A0A087WYJ6_HUMAN 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 A0A087WYJ6, Species HUMAN (Homo sapiens, Human), Gene GRIA3, Length 824 aa.

						>A0A087WYJ6_HUMAN|A0A087WYJ6|GRIA3
MARQKKMGQSVLRAVFFLVLGLLGHSHGGFPNTISIGGLFMRNTVQEHSAFRFAVQLYNTNQNTTEKPFHLNYHVDHLDSSNSFSVTNAFCSQFSRGVYAIFGFYDQMSMNTLTSFCGALHTSFVTPSFPTDADVQFVIQMRPALKGAILSLLGHYKWEKFVYLYDTERGFSILQAIMEAAVQNNWQVTARSVGNIKDVQEFRRIIEEMDRRQEKRYLIDCEVERINTILEQVVILGKHSRGYHYMLANLGFTDILLERVMHGGANITGFQIVNNENPMVQQFIQRWVRLDEREFPEAKNAPLKYTSALTHDAILVIAEAFRYLRRQRVDVSRRGSAGDCLANPAVPWSQGIDIERALKMVQVQGMTGNIQFDTYGRRTNYTIDVYEMKVSGSRKAGYWNEYERFVPFSDQQISNDSASSENRTIVVTTILESPYVMYKKNHEQLEGNERYEGYCVDLAYEIAKHVRIKYKLSIVGDGKYGARDPETKIWNGMVGELVYGRADIAVAPLTITLVREEVIDFSKPFMSLGISIMIKKPQKSKPGVFSFLDPLAYEIWMCIVFAYIGVSVVLFLVSRFSPYEWHLEDNNEEPRDPQSPPDPPNEFGIFNSLWFSLGAFMQQGCDISPRSLSGRIVGGVWWFFTLIIISSYTANLAAFLTVERMVSPIESAEDLAKQTEIAYGTLDSGSTKEFFRRSKIAVYEKMWSYMKSAEPSVFTKTTADGVARVRKSKGKFAFLLESTMNEYIEQRKPCDTMKVGGNLDSKGYGVATPKGSALRNAVNLAVLKLNEQGLLDKLKNKWWYDKGECGSGGGDSKNACKPCSIETQ
					

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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	50.9	Low	48.4	Very low	251 Å²	251	151.4 Å²	151.4	100%	1.236	77%	0.77	S	S	*	*				0	42.5	0	-131.3	174.2	-165.9	0	0	112.9
2	A	48.7	Very low	49	Very low	94 Å²	94	149.9 Å²	149.9	78%	0.777	76%	0.764	S	S	*	*			trans	-137.2	10.4	-178.5	0	0	0	0	0	114
3	R	41.6	Very low	49.6	Very low	243 Å²	243	153.1 Å²	153.1	92%	0.917	76%	0.761	S	S	*	*	S	Bend	trans	-107.2	-9.9	179.3	-106.9	-180	176.5	-179.3	-1.3	114.8
4	Q	43.2	Very low	50.2	Low	190 Å²	190	146 Å²	146	89%	0.888	74%	0.738	S	S	*	*	S	Bend	trans	-93.5	-12.3	179.6	-91.8	-175.6	-34.3	0	0	115
5	K	46.6	Very low	51	Low	193 Å²	193	141.5 Å²	141.5	84%	0.839	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.9	-13.8	-178.4	-116.8	177	180	178.8	0	114.9
6	K	46	Very low	51.6	Low	180 Å²	180	141.8 Å²	141.8	78%	0.783	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.8	-14.1	179.1	-92	-175.5	174.7	-178.4	0	114.7
7	M	46.2	Very low	52	Low	147 Å²	147	142.8 Å²	142.8	72%	0.724	72%	0.715	S	S	*	*	H	α-helix	trans	-86.8	-28.2	-178.8	-143.7	156.5	81.7	0	0	112.6	V11	M7-V11 WeakPolarHBondContact O-CG2 3.13Å; M7-V11 PolarHBondContact O-N 3.28Å
8	G	46.5	Very low	52.2	Low	49 Å²	49	141.1 Å²	141.1	51%	0.505	71%	0.708	S	S	.	*	H	α-helix	trans	-71.1	-32.3	179.6	0	0	0	0	0	115	L12	G8-L12 WeakPolarHBondContact O-CB 3.29Å; G8-L12 PolarHBondContact O-N 3.09Å; G8-L12 VanDerWaalsContact O-N 3.14Å
9	Q	51.9	Low	52.4	Low	147 Å²	147	137.2 Å²	137.2	69%	0.687	69%	0.692	S	S	*	*	H	α-helix	trans	-78.4	-29.8	179	-84.1	178.3	-25.1	0	0	113.5	R13	Q9-R13 WeakPolarHBondContact O-CB 3.42Å; Q9-R13 PolarHBondContact O-N 3.27Å; Q9-R13 VanDerWaalsContact O-N 3.14Å
10	S	53.3	Low	52.3	Low	83 Å²	83	135.5 Å²	135.5	58%	0.58	68%	0.684	S	S	*	*	H	α-helix	trans	-75	-34.1	173.8	-72.2	0	0	0	0	112.3	A14	S10-A14 WeakPolarHBondContact O-CB 3.47Å; S10-A14 PolarHBondContact O-N 2.96Å
11	V	57.6	Low	52	Low	88 Å²	88	130.9 Å²	130.9	53%	0.533	67%	0.671	S	S	.	*	H	α-helix	trans	-71.1	-39.2	174.8	176.1	0	0	0	0	111	M7 A14 V15	M7-V11 WeakPolarHBondContact O-CG2 3.13Å; M7-V11 PolarHBondContact O-N 3.28Å; V11-A14 PolarHBondContact O-N 3.33Å; V11-V15 HydrophobicContact CG1-CG2 4.24Å; V11-V15 WeakPolarHBondContact O-CB 3.28Å; V11-V15 WeakPolarHBondContact O-CG2 3.21Å; V11-V15 PolarHBondContact O-N 3.32Å
12	L	56.1	Low	51.7	Low	134 Å²	134	124.9 Å²	124.9	70%	0.702	64%	0.643	S	S	*	*	H	α-helix	trans	-68.2	-37.1	177	-148	81.6	0	0	0	112.4	G8 F16	G8-L12 WeakPolarHBondContact O-CB 3.29Å; G8-L12 PolarHBondContact O-N 3.09Å; G8-L12 VanDerWaalsContact O-N 3.14Å; L12-F16 VanDerWaalsContact O-CB 3.31Å; L12-F16 WeakPolarHBondContact O-CB 3.45Å; L12-F16 PolarHBondContact O-N 2.98Å
13	R	56	Low	51.3	Low	191 Å²	191	127.2 Å²	127.2	72%	0.721	64%	0.642	S	S	*	*	H	α-helix	trans	-69.7	-40.9	171.7	-81.7	-177.8	170.4	-179.5	-2.9	112.1	Q9 V15 F16 F17	Q9-R13 WeakPolarHBondContact O-CB 3.42Å; Q9-R13 PolarHBondContact O-N 3.27Å; Q9-R13 VanDerWaalsContact O-N 3.14Å; R13-V15 VanDerWaalsContact C-N 3.35Å; R13-F16 PolarHBondContact O-N 3.03Å; R13-F17 WeakPolarHBondContact O-CB 3.25Å; R13-F17 VanDerWaalsContact O-CD2 3.31Å; R13-F17 WeakPolarHBondContact O-CD2 2.93Å; R13-F17 PolarHBondContact O-N 3.31Å
