667-L724 HydrophobicContact CG2-CD1 4.16Å; F677-L724 HydrophobicContact CE2-CD1 3.98Å; F677-L724 HydrophobicContact CZ-CD1 4.06Å; M691-L724 HydrophobicContact CE-CD1 3.98Å; M695-L724 HydrophobicContact SD-CD1 4.41Å; L724-L748 HydrophobicContact CD2-CD1 4.42Å
725	L	92.4	Very high	91.6	Very high	8 Å²	8	37.2 Å²	37.2	4%	0.042	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	166.3	-174.8	74.4	159.6	0	0	0	112.2	S518 M520 T707 Y723 M729 N730	S518-L725 PolarHBondContact N-O 2.83Å; S518-L725 PolarHBondContact O-N 3.49Å; S518-L725 VanDerWaalsContact O-N 3.17Å; S518-L725 PolarHBondContact OG-O 2.83Å; M520-L725 HydrophobicContact CB-CD2 3.56Å; M520-L725 HydrophobicContact CE-CD1 4.03Å; M520-L725 HydrophobicContact CE-CD2 4.05Å; T707-L725 HydrophobicContact CG2-CD1 4.38Å; Y723-L725 HydrophobicContact CD1-CB 4.29Å; Y723-L725 HydrophobicContact CD1-CD1 4.45Å; Y723-L725 HydrophobicContact CD1-CD2 3.88Å; Y723-L725 HydrophobicContact CD1-CG 4.43Å; Y723-L725 HydrophobicContact CE1-CB 4.05Å; Y723-L725 HydrophobicContact CE1-CD1 4.38Å; Y723-L725 HydrophobicContact CE1-CD2 4.45Å; Y723-L725 WeakPolarHBondContact O-CD2 3.15Å; L725-M729 HydrophobicContact CD1-CB 3.97Å; L725-M729 HydrophobicContact CD1-CG 3.84Å; L725-N730 HydrophobicContact CD1-CB 4.34Å; L725-N730 HydrophobicContact CD2-CB 4.15Å; L725-N730 HydrophobicContact CG-CB 4.17Å
726	E	91.8	Very high	91.4	Very high	21 Å²	21	36.6 Å²	36.6	10%	0.098	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	136.3	178.3	-69.3	179.5	148.5	0	0	111.8	T497 L515 G516 T728 M729 N730 Y753	T497-E726 VanDerWaalsContact CG2-OE1 3.3Å; T497-E726 WeakPolarHBondContact CG2-OE1 3.29Å; T497-E726 PolarHBondContact OG1-OE1 2.96Å; L515-E726 HydrophobicContact CD1-CB 4.03Å; L515-E726 HydrophobicContact CD1-CG 3.79Å; G516-E726 CarbonylContact O-C 3.57Å; G516-E726 WeakPolarHBondContact O-CA 3.45Å; E726-T728 VanDerWaalsContact C-N 3.27Å; E726-T728 PolarHBondContact O-N 2.92Å; E726-M729 PolarHBondContact O-N 2.94Å; E726-N730 PolarHBondContact O-N 3.2Å; E726-N730 VanDerWaalsContact O-N 3.16Å; E726-Y753 VanDerWaalsContact OE2-CE1 3.24Å; E726-Y753 WeakPolarHBondContact OE2-CE1 3.4Å; E726-Y753 PolarHBondContact OE2-OH 3.03Å
727	S	93.2	Very high	91.1	Very high	3 Å²	3	35.8 Å²	35.8	2%	0.021	17%	0.17	C	C	.	.	H	α-helix	trans	-60.6	-33.5	-167.1	66	0	0	0	0	114.3	G516 S518 M729 N730 E731 N747	G516-S727 PolarHBondContact N-OG 3.02Å; G516-S727 WeakPolarHBondContact O-CB 3.3Å; G516-S727 PolarHBondContact O-N 3.25Å; S518-S727 WeakPolarHBondContact OG-CA 3.14Å; S727-M729 VanDerWaalsContact C-N 3.33Å; S727-M729 PolarHBondContact O-N 2.85Å; S727-N730 PolarHBondContact O-N 3.11Å; S727-E731 WeakPolarHBondContact O-CB 3.29Å; S727-E731 VanDerWaalsContact O-CG 3.26Å; S727-E731 WeakPolarHBondContact O-CG 3.44Å; S727-E731 PolarHBondContact O-N 3.02Å; S727-N747 VanDerWaalsContact CB-OD1 3.32Å; S727-N747 WeakPolarHBondContact CB-OD1 3.43Å; S727-N747 PolarHBondContact OG-ND2 2.8Å; S727-N747 VanDerWaalsContact OG-ND2 3.14Å
728	T	91.8	Very high	91.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-57.6	-43.7	174.3	46.4	0	0	0	0	111.9	Y422 M513 L515 E726 Y732 Y753 W788	Y422-T728 VanDerWaalsContact OH-CB 3.26Å; Y422-T728 WeakPolarHBondContact OH-CB 3.29Å; Y422-T728 PolarHBondContact OH-OG1 2.92Å; M513-T728 HydrophobicContact CG-CG2 4.04Å; M513-T728 HydrophobicContact SD-CG2 3.48Å; M513-T728 WeakPolarHBondContact SD-CG2 3.39Å; L515-T728 HydrophobicContact CB-CG2 3.86Å; L515-T728 HydrophobicContact CD2-CG2 4.36Å; E726-T728 VanDerWaalsContact C-N 3.27Å; E726-T728 PolarHBondContact O-N 2.92Å; T728-Y732 WeakPolarHBondContact O-CB 3.24Å; T728-Y732 PolarHBondContact O-N 2.87Å; T728-Y732 VanDerWaalsContact O-N 3.07Å; T728-Y753 PolarHBondContact OG1-OH 2.99Å; T728-W788 PolarHBondContact O-NE1 3.14Å
729	M	91.3	Very high	91.1	Very high	19 Å²	19	31.1 Å²	31.1	9%	0.094	16%	0.159	C	C	.	.	H	α-helix	trans	-78.6	-28.4	179	-174.5	53.2	160.2	0	0	112.2	E419 T707 L725 E726 S727 Y732 I733	E419-M729 HydrophobicContact CG-CE 4.26Å; T707-M729 HydrophobicContact CG2-CE 3.81Å; T707-M729 HydrophobicContact CG2-CG 3.89Å; L725-M729 HydrophobicContact CD1-CB 3.97Å; L725-M729 HydrophobicContact CD1-CG 3.84Å; E726-M729 PolarHBondContact O-N 2.94Å; S727-M729 VanDerWaalsContact C-N 3.33Å; S727-M729 PolarHBondContact O-N 2.85Å; M729-Y732 PolarHBondContact O-N 3.11Å; M729-Y732 HydrophobicContact SD-CD1 3.76Å; M729-Y732 HydrophobicContact SD-CG 4.48Å; M729-I733 HydrophobicContact CE-CD1 4.25Å; M729-I733 HydrophobicContact CE-CG1 4.35Å; M729-I733 VanDerWaalsContact O-CG1 3.25Å; M729-I733 WeakPolarHBondContact O-CG1 3.42Å; M729-I733 PolarHBondContact O-N 2.95Å; M729-I733 HydrophobicContact SD-CG1 4.12Å
730	N	92.8	Very high	91.2	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-66.5	-51	171.3	-163.2	0.5	0	0	0	111.2	S518 I519 M520 L725 E726 S727 Y732 I733 E734	S518-N730 WeakPolarHBondContact OG-CB 3.45Å; S518-N730 PolarHBondContact OG-ND2 2.66Å; I519-N730 VanDerWaalsContact C-ND2 3.32Å; I519-N730 PolarHBondContact O-ND2 3.41Å; M520-N730 WeakPolarHBondContact CB-OD1 3.38Å; M520-N730 HydrophobicContact CE-CB 4.4Å; M520-N730 VanDerWaalsContact CE-OD1 3.29Å; M520-N730 WeakPolarHBondContact CE-OD1 3.49Å; L725-N730 HydrophobicContact CD1-CB 4.34Å; L725-N730 HydrophobicContact CD2-CB 4.15Å; L725-N730 HydrophobicContact CG-CB 4.17Å; E726-N730 PolarHBondContact O-N 3.2Å; E726-N730 VanDerWaalsContact O-N 3.16Å; S727-N730 PolarHBondContact O-N 3.11Å; N730-Y732 PolarHBondContact O-N 3.42Å; N730-I733 PolarHBondContact O-N 2.87Å; N730-E734 PolarHBondContact O-N 2.99Å
731	E	91.3	Very high	91.2	Very high	35 Å²	35	25.9 Å²	25.9	16%	0.164	13%	0.131	C	C	.	.	H	α-helix	trans	-54.9	-36.9	173.1	-75.2	156.3	-142.4	0	0	111.8	S727 Q735 K743 K784	S727-E731 WeakPolarHBondContact O-CB 3.29Å; S727-E731 VanDerWaalsContact O-CG 3.26Å; S727-E731 WeakPolarHBondContact O-CG 3.44Å; S727-E731 PolarHBondContact O-N 3.02Å; E731-Q735 WeakPolarHBondContact O-CG 3.46Å; E731-K743 HydrophobicContact CG-CD 4.26Å; E731-K743 IonicContact OE1-NZ 2.97Å; E731-K743 PolarHBondContact OE1-NZ 3.03Å; E731-K784 IonicContact OE2-NZ 2.66Å; E731-K784 PolarHBondContact OE2-NZ 2.82Å
732	Y	91.8	Very high	91	Very high	12 Å²	12	27.5 Å²	27.5	5%	0.047	14%	0.139	C	C	.	.	H	α-helix	trans	-68.6	-47	176.1	-179.4	-116.1	0	0	0	113.6	A420 P421 T728 M729 N730 E734 Q735 R736	A420-Y732 HydrophobicContact CB-CE1 3.89Å; A420-Y732 WeakPolarHBondContact O-CE1 3.48Å; P421-Y732 HydrophobicContact CB-CD2 4.09Å; P421-Y732 HydrophobicContact CB-CE2 3.52Å; P421-Y732 HydrophobicContact CG-CD2 3.63Å; P421-Y732 HydrophobicContact CG-CE2 3.62Å; P421-Y732 HydrophobicContact CG-CG 4.11Å; T728-Y732 WeakPolarHBondContact O-CB 3.24Å; T728-Y732 PolarHBondContact O-N 2.87Å; T728-Y732 VanDerWaalsContact O-N 3.07Å; M729-Y732 PolarHBondContact O-N 3.11Å; M729-Y732 HydrophobicContact SD-CD1 3.76Å; M729-Y732 HydrophobicContact SD-CG 4.48Å; N730-Y732 PolarHBondContact O-N 3.42Å; Y732-E734 VanDerWaalsContact C-N 3.32Å; Y732-E734 PolarHBondContact O-N 3.38Å; Y732-Q735 PolarHBondContact O-N 2.84Å; Y732-Q735 VanDerWaalsContact O-N 3.12Å; Y732-R736 HydrophobicContact CE1-CG 4.35Å; Y732-R736 VanDerWaalsContact CE2-NH2 3.31Å; Y732-R736 VanDerWaalsContact CZ-NE 3.33Å; Y732-R736 PolarHBondContact OH-NE 3.29Å; Y732-R736 PolarHBondContact OH-NH2 2.92Å
733	I	91.9	Very high	90.8	Very high	22 Å²	22	30.1 Å²	30.1	11%	0.113	15%	0.15	C	C	.	.	H	α-helix	trans	-70.9	-29.9	-176	-67.6	-69.3	0	0	0	111.6	M520 V711 M729 N730 Q735 R736 T741	M520-I733 HydrophobicContact CE-CB 3.68Å; M520-I733 HydrophobicContact CE-CG1 4.29Å; M520-I733 HydrophobicContact CE-CG2 3.59Å; M520-I733 HydrophobicContact SD-CG2 4.28Å; V711-I733 HydrophobicContact CG1-CG2 3.7Å; V711-I733 HydrophobicContact CG2-CD1 4.35Å; V711-I733 HydrophobicContact CG2-CG1 4.14Å; V711-I733 HydrophobicContact CG2-CG2 4.03Å; M729-I733 HydrophobicContact CE-CD1 4.25Å; M729-I733 HydrophobicContact CE-CG1 4.35Å; M729-I733 VanDerWaalsContact O-CG1 3.25Å; M729-I733 WeakPolarHBondContact O-CG1 3.42Å; M729-I733 PolarHBondContact O-N 2.95Å; M729-I733 HydrophobicContact SD-CG1 4.12Å; N730-I733 PolarHBondContact O-N 2.87Å; I733-Q735 VanDerWaalsContact C-N 3.27Å; I733-Q735 PolarHBondContact O-N 2.68Å; I733-R736 PolarHBondContact O-N 2.74Å; I733-R736 VanDerWaalsContact O-N 3.16Å; I733-T741 HydrophobicContact CG2-CG2 4.39Å; I733-T741 PolarHBondContact O-OG1 3.03Å
734	E	90.5	Very high	90.6	Very high	53 Å²	53	30.4 Å²	30.4	25%	0.248	15%	0.152	C	C	.	.	H	α-helix	trans	-61.6	-32.2	169.3	-179.6	160.1	-176.7	0	0	112.9	N730 Y732 R736 M742 K743	N730-E734 PolarHBondContact O-N 2.99Å; Y732-E734 VanDerWaalsContact C-N 3.32Å; Y732-E734 PolarHBondContact O-N 3.38Å; E734-R736 VanDerWaalsContact C-N 3.28Å; E734-R736 PolarHBondContact O-N 2.8Å; E734-M742 WeakPolarHBondContact OE2-CA 3.43Å; E734-K743 PolarHBondContact OE2-N 2.84Å
735	Q	88.7	Confident	90.2	Very high	28 Å²	28	32.2 Å²	32.2	13%	0.131	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	2.8	175.6	-60.6	-61.6	-47.3	0	0	114	E731 Y732 I733 Y789 E793 C794	E731-Q735 WeakPolarHBondContact O-CG 3.46Å; Y732-Q735 PolarHBondContact O-N 2.84Å; Y732-Q735 VanDerWaalsContact O-N 3.12Å; I733-Q735 VanDerWaalsContact C-N 3.27Å; I733-Q735 PolarHBondContact O-N 2.68Å; Q735-Y789 HydrophobicContact CG-CD1 4.24Å; Q735-Y789 HydrophobicContact CG-CE1 4.49Å; Q735-E793 PolarHBondContact O-N 2.94Å; Q735-C794 VanDerWaalsContact C-SG 3.55Å; Q735-C794 PolarHBondContact O-N 2.74Å; Q735-C794 VanDerWaalsContact O-N 3.17Å; Q735-C794 PolarHBondContact OE1-O 3.35Å