14	A	58.7	Low	51.2	Low	54 Å²	54	117.9 Å²	117.9	45%	0.446	62%	0.621	S	S	.	*	H	α-helix	trans	-63.2	-41.7	176.1	0	0	0	0	0	111.3	S10 V11 F17 L18	S10-A14 WeakPolarHBondContact O-CB 3.47Å; S10-A14 PolarHBondContact O-N 2.96Å; V11-A14 PolarHBondContact O-N 3.33Å; A14-F17 PolarHBondContact O-N 2.94Å; A14-L18 VanDerWaalsContact O-CB 3.26Å; A14-L18 WeakPolarHBondContact O-CB 3.02Å; A14-L18 PolarHBondContact O-N 3.13Å
15	V	62.2	Low	50.7	Low	79 Å²	79	115.6 Å²	115.6	48%	0.479	61%	0.61	S	S	.	*	H	α-helix	trans	-69.4	-37.2	175.6	174	0	0	0	0	111.4	V11 R13 L18 V19	V11-V15 HydrophobicContact CG1-CG2 4.24Å; V11-V15 WeakPolarHBondContact O-CB 3.28Å; V11-V15 WeakPolarHBondContact O-CG2 3.21Å; V11-V15 PolarHBondContact O-N 3.32Å; R13-V15 VanDerWaalsContact C-N 3.35Å; V15-L18 PolarHBondContact O-N 2.94Å; V15-V19 HydrophobicContact CG1-CG2 4.15Å; V15-V19 VanDerWaalsContact O-CB 3.24Å; V15-V19 WeakPolarHBondContact O-CB 3.32Å; V15-V19 WeakPolarHBondContact O-CG2 3.32Å; V15-V19 PolarHBondContact O-N 3.47Å
16	F	60.5	Low	50.2	Low	146 Å²	146	111.5 Å²	111.5	64%	0.64	61%	0.606	S	S	*	*	H	α-helix	trans	-67.7	-37.6	175	-157.7	-96.8	0	0	0	112.3	L12 R13 L20	L12-F16 VanDerWaalsContact O-CB 3.31Å; L12-F16 WeakPolarHBondContact O-CB 3.45Å; L12-F16 PolarHBondContact O-N 2.98Å; R13-F16 PolarHBondContact O-N 3.03Å; F16-L20 HydrophobicContact CD1-CD1 3.67Å; F16-L20 HydrophobicContact CE1-CD1 3.45Å; F16-L20 VanDerWaalsContact CE1-CD1 3.45Å; F16-L20 HydrophobicContact CG-CD1 4.45Å; F16-L20 HydrophobicContact CZ-CD1 4.09Å; F16-L20 WeakPolarHBondContact O-CB 3.23Å; F16-L20 WeakPolarHBondContact O-CD1 3.3Å; F16-L20 PolarHBondContact O-N 3.16Å
17	F	58.4	Low	49.8	Very low	158 Å²	158	111.4 Å²	111.4	69%	0.693	61%	0.608	S	S	*	*	H	α-helix	trans	-74.1	-29.6	171.8	-87.5	-78.9	0	0	0	113.1	R13 A14 G21	R13-F17 WeakPolarHBondContact O-CB 3.25Å; R13-F17 VanDerWaalsContact O-CD2 3.31Å; R13-F17 WeakPolarHBondContact O-CD2 2.93Å; R13-F17 PolarHBondContact O-N 3.31Å; A14-F17 PolarHBondContact O-N 2.94Å; F17-G21 WeakPolarHBondContact O-CA 3.25Å; F17-G21 PolarHBondContact O-N 3.05Å
18	L	55.9	Low	49.6	Very low	112 Å²	112	106.6 Å²	106.6	59%	0.586	60%	0.596	S	S	*	*	H	α-helix	trans	-72.8	-36.9	172.9	-139.2	103.7	0	0	0	110.9	A14 V15 G21 L22	A14-L18 VanDerWaalsContact O-CB 3.26Å; A14-L18 WeakPolarHBondContact O-CB 3.02Å; A14-L18 PolarHBondContact O-N 3.13Å; V15-L18 PolarHBondContact O-N 2.94Å; L18-G21 CarbonylContact O-C 3.59Å; L18-G21 PolarHBondContact O-N 3.13Å; L18-L22 HydrophobicContact CD2-CD1 3.79Å; L18-L22 HydrophobicContact CG-CD1 4.31Å; L18-L22 WeakPolarHBondContact O-CB 3.21Å; L18-L22 WeakPolarHBondContact O-CD1 3.23Å; L18-L22 VanDerWaalsContact O-CG 3.23Å; L18-L22 WeakPolarHBondContact O-CG 3.28Å; L18-L22 PolarHBondContact O-N 3.32Å
19	V	55.3	Low	50	Low	68 Å²	68	106.9 Å²	106.9	41%	0.412	60%	0.599	S	S	.	*	H	α-helix	trans	-73	-39	175.9	170.9	0	0	0	0	110.3	V15 G21 L23	V15-V19 HydrophobicContact CG1-CG2 4.15Å; V15-V19 VanDerWaalsContact O-CB 3.24Å; V15-V19 WeakPolarHBondContact O-CB 3.32Å; V15-V19 WeakPolarHBondContact O-CG2 3.32Å; V15-V19 PolarHBondContact O-N 3.47Å; V19-G21 VanDerWaalsContact C-N 3.34Å; V19-L23 HydrophobicContact CG1-CD1 3.63Å; V19-L23 VanDerWaalsContact O-CB 3.24Å; V19-L23 WeakPolarHBondContact O-CB 3.33Å; V19-L23 WeakPolarHBondContact O-CD1 3.49Å; V19-L23 PolarHBondContact O-N 3.37Å
20	L	50.2	Low	50.7	Low	102 Å²	102	101.3 Å²	101.3	53%	0.534	57%	0.572	S	S	.	*	H	α-helix	trans	-68.5	-28.9	167.7	-100.1	96.9	0	0	0	113.2	F16 G24	F16-L20 HydrophobicContact CD1-CD1 3.67Å; F16-L20 HydrophobicContact CE1-CD1 3.45Å; F16-L20 VanDerWaalsContact CE1-CD1 3.45Å; F16-L20 HydrophobicContact CG-CD1 4.45Å; F16-L20 HydrophobicContact CZ-CD1 4.09Å; F16-L20 WeakPolarHBondContact O-CB 3.23Å; F16-L20 WeakPolarHBondContact O-CD1 3.3Å; F16-L20 PolarHBondContact O-N 3.16Å; L20-G24 VanDerWaalsContact O-CA 3.24Å; L20-G24 WeakPolarHBondContact O-CA 3.34Å; L20-G24 PolarHBondContact O-N 3.34Å
21	G	45.8	Very low	51.7	Low	39 Å²	39	98.3 Å²	98.3	40%	0.402	55%	0.551	S	S	.	*	H	α-helix	trans	-76.8	-31.5	175	0	0	0	0	0	113.7	F17 L18 V19 H25	F17-G21 WeakPolarHBondContact O-CA 3.25Å; F17-G21 PolarHBondContact O-N 3.05Å; L18-G21 CarbonylContact O-C 3.59Å; L18-G21 PolarHBondContact O-N 3.13Å; V19-G21 VanDerWaalsContact C-N 3.34Å; G21-H25 PolarHBondContact O-ND1 2.93Å
22	L	43.9	Very low	52.8	Low	125 Å²	125	100 Å²	100	65%	0.654	56%	0.557	S	S	*	*	H	α-helix	trans	-83.9	-30.9	175.7	-75.7	162.4	0	0	0	112.3	L18 G24	L18-L22 HydrophobicContact CD2-CD1 3.79Å; L18-L22 HydrophobicContact CG-CD1 4.31Å; L18-L22 WeakPolarHBondContact O-CB 3.21Å; L18-L22 WeakPolarHBondContact O-CD1 3.23Å; L18-L22 VanDerWaalsContact O-CG 3.23Å; L18-L22 WeakPolarHBondContact O-CG 3.28Å; L18-L22 PolarHBondContact O-N 3.32Å; L22-G24 VanDerWaalsContact C-N 3.33Å
23	L	40.7	Very low	54.1	Low	143 Å²	143	97.5 Å²	97.5	75%	0.749	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-10.5	167.5	-77.8	149.3	0	0	0	113	V19	V19-L23 HydrophobicContact CG1-CD1 3.63Å; V19-L23 VanDerWaalsContact O-CB 3.24Å; V19-L23 WeakPolarHBondContact O-CB 3.33Å; V19-L23 WeakPolarHBondContact O-CD1 3.49Å; V19-L23 PolarHBondContact O-N 3.37Å
24	G	39.2	Very low	55.7	Low	47 Å²	47	88.4 Å²	88.4	49%	0.485	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	11	178.8	0	0	0	0	0	114.6	L20 L22 S26	L20-G24 VanDerWaalsContact O-CA 3.24Å; L20-G24 WeakPolarHBondContact O-CA 3.34Å; L20-G24 PolarHBondContact O-N 3.34Å; L22-G24 VanDerWaalsContact C-N 3.33Å; G24-S26 PolarHBondContact O-N 3.13Å; G24-S26 VanDerWaalsContact O-N 3.07Å
25	H	34.2	Very low	57.2	Low	143 Å²	143	87.1 Å²	87.1	66%	0.662	50%	0.5	S	S	*	.			trans	-78.5	79.1	157.1	-79.8	62.8	0	0	0	107.5	G21 H27	G21-H25 PolarHBondContact O-ND1 2.93Å; H25-H27 PolarHBondContact O-N 3.45Å
26	S	35.1	Very low	58.6	Low	107 Å²	107	83.4 Å²	83.4	75%	0.748	48%	0.478	S	S	*	.			trans	-56.5	99	157.5	54.9	0	0	0	0	106.5	G24 G28	G24-S26 PolarHBondContact O-N 3.13Å; G24-S26 VanDerWaalsContact O-N 3.07Å; S26-G28 VanDerWaalsContact C-N 3.26Å; S26-G28 PolarHBondContact O-N 3.33Å
27	H	38.6	Very low	60.2	Low	178 Å²	178	76.4 Å²	76.4	82%	0.824	45%	0.447	S	S	*	.			trans	-53.8	100.4	159.4	-76.9	-30.9	0	0	0	106	H25 G29	H25-H27 PolarHBondContact O-N 3.45Å; H27-G29 VanDerWaalsContact C-N 3.26Å; H27-G29 PolarHBondContact O-N 3Å
28	G	41.1	Very low	61.9	Low	46 Å²	46	68.9 Å²	68.9	47%	0.474	41%	0.414	S	S	.	.			trans	-59.8	96	169.7	0	0	0	0	0	107.1	S26 F30	S26-G28 VanDerWaalsContact C-N 3.26Å; S26-G28 PolarHBondContact O-N 3.33Å; G28-F30 PolarHBondContact O-N 2.89Å
29	G	55.1	Low	63.6	Low	54 Å²	54	63.7 Å²	63.7	56%	0.557	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-69.3	126.4	-178.5	0	0	0	0	0	108.9	H27	H27-G29 VanDerWaalsContact C-N 3.26Å; H27-G29 PolarHBondContact O-N 3Å
30	F	67.4	Low	65.3	Low	30 Å²	30	60.4 Å²	60.4	13%	0.132	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-52.3	133.1	166.1	-170.9	-86.2	0	0	0	108.8	G28 N32 I34 F69 F321 L324 R325 V331	G28-F30 PolarHBondContact O-N 2.89Å; F30-N32 PolarHBondContact O-N 2.91Å; F30-I34 HydrophobicContact CE1-CD1 3.92Å; F30-I34 HydrophobicContact CZ-CD1 3.99Å; F30-F69 HydrophobicContact CE1-CB 4.45Å; F30-F69 AromaticContact CE1-CD1 3.74Å; F30-F69 HydrophobicContact CE1-CD1 3.74Å; F30-F69 HydrophobicContact CE1-CE1 4.4Å; F30-F69 HydrophobicContact CE1-CG 4.29Å; F30-F69 HydrophobicContact CZ-CD1 4.4Å; F30-F321 HydrophobicContact CZ-CB 4.43Å; F30-F321 HydrophobicContact CZ-CD1 4.49Å; F30-F321 WeakPolarHBondContact CZ-O 3.44Å; F30-L324 HydrophobicContact CE2-CB 4.24Å; F30-R325 HydrophobicContact CB-CG 4.34Å; F30-R325 HydrophobicContact CD1-CB 4.17Å; F30-R325 HydrophobicContact CD1-CG 4.06Å; F30-R325 HydrophobicContact CD2-CB 3.86Å; F30-R325 HydrophobicContact CD2-CG 4.15Å; F30-R325 HydrophobicContact CE1-CB 4.07Å; F30-R325 HydrophobicContact CE1-CG 4.41Å; F30-R325 HydrophobicContact CE2-CB 3.74Å; F30-R325 HydrophobicContact CE2-CG 4.49Å; F30-R325 HydrophobicContact CG-CB 4.07Å; F30-R325 HydrophobicContact CG-CG 3.91Å; F30-R325 HydrophobicContact CZ-CB 3.85Å; F30-V331 HydrophobicContact CD2-CG2 3.98Å; F30-V331 HydrophobicContact CE2-CG2 3.61Å; F30-V331 HydrophobicContact CZ-CG2 4.09Å
31	P	73.9	Confident	67	Low	20 Å²	20	56.5 Å²	56.5	13%	0.13	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-61.3	134.6	-173.2	23.9	-33.2	0	0	0	111.5	T33 V331	P31-T33 PolarHBondContact O-N 3.36Å; P31-V331 HydrophobicContact CG-CG2 3.81Å
32	N	79.3	Confident	68.7	Low	124 Å²	124	63.9 Å²	63.9	66%	0.663	36%	0.362	S	S	*	.	S	Bend	trans	-71	-23.4	178.2	-72.6	-24.1	0	0	0	112.4	F30 H70	F30-N32 PolarHBondContact O-N 2.91Å; N32-H70 PolarHBondContact O-N 3.34Å
33	T	85.3	Confident	70.5	Confident	82 Å²	82	62.8 Å²	62.8	50%	0.503	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	129.2	178	51.5	0	0	0	0	109.9	P31 H70	P31-T33 PolarHBondContact O-N 3.36Å; T33-H70 WeakPolarHBondContact CA-O 3.28Å; T33-H70 HydrophobicContact CG2-CB 4.27Å