736	R	88.4	Confident	90.1	Very high	44 Å²	44	34.7 Å²	34.7	17%	0.166	20%	0.198	C	C	.	.	S	Bend	trans	-110.6	142.9	-178.4	-70.3	-71.8	178.6	-136.7	-15.3	112.6	Y732 I733 E734 C739 K791 E793 C794	Y732-R736 HydrophobicContact CE1-CG 4.35Å; Y732-R736 VanDerWaalsContact CE2-NH2 3.31Å; Y732-R736 VanDerWaalsContact CZ-NE 3.33Å; Y732-R736 PolarHBondContact OH-NE 3.29Å; Y732-R736 PolarHBondContact OH-NH2 2.92Å; I733-R736 PolarHBondContact O-N 2.74Å; I733-R736 VanDerWaalsContact O-N 3.16Å; E734-R736 VanDerWaalsContact C-N 3.28Å; E734-R736 PolarHBondContact O-N 2.8Å; R736-C739 PolarHBondContact O-N 3.36Å; R736-K791 PolarHBondContact NH1-O 3.18Å; R736-K791 PolarHBondContact NH2-O 2.82Å; R736-E793 WeakPolarHBondContact CD-OE1 3.38Å; R736-E793 IonicContact CZ-OE1 2.84Å; R736-E793 IonicContact NE-OE1 3.52Å; R736-E793 IonicContact NH1-OE1 2.69Å; R736-E793 PolarHBondContact NH1-OE1 3.47Å; R736-C794 PolarHBondContact O-SG 2.95Å; R736-C794 VanDerWaalsContact O-SG 3.41Å
737	K	85.5	Confident	90	Very high	130 Å²	130	36.7 Å²	36.7	57%	0.565	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	144.8	179.3	-77.5	168.1	-174.6	156.9	0	111.8	R715 E793	R715-K737 PolarHBondContact NH1-O 3.22Å; R715-K737 PolarHBondContact NH2-O 2.93Å; K737-E793 HydrophobicContact CD-CB 4.13Å; K737-E793 WeakPolarHBondContact CD-OE2 3.25Å; K737-E793 WeakPolarHBondContact CE-O 3.34Å; K737-E793 HydrophobicContact CG-CB 3.98Å
738	P	89.1	Confident	89.7	Confident	88 Å²	88	38.5 Å²	38.5	57%	0.571	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	cis	-91.7	28.9	5.4	38.4	-35.4	0	0	0	114.3	D740	P738-D740 HydrophobicContact CG-CB 4.14Å; P738-D740 PolarHBondContact O-N 3.39Å
739	C	87.7	Confident	89.5	Confident	45 Å²	45	39.9 Å²	39.9	30%	0.304	23%	0.226	S	C	.	.			trans	61.6	28.7	176.1	-36.7	0	0	0	0	113.8	R736 C794	R736-C739 PolarHBondContact O-N 3.36Å; C739-C794 VanDerWaalsContact CA-SG 3.5Å; C739-C794 HydrophobicContact CB-CB 3.88Å; C739-C794 WeakPolarHBondContact CB-SG 3.38Å; C739-C794 WeakPolarHBondContact SG-CB 3.25Å; C739-C794 CovalentContact SG-SG 2.03Å; C739-C794 PolarHBondContact SG-SG 3.08Å
740	D	88.8	Confident	89.3	Confident	28 Å²	28	44.4 Å²	44.4	15%	0.15	26%	0.26	C	S	.	.			trans	-101.6	8.9	-171.4	74.9	-33.2	0	0	0	114.3	K522 K523 R715 P738	K522-D740 CarbonylContact C-O 3.6Å; K522-D740 WeakPolarHBondContact CA-O 3.49Å; K522-D740 VanDerWaalsContact CE-OD2 3.3Å; K522-D740 WeakPolarHBondContact CE-OD2 3.4Å; K522-D740 WeakPolarHBondContact CG-O 3.21Å; K522-D740 IonicContact NZ-OD2 2.74Å; K522-D740 PolarHBondContact NZ-OD2 2.79Å; K523-D740 PolarHBondContact N-O 3.42Å; R715-D740 WeakPolarHBondContact CD-OD1 3.16Å; R715-D740 WeakPolarHBondContact CG-OD2 3.48Å; R715-D740 IonicContact CZ-OD1 3.96Å; R715-D740 IonicContact NE-OD1 3.94Å; R715-D740 PolarHBondContact NE-OD1 3.01Å; R715-D740 IonicContact NE-OD2 3.55Å; R715-D740 IonicContact NH2-OD1 3.19Å; R715-D740 PolarHBondContact NH2-OD1 3.3Å; P738-D740 HydrophobicContact CG-CB 4.14Å; P738-D740 PolarHBondContact O-N 3.39Å
741	T	90.9	Very high	89.1	Confident	0 Å²	0	46 Å²	46	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	152.2	173.6	45.9	0	0	0	0	109.9	M520 I521 V714 R715 I733	M520-T741 HydrophobicContact CG-CG2 4.11Å; M520-T741 HydrophobicContact SD-CG2 3.8Å; I521-T741 WeakPolarHBondContact O-CA 3.49Å; V714-T741 HydrophobicContact CG1-CG2 4.45Å; R715-T741 HydrophobicContact CG-CG2 4.13Å; I733-T741 HydrophobicContact CG2-CG2 4.39Å; I733-T741 PolarHBondContact O-OG1 3.03Å
742	M	88.8	Confident	89.1	Confident	39 Å²	39	44.7 Å²	44.7	19%	0.192	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	148.5	171.9	64.2	-175.4	-73.2	0	0	111.9	I521 K523 P524 E734 V744	I521-M742 HydrophobicContact CD1-CG 4.22Å; I521-M742 HydrophobicContact CD1-SD 4.3Å; I521-M742 HydrophobicContact CG1-CG 3.69Å; I521-M742 HydrophobicContact CG1-SD 4.4Å; I521-M742 PolarHBondContact N-O 3.45Å; I521-M742 VanDerWaalsContact N-O 3.12Å; I521-M742 PolarHBondContact O-N 3.37Å; K523-M742 HydrophobicContact CB-CB 4.4Å; K523-M742 HydrophobicContact CB-CG 4.28Å; K523-M742 HydrophobicContact CB-SD 4.25Å; K523-M742 HydrophobicContact CG-SD 3.99Å; P524-M742 VanDerWaalsContact CD-SD 3.54Å; E734-M742 WeakPolarHBondContact OE2-CA 3.43Å; M742-V744 HydrophobicContact CE-CG1 3.81Å; M742-V744 HydrophobicContact CG-CG1 4.34Å
743	K	91.1	Very high	89.3	Confident	54 Å²	54	44.2 Å²	44.2	24%	0.235	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	134.2	165.3	-174.1	177.6	-177.7	-175	0	110	I519 E731 E734 N747	I519-K743 WeakPolarHBondContact O-CA 3.42Å; E731-K743 HydrophobicContact CG-CD 4.26Å; E731-K743 IonicContact OE1-NZ 2.97Å; E731-K743 PolarHBondContact OE1-NZ 3.03Å; E734-K743 PolarHBondContact OE2-N 2.84Å; K743-N747 WeakPolarHBondContact CE-OD1 3.36Å; K743-N747 PolarHBondContact NZ-OD1 3.41Å
744	V	89.8	Confident	89.4	Confident	9 Å²	9	43.1 Å²	43.1	6%	0.055	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	147	168.4	-68.5	0	0	0	0	111.6	I519 I521 I651 M742	I519-V744 HydrophobicContact CB-CG2 3.72Å; I519-V744 HydrophobicContact CD1-CG2 4.36Å; I519-V744 HydrophobicContact CG2-CG2 3.64Å; I519-V744 PolarHBondContact O-N 3.35Å; I519-V744 VanDerWaalsContact O-N 3.08Å; I521-V744 HydrophobicContact CD1-CG1 3.59Å; I521-V744 HydrophobicContact CD1-CG2 4.25Å; I521-V744 HydrophobicContact CG1-CG1 3.88Å; I521-V744 HydrophobicContact CG1-CG2 4.18Å; I521-V744 HydrophobicContact CG2-CG2 4.01Å; I651-V744 HydrophobicContact CG2-CG2 4.23Å; M742-V744 HydrophobicContact CE-CG1 3.81Å; M742-V744 HydrophobicContact CG-CG1 4.34Å
745	G	87.6	Confident	89.7	Confident	39 Å²	39	40.7 Å²	40.7	40%	0.402	24%	0.244	S	C	.	.	S	Bend	trans	72.1	176.3	-177.1	0	0	0	0	0	114.7	E652	E652-G745 WeakPolarHBondContact O-CA 3.39Å; E652-G745 PolarHBondContact O-N 2.85Å
746	G	89	Confident	90	Very high	59 Å²	59	39.3 Å²	39.3	61%	0.608	24%	0.238	S	C	*	.	S	Bend	trans	-72.3	172.1	165.3	0	0	0	0	0	112.1
747	N	90.6	Very high	90.4	Very high	63 Å²	63	37.4 Å²	37.4	34%	0.337	23%	0.23	S	C	.	.			trans	-69.1	139.9	168.5	-68.6	7.9	0	0	0	109.6	G516 I517 S727 K743	G516-N747 PolarHBondContact N-ND2 2.78Å; I517-N747 CarbonylContact O-C 3.1Å; I517-N747 WeakPolarHBondContact O-CA 3.24Å; S727-N747 VanDerWaalsContact CB-OD1 3.32Å; S727-N747 WeakPolarHBondContact CB-OD1 3.43Å; S727-N747 PolarHBondContact OG-ND2 2.8Å; S727-N747 VanDerWaalsContact OG-ND2 3.14Å; K743-N747 WeakPolarHBondContact CE-OD1 3.36Å; K743-N747 PolarHBondContact NZ-OD1 3.41Å
748	L	87.4	Confident	90.7	Very high	41 Å²	41	32.7 Å²	32.7	22%	0.215	21%	0.213	C	C	.	.	S	Bend	trans	-80.9	-17.9	-175.5	-62.5	168.2	0	0	0	113.8	I517 A654 F688 L724	I517-L748 HydrophobicContact CB-CB 4.33Å; I517-L748 HydrophobicContact CB-CD1 4.37Å; I517-L748 HydrophobicContact CG2-CD1 4.06Å; I517-L748 PolarHBondContact O-N 3.48Å; A654-L748 HydrophobicContact CB-CD1 4.15Å; A654-L748 HydrophobicContact CB-CD2 3.45Å; A654-L748 VanDerWaalsContact CB-CD2 3.45Å; A654-L748 HydrophobicContact CB-CG 4.44Å; F688-L748 HydrophobicContact CE1-CD2 4.27Å; F688-L748 HydrophobicContact CZ-CB 4.33Å; F688-L748 HydrophobicContact CZ-CD2 4.39Å; L724-L748 HydrophobicContact CD2-CD1 4.42Å
749	D	86.5	Confident	90.6	Very high	29 Å²	29	35 Å²	35	16%	0.155	22%	0.215	C	C	.	.	S	Bend	trans	-147.2	173.2	175.8	60.1	7.6	0	0	0	110.7	G516 I517 F676 K751	G516-D749 WeakPolarHBondContact CA-O 3.23Å; G516-D749 WeakPolarHBondContact CA-OD1 3.38Å; I517-D749 WeakPolarHBondContact CD1-OD2 3.48Å; I517-D749 PolarHBondContact N-OD1 3.16Å; F676-D749 HydrophobicContact CE2-CB 4.19Å; F676-D749 HydrophobicContact CZ-CB 4.25Å; D749-K751 WeakPolarHBondContact OD2-CD 3.26Å; D749-K751 WeakPolarHBondContact OD2-CE 3.44Å; D749-K751 IonicContact OD2-NZ 3.49Å; D749-K751 PolarHBondContact OD2-NZ 3.31Å
750	S	86.8	Confident	90.4	Very high	115 Å²	115	36.2 Å²	36.2	80%	0.804	23%	0.234	S	C	*	.			trans	-114.6	118.6	172.8	-171.4	0	0	0	0	109.1
751	K	88.9	Confident	90.3	Very high	33 Å²	33	36.4 Å²	36.4	14%	0.143	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	170.5	-175.6	-84.8	167.5	169.7	154	0	109.4	T497 S514 L515 D749	T497-K751 HydrophobicContact CG2-CB 4.18Å; T497-K751 HydrophobicContact CG2-CD 3.87Å; T497-K751 HydrophobicContact CG2-CG 4.11Å; S514-K751 WeakPolarHBondContact CA-O 3.34Å; L515-K751 HydrophobicContact CD1-CB 3.63Å; L515-K751 HydrophobicContact CD1-CD 4.39Å; L515-K751 HydrophobicContact CG-CB 4.14Å; L515-K751 PolarHBondContact N-O 3.08Å; L515-K751 CarbonylContact O-C 3.25Å; L515-K751 WeakPolarHBondContact O-CA 3.22Å; L515-K751 PolarHBondContact O-N 2.95Å; D749-K751 WeakPolarHBondContact OD2-CD 3.26Å; D749-K751 WeakPolarHBondContact OD2-CE 3.44Å; D749-K751 IonicContact OD2-NZ 3.49Å; D749-K751 PolarHBondContact OD2-NZ 3.31Å
752	G	92.3	Very high	90.1	Very high	7 Å²	7	41.7 Å²	41.7	7%	0.072	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	158.9	167.4	0	0	0	0	0	112.5	I498 M513	I498-G752 PolarHBondContact N-O 3.17Å; M513-G752 CarbonylContact O-C 3.58Å; M513-G752 WeakPolarHBondContact O-CA 3.32Å
753	Y	94.8	Very high	90	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.008	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	133.2	163.6	-59.6	-43.3	0	0	0	109.6	Y422 P495 P511 F512 M513 L515 E726 T728	Y422-Y753 HydrophobicContact CE1-CD2 4.37Å; Y422-Y753 AromaticContact CE1-CE2 3.8Å; Y422-Y753 HydrophobicContact CE1-CE2 3.8Å; Y422-Y753 AromaticContact CZ-CE2 3.79Å; Y422-Y753 WeakPolarHBondContact OH-CE2 3.4Å; Y422-Y753 PolarHBondContact OH-OH 3.4Å; P495-Y753 VanDerWaalsContact C-CD1 3.41Å; P495-Y753 HydrophobicContact CB-CD1 4.21Å; P495-Y753 HydrophobicContact CB-CD2 4.1Å; P495-Y753 HydrophobicContact CB-CE1 3.8Å; P495-Y753 HydrophobicContact CB-CE2 3.68Å; P495-Y753 HydrophobicContact CB-CG 4.36Å; P511-Y753 CarbonylContact C-O 3.57Å; P511-Y753 WeakPolarHBondContact CA-O 3.33Å; P511-Y753 WeakPolarHBondContact CB-O 3.33Å; F512-Y753 VanDerWaalsContact CD1-O 3.3Å; F512-Y753 WeakPolarHBondContact CD1-O 3.37Å; F512-Y753 HydrophobicContact CE2-CD2 4.29Å; F512-Y753 HydrophobicContact CZ-CD2 4.2Å; F512-Y753 HydrophobicContact CZ-CG 4.18Å; F512-Y753 PolarHBondContact N-O 3.07Å; M513-Y753 HydrophobicContact CB-CD2 4.36Å; M513-Y753 PolarHBondContact O-N 3.5Å; M513-Y753 HydrophobicContact SD-CD2 4.44Å; L515-Y753 HydrophobicContact CD2-CD1 3.61Å; L515-Y753 HydrophobicContact CD2-CD2 3.56Å; L515-Y753 HydrophobicContact CD2-CE1 3.47Å; L515-Y753 VanDerWaalsContact CD2-CE1 3.47Å; L515-Y753 HydrophobicContact CD2-CE2 3.42Å; L515-Y753 VanDerWaalsContact CD2-CE2 3.42Å; L515-Y753 HydrophobicContact CD2-CG 3.65Å; E726-Y753 VanDerWaalsContact OE2-CE1 3.24Å; E726-Y753 WeakPolarHBondContact OE2-CE1 3.4Å; E726-Y753 PolarHBondContact OE2-OH 3.03Å; T728-Y753 PolarHBondContact OG1-OH 2.99Å
754	G	94.8	Very high	89.9	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	28%	0.277	C	S	.	.			trans	-121.2	152.6	171.8	0	0	0	0	0	110.1	L496	L496-G754 PolarHBondContact O-N 3.47Å
755	I	96.3	Very high	89.9	Confident	1 Å²	1	47.8 Å²	47.8	1%	0.005	30%	0.304	C	S	.	.			trans	-75.3	133.4	168.8	-57.7	162.8	0	0	0	106.9	I449 I491 A492 V493 F508 S509 F512 V767 V771	I449-I755 HydrophobicContact CD1-CD1 3.42Å; I449-I755 VanDerWaalsContact CD1-CD1 3.42Å; I449-I755 HydrophobicContact CD1-CG1 4.44Å; I449-I755 HydrophobicContact CG1-CD1 4.26Å; I491-I755 HydrophobicContact CD1-CG2 3.75Å; I491-I755 HydrophobicContact CG1-CG2 3.68Å; A492-I755 WeakPolarHBondContact O-CG2 3.35Å; V493-I755 HydrophobicContact CG2-CG2 4.05Å; F508-I755 CarbonylContact C-O 3.55Å; F508-I755 WeakPolarHBondContact CA-O 3.44Å; S509-I755 PolarHBondContact N-O 3.4Å; S509-I755 PolarHBondContact OG-N 3.1Å; F512-I755 HydrophobicContact CD1-CG1 4.06Å; F512-I755 HydrophobicContact CE1-CG1 4.31Å; I755-V767 HydrophobicContact CB-CG1 4.14Å; I755-V767 HydrophobicContact CD1-CG1 3.65Å; I755-V767 HydrophobicContact CG2-CG1 3.89Å; I755-V771 HydrophobicContact CD1-CG2 3.37Å; I755-V771 HydrophobicContact CG1-CG2 4.44Å
756	A	95.9	Very high	90	Very high	0 Å²	0	48 Å²	48	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	145.7	178.9	0	0	0	0	0	112.1	L484 I491 A492 L496 I506 D507 F508	L484-A756 HydrophobicContact CD1-CB 3.51Å; I491-A756 WeakPolarHBondContact CA-O 3.49Å; I491-A756 WeakPolarHBondContact CG1-O 3.29Å; A492-A756 HydrophobicContact CB-CB 4.32Å; A492-A756 PolarHBondContact N-O 3.08Å; A492-A756 PolarHBondContact O-N 3.32Å; L496-A756 HydrophobicContact CD2-CB 3.81Å; I506-A756 HydrophobicContact CD1-CB 3.82Å; D507-A756 WeakPolarHBondContact O-CA 3.46Å; F508-A756 HydrophobicContact CD1-CB 4.04Å; F508-A756 HydrophobicContact CE1-CB 3.91Å; F508-A756 HydrophobicContact CZ-CB 4.44Å
757	T	95.1	Very high	90.2	Very high	3 Å²	3	45.4 Å²	45.4	2%	0.018	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	154.4	175	49.7	0	0	0	0	109.8	I491 D507 L763	I491-T757 HydrophobicContact CD1-CG2 4.34Å; I491-T757 HydrophobicContact CG1-CG2 3.98Å; D507-T757 PolarHBondContact N-O 2.86Å; D507-T757 PolarHBondContact O-N 2.89Å; D507-T757 PolarHBondContact O-OG1 2.75Å; D507-T757 VanDerWaalsContact O-OG1 3.09Å; T757-L763 HydrophobicContact CG2-CB 4.35Å
758	P	92.9	Very high	90.3	Very high	32 Å²	32	44.2 Å²	44.2	21%	0.208	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	141.2	169.1	-23.2	34.6	0	0	0	110.3	L484 D490 G760 S761	L484-P758 HydrophobicContact CB-CG 4.37Å; L484-P758 HydrophobicContact CD2-CG 4.31Å; D490-P758 WeakPolarHBondContact O-CD 3.4Å; P758-G760 PolarHBondContact O-N 3Å; P758-S761 WeakPolarHBondContact O-CB 3.41Å; P758-S761 PolarHBondContact O-N 3.29Å
759	K	87.9	Confident	90.6	Very high	137 Å²	137	47.9 Å²	47.9	60%	0.596	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	124.7	-172.8	-164.5	173.5	-173.6	177.3	0	111.2	E504	E504-K759 PolarHBondContact O-NZ 2.87Å
760	G	83.5	Confident	90.9	Very high	69 Å²	69	46.8 Å²	46.8	71%	0.711	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.8	8.7	-175.2	0	0	0	0	0	115.8	D507 P758	D507-G760 PolarHBondContact OD2-N 3.13Å; P758-G760 PolarHBondContact O-N 3Å
761	S	86.5	Confident	91.3	Very high	32 Å²	32	41.5 Å²	41.5	22%	0.224	25%	0.245	C	C	.	.			trans	-62.4	137.4	176.4	178.4	0	0	0	0	112.6	P758 L763 R764	P758-S761 WeakPolarHBondContact O-CB 3.41Å; P758-S761 PolarHBondContact O-N 3.29Å; S761-L763 PolarHBondContact O-N 2.91Å; S761-L763 PolarHBondContact OG-N 3.36Å; S761-R764 VanDerWaalsContact O-CB 3.26Å; S761-R764 WeakPolarHBondContact O-CB 3.4Å; S761-R764 PolarHBondContact O-N 3.49Å; S761-R764 VanDerWaalsContact O-N 3.17Å
762	S	86.5	Confident	91.5	Very high	111 Å²	111	42.9 Å²	42.9	78%	0.776	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-28.1	176	53.2	0	0	0	0	113.2	R764	S762-R764 PolarHBondContact O-N 2.84Å
763	L	87	Confident	91.6	Very high	32 Å²	32	47.5 Å²	47.5	17%	0.168	27%	0.272	C	S	.	.	H	α-helix	trans	-62.8	-28.6	177.4	-65.4	177.1	0	0	0	112.6	V412 F455 T757 S761 N765 A766 V767	V412-L763 HydrophobicContact CG1-CD1 4.15Å; F455-L763 HydrophobicContact CD1-CD2 4.48Å; T757-L763 HydrophobicContact CG2-CB 4.35Å; S761-L763 PolarHBondContact O-N 2.91Å; S761-L763 PolarHBondContact OG-N 3.36Å; L763-N765 VanDerWaalsContact C-N 3.33Å; L763-N765 PolarHBondContact O-N 2.94Å; L763-A766 PolarHBondContact O-N 2.82Å; L763-V767 HydrophobicContact CB-CG2 4.39Å; L763-V767 WeakPolarHBondContact O-CB 3.22Å; L763-V767 VanDerWaalsContact O-CG2 3.29Å; L763-V767 WeakPolarHBondContact O-CG2 3.44Å; L763-V767 PolarHBondContact O-N 2.87Å
764	R	88.4	Confident	91.6	Very high	85 Å²	85	47.5 Å²	47.5	32%	0.321	27%	0.272	S	S	.	.	H	α-helix	trans	-49.5	-50.6	-173.8	-176.2	-166.9	-177.7	162	7.8	112.4	D507 S761 S762 N768	D507-R764 HydrophobicContact CB-CG 4.24Å; D507-R764 IonicContact OD1-CZ 2.76Å; D507-R764 IonicContact OD1-NH1 2.77Å; D507-R764 PolarHBondContact OD1-NH1 3.27Å; D507-R764 IonicContact OD1-NH2 2.94Å; D507-R764 PolarHBondContact OD1-NH2 3.36Å; D507-R764 IonicContact OD2-CZ 2.66Å; D507-R764 IonicContact OD2-NE 2.6Å; D507-R764 IonicContact OD2-NH1 2.89Å; D507-R764 PolarHBondContact OD2-NH1 3.33Å; S761-R764 VanDerWaalsContact O-CB 3.26Å; S761-R764 WeakPolarHBondContact O-CB 3.4Å; S761-R764 PolarHBondContact O-N 3.49Å; S761-R764 VanDerWaalsContact O-N 3.17Å; S762-R764 PolarHBondContact O-N 2.84Å; R764-N768 WeakPolarHBondContact O-CB 3.42Å; R764-N768 PolarHBondContact O-N 3.3Å
765	N	88.8	Confident	91.5	Very high	113 Å²	113	51.6 Å²	51.6	60%	0.604	29%	0.294	S	S	*	.	H	α-helix	trans	-71.1	-42	-173.5	-70	-11.3	0	0	0	111.9	L763 N768 L769	L763-N765 VanDerWaalsContact C-N 3.33Å; L763-N765 PolarHBondContact O-N 2.94Å; N765-N768 PolarHBondContact O-N 2.84Å; N765-L769 WeakPolarHBondContact O-CG 3.21Å; N765-L769 PolarHBondContact O-N 2.86Å
766	A	89.9	Confident	91.4	Very high	45 Å²	45	59 Å²	59	37%	0.372	33%	0.328	S	S	.	.	H	α-helix	trans	-64.2	-47	177.4	0	0	0	0	0	111.6	L763 L769 A770	L763-A766 PolarHBondContact O-N 2.82Å; A766-L769 PolarHBondContact O-N 2.82Å; A766-A770 WeakPolarHBondContact O-CB 3.45Å; A766-A770 PolarHBondContact O-N 2.81Å
767	V	93	Very high	91.3	Very high	3 Å²	3	64.5 Å²	64.5	2%	0.018	35%	0.354	C	S	.	.	H	α-helix	trans	-63.2	-42.2	177.2	172.6	0	0	0	0	111.2	I449 I491 I755 L763 L769 A770 V771	I449-V767 HydrophobicContact CG2-CG1 4.44Å; I449-V767 HydrophobicContact CG2-CG2 4.08Å; I491-V767 HydrophobicContact CD1-CG1 4.33Å; I491-V767 HydrophobicContact CD1-CG2 3.79Å; I755-V767 HydrophobicContact CB-CG1 4.14Å; I755-V767 HydrophobicContact CD1-CG1 3.65Å; I755-V767 HydrophobicContact CG2-CG1 3.89Å; L763-V767 HydrophobicContact CB-CG2 4.39Å; L763-V767 WeakPolarHBondContact O-CB 3.22Å; L763-V767 VanDerWaalsContact O-CG2 3.29Å; L763-V767 WeakPolarHBondContact O-CG2 3.44Å; L763-V767 PolarHBondContact O-N 2.87Å; V767-L769 PolarHBondContact O-N 2.98Å; V767-A770 WeakPolarHBondContact O-CB 3.43Å; V767-A770 PolarHBondContact O-N 3.26Å; V767-V771 WeakPolarHBondContact O-CG2 3.41Å; V767-V771 PolarHBondContact O-N 2.86Å
768	N	93.6	Very high	91.2	Very high	38 Å²	38	65.8 Å²	65.8	20%	0.203	37%	0.367	C	S	.	.	H	α-helix	trans	-64.1	-40.2	178.9	-175.7	69.5	0	0	0	112.8	K510 R764 N765 L772	K510-N768 WeakPolarHBondContact CG-OD1 3.43Å; K510-N768 PolarHBondContact N-OD1 3.26Å; R764-N768 WeakPolarHBondContact O-CB 3.42Å; R764-N768 PolarHBondContact O-N 3.3Å; N765-N768 PolarHBondContact O-N 2.84Å; N768-L772 WeakPolarHBondContact O-CG 3.3Å; N768-L772 PolarHBondContact O-N 2.97Å
769	L	92.9	Very high	91.2	Very high	118 Å²	118	66.1 Å²	66.1	62%	0.618	37%	0.368	S	S	*	.	H	α-helix	trans	-68.7	-36.4	173	-69.6	170.9	0	0	0	112	N765 A766 V767 L772 K773	N765-L769 WeakPolarHBondContact O-CG 3.21Å; N765-L769 PolarHBondContact O-N 2.86Å; A766-L769 PolarHBondContact O-N 2.82Å; V767-L769 PolarHBondContact O-N 2.98Å; L769-L772 PolarHBondContact O-N 2.95Å; L769-K773 PolarHBondContact O-N 2.82Å; L769-K773 VanDerWaalsContact O-N 3.08Å
770	A	93.3	Very high	91.5	Very high	7 Å²	7	59.9 Å²	59.9	6%	0.058	34%	0.34	C	S	.	.	H	α-helix	trans	-62.1	-47.5	174.4	0	0	0	0	0	111.7	H452 A766 V767 L772 K773 L774	H452-A770 HydrophobicContact CB-CB 4Å; A766-A770 WeakPolarHBondContact O-CB 3.45Å; A766-A770 PolarHBondContact O-N 2.81Å; V767-A770 WeakPolarHBondContact O-CB 3.43Å; V767-A770 PolarHBondContact O-N 3.26Å; A770-L772 VanDerWaalsContact C-N 3.34Å; A770-L772 PolarHBondContact O-N 2.81Å; A770-K773 PolarHBondContact O-N 3.35Å; A770-L774 VanDerWaalsContact O-CG 3.3Å; A770-L774 WeakPolarHBondContact O-CG 3.45Å; A770-L774 PolarHBondContact O-N 2.86Å
771	V	94.8	Very high	91.9	Very high	3 Å²	3	61.2 Å²	61.2	2%	0.018	33%	0.331	C	S	.	.	H	α-helix	trans	-56.5	-46.3	177.1	171.5	0	0	0	0	111.9	F512 I755 V767 K773 L774 N775	F512-V771 HydrophobicContact CB-CG1 4Å; I755-V771 HydrophobicContact CD1-CG2 3.37Å; I755-V771 HydrophobicContact CG1-CG2 4.44Å; V767-V771 WeakPolarHBondContact O-CG2 3.41Å; V767-V771 PolarHBondContact O-N 2.86Å; V771-K773 PolarHBondContact O-N 3.28Å; V771-L774 PolarHBondContact O-N 3.2Å; V771-N775 WeakPolarHBondContact O-CB 3.45Å; V771-N775 PolarHBondContact O-N 3.02Å
772	L	94.1	Very high	92.3	Very high	63 Å²	63	66.7 Å²	66.7	33%	0.33	35%	0.351	S	S	.	.	H	α-helix	trans	-60.5	-45.9	178.2	-70.9	169.3	0	0	0	111.4	K510 N768 L769 A770 L774 N775 E776	K510-L772 HydrophobicContact CB-CD2 4.36Å; K510-L772 HydrophobicContact CG-CD2 4.29Å; N768-L772 WeakPolarHBondContact O-CG 3.3Å; N768-L772 PolarHBondContact O-N 2.97Å; L769-L772 PolarHBondContact O-N 2.95Å; A770-L772 VanDerWaalsContact C-N 3.34Å; A770-L772 PolarHBondContact O-N 2.81Å; L772-L774 PolarHBondContact O-N 2.98Å; L772-N775 WeakPolarHBondContact O-CB 3.17Å; L772-N775 PolarHBondContact O-N 3.28Å; L772-N775 VanDerWaalsContact O-N 3.16Å; L772-E776 WeakPolarHBondContact O-CG 3.39Å; L772-E776 PolarHBondContact O-N 2.96Å