34	I	88.2	Confident	72.7	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	118	176.1	-57.5	-174.5	0	0	0	108	F30 F69 H70 L71 N72 Y99 F321	F30-I34 HydrophobicContact CE1-CD1 3.92Å; F30-I34 HydrophobicContact CZ-CD1 3.99Å; I34-F69 HydrophobicContact CB-CD2 4.31Å; I34-F69 HydrophobicContact CD1-CB 4.49Å; I34-F69 HydrophobicContact CD1-CD1 3.95Å; I34-F69 HydrophobicContact CD1-CD2 3.48Å; I34-F69 VanDerWaalsContact CD1-CD2 3.48Å; I34-F69 HydrophobicContact CD1-CE1 4.06Å; I34-F69 HydrophobicContact CD1-CE2 3.6Å; I34-F69 HydrophobicContact CD1-CG 3.69Å; I34-F69 HydrophobicContact CD1-CZ 3.9Å; I34-F69 HydrophobicContact CG1-CB 4.45Å; I34-F69 HydrophobicContact CG1-CD2 3.8Å; I34-F69 HydrophobicContact CG1-CE2 4.31Å; I34-F69 HydrophobicContact CG1-CG 4.08Å; I34-H70 PolarHBondContact N-O 2.85Å; I34-L71 HydrophobicContact CB-CD2 4.19Å; I34-L71 HydrophobicContact CG2-CD2 4.37Å; I34-N72 PolarHBondContact O-N 2.56Å; I34-Y99 HydrophobicContact CG2-CD2 3.8Å; I34-Y99 HydrophobicContact CG2-CG 4.09Å; I34-F321 HydrophobicContact CD1-CB 3.54Å; I34-F321 HydrophobicContact CD1-CD1 3.66Å; I34-F321 HydrophobicContact CD1-CD2 3.96Å; I34-F321 HydrophobicContact CD1-CE1 4.36Å; I34-F321 HydrophobicContact CD1-CG 3.44Å; I34-F321 VanDerWaalsContact CD1-CG 3.44Å; I34-F321 HydrophobicContact CG2-CD2 4.05Å; I34-F321 HydrophobicContact CG2-CE1 4.35Å; I34-F321 HydrophobicContact CG2-CE2 3.84Å; I34-F321 HydrophobicContact CG2-CG 4.43Å; I34-F321 HydrophobicContact CG2-CZ 4.02Å
35	S	89.8	Confident	75	Confident	26 Å²	26	56.8 Å²	56.8	18%	0.182	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	123.9	177.6	-61.3	0	0	0	0	111.1	N72 V98 Y99	S35-N72 CarbonylContact C-O 3.54Å; S35-N72 VanDerWaalsContact CA-O 3.31Å; S35-N72 WeakPolarHBondContact CA-O 3.42Å; S35-V98 WeakPolarHBondContact O-CA 3.27Å; S35-Y99 PolarHBondContact O-N 2.89Å
36	I	93.2	Very high	77.7	Confident	1 Å²	1	50 Å²	50	1%	0.005	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	141.1	174.3	59.9	172.3	0	0	0	110.8	F51 V55 L71 N72 Y73 H74 A100 I314 I317	I36-F51 HydrophobicContact CD1-CE2 3.94Å; I36-F51 HydrophobicContact CD1-CZ 3.61Å; I36-F51 HydrophobicContact CG1-CZ 4.24Å; I36-V55 HydrophobicContact CD1-CG2 4.29Å; I36-L71 HydrophobicContact CG2-CD2 4.44Å; I36-N72 WeakPolarHBondContact CG1-O 3.29Å; I36-N72 PolarHBondContact N-O 3.25Å; I36-Y73 CarbonylContact O-C 3.53Å; I36-Y73 VanDerWaalsContact O-CA 3.3Å; I36-Y73 WeakPolarHBondContact O-CA 3.28Å; I36-H74 PolarHBondContact O-N 2.86Å; I36-A100 WeakPolarHBondContact CA-O 3.4Å; I36-I314 HydrophobicContact CD1-CD1 3.77Å; I36-I317 HydrophobicContact CG2-CG2 4.19Å
37	G	93.4	Very high	80.3	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	143.9	172.3	0	0	0	0	0	110.8	H74 Q93 A100 I101 F102	G37-H74 CarbonylContact C-O 3.58Å; G37-Q93 VanDerWaalsContact CA-OE1 3.26Å; G37-A100 PolarHBondContact N-O 3.44Å; G37-I101 WeakPolarHBondContact O-CA 3.22Å; G37-F102 PolarHBondContact O-N 3.34Å
38	G	93.1	Very high	82.9	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	118.9	177.3	0	0	0	0	0	110.8	H74 V75 D76 F102	G38-H74 PolarHBondContact N-O 3.07Å; G38-V75 CarbonylContact O-C 3.58Å; G38-V75 WeakPolarHBondContact O-CA 3.42Å; G38-D76 PolarHBondContact O-N 3.21Å; G38-F102 CarbonylContact C-O 3.53Å; G38-F102 VanDerWaalsContact CA-O 3.3Å; G38-F102 WeakPolarHBondContact CA-O 3.39Å
39	L	92.8	Very high	85.3	Confident	2 Å²	2	35.9 Å²	35.9	1%	0.01	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	104.4	177.1	-63.9	178.2	0	0	0	109.1	D76 L78 A89 Q93 I101 F102 G103 F104 L113 F124	L39-D76 HydrophobicContact CD2-CB 4.27Å; L39-L78 HydrophobicContact CB-CD2 3.97Å; L39-L78 HydrophobicContact CD2-CD2 3.66Å; L39-L78 HydrophobicContact CG-CD2 4.3Å; L39-A89 HydrophobicContact CD2-CB 3.67Å; L39-Q93 HydrophobicContact CD2-CG 4.34Å; L39-I101 HydrophobicContact CD1-CG2 3.7Å; L39-I101 HydrophobicContact CG-CG2 3.87Å; L39-F102 PolarHBondContact N-O 2.91Å; L39-G103 WeakPolarHBondContact O-CA 3.34Å; L39-F104 PolarHBondContact O-N 2.92Å; L39-L113 HydrophobicContact CD1-CD2 4.26Å; L39-F124 HydrophobicContact CD1-CE2 4.2Å
40	F	91	Very high	87.1	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	139.9	-176.7	-71.3	-88.2	0	0	0	111.7	H48 F51 V75 D76 H77 L78 F102 F104	F40-H48 HydrophobicContact CD1-CB 3.77Å; F40-H48 HydrophobicContact CE1-CB 3.99Å; F40-H48 HydrophobicContact CG-CB 4.15Å; F40-F51 HydrophobicContact CE1-CB 4.17Å; F40-F51 HydrophobicContact CE2-CB 4.44Å; F40-F51 HydrophobicContact CE2-CD1 4.02Å; F40-F51 HydrophobicContact CE2-CD2 4.41Å; F40-F51 HydrophobicContact CE2-CE1 4.34Å; F40-F51 HydrophobicContact CE2-CG 4.07Å; F40-F51 HydrophobicContact CZ-CB 3.52Å; F40-F51 AromaticContact CZ-CD1 3.91Å; F40-F51 HydrophobicContact CZ-CD1 3.91Å; F40-F51 AromaticContact CZ-CD2 3.85Å; F40-F51 HydrophobicContact CZ-CD2 3.85Å; F40-F51 HydrophobicContact CZ-CE2 4.48Å; F40-F51 AromaticContact CZ-CG 3.51Å; F40-F51 HydrophobicContact CZ-CG 3.51Å; F40-V75 HydrophobicContact CD2-CG1 3.73Å; F40-V75 HydrophobicContact CD2-CG2 4.2Å; F40-V75 HydrophobicContact CE2-CG1 4.38Å; F40-V75 HydrophobicContact CE2-CG2 4.01Å; F40-D76 PolarHBondContact N-O 3.04Å; F40-D76 VanDerWaalsContact N-O 3.07Å; F40-H77 WeakPolarHBondContact O-CA 3.26Å; F40-L78 PolarHBondContact O-N 3.46Å; F40-F102 HydrophobicContact CE1-CD1 4.42Å; F40-F102 AromaticContact CE1-CE1 3.78Å; F40-F102 HydrophobicContact CE1-CE1 3.78Å; F40-F102 HydrophobicContact CE2-CD1 4.3Å; F40-F102 HydrophobicContact CE2-CE1 4.44Å; F40-F102 AromaticContact CZ-CD1 3.78Å; F40-F102 HydrophobicContact CZ-CD1 3.78Å; F40-F102 AromaticContact CZ-CE1 3.54Å; F40-F102 HydrophobicContact CZ-CE1 3.54Å; F40-F104 HydrophobicContact CD1-CD2 4.3Å; F40-F104 AromaticContact CD1-CE2 3.95Å; F40-F104 HydrophobicContact CD1-CE2 3.95Å; F40-F104 AromaticContact CE1-CE2 3.96Å; F40-F104 HydrophobicContact CE1-CE2 3.96Å
41	M	85.9	Confident	88.3	Confident	20 Å²	20	31.9 Å²	31.9	10%	0.099	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	159.2	173	-58.8	-179.1	-174.5	0	0	110	N43 T44 L78 S80 F104 Y105 D106	M41-N43 WeakPolarHBondContact CB-OD1 3.19Å; M41-N43 PolarHBondContact O-N 3.36Å; M41-T44 HydrophobicContact CB-CG2 4.09Å; M41-T44 PolarHBondContact N-OG1 3.05Å; M41-T44 VanDerWaalsContact N-OG1 3.09Å; M41-T44 PolarHBondContact O-N 3.39Å; M41-T44 PolarHBondContact O-OG1 2.93Å; M41-L78 WeakPolarHBondContact CA-O 3.46Å; M41-S80 VanDerWaalsContact SD-CB 3.54Å; M41-S80 PolarHBondContact SD-OG 2.94Å; M41-S80 VanDerWaalsContact SD-OG 3.33Å; M41-F104 HydrophobicContact CE-CB 3.48Å; M41-F104 VanDerWaalsContact CE-CB 3.48Å; M41-F104 HydrophobicContact CG-CB 4.2Å; M41-F104 HydrophobicContact SD-CB 4.17Å; M41-Y105 VanDerWaalsContact CE-C 3.42Å; M41-D106 HydrophobicContact CE-CB 4.27Å
42	R	82.1	Confident	89.2	Confident	194 Å²	194	35.2 Å²	35.2	73%	0.732	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-26.2	179	-70.1	-176.8	176.8	179.2	-0.2	113.7	L78	R42-L78 PolarHBondContact N-O 3.15Å
43	N	81.3	Confident	89.7	Confident	102 Å²	102	30.1 Å²	30.1	55%	0.545	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-14.4	178	61.3	-16.3	0	0	0	113.7	M41 V45	M41-N43 WeakPolarHBondContact CB-OD1 3.19Å; M41-N43 PolarHBondContact O-N 3.36Å; N43-V45 VanDerWaalsContact C-N 3.31Å; N43-V45 PolarHBondContact O-N 3.33Å; N43-V45 VanDerWaalsContact O-N 3.11Å
44	T	85.8	Confident	89.9	Confident	11 Å²	11	26.5 Å²	26.5	7%	0.067	12%	0.123	C	C	.	.			trans	-90.1	59.6	-176.7	56.6	0	0	0	0	112.3	M41 E47 H48 F104	M41-T44 HydrophobicContact CB-CG2 4.09Å; M41-T44 PolarHBondContact N-OG1 3.05Å; M41-T44 VanDerWaalsContact N-OG1 3.09Å; M41-T44 PolarHBondContact O-N 3.39Å; M41-T44 PolarHBondContact O-OG1 2.93Å; T44-E47 VanDerWaalsContact C-OE2 3.28Å; T44-E47 WeakPolarHBondContact CA-OE2 3.44Å; T44-E47 WeakPolarHBondContact CB-OE2 3.21Å; T44-H48 WeakPolarHBondContact O-CB 3.29Å; T44-H48 PolarHBondContact O-N 2.94Å; T44-F104 HydrophobicContact CG2-CD1 4.36Å; T44-F104 HydrophobicContact CG2-CD2 4.27Å; T44-F104 HydrophobicContact CG2-CE1 4.33Å; T44-F104 HydrophobicContact CG2-CE2 4.3Å; T44-F104 HydrophobicContact CG2-CG 4.34Å; T44-F104 HydrophobicContact CG2-CZ 4.36Å
45	V	88.6	Confident	90	Very high	52 Å²	52	26.5 Å²	26.5	32%	0.315	12%	0.124	S	C	.	.	H	α-helix	trans	-71.9	-50.1	-175.8	179.6	0	0	0	0	111.2	N43 E47 H48 S49 P296	N43-V45 VanDerWaalsContact C-N 3.31Å; N43-V45 PolarHBondContact O-N 3.33Å; N43-V45 VanDerWaalsContact O-N 3.11Å; V45-E47 VanDerWaalsContact C-N 3.34Å; V45-E47 PolarHBondContact O-N 3.19Å; V45-H48 PolarHBondContact O-N 2.97Å; V45-S49 PolarHBondContact O-N 3.3Å; V45-S49 VanDerWaalsContact O-N 3.09Å; V45-S49 PolarHBondContact O-OG 3.17Å; V45-P296 HydrophobicContact CG1-CB 3.79Å; V45-P296 HydrophobicContact CG1-CG 3.53Å
46	Q	89.9	Confident	90	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-63.9	-38.9	179.8	-162.3	-171.3	61.3	0	0	112.1	H48 S49 A50 W287 E297 P302 K304 S307	Q46-H48 VanDerWaalsContact C-N 3.33Å; Q46-H48 PolarHBondContact O-N 2.86Å; Q46-S49 WeakPolarHBondContact O-CB 3.42Å; Q46-S49 PolarHBondContact O-N 3.31Å; Q46-A50 WeakPolarHBondContact O-CB 3.4Å; Q46-A50 PolarHBondContact O-N 2.55Å; Q46-W287 HydrophobicContact CG-CZ2 3.99Å; Q46-E297 HydrophobicContact CB-CB 4.09Å; Q46-E297 HydrophobicContact CG-CB 4.12Å; Q46-E297 PolarHBondContact NE2-O 2.98Å; Q46-P302 PolarHBondContact NE2-O 3.4Å; Q46-K304 VanDerWaalsContact OE1-CB 3.25Å; Q46-S307 PolarHBondContact OE1-OG 2.82Å