773	K	93.8	Very high	92.7	Very high	104 Å²	104	62.2 Å²	62.2	45%	0.452	32%	0.318	S	S	.	.	H	α-helix	trans	-63.8	-38.3	177	-174.8	171.2	177.6	-179.8	0	113.1	L769 A770 V771 N775 Q777	L769-K773 PolarHBondContact O-N 2.82Å; L769-K773 VanDerWaalsContact O-N 3.08Å; A770-K773 PolarHBondContact O-N 3.35Å; V771-K773 PolarHBondContact O-N 3.28Å; K773-N775 VanDerWaalsContact C-N 3.29Å; K773-N775 PolarHBondContact O-N 2.73Å; K773-Q777 WeakPolarHBondContact O-CB 3.35Å; K773-Q777 WeakPolarHBondContact O-CG 3.44Å; K773-Q777 PolarHBondContact O-N 3.39Å; K773-Q777 VanDerWaalsContact O-N 3.07Å
774	L	94.5	Very high	92.9	Very high	1 Å²	1	62.6 Å²	62.6	1%	0.005	32%	0.319	C	S	.	.	H	α-helix	trans	-68	-29.9	175.4	-66.1	177.4	0	0	0	112.3	L445 E448 I449 A770 V771 L772 L779 L780	L445-L774 HydrophobicContact CD1-CD1 4Å; E448-L774 HydrophobicContact CB-CD1 4.2Å; E448-L774 HydrophobicContact CB-CD2 4.25Å; I449-L774 HydrophobicContact CG1-CD1 4.44Å; A770-L774 VanDerWaalsContact O-CG 3.3Å; A770-L774 WeakPolarHBondContact O-CG 3.45Å; A770-L774 PolarHBondContact O-N 2.86Å; V771-L774 PolarHBondContact O-N 3.2Å; L772-L774 PolarHBondContact O-N 2.98Å; L774-L779 HydrophobicContact CD2-CD2 3.77Å; L774-L779 PolarHBondContact O-N 3.5Å; L774-L780 HydrophobicContact CB-CD2 4.05Å; L774-L780 HydrophobicContact CB-CG 4.1Å; L774-L780 PolarHBondContact O-N 3.45Å
775	N	93.1	Very high	93.1	Very high	86 Å²	86	62 Å²	62	46%	0.46	32%	0.322	S	S	.	.	H	α-helix	trans	-73.5	-49.3	174	-166.3	60	0	0	0	111.6	V771 L772 K773 Q777 G778 L780	V771-N775 WeakPolarHBondContact O-CB 3.45Å; V771-N775 PolarHBondContact O-N 3.02Å; L772-N775 WeakPolarHBondContact O-CB 3.17Å; L772-N775 PolarHBondContact O-N 3.28Å; L772-N775 VanDerWaalsContact O-N 3.16Å; K773-N775 VanDerWaalsContact C-N 3.29Å; K773-N775 PolarHBondContact O-N 2.73Å; N775-Q777 PolarHBondContact O-N 3.23Å; N775-G778 PolarHBondContact O-N 3.47Å; N775-L780 HydrophobicContact CB-CD1 3.74Å
776	E	93.4	Very high	93.3	Very high	158 Å²	158	60.2 Å²	60.2	74%	0.738	31%	0.309	S	S	*	.	H	α-helix	trans	-59.1	-31.3	176.4	-72.4	167.4	-174.7	0	0	113	L772 G778	L772-E776 WeakPolarHBondContact O-CG 3.39Å; L772-E776 PolarHBondContact O-N 2.96Å; E776-G778 VanDerWaalsContact C-N 3.3Å
777	Q	93.9	Very high	93.5	Very high	115 Å²	115	58.3 Å²	58.3	54%	0.537	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-1.2	175.2	-70.7	178.4	-18.2	0	0	114.1	K773 N775 L779	K773-Q777 WeakPolarHBondContact O-CB 3.35Å; K773-Q777 WeakPolarHBondContact O-CG 3.44Å; K773-Q777 PolarHBondContact O-N 3.39Å; K773-Q777 VanDerWaalsContact O-N 3.07Å; N775-Q777 PolarHBondContact O-N 3.23Å; Q777-L779 PolarHBondContact O-N 3.43Å
778	G	93.1	Very high	93.4	Very high	29 Å²	29	58.2 Å²	58.2	30%	0.299	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.9	14.3	-176.1	0	0	0	0	0	114.4	N775 E776 D781 K782	N775-G778 PolarHBondContact O-N 3.47Å; E776-G778 VanDerWaalsContact C-N 3.3Å; G778-D781 PolarHBondContact O-N 3.15Å; G778-K782 PolarHBondContact O-N 3.46Å; G778-K782 VanDerWaalsContact O-N 3.11Å
779	L	93.9	Very high	93.1	Very high	40 Å²	40	61 Å²	61	21%	0.209	30%	0.299	C	S	.	.	H	α-helix	trans	-71.9	-33.7	-176.5	-160.5	75.6	0	0	0	111.3	E448 L774 Q777 D781 K782 L783	E448-L779 HydrophobicContact CB-CD2 4.43Å; E448-L779 HydrophobicContact CG-CD2 3.81Å; L774-L779 HydrophobicContact CD2-CD2 3.77Å; L774-L779 PolarHBondContact O-N 3.5Å; Q777-L779 PolarHBondContact O-N 3.43Å; L779-D781 PolarHBondContact O-N 3.08Å; L779-K782 HydrophobicContact CD1-CD 4.27Å; L779-K782 PolarHBondContact O-N 3.36Å; L779-L783 WeakPolarHBondContact O-CB 3.29Å; L779-L783 VanDerWaalsContact O-CG 3.31Å; L779-L783 WeakPolarHBondContact O-CG 3.32Å; L779-L783 PolarHBondContact O-N 2.93Å
780	L	93.3	Very high	92.9	Very high	5 Å²	5	61.3 Å²	61.3	3%	0.026	30%	0.302	C	S	.	.	H	α-helix	trans	-62.8	-40.6	176.8	-59.6	179.8	0	0	0	112	L445 F512 L774 N775 L783 K784	L445-L780 HydrophobicContact CD1-CD2 3.79Å; F512-L780 HydrophobicContact CB-CD1 4.08Å; L774-L780 HydrophobicContact CB-CD2 4.05Å; L774-L780 HydrophobicContact CB-CG 4.1Å; L774-L780 PolarHBondContact O-N 3.45Å; N775-L780 HydrophobicContact CB-CD1 3.74Å; L780-L783 PolarHBondContact O-N 3.06Å; L780-K784 PolarHBondContact O-N 2.88Å
781	D	92.3	Very high	92.4	Very high	97 Å²	97	64.8 Å²	64.8	52%	0.519	32%	0.316	S	S	.	.	H	α-helix	trans	-68.5	-42.3	174.2	-69.2	-46.3	0	0	0	111.9	G778 L779 L783 K784 N785	G778-D781 PolarHBondContact O-N 3.15Å; L779-D781 PolarHBondContact O-N 3.08Å; D781-L783 VanDerWaalsContact C-N 3.27Å; D781-L783 PolarHBondContact O-N 3.38Å; D781-K784 PolarHBondContact O-N 3.06Å; D781-K784 VanDerWaalsContact O-N 3.09Å; D781-N785 PolarHBondContact O-N 3.34Å
782	K	94.6	Very high	91.8	Very high	147 Å²	147	65.9 Å²	65.9	64%	0.639	33%	0.328	S	S	*	.	H	α-helix	trans	-58.5	-40.2	173.8	-171.8	178.5	-178.4	178.7	0	111.7	G778 L779 K786	G778-K782 PolarHBondContact O-N 3.46Å; G778-K782 VanDerWaalsContact O-N 3.11Å; L779-K782 HydrophobicContact CD1-CD 4.27Å; L779-K782 PolarHBondContact O-N 3.36Å; K782-K786 WeakPolarHBondContact O-CB 3.24Å; K782-K786 PolarHBondContact O-N 3.43Å; K782-K786 VanDerWaalsContact O-N 3.08Å
783	L	94.1	Very high	91.3	Very high	17 Å²	17	67 Å²	67	9%	0.089	33%	0.331	C	S	.	.	H	α-helix	trans	-70	-36.7	173.7	-70	176.6	0	0	0	112.2	Y441 D444 L779 L780 D781 K786 W787	Y441-L783 HydrophobicContact CD2-CB 3.77Å; Y441-L783 HydrophobicContact CE2-CB 3.47Å; Y441-L783 VanDerWaalsContact CE2-CB 3.47Å; D444-L783 HydrophobicContact CB-CD1 4.28Å; D444-L783 HydrophobicContact CB-CD2 3.74Å; D444-L783 WeakPolarHBondContact OD2-CD2 3.47Å; L779-L783 WeakPolarHBondContact O-CB 3.29Å; L779-L783 VanDerWaalsContact O-CG 3.31Å; L779-L783 WeakPolarHBondContact O-CG 3.32Å; L779-L783 PolarHBondContact O-N 2.93Å; L780-L783 PolarHBondContact O-N 3.06Å; D781-L783 VanDerWaalsContact C-N 3.27Å; D781-L783 PolarHBondContact O-N 3.38Å; L783-K786 HydrophobicContact CD2-CD 4.26Å; L783-W787 VanDerWaalsContact O-CD1 3.27Å; L783-W787 PolarHBondContact O-N 3.04Å
784	K	92.9	Very high	90.5	Very high	40 Å²	40	62.7 Å²	62.7	17%	0.174	32%	0.315	C	S	.	.	H	α-helix	trans	-61.4	-49	173.9	-170.1	-173.7	177.3	-172.6	0	109.8	M513 E731 L780 D781 K786 W787 W788	M513-K784 HydrophobicContact CE-CB 4.36Å; M513-K784 HydrophobicContact CE-CG 4.23Å; E731-K784 IonicContact OE2-NZ 2.66Å; E731-K784 PolarHBondContact OE2-NZ 2.82Å; L780-K784 PolarHBondContact O-N 2.88Å; D781-K784 PolarHBondContact O-N 3.06Å; D781-K784 VanDerWaalsContact O-N 3.09Å; K784-K786 PolarHBondContact O-N 3.27Å; K784-W787 PolarHBondContact O-N 3.07Å; K784-W788 HydrophobicContact CG-CD2 4.08Å; K784-W788 HydrophobicContact CG-CE3 3.92Å; K784-W788 HydrophobicContact CG-CG 4.39Å; K784-W788 HydrophobicContact CG-CZ3 4.47Å; K784-W788 WeakPolarHBondContact O-CB 3.27Å; K784-W788 PolarHBondContact O-N 3.07Å
785	N	92.1	Very high	88.9	Confident	72 Å²	72	66 Å²	66	39%	0.385	35%	0.348	S	S	.	.	H	α-helix	trans	-60.2	-46.1	-179.7	-66.4	-14.7	0	0	0	111.9	D781 W787 Y789 D790	D781-N785 PolarHBondContact O-N 3.34Å; N785-W787 VanDerWaalsContact C-N 3.28Å; N785-W787 PolarHBondContact O-N 3.03Å; N785-Y789 HydrophobicContact CB-CD2 4.45Å; N785-Y789 PolarHBondContact O-N 3.41Å; N785-Y789 WeakPolarHBondContact OD1-CD2 3.21Å; N785-D790 PolarHBondContact O-N 3.4Å
786	K	93.3	Very high	86.9	Confident	77 Å²	77	67.4 Å²	67.4	34%	0.335	37%	0.365	S	S	.	.	H	α-helix	trans	-51.5	-40.7	175.5	179.2	-175.8	174.4	-172	0	113.8	D444 K782 L783 K784 D790 K791	D444-K786 VanDerWaalsContact CG-NZ 3.34Å; D444-K786 IonicContact OD1-NZ 2.86Å; D444-K786 PolarHBondContact OD1-NZ 2.93Å; D444-K786 WeakPolarHBondContact OD2-CE 3.41Å; D444-K786 IonicContact OD2-NZ 2.76Å; D444-K786 PolarHBondContact OD2-NZ 2.92Å; K782-K786 WeakPolarHBondContact O-CB 3.24Å; K782-K786 PolarHBondContact O-N 3.43Å; K782-K786 VanDerWaalsContact O-N 3.08Å; L783-K786 HydrophobicContact CD2-CD 4.26Å; K784-K786 PolarHBondContact O-N 3.27Å; K786-D790 WeakPolarHBondContact CA-OD2 3.28Å; K786-D790 PolarHBondContact N-OD2 2.91Å; K786-K791 WeakPolarHBondContact O-CG 3.36Å
787	W	93.3	Very high	84.5	Confident	5 Å²	5	62.9 Å²	62.9	2%	0.019	36%	0.361	C	S	.	.	H	α-helix	trans	-101	-21.7	-171.3	-72.5	106.1	0	0	0	115	P421 M424 E439 G440 D444 L783 K784 N785 K791	P421-W787 HydrophobicContact CB-CB 4.25Å; P421-W787 HydrophobicContact CB-CE3 4.46Å; P421-W787 HydrophobicContact CG-CB 4.47Å; M424-W787 HydrophobicContact CE-CE3 3.93Å; M424-W787 HydrophobicContact CE-CZ3 3.52Å; E439-W787 HydrophobicContact CB-CH2 3.94Å; E439-W787 HydrophobicContact CG-CH2 4.02Å; E439-W787 HydrophobicContact CG-CZ3 4.34Å; E439-W787 VanDerWaalsContact OE2-CH2 3.3Å; E439-W787 WeakPolarHBondContact OE2-CH2 3.44Å; G440-W787 VanDerWaalsContact C-CE2 3.44Å; G440-W787 VanDerWaalsContact CA-CH2 3.48Å; G440-W787 VanDerWaalsContact N-CH2 3.25Å; D444-W787 PolarHBondContact OD2-NE1 2.96Å; L783-W787 VanDerWaalsContact O-CD1 3.27Å; L783-W787 PolarHBondContact O-N 3.04Å; K784-W787 PolarHBondContact O-N 3.07Å; N785-W787 VanDerWaalsContact C-N 3.28Å; N785-W787 PolarHBondContact O-N 3.03Å; W787-K791 HydrophobicContact CD2-CD 4.45Å; W787-K791 HydrophobicContact CE3-CD 3.73Å; W787-K791 HydrophobicContact CZ3-CD 3.79Å
788	W	91.3	Very high	81.8	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-99	-46.6	177.6	-83.6	-108.2	0	0	0	113.6	P421 Y422 Y441 M513 T728 K784	P421-W788 HydrophobicContact CG-CD2 4.11Å; P421-W788 HydrophobicContact CG-CE3 4.01Å; P421-W788 HydrophobicContact CG-CH2 3.64Å; P421-W788 HydrophobicContact CG-CZ2 3.72Å; P421-W788 HydrophobicContact CG-CZ3 3.79Å; Y422-W788 HydrophobicContact CD1-CH2 4.05Å; Y422-W788 AromaticContact CE1-CH2 3.55Å; Y422-W788 HydrophobicContact CE1-CH2 3.55Å; Y422-W788 AromaticContact CE1-CZ2 3.84Å; Y422-W788 HydrophobicContact CE1-CZ2 3.84Å; Y422-W788 AromaticContact CZ-CZ2 3.87Å; Y441-W788 HydrophobicContact CD2-CH2 4.45Å; Y441-W788 AromaticContact CD2-CZ3 3.7Å; Y441-W788 HydrophobicContact CD2-CZ3 3.7Å; Y441-W788 HydrophobicContact CE2-CZ3 4.46Å; Y441-W788 HydrophobicContact CG-CH2 4.32Å; Y441-W788 AromaticContact CG-CZ3 3.9Å; Y441-W788 HydrophobicContact CG-CZ3 3.9Å; M513-W788 HydrophobicContact CE-CH2 4.08Å; M513-W788 HydrophobicContact CE-CZ3 4.29Å; M513-W788 HydrophobicContact SD-CH2 4.37Å; M513-W788 HydrophobicContact SD-CZ2 4.49Å; T728-W788 PolarHBondContact O-NE1 3.14Å; K784-W788 HydrophobicContact CG-CD2 4.08Å; K784-W788 HydrophobicContact CG-CE3 3.92Å; K784-W788 HydrophobicContact CG-CG 4.39Å; K784-W788 HydrophobicContact CG-CZ3 4.47Å; K784-W788 WeakPolarHBondContact O-CB 3.27Å; K784-W788 PolarHBondContact O-N 3.07Å
789	Y	88.1	Confident	79.1	Confident	96 Å²	96	61.9 Å²	61.9	38%	0.376	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	-48.4	-168.2	-52.2	-54.1	0	0	0	112.2	Q735 N785 K791 G792	Q735-Y789 HydrophobicContact CG-CD1 4.24Å; Q735-Y789 HydrophobicContact CG-CE1 4.49Å; N785-Y789 HydrophobicContact CB-CD2 4.45Å; N785-Y789 PolarHBondContact O-N 3.41Å; N785-Y789 WeakPolarHBondContact OD1-CD2 3.21Å; Y789-K791 VanDerWaalsContact C-N 3.28Å; Y789-K791 PolarHBondContact O-N 3.42Å; Y789-G792 WeakPolarHBondContact O-CA 3.49Å; Y789-G792 PolarHBondContact O-N 3Å
790	D	87.5	Confident	76.7	Confident	125 Å²	125	66.5 Å²	66.5	67%	0.668	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-32.2	-178.9	-55.6	-14.7	0	0	0	112	N785 K786	N785-D790 PolarHBondContact O-N 3.4Å; K786-D790 WeakPolarHBondContact CA-OD2 3.28Å; K786-D790 PolarHBondContact N-OD2 2.91Å
791	K	83.6	Confident	74.1	Confident	80 Å²	80	70.7 Å²	70.7	35%	0.348	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	14.8	171.4	-77.2	-174.1	171.2	-171.6	0	113.1	E439 R736 K786 W787 Y789	E439-K791 IonicContact OE2-NZ 3.5Å; E439-K791 PolarHBondContact OE2-NZ 3.22Å; R736-K791 PolarHBondContact NH1-O 3.18Å; R736-K791 PolarHBondContact NH2-O 2.82Å; K786-K791 WeakPolarHBondContact O-CG 3.36Å; W787-K791 HydrophobicContact CD2-CD 4.45Å; W787-K791 HydrophobicContact CE3-CD 3.73Å; W787-K791 HydrophobicContact CZ3-CD 3.79Å; Y789-K791 VanDerWaalsContact C-N 3.28Å; Y789-K791 PolarHBondContact O-N 3.42Å
792	G	81.4	Confident	71.6	Confident	27 Å²	27	74.7 Å²	74.7	28%	0.278	45%	0.449	S	S	.	.			trans	-69.1	142.8	175.6	0	0	0	0	0	112.2	Y789	Y789-G792 WeakPolarHBondContact O-CA 3.49Å; Y789-G792 PolarHBondContact O-N 3Å
793	E	84.2	Confident	69.2	Low	85 Å²	85	76.4 Å²	76.4	40%	0.397	46%	0.459	S	S	.	.	S	Bend	trans	-100.2	-16	177.5	-73.9	167.5	-126.2	0	0	113.3	Q735 R736 K737	Q735-E793 PolarHBondContact O-N 2.94Å; R736-E793 WeakPolarHBondContact CD-OE1 3.38Å; R736-E793 IonicContact CZ-OE1 2.84Å; R736-E793 IonicContact NE-OE1 3.52Å; R736-E793 IonicContact NH1-OE1 2.69Å; R736-E793 PolarHBondContact NH1-OE1 3.47Å; K737-E793 HydrophobicContact CD-CB 4.13Å; K737-E793 WeakPolarHBondContact CD-OE2 3.25Å; K737-E793 WeakPolarHBondContact CE-O 3.34Å; K737-E793 HydrophobicContact CG-CB 3.98Å
794	C	77.3	Confident	66.9	Low	15 Å²	15	84.5 Å²	84.5	10%	0.101	49%	0.494	C	S	.	.	S	Bend	trans	-100.1	107.1	175	-60.4	0	0	0	0	107.9	Q735 R736 C739 S796	Q735-C794 VanDerWaalsContact C-SG 3.55Å; Q735-C794 PolarHBondContact O-N 2.74Å; Q735-C794 VanDerWaalsContact O-N 3.17Å; Q735-C794 PolarHBondContact OE1-O 3.35Å; R736-C794 PolarHBondContact O-SG 2.95Å; R736-C794 VanDerWaalsContact O-SG 3.41Å; C739-C794 VanDerWaalsContact CA-SG 3.5Å; C739-C794 HydrophobicContact CB-CB 3.88Å; C739-C794 WeakPolarHBondContact CB-SG 3.38Å; C739-C794 WeakPolarHBondContact SG-CB 3.25Å; C739-C794 CovalentContact SG-SG 2.03Å; C739-C794 PolarHBondContact SG-SG 3.08Å; C794-S796 PolarHBondContact O-N 3.01Å; C794-S796 VanDerWaalsContact O-N 3.12Å
795	G	59.9	Low	64.6	Low	69 Å²	69	88.8 Å²	88.8	71%	0.711	52%	0.523	S	S	*	.			trans	-60.4	116.9	-178.2	0	0	0	0	0	111.7	G797	G795-G797 PolarHBondContact O-N 2.83Å
796	S	51.3	Low	62.7	Low	116 Å²	116	89.9 Å²	89.9	81%	0.811	54%	0.537	S	S	*	.	S	Bend	trans	-73.7	75.4	173.7	-173.2	0	0	0	0	110.3	C794	C794-S796 PolarHBondContact O-N 3.01Å; C794-S796 VanDerWaalsContact O-N 3.12Å
797	G	44.1	Very low	61.1	Low	63 Å²	63	90.7 Å²	90.7	65%	0.649	56%	0.558	S	S	*	*	S	Bend	trans	121.2	144.8	-175.5	0	0	0	0	0	112.6	G795 G799	G795-G797 PolarHBondContact O-N 2.83Å; G797-G799 PolarHBondContact O-N 3.41Å
798	G	37.2	Very low	59.6	Low	49 Å²	49	95.5 Å²	95.5	51%	0.505	58%	0.583	S	S	.	*			trans	83.2	-4	162	0	0	0	0	0	118.5	D800 S801	G798-D800 PolarHBondContact O-N 3.25Å; G798-S801 PolarHBondContact O-N 3.31Å; G798-S801 VanDerWaalsContact O-N 3.12Å; G798-S801 PolarHBondContact O-OG 2.92Å
799	G	35	Very low	58.4	Low	75 Å²	75	98.4 Å²	98.4	77%	0.773	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.2	-36.9	171.3	0	0	0	0	0	113	G797	G797-G799 PolarHBondContact O-N 3.41Å
800	D	43.2	Very low	57.7	Low	136 Å²	136	99.9 Å²	99.9	73%	0.727	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.2	7.3	175.8	-73.3	-26.4	0	0	0	113.4	G798 K802	G798-D800 PolarHBondContact O-N 3.25Å; D800-K802 CarbonylContact O-C 3.07Å; D800-K802 PolarHBondContact O-N 3.25Å
801	S	38.6	Very low	56.9	Low	94 Å²	94	96 Å²	96	66%	0.657	60%	0.6	S	S	*	*			trans	-77.3	1.5	178.5	69.4	0	0	0	0	114.4	G798	G798-S801 PolarHBondContact O-N 3.31Å; G798-S801 VanDerWaalsContact O-N 3.12Å; G798-S801 PolarHBondContact O-OG 2.92Å
802	K	40.5	Very low	56.3	Low	180 Å²	180	93.3 Å²	93.3	78%	0.783	59%	0.589	S	S	*	*	S	Bend	trans	-87.9	97.9	152.2	-73	-168.3	176	-174.1	0	108	D800 K804	D800-K802 CarbonylContact O-C 3.07Å; D800-K802 PolarHBondContact O-N 3.25Å; K802-K804 VanDerWaalsContact C-N 3.28Å; K802-K804 PolarHBondContact O-N 2.9Å
803	E	44.7	Very low	56.1	Low	183 Å²	183	94.2 Å²	94.2	86%	0.855	59%	0.59	S	S	*	*			trans	-54.4	91.6	168	-67.4	-174.8	134.3	0	0	110	T805	E803-T805 VanDerWaalsContact C-N 3.32Å; E803-T805 PolarHBondContact O-N 3.38Å; E803-T805 VanDerWaalsContact O-N 3.09Å
804	K	44.9	Very low	55.9	Low	188 Å²	188	91 Å²	91	82%	0.817	58%	0.577	S	S	*	*			trans	-71.8	99	158.2	-68.9	-179.7	-177.3	174.9	0	105.3	K802 S806	K802-K804 VanDerWaalsContact C-N 3.28Å; K802-K804 PolarHBondContact O-N 2.9Å; K804-S806 PolarHBondContact O-N 3.26Å
805	T	44.8	Very low	56.2	Low	129 Å²	129	90.3 Å²	90.3	79%	0.791	57%	0.572	S	S	*	*			trans	-46.2	106	170.9	50.6	0	0	0	0	108.8	E803 A807	E803-T805 VanDerWaalsContact C-N 3.32Å; E803-T805 PolarHBondContact O-N 3.38Å; E803-T805 VanDerWaalsContact O-N 3.09Å; T805-A807 PolarHBondContact O-N 2.88Å
806	S	53.5	Low	57.5	Low	96 Å²	96	90.4 Å²	90.4	67%	0.671	56%	0.559	S	S	*	*			trans	-64.8	99	-168	-66.1	0	0	0	0	110.7	K804 L808	K804-S806 PolarHBondContact O-N 3.26Å; S806-L808 PolarHBondContact O-N 3.46Å
807	A	58.1	Low	59.2	Low	93 Å²	93	90.1 Å²	90.1	77%	0.769	54%	0.544	S	S	*	.			trans	-60.2	127.1	175.3	0	0	0	0	0	109.4	T805 S809	T805-A807 PolarHBondContact O-N 2.88Å; A807-S809 PolarHBondContact O-N 3.21Å
808	L	63	Low	61.3	Low	107 Å²	107	94.3 Å²	94.3	56%	0.56	54%	0.541	S	S	*	.			trans	-62.4	109.7	-177	-173.6	68.2	0	0	0	109.9	L642 S806 N812 V813	L642-L808 HydrophobicContact CD1-CD1 4.14Å; L642-L808 HydrophobicContact CD2-CD1 3.69Å; S806-L808 PolarHBondContact O-N 3.46Å; L808-N812 HydrophobicContact CD1-CB 4.3Å; L808-V813 HydrophobicContact CD2-CG2 3.83Å; L808-V813 HydrophobicContact CG-CG2 4.19Å
809	S	66.1	Low	63.8	Low	60 Å²	60	96.8 Å²	96.8	42%	0.42	54%	0.541	S	S	.	.			trans	-68.1	138.4	-179	177.7	0	0	0	0	111	A807 S811 N812	A807-S809 PolarHBondContact O-N 3.21Å; S809-S811 WeakPolarHBondContact CB-OG 3.37Å; S809-S811 PolarHBondContact O-N 3.43Å; S809-S811 VanDerWaalsContact O-N 3.08Å; S809-S811 PolarHBondContact OG-N 3.46Å; S809-S811 PolarHBondContact OG-OG 3.32Å; S809-N812 WeakPolarHBondContact O-CB 3.47Å; S809-N812 PolarHBondContact O-N 3.21Å
810	L	73.1	Confident	66.4	Low	127 Å²	127	98 Å²	98	67%	0.665	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-53.8	-29.5	174.2	-178.2	62.2	0	0	0	112.4	N812 V813 A814 F817	L810-N812 PolarHBondContact O-N 3.26Å; L810-V813 PolarHBondContact O-N 3.35Å; L810-V813 VanDerWaalsContact O-N 3.13Å; L810-A814 PolarHBondContact O-N 3.34Å; L810-F817 HydrophobicContact CD1-CE2 4.18Å
811	S	70.2	Confident	68.7	Low	44 Å²	44	96.3 Å²	96.3	31%	0.308	52%	0.524	S	S	.	.	G	3₁₀ helix	trans	-53.8	-34.6	174	52.3	0	0	0	0	113.6	S809 V813	S809-S811 WeakPolarHBondContact CB-OG 3.37Å; S809-S811 PolarHBondContact O-N 3.43Å; S809-S811 VanDerWaalsContact O-N 3.08Å; S809-S811 PolarHBondContact OG-N 3.46Å; S809-S811 PolarHBondContact OG-OG 3.32Å; S811-V813 VanDerWaalsContact C-N 3.3Å; S811-V813 PolarHBondContact O-N 2.88Å
812	N	71.3	Confident	71.3	Confident	24 Å²	24	93.9 Å²	93.9	13%	0.128	51%	0.514	C	S	.	.	G	3₁₀ helix	trans	-82.2	-13.5	-173.4	-54.3	13.7	0	0	0	111.7	L808 S809 L810	L808-N812 HydrophobicContact CD1-CB 4.3Å; S809-N812 WeakPolarHBondContact O-CB 3.47Å; S809-N812 PolarHBondContact O-N 3.21Å; L810-N812 PolarHBondContact O-N 3.26Å
813	V	76.5	Confident	73.8	Confident	46 Å²	46	87.3 Å²	87.3	28%	0.279	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.6	-13.1	-178.7	-167.1	0	0	0	0	111.5	L808 L810 S811 G815 V816 F817	L808-V813 HydrophobicContact CD2-CG2 3.83Å; L808-V813 HydrophobicContact CG-CG2 4.19Å; L810-V813 PolarHBondContact O-N 3.35Å; L810-V813 VanDerWaalsContact O-N 3.13Å; S811-V813 VanDerWaalsContact C-N 3.3Å; S811-V813 PolarHBondContact O-N 2.88Å; V813-G815 VanDerWaalsContact C-N 3.27Å; V813-G815 PolarHBondContact O-N 3.05Å; V813-G815 VanDerWaalsContact O-N 3.14Å; V813-V816 HydrophobicContact CG1-CB 4.36Å; V813-V816 HydrophobicContact CG1-CG2 4.35Å; V813-V816 WeakPolarHBondContact O-CB 3.49Å; V813-V816 PolarHBondContact O-N 3.24Å; V813-F817 HydrophobicContact CB-CE2 4.48Å; V813-F817 HydrophobicContact CG1-CD2 4.28Å; V813-F817 HydrophobicContact CG1-CE2 3.89Å
814	A	81.2	Confident	76.1	Confident	17 Å²	17	83.9 Å²	83.9	14%	0.14	48%	0.484	C	S	.	.	H	α-helix	trans	-52	-39.1	-176.4	0	0	0	0	0	114.1	L810 V816 F817 Y818	L810-A814 PolarHBondContact O-N 3.34Å; A814-V816 VanDerWaalsContact C-N 3.28Å; A814-V816 PolarHBondContact O-N 2.78Å; A814-F817 PolarHBondContact O-N 2.79Å; A814-F817 VanDerWaalsContact O-N 3.17Å; A814-Y818 HydrophobicContact CB-CE2 4.19Å; A814-Y818 WeakPolarHBondContact O-CD2 3.41Å; A814-Y818 PolarHBondContact O-N 3.28Å