47	E	91.4	Very high	89.7	Confident	12 Å²	12	31.5 Å²	31.5	6%	0.056	15%	0.145	C	C	.	.	H	α-helix	trans	-66.4	-37.2	179.7	-63.2	82.7	173.7	0	0	111.3	T44 V45 A50 F51 F104 T306	T44-E47 VanDerWaalsContact C-OE2 3.28Å; T44-E47 WeakPolarHBondContact CA-OE2 3.44Å; T44-E47 WeakPolarHBondContact CB-OE2 3.21Å; V45-E47 VanDerWaalsContact C-N 3.34Å; V45-E47 PolarHBondContact O-N 3.19Å; E47-A50 PolarHBondContact O-N 3.4Å; E47-F51 WeakPolarHBondContact O-CB 3.24Å; E47-F51 PolarHBondContact O-N 3.38Å; E47-F104 HydrophobicContact CB-CE2 4.03Å; E47-F104 HydrophobicContact CB-CZ 3.68Å; E47-F104 HydrophobicContact CG-CE1 4.34Å; E47-F104 HydrophobicContact CG-CE2 4.48Å; E47-F104 HydrophobicContact CG-CZ 3.68Å; E47-T306 WeakPolarHBondContact OE1-CB 3.41Å; E47-T306 PolarHBondContact OE1-OG1 2.95Å
48	H	92.4	Very high	89.3	Confident	20 Å²	20	32.6 Å²	32.6	9%	0.093	15%	0.15	C	C	.	.	H	α-helix	trans	-66.2	-42.3	173.3	177.3	-146.1	0	0	0	112	F40 T44 V45 Q46 A50 F51 R52 H77	F40-H48 HydrophobicContact CD1-CB 3.77Å; F40-H48 HydrophobicContact CE1-CB 3.99Å; F40-H48 HydrophobicContact CG-CB 4.15Å; T44-H48 WeakPolarHBondContact O-CB 3.29Å; T44-H48 PolarHBondContact O-N 2.94Å; V45-H48 PolarHBondContact O-N 2.97Å; Q46-H48 VanDerWaalsContact C-N 3.33Å; Q46-H48 PolarHBondContact O-N 2.86Å; H48-A50 VanDerWaalsContact C-N 3.32Å; H48-A50 PolarHBondContact O-N 3.35Å; H48-F51 PolarHBondContact O-N 2.97Å; H48-R52 VanDerWaalsContact CE1-CZ 3.44Å; H48-R52 PolarHBondContact CE1-NE 3.33Å; H48-R52 VanDerWaalsContact CE1-NE 3.34Å; H48-R52 PolarHBondContact CE1-NH2 3Å; H48-R52 VanDerWaalsContact CE1-NH2 3.29Å; H48-R52 PolarHBondContact NE2-NE 2.88Å; H48-R52 PolarHBondContact NE2-NH2 2.98Å; H48-R52 PolarHBondContact O-N 3.39Å; H48-R52 VanDerWaalsContact O-N 3.08Å; H48-H77 AromaticContact CE1-CE1 3.43Å; H48-H77 PolarHBondContact CE1-CE1 3.17Å; H48-H77 VanDerWaalsContact CE1-CE1 3.43Å; H48-H77 AromaticContact CE1-NE2 3.47Å; H48-H77 PolarHBondContact CE1-NE2 3.38Å; H48-H77 AromaticContact ND1-CE1 3.42Å; H48-H77 PolarHBondContact ND1-CE1 2.99Å; H48-H77 AromaticContact ND1-NE2 3.89Å
49	S	91.5	Very high	89	Confident	4 Å²	4	33.8 Å²	33.8	3%	0.028	16%	0.156	C	C	.	.	H	α-helix	trans	-58.3	-44.6	171.8	-64.2	0	0	0	0	111.2	V45 Q46 F51 R52 F53 P296	V45-S49 PolarHBondContact O-N 3.3Å; V45-S49 VanDerWaalsContact O-N 3.09Å; V45-S49 PolarHBondContact O-OG 3.17Å; Q46-S49 WeakPolarHBondContact O-CB 3.42Å; Q46-S49 PolarHBondContact O-N 3.31Å; S49-F51 PolarHBondContact O-N 2.87Å; S49-R52 PolarHBondContact O-N 2.85Å; S49-F53 WeakPolarHBondContact O-CB 3.23Å; S49-F53 PolarHBondContact O-N 3.49Å; S49-P296 WeakPolarHBondContact OG-CD 3.39Å; S49-P296 PolarHBondContact OG-O 2.9Å; S49-P296 VanDerWaalsContact OG-O 3.06Å
50	A	91.8	Very high	88.6	Confident	0 Å²	0	38 Å²	38	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-64.6	-39.7	179.3	0	0	0	0	0	112.2	Q46 E47 H48 F53 A54 W287	Q46-A50 WeakPolarHBondContact O-CB 3.4Å; Q46-A50 PolarHBondContact O-N 2.55Å; E47-A50 PolarHBondContact O-N 3.4Å; H48-A50 VanDerWaalsContact C-N 3.32Å; H48-A50 PolarHBondContact O-N 3.35Å; A50-F53 PolarHBondContact O-N 3.03Å; A50-A54 VanDerWaalsContact O-CB 3.28Å; A50-A54 WeakPolarHBondContact O-CB 3.27Å; A50-A54 PolarHBondContact O-N 3.47Å; A50-W287 HydrophobicContact CB-CH2 4Å; A50-W287 HydrophobicContact CB-CZ3 4.26Å
51	F	93.6	Very high	88	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-60.6	-50	174.4	175.5	-94.3	0	0	0	112.1	I36 F40 E47 H48 S49 F53 A54 V55 Y73 V75 F102 T310 I314	I36-F51 HydrophobicContact CD1-CE2 3.94Å; I36-F51 HydrophobicContact CD1-CZ 3.61Å; I36-F51 HydrophobicContact CG1-CZ 4.24Å; F40-F51 HydrophobicContact CE1-CB 4.17Å; F40-F51 HydrophobicContact CE2-CB 4.44Å; F40-F51 HydrophobicContact CE2-CD1 4.02Å; F40-F51 HydrophobicContact CE2-CD2 4.41Å; F40-F51 HydrophobicContact CE2-CE1 4.34Å; F40-F51 HydrophobicContact CE2-CG 4.07Å; F40-F51 HydrophobicContact CZ-CB 3.52Å; F40-F51 AromaticContact CZ-CD1 3.91Å; F40-F51 HydrophobicContact CZ-CD1 3.91Å; F40-F51 AromaticContact CZ-CD2 3.85Å; F40-F51 HydrophobicContact CZ-CD2 3.85Å; F40-F51 HydrophobicContact CZ-CE2 4.48Å; F40-F51 AromaticContact CZ-CG 3.51Å; F40-F51 HydrophobicContact CZ-CG 3.51Å; E47-F51 