815	G	83.3	Confident	78.4	Confident	0 Å²	0	77 Å²	77	0%	0	47%	0.467	C	S	.	.	H	α-helix	trans	-62	-32	177.2	0	0	0	0	0	114.1	V531 V813 Y818 I819	V531-G815 VanDerWaalsContact O-CA 3.3Å; V531-G815 WeakPolarHBondContact O-CA 3.28Å; V531-G815 PolarHBondContact O-N 2.97Å; V813-G815 VanDerWaalsContact C-N 3.27Å; V813-G815 PolarHBondContact O-N 3.05Å; V813-G815 VanDerWaalsContact O-N 3.14Å; G815-Y818 PolarHBondContact O-N 3.44Å; G815-I819 WeakPolarHBondContact O-CG1 3.42Å; G815-I819 PolarHBondContact O-N 3.27Å
816	V	86.6	Confident	80.6	Confident	72 Å²	72	76.1 Å²	76.1	44%	0.436	46%	0.457	S	S	.	.	H	α-helix	trans	-66.9	-40.8	176	-172.8	0	0	0	0	110.4	F534 V813 A814 I819 L820	F534-V816 HydrophobicContact CD1-CG2 4.02Å; F534-V816 HydrophobicContact CD2-CG2 4.49Å; F534-V816 HydrophobicContact CE1-CG2 4.24Å; F534-V816 HydrophobicContact CG-CG2 4.17Å; V813-V816 HydrophobicContact CG1-CB 4.36Å; V813-V816 HydrophobicContact CG1-CG2 4.35Å; V813-V816 WeakPolarHBondContact O-CB 3.49Å; V813-V816 PolarHBondContact O-N 3.24Å; A814-V816 VanDerWaalsContact C-N 3.28Å; A814-V816 PolarHBondContact O-N 2.78Å; V816-I819 PolarHBondContact O-N 3.36Å; V816-L820 WeakPolarHBondContact O-CB 3.3Å; V816-L820 PolarHBondContact O-N 2.83Å
817	F	86.8	Confident	82.4	Confident	110 Å²	110	74.4 Å²	74.4	48%	0.482	45%	0.448	S	S	.	.	H	α-helix	trans	-66.2	-39.2	174.2	-71.5	-79	0	0	0	112.4	L810 V813 A814 L820 V821	L810-F817 HydrophobicContact CD1-CE2 4.18Å; V813-F817 HydrophobicContact CB-CE2 4.48Å; V813-F817 HydrophobicContact CG1-CD2 4.28Å; V813-F817 HydrophobicContact CG1-CE2 3.89Å; A814-F817 PolarHBondContact O-N 2.79Å; A814-F817 VanDerWaalsContact O-N 3.17Å; F817-L820 PolarHBondContact O-N 3.47Å; F817-V821 WeakPolarHBondContact O-CG2 3.49Å; F817-V821 PolarHBondContact O-N 2.9Å
818	Y	88.8	Confident	84	Confident	151 Å²	151	76.3 Å²	76.3	59%	0.592	44%	0.443	S	S	*	.	H	α-helix	trans	-63.9	-41.1	175.3	-61	-36.1	0	0	0	112.4	V531 A814 G815 G822	V531-Y818 HydrophobicContact CG1-CD2 3.66Å; V531-Y818 HydrophobicContact CG1-CE2 3.68Å; A814-Y818 HydrophobicContact CB-CE2 4.19Å; A814-Y818 WeakPolarHBondContact O-CD2 3.41Å; A814-Y818 PolarHBondContact O-N 3.28Å; G815-Y818 PolarHBondContact O-N 3.44Å; Y818-G822 PolarHBondContact O-N 3.31Å
819	I	89.8	Confident	85.3	Confident	100 Å²	100	75.7 Å²	75.7	51%	0.513	44%	0.439	S	S	.	.	H	α-helix	trans	-64.9	-42.7	175.1	-69.9	169.2	0	0	0	111	F534 G815 V816 G822 G823	F534-I819 HydrophobicContact CE2-CD1 4.37Å; F534-I819 HydrophobicContact CZ-CD1 3.66Å; G815-I819 WeakPolarHBondContact O-CG1 3.42Å; G815-I819 PolarHBondContact O-N 3.27Å; V816-I819 PolarHBondContact O-N 3.36Å; I819-G822 PolarHBondContact O-N 2.86Å; I819-G823 PolarHBondContact O-N 3.38Å
820	L	89.6	Confident	86.5	Confident	100 Å²	100	76 Å²	76	52%	0.524	44%	0.439	S	S	.	.	H	α-helix	trans	-60	-49.6	176.8	178.1	61.6	0	0	0	112	V816 F817 G823 L824	V816-L820 WeakPolarHBondContact O-CB 3.3Å; V816-L820 PolarHBondContact O-N 2.83Å; F817-L820 PolarHBondContact O-N 3.47Å; L820-G823 PolarHBondContact O-N 2.88Å; L820-L824 HydrophobicContact CD1-CD1 4.28Å; L820-L824 HydrophobicContact CD1-CG 4.44Å; L820-L824 HydrophobicContact CG-CD1 4.28Å; L820-L824 WeakPolarHBondContact O-CG 3.09Å; L820-L824 PolarHBondContact O-N 2.83Å
821	V	92.3	Very high	87.2	Confident	101 Å²	101	72.6 Å²	72.6	61%	0.612	43%	0.429	S	S	*	.	H	α-helix	trans	-65.4	-40.7	179.2	173.7	0	0	0	0	111.2	F817 L824 G825	F817-V821 WeakPolarHBondContact O-CG2 3.49Å; F817-V821 PolarHBondContact O-N 2.9Å; V821-L824 PolarHBondContact O-N 3.34Å; V821-G825 PolarHBondContact O-N 2.7Å
822	G	93.2	Very high	88	Confident	44 Å²	44	75.1 Å²	75.1	45%	0.454	44%	0.439	S	S	.	.	H	α-helix	trans	-61.5	-42.7	174.2	0	0	0	0	0	112.9	Y818 I819 G825 L826	Y818-G822 PolarHBondContact O-N 3.31Å; I819-G822 PolarHBondContact O-N 2.86Å; G822-G825 PolarHBondContact O-N 3.34Å; G822-L826 WeakPolarHBondContact O-CB 3.46Å; G822-L826 PolarHBondContact O-N 3.38Å
823	G	91.9	Very high	88.8	Confident	41 Å²	41	78.7 Å²	78.7	42%	0.423	46%	0.457	S	S	.	.	H	α-helix	trans	-64	-43.5	176.3	0	0	0	0	0	113	I819 L820 L826 A827	I819-G823 PolarHBondContact O-N 3.38Å; L820-G823 PolarHBondContact O-N 2.88Å; G823-L826 PolarHBondContact O-N 3.07Å; G823-A827 WeakPolarHBondContact O-CB 3.31Å; G823-A827 PolarHBondContact O-N 2.92Å
824	L	93.1	Very high	89.3	Confident	112 Å²	112	82.6 Å²	82.6	59%	0.586	47%	0.472	S	S	*	.	H	α-helix	trans	-63.7	-41.4	174.8	-69.5	171.2	0	0	0	112	L820 V821 A827 M828	L820-L824 HydrophobicContact CD1-CD1 4.28Å; L820-L824 HydrophobicContact CD1-CG 4.44Å; L820-L824 HydrophobicContact CG-CD1 4.28Å; L820-L824 WeakPolarHBondContact O-CG 3.09Å; L820-L824 PolarHBondContact O-N 2.83Å; V821-L824 PolarHBondContact O-N 3.34Å; L824-A827 PolarHBondContact O-N 3.39Å; L824-M828 WeakPolarHBondContact O-CB 3Å; L824-M828 PolarHBondContact O-N 2.66Å
825	G	92.3	Very high	89.4	Confident	44 Å²	44	84.8 Å²	84.8	45%	0.454	48%	0.478	S	S	.	.	H	α-helix	trans	-62.7	-42.8	174.5	0	0	0	0	0	112.8	V821 G822 M828 L829	V821-G825 PolarHBondContact O-N 2.7Å; G822-G825 PolarHBondContact O-N 3.34Å; G825-M828 PolarHBondContact O-N 2.89Å; G825-L829 WeakPolarHBondContact O-CB 3.3Å; G825-L829 PolarHBondContact O-N 3.45Å
826	L	92.6	Very high	89.3	Confident	110 Å²	110	87.1 Å²	87.1	58%	0.576	49%	0.494	S	S	*	.	H	α-helix	trans	-65.4	-42.9	175.8	-178	61	0	0	0	111.9	G822 G823 L829 V830	G822-L826 WeakPolarHBondContact O-CB 3.46Å; G822-L826 PolarHBondContact O-N 3.38Å; G823-L826 PolarHBondContact O-N 3.07Å; L826-L829 PolarHBondContact O-N 3.35Å; L826-V830 HydrophobicContact CD1-CG2 4.45Å; L826-V830 WeakPolarHBondContact O-CG2 3.35Å; L826-V830 PolarHBondContact O-N 3.15Å
827	A	91.7	Very high	89.2	Confident	59 Å²	59	92.3 Å²	92.3	49%	0.488	51%	0.507	S	S	.	.	H	α-helix	trans	-62.4	-43.5	176.7	0	0	0	0	0	112	G823 L824 L829 V830 A831	G823-A827 WeakPolarHBondContact O-CB 3.31Å; G823-A827 PolarHBondContact O-N 2.92Å; L824-A827 PolarHBondContact O-N 3.39Å; A827-L829 VanDerWaalsContact C-N 3.34Å; A827-L829 PolarHBondContact O-N 3.33Å; A827-V830 PolarHBondContact O-N 2.92Å; A827-A831 WeakPolarHBondContact O-CB 3.38Å; A827-A831 PolarHBondContact O-N 2.8Å
828	M	90.8	Very high	88.9	Confident	133 Å²	133	93.3 Å²	93.3	66%	0.655	51%	0.511	S	S	*	.	H	α-helix	trans	-62.4	-40.3	173.9	-179.1	177.3	-78.8	0	0	111.9	L824 G825 A831 L832	L824-M828 WeakPolarHBondContact O-CB 3Å; L824-M828 PolarHBondContact O-N 2.66Å; G825-M828 PolarHBondContact O-N 2.89Å; M828-A831 PolarHBondContact O-N 3.16Å; M828-L832 HydrophobicContact CG-CD1 4.14Å; M828-L832 WeakPolarHBondContact O-CB 3.5Å; M828-L832 WeakPolarHBondContact O-CG 3.32Å; M828-L832 PolarHBondContact O-N 2.98Å
829	L	91	Very high	88.1	Confident	94 Å²	94	86.1 Å²	86.1	49%	0.492	48%	0.483	S	S	.	.	H	α-helix	trans	-64.1	-44.9	176.5	179.3	62	0	0	0	112.1	G825 L826 A827 L832 I833	G825-L829 WeakPolarHBondContact O-CB 3.3Å; G825-L829 PolarHBondContact O-N 3.45Å; L826-L829 PolarHBondContact O-N 3.35Å; A827-L829 VanDerWaalsContact C-N 3.34Å; A827-L829 PolarHBondContact O-N 3.33Å; L829-L832 PolarHBondContact O-N 3.35Å; L829-I833 HydrophobicContact CD1-CD1 4.02Å; L829-I833 HydrophobicContact CD1-CG1 4.4Å; L829-I833 HydrophobicContact CG-CD1 3.92Å; L829-I833 VanDerWaalsContact O-CG1 3.27Å; L829-I833 WeakPolarHBondContact O-CG1 3.39Å; L829-I833 PolarHBondContact O-N 3.15Å
830	V	91.4	Very high	87.3	Confident	67 Å²	67	89.4 Å²	89.4	41%	0.406	49%	0.489	S	S	.	.	H	α-helix	trans	-61.8	-46.9	175.9	171.9	0	0	0	0	110.6	L826 A827 L832 I833 E834	L826-V830 HydrophobicContact CD1-CG2 4.45Å; L826-V830 WeakPolarHBondContact O-CG2 3.35Å; L826-V830 PolarHBondContact O-N 3.15Å; A827-V830 PolarHBondContact O-N 2.92Å; V830-L832 VanDerWaalsContact C-N 3.32Å; V830-L832 PolarHBondContact O-N 2.7Å; V830-I833 PolarHBondContact O-N 3.42Å; V830-I833 VanDerWaalsContact O-N 3.09Å; V830-E834 HydrophobicContact CG1-CG 4.41Å; V830-E834 PolarHBondContact O-N 3.37Å
831	A	87.1	Confident	86.5	Confident	56 Å²	56	87.1 Å²	87.1	46%	0.463	49%	0.485	S	S	.	.	H	α-helix	trans	-59.9	-39.6	177	0	0	0	0	0	112.7	A827 M828 F835	A827-A831 WeakPolarHBondContact O-CB 3.38Å; A827-A831 PolarHBondContact O-N 2.8Å; M828-A831 PolarHBondContact O-N 3.16Å; A831-F835 WeakPolarHBondContact O-CB 3.49Å; A831-F835 PolarHBondContact O-N 3.37Å
832	L	86.7	Confident	85.3	Confident	97 Å²	97	85.2 Å²	85.2	51%	0.508	47%	0.469	S	S	.	.	H	α-helix	trans	-63.9	-41.2	173	-81.5	165.5	0	0	0	112.4	M828 L829 V830 C836	M828-L832 HydrophobicContact CG-CD1 4.14Å; M828-L832 WeakPolarHBondContact O-CB 3.5Å; M828-L832 WeakPolarHBondContact O-CG 3.32Å; M828-L832 PolarHBondContact O-N 2.98Å; L829-L832 PolarHBondContact O-N 3.35Å; V830-L832 VanDerWaalsContact C-N 3.32Å; V830-L832 PolarHBondContact O-N 2.7Å; L832-C836 VanDerWaalsContact O-CB 3.3Å; L832-C836 WeakPolarHBondContact O-CB 3.3Å; L832-C836 PolarHBondContact O-N 3.36Å; L832-C836 PolarHBondContact O-SG 3.44Å
833	I	87.6	Confident	83.7	Confident	99 Å²	99	83.6 Å²	83.6	51%	0.508	45%	0.451	S	S	.	.	H	α-helix	trans	-67.1	-45.8	177.9	-70.1	165.3	0	0	0	110.6	L829 V830 C836 Y837	L829-I833 HydrophobicContact CD1-CD1 4.02Å; L829-I833 HydrophobicContact CD1-CG1 4.4Å; L829-I833 HydrophobicContact CG-CD1 3.92Å; L829-I833 VanDerWaalsContact O-CG1 3.27Å; L829-I833 WeakPolarHBondContact O-CG1 3.39Å; L829-I833 PolarHBondContact O-N 3.15Å; V830-I833 PolarHBondContact O-N 3.42Å; V830-I833 VanDerWaalsContact O-N 3.09Å; I833-C836 PolarHBondContact O-N 2.62Å; I833-Y837 VanDerWaalsContact O-CB 3.28Å; I833-Y837 WeakPolarHBondContact O-CB 3.43Å; I833-Y837 PolarHBondContact O-N 2.87Å
834	E	88.4	Confident	82.5	Confident	127 Å²	127	90.3 Å²	90.3	59%	0.593	47%	0.469	S	S	*	.	H	α-helix	trans	-61.9	-46.5	175.6	-74.1	-171.2	-178.3	0	0	112.1	V830 C836 Y837 K838	V830-E834 HydrophobicContact CG1-CG 4.41Å; V830-E834 PolarHBondContact O-N 3.37Å; E834-C836 VanDerWaalsContact C-N 3.33Å; E834-C836 PolarHBondContact O-N 2.94Å; E834-Y837 PolarHBondContact O-N 3.37Å; E834-K838 VanDerWaalsContact O-CB 3.25Å; E834-K838 WeakPolarHBondContact O-CB 3.3Å; E834-K838 PolarHBondContact O-N 2.88Å
835	F	82.1	Confident	81.2	Confident	63 Å²	63	95.7 Å²	95.7	28%	0.276	48%	0.481	S	S	.	.	H	α-helix	trans	-58.7	-45.4	176.5	-179	-95.1	0	0	0	111.3	A831 S839 M854 K857 A858	A831-F835 WeakPolarHBondContact O-CB 3.49Å; A831-F835 PolarHBondContact O-N 3.37Å; F835-S839 WeakPolarHBondContact O-CB 3.48Å; F835-S839 PolarHBondContact O-N 2.02Å; F835-S839 PolarHBondContact O-OG 3.2Å; F835-M854 HydrophobicContact CE1-CG 3.82Å; F835-K857 HydrophobicContact CE2-CB 3.87Å; F835-K857 HydrophobicContact CE2-CD 4.44Å; F835-K857 HydrophobicContact CZ-CB 3.89Å; F835-A858 HydrophobicContact CZ-CB 4.41Å
836	C	81.6	Confident	79.7	Confident	49 Å²	49	99.3 Å²	99.3	33%	0.331	49%	0.488	S	S	.	.	H	α-helix	trans	-61.5	-48.5	174	-73	0	0	0	0	111.9	L832 I833 E834 S839 R840	L832-C836 VanDerWaalsContact O-CB 3.3Å; L832-C836 WeakPolarHBondContact O-CB 3.3Å; L832-C836 PolarHBondContact O-N 3.36Å; L832-C836 PolarHBondContact O-SG 3.44Å; I833-C836 PolarHBondContact O-N 2.62Å; E834-C836 VanDerWaalsContact C-N 3.33Å; E834-C836 PolarHBondContact O-N 2.94Å; C836-S839 PolarHBondContact O-N 3.46Å; C836-R840 WeakPolarHBondContact O-CB 3.26Å; C836-R840 PolarHBondContact O-N 3.47Å
837	Y	84	Confident	77.9	Confident	181 Å²	181	103.5 Å²	103.5	71%	0.71	50%	0.502	S	S	*	.	H	α-helix	trans	-64.5	-49.8	-176.5	-173.4	-90.8	0	0	0	111.9	I833 E834 S839 R840 A841	I833-Y837 VanDerWaalsContact O-CB 3.28Å; I833-Y837 WeakPolarHBondContact O-CB 3.43Å; I833-Y837 PolarHBondContact O-N 2.87Å; E834-Y837 PolarHBondContact O-N 3.37Å; Y837-S839 VanDerWaalsContact C-N 3.34Å; Y837-S839 PolarHBondContact O-N 3.36Å; Y837-R840 WeakPolarHBondContact O-CB 3.33Å; Y837-R840 PolarHBondContact O-N 2.94Å; Y837-R840 VanDerWaalsContact O-N 3.09Å; Y837-A841 PolarHBondContact O-N 3.49Å
838	K	80.6	Confident	76.6	Confident	131 Å²	131	104.1 Å²	104.1	57%	0.57	50%	0.499	S	S	*	.	H	α-helix	trans	-63.6	-39.2	179	-164	170	-175.2	173	0	111.4	E834 A841 E842	E834-K838 VanDerWaalsContact O-CB 3.25Å; E834-K838 WeakPolarHBondContact O-CB 3.3Å; E834-K838 PolarHBondContact O-N 2.88Å; K838-A841 PolarHBondContact O-N 2.72Å; K838-E842 WeakPolarHBondContact O-CB 3.3Å; K838-E842 WeakPolarHBondContact O-CG 3.44Å; K838-E842 PolarHBondContact O-N 3.05Å
839	S	71.9	Confident	75.1	Confident	1 Å²	1	102.5 Å²	102.5	1%	0.007	50%	0.497	C	S	.	.	H	α-helix	trans	-66.2	-34.7	172.9	-57.2	0	0	0	0	112.6	F835 C836 Y837 A843	F835-S839 WeakPolarHBondContact O-CB 3.48Å; F835-S839 PolarHBondContact O-N 2.02Å; F835-S839 PolarHBondContact O-OG 3.2Å; C836-S839 PolarHBondContact O-N 3.46Å; Y837-S839 VanDerWaalsContact C-N 3.34Å; Y837-S839 PolarHBondContact O-N 3.36Å; S839-A843 WeakPolarHBondContact O-CB 3.44Å; S839-A843 PolarHBondContact O-N 3.37Å
840	R	73	Confident	73.5	Confident	169 Å²	169	101.7 Å²	101.7	64%	0.638	49%	0.489	S	S	*	.	H	α-helix	trans	-70.7	-37.2	175.8	-137.4	168.2	-164.5	-174.8	3.9	112.2	C836 Y837 K844 F850	C836-R840 WeakPolarHBondContact O-CB 3.26Å; C836-R840 PolarHBondContact O-N 3.47Å; Y837-R840 WeakPolarHBondContact O-CB 3.33Å; Y837-R840 PolarHBondContact O-N 2.94Å; Y837-R840 VanDerWaalsContact O-N 3.09Å; R840-K844 PolarHBondContact O-N 3.02Å; R840-F850 HydrophobicContact CB-CD2 4.3Å; R840-F850 HydrophobicContact CB-CE2 3.87Å; R840-F850 HydrophobicContact CG-CD2 3.87Å; R840-F850 HydrophobicContact CG-CE2 3.68Å; R840-F850 HydrophobicContact CG-CZ 4.45Å
841	A	74.4	Confident	72	Confident	52 Å²	52	100.7 Å²	100.7	43%	0.43	49%	0.492	S	S	.	.	H	α-helix	trans	-67	-45.6	174.6	0	0	0	0	0	111.8	Y837 K838 K844 R845	Y837-A841 PolarHBondContact O-N 3.49Å; K838-A841 PolarHBondContact O-N 2.72Å; A841-K844 WeakPolarHBondContact O-CB 3.49Å; A841-K844 PolarHBondContact O-N 2.85Å; A841-R845 PolarHBondContact O-N 3.28Å
842	E	65.6	Low	70.7	Confident	60 Å²	60	101.9 Å²	101.9	28%	0.28	49%	0.491	S	S	.	.	H	α-helix	trans	-68.8	-37.2	176.5	-74.5	166.5	-157.4	0	0	112.9	K838 K844 R845 M846 K857	K838-E842 WeakPolarHBondContact O-CB 3.3Å; K838-E842 WeakPolarHBondContact O-CG 3.44Å; K838-E842 PolarHBondContact O-N 3.05Å; E842-K844 VanDerWaalsContact C-N 3.3Å; E842-K844 PolarHBondContact O-N 3.43Å; E842-R845 CarbonylContact O-C 3.53Å; E842-R845 WeakPolarHBondContact O-CA 3.28Å; E842-R845 PolarHBondContact O-N 2.92Å; E842-M846 HydrophobicContact CB-CE 4.44Å; E842-M846 PolarHBondContact O-N 3.48Å; E842-K857 IonicContact OE1-NZ 2.69Å; E842-K857 PolarHBondContact OE1-NZ 3.22Å; E842-K857 VanDerWaalsContact OE2-CE 3.25Å; E842-K857 WeakPolarHBondContact OE2-CE 3.35Å; E842-K857 IonicContact OE2-NZ 2.63Å; E842-K857 PolarHBondContact OE2-NZ 3.03Å
843	A	60.8	Low	69.4	Low	10 Å²	10	97.9 Å²	97.9	8%	0.083	47%	0.472	C	S	.	.	H	α-helix	trans	-59.2	-40.5	172.8	0	0	0	0	0	111.9	S839 K847 V848 A853	S839-A843 WeakPolarHBondContact O-CB 3.44Å; S839-A843 PolarHBondContact O-N 3.37Å; A843-K847 PolarHBondContact O-N 3.3Å; A843-V848 PolarHBondContact O-N 3.34Å; A843-A853 HydrophobicContact CB-CB 4.01Å
844	K	66.9	Low	68.1	Low	182 Å²	182	96.1 Å²	96.1	79%	0.791	46%	0.463	S	S	*	.	H	α-helix	trans	-63.4	-40.8	169.6	-81.5	-171.4	172.6	-173	0	112.4	R840 A841 E842	R840-K844 PolarHBondContact O-N 3.02Å; A841-K844 WeakPolarHBondContact O-CB 3.49Å; A841-K844 PolarHBondContact O-N 2.85Å; E842-K844 VanDerWaalsContact C-N 3.3Å; E842-K844 PolarHBondContact O-N 3.43Å
845	R	64.6	Low	66.9	Low	225 Å²	225	99 Å²	99	85%	0.849	47%	0.468	S	S	*	.	H	α-helix	trans	-70.7	-31.7	-177.8	-154.6	177	-168.5	-178.2	3.4	113	A841 E842	A841-R845 PolarHBondContact O-N 3.28Å; E842-R845 CarbonylContact O-C 3.53Å; E842-R845 WeakPolarHBondContact O-CA 3.28Å; E842-R845 PolarHBondContact O-N 2.92Å
846	M	60.6	Low	65.9	Low	120 Å²	120	101.1 Å²	101.1	59%	0.591	48%	0.482	S	S	*	.	H	α-helix	trans	-104.7	2.1	-177.8	-62.6	-165.8	-65.8	0	0	114.7	E842 V848	E842-M846 HydrophobicContact CB-CE 4.44Å; E842-M846 PolarHBondContact O-N 3.48Å; M846-V848 VanDerWaalsContact C-N 3.35Å; M846-V848 HydrophobicContact CB-CG2 4.14Å; M846-V848 PolarHBondContact O-N 2.84Å
847	K	56.1	Low	64.9	Low	199 Å²	199	101.2 Å²	101.2	87%	0.865	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	41.3	179.7	-61.1	-176.7	177.5	178.7	0	114.6	A843	A843-K847 PolarHBondContact O-N 3.3Å
848	V	64.1	Low	63.8	Low	72 Å²	72	94.6 Å²	94.6	44%	0.436	46%	0.46	S	S	.	.			trans	-118.2	156.9	178.9	-72.4	0	0	0	0	112.4	A843 M846 A853	A843-V848 PolarHBondContact O-N 3.34Å; M846-V848 VanDerWaalsContact C-N 3.35Å; M846-V848 HydrophobicContact CB-CG2 4.14Å; M846-V848 PolarHBondContact O-N 2.84Å; V848-A853 HydrophobicContact CG2-CB 4.3Å
849	T	59.5	Low	62.7	Low	98 Å²	98	97 Å²	97	60%	0.601	47%	0.465	S	S	*	.			trans	-61	138.6	178	6.4	0	0	0	0	111.9	G851 D852 A853	T849-G851 VanDerWaalsContact C-N 3.28Å; T849-G851 PolarHBondContact O-N 3.38Å; T849-D852 WeakPolarHBondContact CB-OD2 3.46Å; T849-D852 PolarHBondContact O-N 2.96Å; T849-D852 VanDerWaalsContact O-N 3.13Å; T849-D852 PolarHBondContact OG1-OD2 3.3Å; T849-A853 PolarHBondContact O-N 3.42Å
850	F	56.4	Low	62.1	Low	77 Å²	77	101.1 Å²	101.1	34%	0.338	49%	0.486	S	S	.	.	H	α-helix	trans	-59.1	-35.1	-173.4	177.9	-117.8	0	0	0	113.6	R840 M854	R840-F850 HydrophobicContact CB-CD2 4.3Å; R840-F850 HydrophobicContact CB-CE2 3.87Å; R840-F850 HydrophobicContact CG-CD2 3.87Å; R840-F850 HydrophobicContact CG-CE2 3.68Å; R840-F850 HydrophobicContact CG-CZ 4.45Å; F850-M854 HydrophobicContact CD1-CE 4.34Å; F850-M854 HydrophobicContact CE1-CE 3.53Å; F850-M854 HydrophobicContact CE2-CE 4.25Å; F850-M854 HydrophobicContact CZ-CE 3.48Å; F850-M854 VanDerWaalsContact CZ-CE 3.48Å; F850-M854 WeakPolarHBondContact O-CB 3.36Å; F850-M854 PolarHBondContact O-N 2.92Å; F850-M854 VanDerWaalsContact O-N 3.16Å
851	G	60.1	Low	61.5	Low	46 Å²	46	97.2 Å²	97.2	47%	0.474	49%	0.485	S	S	.	.	H	α-helix	trans	-65.4	-40	176.9	0	0	0	0	0	113.3	T849 M854 R855	T849-G851 VanDerWaalsContact C-N 3.28Å; T849-G851 PolarHBondContact O-N 3.38Å; G851-M854 PolarHBondContact O-N 2.94Å; G851-R855 WeakPolarHBondContact O-CB 3.41Å; G851-R855 PolarHBondContact O-N 3.43Å
852	D	60.6	Low	60.7	Low	82 Å²	82	100.6 Å²	100.6	44%	0.439	50%	0.5	S	S	.	.	H	α-helix	trans	-74	-39.6	-177.1	-54.6	-61.4	0	0	0	111.7	T849 M854 R855 N856	T849-D852 WeakPolarHBondContact CB-OD2 3.46Å; T849-D852 PolarHBondContact O-N 2.96Å; T849-D852 VanDerWaalsContact O-N 3.13Å; T849-D852 PolarHBondContact OG1-OD2 3.3Å; D852-M854 VanDerWaalsContact C-N 3.34Å; D852-M854 PolarHBondContact O-N 2.91Å; D852-R855 PolarHBondContact O-N 2.61Å; D852-N856 PolarHBondContact O-N 2.93Å
853	A	58.2	Low	60.2	Low	13 Å²	13	102.3 Å²	102.3	11%	0.107	52%	0.515	C	S	.	.	H	α-helix	trans	-58.3	-46.1	171.5	0	0	0	0	0	111.4	A843 V848 T849 K857	A843-A853 HydrophobicContact CB-CB 4.01Å; V848-A853 HydrophobicContact CG2-CB 4.3Å; T849-A853 PolarHBondContact O-N 3.42Å; A853-K857 PolarHBondContact O-N 3.15Å; A853-K857 VanDerWaalsContact O-N 3.17Å
854	M	60.6	Low	59.5	Low	62 Å²	62	104.9 Å²	104.9	31%	0.305	54%	0.542	S	S	.	.	H	α-helix	trans	-62.8	-43.4	176.3	-169.3	-172.2	-66.7	0	0	111.9	F835 F850 G851 D852 K857 A858	F835-M854 HydrophobicContact CE1-CG 3.82Å; F850-M854 HydrophobicContact CD1-CE 4.34Å; F850-M854 HydrophobicContact CE1-CE 3.53Å; F850-M854 HydrophobicContact CE2-CE 4.25Å; F850-M854 HydrophobicContact CZ-CE 3.48Å; F850-M854 VanDerWaalsContact CZ-CE 3.48Å; F850-M854 WeakPolarHBondContact O-CB 3.36Å; F850-M854 PolarHBondContact O-N 2.92Å; F850-M854 VanDerWaalsContact O-N 3.16Å; G851-M854 PolarHBondContact O-N 2.94Å; D852-M854 VanDerWaalsContact C-N 3.34Å; D852-M854 PolarHBondContact O-N 2.91Å; M854-K857 PolarHBondContact O-N 3.45Å; M854-A858 WeakPolarHBondContact O-CB 3.44Å; M854-A858 PolarHBondContact O-N 3.34Å
855	R	63.5	Low	58.1	Low	188 Å²	188	100.1 Å²	100.1	71%	0.709	53%	0.532	S	S	*	.	H	α-helix	trans	-67.7	-37.8	-177.4	-161	176.4	-164.6	178.7	4.8	112.9	G851 D852 R859	G851-R855 WeakPolarHBondContact O-CB 3.41Å; G851-R855 PolarHBondContact O-N 3.43Å; D852-R855 PolarHBondContact O-N 2.61Å; R855-R859 PolarHBondContact O-N 2.97Å