WeakPolarHBondContact O-CB 3.24Å; E47-F51 PolarHBondContact O-N 3.38Å; H48-F51 PolarHBondContact O-N 2.97Å; S49-F51 PolarHBondContact O-N 2.87Å; F51-F53 VanDerWaalsContact C-N 3.33Å; F51-F53 PolarHBondContact O-N 2.84Å; F51-A54 PolarHBondContact O-N 3.2Å; F51-V55 HydrophobicContact CE1-CG2 4.43Å; F51-V55 HydrophobicContact CZ-CG2 4.48Å; F51-V55 WeakPolarHBondContact O-CG2 3.44Å; F51-V55 PolarHBondContact O-N 2.83Å; F51-Y73 AromaticContact CE1-CD2 3.93Å; F51-Y73 HydrophobicContact CE1-CD2 3.93Å; F51-Y73 AromaticContact CE1-CG 3.84Å; F51-Y73 HydrophobicContact CE1-CG 3.84Å; F51-V75 HydrophobicContact CE1-CG2 4.11Å; F51-F102 AromaticContact CD2-CD1 3.6Å; F51-F102 HydrophobicContact CD2-CD1 3.6Å; F51-F102 AromaticContact CD2-CE1 3.92Å; F51-F102 HydrophobicContact CD2-CE1 3.92Å; F51-F102 HydrophobicContact CD2-CG 4.22Å; F51-F102 HydrophobicContact CE2-CB 4.07Å; F51-F102 AromaticContact CE2-CD1 3.67Å; F51-F102 HydrophobicContact CE2-CD1 3.67Å; F51-F102 HydrophobicContact CE2-CE1 4.45Å; F51-F102 HydrophobicContact CE2-CG 4.01Å; F51-T310 HydrophobicContact CB-CG2 3.66Å; F51-T310 HydrophobicContact CD2-CG2 4.31Å; F51-I314 HydrophobicContact CD2-CD1 3.52Å; F51-I314 HydrophobicContact CD2-CG1 3.88Å; F51-I314 HydrophobicContact CE2-CD1 3.25Å; F51-I314 HydrophobicContact CE2-CG1 4.13Å; F51-I314 HydrophobicContact CZ-CD1 4.15Å
52	R	92.1	Very high	87.1	Confident	90 Å²	90	48.7 Å²	48.7	34%	0.34	23%	0.233	S	C	.	.	H	α-helix	trans	-60.4	-45.6	178.4	-72.9	-176.2	174.2	-169.1	-3.1	111.3	H48 S49 A54 V55 Q56 Y73 F295	H48-R52 VanDerWaalsContact CE1-CZ 3.44Å; H48-R52 PolarHBondContact CE1-NE 3.33Å; H48-R52 VanDerWaalsContact CE1-NE 3.34Å; H48-R52 PolarHBondContact CE1-NH2 3Å; H48-R52 VanDerWaalsContact CE1-NH2 3.29Å; H48-R52 PolarHBondContact NE2-NE 2.88Å; H48-R52 PolarHBondContact NE2-NH2 2.98Å; H48-R52 PolarHBondContact O-N 3.39Å; H48-R52 VanDerWaalsContact O-N 3.08Å; S49-R52 PolarHBondContact O-N 2.85Å; R52-A54 PolarHBondContact O-N 3.37Å; R52-V55 PolarHBondContact O-N 3.01Å; R52-Q56 WeakPolarHBondContact O-CB 3.18Å; R52-Q56 PolarHBondContact O-N 3.5Å; R52-Y73 HydrophobicContact CG-CE2 4.21Å; R52-F295 HydrophobicContact CB-CE1 3.91Å
53	F	90.6	Very high	86.7	Confident	17 Å²	17	42.7 Å²	42.7	8%	0.075	22%	0.216	C	C	.	.	H	α-helix	trans	-64	-40.5	179	-177.9	-119.2	0	0	0	112	S49 A50 F51 V55 Q56 L57 F283 R286 W287 L290 F295	S49-F53 WeakPolarHBondContact O-CB 3.23Å; S49-F53 PolarHBondContact O-N 3.49Å; A50-F53 PolarHBondContact O-N 3.03Å; F51-F53 VanDerWaalsContact C-N 3.33Å; F51-F53 PolarHBondContact O-N 2.84Å; F53-V55 PolarHBondContact O-N 3.49Å; F53-Q56 PolarHBondContact O-N 3.47Å; F53-L57 WeakPolarHBondContact O-CB 3.47Å; F53-L57 PolarHBondContact O-N 2.96Å; F53-F283 AromaticContact CD1-CE2 3.58Å; F53-F283 HydrophobicContact CD1-CE2 3.58Å; F53-F283 AromaticContact CD1-CZ 3.72Å; F53-F283 HydrophobicContact CD1-CZ 3.72Å; F53-F283 HydrophobicContact CE1-CD2 4.03Å; F53-F283 AromaticContact CE1-CE2 3.47Å; F53-F283 HydrophobicContact CE1-CE2 3.47Å; F53-F283 VanDerWaalsContact CE1-CE2 3.47Å; F53-F283 AromaticContact CE1-CZ 3.88Å; F53-F283 HydrophobicContact CE1-CZ 3.88Å; F53-R286 HydrophobicContact CZ-CB 4.05Å; F53-W287 HydrophobicContact CB-CE3 4.43Å; F53-W287 HydrophobicContact CB-CZ3 3.9Å; F53-W287 AromaticContact CD1-CE3 3.65Å; F53-W287 HydrophobicContact CD1-CE3 3.65Å; F53-W287 AromaticContact CD1-CZ3 3.95Å; F53-W287 HydrophobicContact CD1-CZ3 3.95Å; F53-W287 HydrophobicContact CE1-CE3 4.18Å; F53-W287 HydrophobicContact CG-CE3 4.17Å; F53-W287 HydrophobicContact CG-CZ3 4.14Å; F53-L290 HydrophobicContact CB-CD1 4.41Å; F53-L290 HydrophobicContact CD1-CD1 4.24Å; F53-L290 HydrophobicContact CD2-CD1 3.57Å; F53-L290 HydrophobicContact CD2-CD2 3.97Å; F53-L290 HydrophobicContact CD2-CG 4.36Å; F53-L290 HydrophobicContact CE1-CD1 4.43Å; F53-L290 HydrophobicContact CE2-CD1 3.82Å; F53-L290 HydrophobicContact CE2-CD2 3.76Å; F53-L290 HydrophobicContact CE2-CG 4.23Å; F53-L290 HydrophobicContact CG-CD1 3.81Å; F53-L290 HydrophobicContact CZ-CD1 4.23Å; F53-F295 HydrophobicContact CB-CD1 4.36Å; F53-F295 HydrophobicContact CB-CE1 3.9Å
54	A	90.2	Very high	85.8	Confident	5 Å²	5	43.5 Å²	43.5	4%	0.041	22%	0.224	C	C	.	.	H	α-helix	trans	-62.4	-41.8	176.1	0	0	0	0	0	112.2	A50 F51 R52 L57 Y58 H311 I314	A50-A54 VanDerWaalsContact O-CB 3.28Å; A50-A54 WeakPolarHBondContact O-CB 3.27Å; A50-A54 PolarHBondContact O-N 3.47Å; F51-A54 PolarHBondContact O-N 3.2Å; R52-A54 PolarHBondContact O-N 3.37Å; A54-L57 PolarHBondContact O-N 2.75Å; A54-Y58 PolarHBondContact O-N 3.07Å; A54-H311 HydrophobicContact CB-CB 4.28Å; A54-I314 HydrophobicContact CB-CB 4.06Å; A54-I314 HydrophobicContact CB-CG1 4.14Å; A54-I314 HydrophobicContact CB-CG2 4.15Å