856	N	61.4	Low	56.9	Low	107 Å²	107	94.9 Å²	94.9	57%	0.572	53%	0.525	S	S	*	.	H	α-helix	trans	-66.9	-42.3	173.4	-79.7	-12	0	0	0	111.7	D852 R859 L860	D852-N856 PolarHBondContact O-N 2.93Å; N856-R859 PolarHBondContact O-N 3.38Å; N856-L860 PolarHBondContact O-N 3.13Å
857	K	59.9	Low	55.8	Low	51 Å²	51	92.4 Å²	92.4	22%	0.222	53%	0.53	C	S	.	.	H	α-helix	trans	-68.8	-37.4	178	-114	-179.7	175.5	170.6	0	113.6	F835 E842 A853 M854 R859 L860 S861	F835-K857 HydrophobicContact CE2-CB 3.87Å; F835-K857 HydrophobicContact CE2-CD 4.44Å; F835-K857 HydrophobicContact CZ-CB 3.89Å; E842-K857 IonicContact OE1-NZ 2.69Å; E842-K857 PolarHBondContact OE1-NZ 3.22Å; E842-K857 VanDerWaalsContact OE2-CE 3.25Å; E842-K857 WeakPolarHBondContact OE2-CE 3.35Å; E842-K857 IonicContact OE2-NZ 2.63Å; E842-K857 PolarHBondContact OE2-NZ 3.03Å; A853-K857 PolarHBondContact O-N 3.15Å; A853-K857 VanDerWaalsContact O-N 3.17Å; M854-K857 PolarHBondContact O-N 3.45Å; K857-R859 VanDerWaalsContact C-N 3.29Å; K857-R859 PolarHBondContact O-N 2.97Å; K857-L860 PolarHBondContact O-N 3.17Å; K857-S861 PolarHBondContact O-N 3.08Å; K857-S861 PolarHBondContact O-OG 3.2Å
858	A	60.3	Low	54.8	Low	42 Å²	42	91 Å²	91	35%	0.347	53%	0.527	S	S	.	.	H	α-helix	trans	-64.1	-32.6	174.2	0	0	0	0	0	112.5	F835 M854 S861 V862	F835-A858 HydrophobicContact CZ-CB 4.41Å; M854-A858 WeakPolarHBondContact O-CB 3.44Å; M854-A858 PolarHBondContact O-N 3.34Å; A858-S861 PolarHBondContact O-OG 2.69Å; A858-V862 WeakPolarHBondContact O-CB 3.49Å; A858-V862 VanDerWaalsContact O-CG2 3.22Å; A858-V862 WeakPolarHBondContact O-CG2 3.28Å; A858-V862 PolarHBondContact O-N 2.68Å
859	R	58.3	Low	53.4	Low	182 Å²	182	94.3 Å²	94.3	69%	0.687	54%	0.542	S	S	*	.	H	α-helix	trans	-65.4	-52.1	167.8	-89.5	-178.7	160.8	175.3	-7.4	111.3	R855 N856 K857 S861 V862 T863	R855-R859 PolarHBondContact O-N 2.97Å; N856-R859 PolarHBondContact O-N 3.38Å; K857-R859 VanDerWaalsContact C-N 3.29Å; K857-R859 PolarHBondContact O-N 2.97Å; R859-S861 VanDerWaalsContact C-N 3.31Å; R859-S861 PolarHBondContact O-N 3.2Å; R859-V862 PolarHBondContact O-N 3.28Å; R859-T863 PolarHBondContact O-N 3.41Å; R859-T863 PolarHBondContact O-OG1 3.13Å
860	L	59.6	Low	52.5	Low	86 Å²	86	93.7 Å²	93.7	45%	0.45	56%	0.555	S	S	.	*	H	α-helix	trans	-54.2	-43.1	-179.6	-112.1	143.2	0	0	0	113.1	N856 K857 V862 G864 T866	N856-L860 PolarHBondContact O-N 3.13Å; K857-L860 PolarHBondContact O-N 3.17Å; L860-V862 VanDerWaalsContact C-N 3.35Å; L860-V862 PolarHBondContact O-N 3.38Å; L860-G864 PolarHBondContact O-N 3.03Å; L860-G864 VanDerWaalsContact O-N 3.12Å; L860-T866 HydrophobicContact CD2-CG2 4.15Å
861	S	59.4	Low	51.3	Low	88 Å²	88	100.8 Å²	100.8	62%	0.615	58%	0.58	S	S	*	*	H	α-helix	trans	-74.4	-18.9	178.9	63.2	0	0	0	0	114.9	K857 A858 R859	K857-S861 PolarHBondContact O-N 3.08Å; K857-S861 PolarHBondContact O-OG 3.2Å; A858-S861 PolarHBondContact O-OG 2.69Å; R859-S861 VanDerWaalsContact C-N 3.31Å; R859-S861 PolarHBondContact O-N 3.2Å
862	V	58.5	Low	49.9	Very low	123 Å²	123	105.1 Å²	105.1	75%	0.745	60%	0.597	S	S	*	*	H	α-helix	trans	-98.1	-32.8	-179.6	171.7	0	0	0	0	112.1	A858 R859 L860	A858-V862 WeakPolarHBondContact O-CB 3.49Å; A858-V862 VanDerWaalsContact O-CG2 3.22Å; A858-V862 WeakPolarHBondContact O-CG2 3.28Å; A858-V862 PolarHBondContact O-N 2.68Å; R859-V862 PolarHBondContact O-N 3.28Å; L860-V862 VanDerWaalsContact C-N 3.35Å; L860-V862 PolarHBondContact O-N 3.38Å
863	T	54.4	Low	48.3	Very low	95 Å²	95	109.4 Å²	109.4	58%	0.583	62%	0.616	S	S	*	*	H	α-helix	trans	-107.2	-6.8	-175.5	61.6	0	0	0	0	114.7	R859 S865	R859-T863 PolarHBondContact O-N 3.41Å; R859-T863 PolarHBondContact O-OG1 3.13Å; T863-S865 PolarHBondContact O-N 3.04Å
864	G	45.8	Very low	47.3	Very low	64 Å²	64	114.4 Å²	114.4	66%	0.66	65%	0.646	S	S	*	*			trans	66.9	-19.3	174	0	0	0	0	0	116.8	L860 T866	L860-G864 PolarHBondContact O-N 3.03Å; L860-G864 VanDerWaalsContact O-N 3.12Å; G864-T866 PolarHBondContact O-N 3.12Å
865	S	37.9	Very low	45.9	Very low	83 Å²	83	117.3 Å²	117.3	58%	0.58	67%	0.669	S	S	*	*			trans	-76.9	107.9	-176.2	-176.4	0	0	0	0	112.6	T863 G867	T863-S865 PolarHBondContact O-N 3.04Å; S865-G867 PolarHBondContact O-N 2.67Å; S865-G867 VanDerWaalsContact O-N 3.16Å
866	T	38.8	Very low	44.1	Very low	114 Å²	114	117.1 Å²	117.1	70%	0.699	68%	0.676	S	S	*	*			trans	-68.6	100.6	158.2	46	0	0	0	0	109.4	L860 G864 E868	L860-T866 HydrophobicContact CD2-CG2 4.15Å; G864-T866 PolarHBondContact O-N 3.12Å; T866-E868 PolarHBondContact O-N 3.22Å
867	G	38.2	Very low	42.5	Very low	68 Å²	68	120.7 Å²	120.7	70%	0.701	69%	0.687	S	S	*	*			trans	-69.7	115.6	173.8	0	0	0	0	0	111.1	S865	S865-G867 PolarHBondContact O-N 2.67Å; S865-G867 VanDerWaalsContact O-N 3.16Å
868	E	35.1	Very low	41.3	Very low	170 Å²	170	124.2 Å²	124.2	79%	0.794	72%	0.715	S	S	*	*			trans	-61.9	155.3	170.8	-69.8	-170.6	98.6	0	0	111.9	T866 G870	T866-E868 PolarHBondContact O-N 3.22Å; E868-G870 PolarHBondContact O-N 3.48Å
869	N	34.9	Very low	39.8	Very low	142 Å²	142	130.8 Å²	130.8	76%	0.759	74%	0.736	S	S	*	*	S	Bend	trans	61.6	42.5	159.9	-59.8	-39.8	0	0	0	117.7	R871	N869-R871 VanDerWaalsContact C-N 3.32Å; N869-R871 PolarHBondContact O-N 2.97Å
870	G	41.1	Very low	38.5	Very low	85 Å²	85	126.3 Å²	126.3	88%	0.876	74%	0.738	S	S	*	*				60	24.9	123.5	0	0	0	0	0	119	E868	E868-G870 PolarHBondContact O-N 3.48Å
871	R	30.2	Very low	37.1	Very low	226 Å²	226	128.6 Å²	128.6	85%	0.853	76%	0.755	S	S	*	*			trans	-122.4	132.6	174.6	-84.1	-176.5	166.7	171.2	-3	112.2	N869	N869-R871 VanDerWaalsContact C-N 3.32Å; N869-R871 PolarHBondContact O-N 2.97Å
872	V	30.3	Very low	35.9	Very low	137 Å²	137	132.7 Å²	132.7	83%	0.83	76%	0.764	S	S	*	*			trans	-74.3	127.1	168.9	178.5	0	0	0	0	108.6
873	M	28.4	Very low	34.5	Very low	171 Å²	171	131 Å²	131	84%	0.842	76%	0.763	S	S	*	*			trans	-119	120.4	165.6	-84	-69.1	-173.7	0	0	109.2
874	T	36.6	Very low	33.3	Very low	118 Å²	118	133 Å²	133	72%	0.724	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-85.4	138.3	167.9	45.1	0	0	0	0	110
875	P	31.5	Very low	33.4	Very low	124 Å²	124	134.7 Å²	134.7	81%	0.805	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-91.8	116.1	160.1	30.7	-22.7	0	0	0	109.8
876	E	26.1	Very low	32.9	Very low	183 Å²	183	141.2 Å²	141.2	86%	0.855	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-71.4	157.1	160.6	-68.1	-170.8	117.2	0	0	110.4
877	F	28.1	Very low	32.4	Very low	183 Å²	183	140.4 Å²	140.4	80%	0.803	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-74.6	154.8	167.2	-87.2	-91.3	0	0	0	110.8	K879	F877-K879 HydrophobicContact CD1-CG 4.44Å
878	P	33.2	Very low	31.8	Very low	124 Å²	124	148.2 Å²	148.2	81%	0.805	80%	0.8	S	S	*	*				-117.7	159.3	121.2	28.3	-22	0	0	0	112.7
879	K	28.8	Very low	32.5	Very low	181 Å²	181	144.7 Å²	144.7	79%	0.787	79%	0.792	S	S	*	*			trans	-123.7	162	178.7	-84.4	-173.8	175.3	179.6	0	110.7	F877	F877-K879 HydrophobicContact CD1-CG 4.44Å
880	A	32	Very low	32.3	Very low	87 Å²	87	145 Å²	145	72%	0.719	79%	0.794	S	S	*	*			trans	74.4	159.6	162.3	0	0	0	0	0	114.8
881	V	30.7	Very low	31.8	Very low	134 Å²	134	150 Å²	150	81%	0.812	80%	0.797	S	S	*	*			cis	-132	155.1	19.4	177.5	0	0	0	0	113.9
882	H	33.8	Very low	31.7	Very low	174 Å²	174	143 Å²	143	81%	0.806	80%	0.795	S	S	*	*			trans	-47.7	-177.6	170.5	-57.1	-79.1	0	0	0	116.9
883	A	29.6	Very low	31.5	Very low	88 Å²	88	144 Å²	144	73%	0.727	80%	0.795	S	S	*	*			cis	-149.2	-177.2	20.2	0	0	0	0	0	111.6
884	V	28.5	Very low	31.4	Very low	136 Å²	136	142.3 Å²	142.3	82%	0.824	79%	0.789	S	S	*	*			cis	-153.7	158.3	43.6	168.7	0	0	0	0	111.4
885	P	48.3	Very low	31.1	Very low	100 Å²	100	143.2 Å²	143.2	65%	0.649	79%	0.794	S	S	*	*			trans	-131.6	-160.1	-163.2	37.3	-15.3	0	0	0	117
886	Y	27.3	Very low	31.1	Very low	221 Å²	221	142.1 Å²	142.1	87%	0.867	79%	0.789	S	S	*	*			trans	88.6	144.7	174.2	-74.3	-85.9	0	0	0	117.6
887	A	28.1	Very low	31.4	Very low	96 Å²	96	140.3 Å²	140.3	79%	0.793	79%	0.785	S	S	*	*			cis	-142.5	-177.4	12.1	0	0	0	0	0	116.5
888	R	24.6	Very low	31.6	Very low	232 Å²	232	136.7 Å²	136.7	88%	0.875	78%	0.778	S	S	*	*			trans	-84.4	-178.2	-175.7	-94.9	-174.5	-177.1	178.3	0.4	114.6
889	P	50.6	Low	31.4	Very low	96 Å²	96	137.6 Å²	137.6	62%	0.623	78%	0.776	S	S	*	*			cis	-145.4	-176.3	-29.8	40.3	-21.2	0	0	0	117.4
890	D	31	Very low	31.6	Very low	148 Å²	148	136.9 Å²	136.9	79%	0.791	78%	0.78	S	S	*	*			trans	96	136.6	137.9	-73.8	-32.6	0	0	0	126.6
891	M	29.4	Very low	31.7	Very low	191 Å²	191	141.7 Å²	141.7	94%	0.941	81%	0.808	S	S	*	*			trans	60.5	135.2	157.4	-71.3	-172	164.5	0	0	123.4
892	G	28	Very low	31.7	Very low	78 Å²	78	142.1 Å²	142.1	80%	0.804	81%	0.808	S	S	*	*			trans	167.1	5.9	161.2	0	0	0	0	0	127.4
893	L	27.1	Very low	31.6	Very low	159 Å²	159	140.4 Å²	140.4	83%	0.832	81%	0.808	S	S	*	*			trans	37.6	119.6	158.3	-77.3	160.4	0	0	0	125.2
894	N	26.7	Very low	31.7	Very low	136 Å²	136	143.3 Å²	143.3	73%	0.727	81%	0.813	S	S	*	*				64.5	136.2	124.9	-79.4	8	0	0	0	128.4
895	V	31.1	Very low	31.9	Very low	136 Å²	136	143.8 Å²	143.8	82%	0.824	81%	0.812	S	S	*	*			trans	70.4	153	135.4	171.5	0	0	0	0	119
896	S	30.7	Very low	30.9	Very low	101 Å²	101	146.5 Å²	146.5	71%	0.706	82%	0.822	S	S	*	*			cis	-123.2	-174.2	2	76.8	0	0	0	0	111.8
897	L	31.3	Very low	31.1	Very low	145 Å²	145	141.5 Å²	141.5	76%	0.759	82%	0.819	S	S	*	*			cis	96.2	121	5.5	-129.4	82.8	0	0	0	120.7
898	T	32.4	Very low	31.4	Very low	108 Å²	108	144.8 Å²	144.8	66%	0.663	82%	0.821	S	S	*	*			trans	60.9	134.6	149.2	41.8	0	0	0	0	125.8
899	D	29.9	Very low	31.9	Very low	143 Å²	143	138.1 Å²	138.1	77%	0.765	82%	0.817	S	S	*	*			trans	64.1	145.1	134.9	-66.3	-35.1	0	0	0	126.6
900	L	32.7	Very low	30.3	Very low	165 Å²	165	141.6 Å²	141.6	86%	0.864	83%	0.833	S	S	*	*			trans	57.7	106.8	147.9	-77.7	164	0	0	0	122
901	S	33.8	Very low	30.3	Very low	189 Å²	189	141 Å²	141	100%	1.322	84%	0.837	S	S	*	*			trans	-144.7	0	134.2	71.1	0	0	0	0	110.6

Retrieved 901 of 901 residues in 901.6 ms (Link to these results)

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