55	V	90.4	Very high	84.8	Confident	1 Å²	1	47.6 Å²	47.6	1%	0.006	25%	0.25	C	C	.	.	H	α-helix	trans	-66.3	-40.8	175.4	176.7	0	0	0	0	111.3	I36 F51 R52 F53 Y58 N59 L71 Y73 I314	I36-V55 HydrophobicContact CD1-CG2 4.29Å; F51-V55 HydrophobicContact CE1-CG2 4.43Å; F51-V55 HydrophobicContact CZ-CG2 4.48Å; F51-V55 WeakPolarHBondContact O-CG2 3.44Å; F51-V55 PolarHBondContact O-N 2.83Å; R52-V55 PolarHBondContact O-N 3.01Å; F53-V55 PolarHBondContact O-N 3.49Å; V55-Y58 PolarHBondContact O-N 2.83Å; V55-N59 WeakPolarHBondContact CG1-ND2 3.41Å; V55-N59 WeakPolarHBondContact O-CB 3.47Å; V55-N59 PolarHBondContact O-N 3.46Å; V55-N59 PolarHBondContact O-ND2 3.48Å; V55-L71 HydrophobicContact CG1-CB 4.01Å; V55-Y73 HydrophobicContact CB-CD1 4.23Å; V55-Y73 HydrophobicContact CB-CE1 4.43Å; V55-Y73 HydrophobicContact CG1-CD1 3.8Å; V55-Y73 HydrophobicContact CG1-CE1 4.16Å; V55-Y73 HydrophobicContact CG2-CD1 4.31Å; V55-I314 HydrophobicContact CG2-CD1 4.22Å; V55-I314 HydrophobicContact CG2-CG1 4.41Å; V55-I314 HydrophobicContact CG2-CG2 4.09Å
56	Q	88.3	Confident	83.7	Confident	84 Å²	84	49.2 Å²	49.2	39%	0.393	25%	0.254	S	S	.	.	H	α-helix	trans	-62.8	-42.8	174.9	-172.9	178.5	3.9	0	0	111.6	R52 F53 Y58 N59 T60	R52-Q56 WeakPolarHBondContact O-CB 3.18Å; R52-Q56 PolarHBondContact O-N 3.5Å; F53-Q56 PolarHBondContact O-N 3.47Å; Q56-Y58 VanDerWaalsContact C-N 3.33Å; Q56-Y58 PolarHBondContact O-N 3.41Å; Q56-N59 PolarHBondContact O-N 3.36Å; Q56-T60 HydrophobicContact CG-CG2 4.15Å; Q56-T60 WeakPolarHBondContact O-CB 3.43Å; Q56-T60 VanDerWaalsContact O-CG2 3.24Å; Q56-T60 WeakPolarHBondContact O-CG2 3.24Å; Q56-T60 PolarHBondContact O-N 2.92Å; Q56-T60 PolarHBondContact O-OG1 3.4Å
57	L	86.6	Confident	82.9	Confident	48 Å²	48	52.4 Å²	52.4	25%	0.251	27%	0.268	S	S	.	.	H	α-helix	trans	-61	-42.1	177.3	-174.4	66.8	0	0	0	111.6	F53 A54 T60 N61	F53-L57 WeakPolarHBondContact O-CB 3.47Å; F53-L57 PolarHBondContact O-N 2.96Å; A54-L57 PolarHBondContact O-N 2.75Å; L57-T60 PolarHBondContact O-OG1 3.27Å; L57-N61 PolarHBondContact O-N 2.82Å
58	Y	86.6	Confident	82.2	Confident	23 Å²	23	53.1 Å²	53.1	9%	0.09	27%	0.273	C	S	.	.	H	α-helix	trans	-64.9	-48.3	174.7	176.4	-96.8	0	0	0	112	A54 V55 Q56 T60 N61 F69 L71 A318	A54-Y58 PolarHBondContact O-N 3.07Å; V55-Y58 PolarHBondContact O-N 2.83Å; Q56-Y58 VanDerWaalsContact C-N 3.33Å; Q56-Y58 PolarHBondContact O-N 3.41Å; Y58-T60 VanDerWaalsContact C-N 3.31Å; Y58-T60 PolarHBondContact O-N 2.86Å; Y58-N61 WeakPolarHBondContact O-CB 3.31Å; Y58-N61 PolarHBondContact O-N 3.28Å; Y58-F69 HydrophobicContact CE1-CD2 4.31Å; Y58-F69 HydrophobicContact CE1-CE2 4.02Å; Y58-F69 WeakPolarHBondContact CE1-O 3.47Å; Y58-F69 AromaticContact CZ-CE2 3.87Å; Y58-F69 WeakPolarHBondContact OH-CE2 3.27Å; Y58-F69 VanDerWaalsContact OH-CZ 3.24Å; Y58-F69 WeakPolarHBondContact OH-CZ 3.42Å; Y58-F69 PolarHBondContact OH-O 2.86Å; Y58-L71 HydrophobicContact CD1-CB 4.21Å; Y58-L71 HydrophobicContact CD1-CD1 3.46Å; Y58-L71 VanDerWaalsContact CD1-CD1 3.46Å; Y58-L71 HydrophobicContact CD1-CG 3.75Å; Y58-L71 HydrophobicContact CE1-CB 4.43Å; Y58-L71 HydrophobicContact CE1-CD1 3.77Å; Y58-L71 HydrophobicContact CE1-CG 3.7Å; Y58-L71 HydrophobicContact CG-CD1 3.93Å; Y58-A318 HydrophobicContact CD2-CB 3.88Å; Y58-A318 HydrophobicContact CE2-CB 3.68Å
59	N	87.1	Confident	81.8	Confident	24 Å²	24	52.4 Å²	52.4	13%	0.128	27%	0.27	C	S	.	.	H	α-helix	trans	-69.8	-26.8	-176.3	-74.2	-28.6	0	0	0	113.3	V55 Q56 K67 H70 L71	V55-N59 WeakPolarHBondContact CG1-ND2 3.41Å; V55-N59 WeakPolarHBondContact O-CB 3.47Å; V55-N59 PolarHBondContact O-N 3.46Å; V55-N59 PolarHBondContact O-ND2 3.48Å; Q56-N59 PolarHBondContact O-N 3.36Å; N59-K67 WeakPolarHBondContact O-CE 3.43Å; N59-K67 PolarHBondContact O-NZ 3.29Å; N59-H70 VanDerWaalsContact CG-CE1 3.45Å; N59-H70 PolarHBondContact ND2-CE1 2.96Å; N59-L71 PolarHBondContact ND2-O 3.39Å; N59-L71 PolarHBondContact OD1-N 3.34Å
60	T	82.7	Confident	81.6	Confident	90 Å²	90	56.1 Å²	56.1	55%	0.552	29%	0.287	S	S	*	.	H	α-helix	trans	-85.6	-7.5	178.1	52.7	0	0	0	0	113.6	Q56 L57 Y58 Q62	Q56-T60 HydrophobicContact CG-CG2 4.15Å; Q56-T60 WeakPolarHBondContact O-CB 3.43Å; Q56-T60 VanDerWaalsContact O-CG2 3.24Å; Q56-T60 WeakPolarHBondContact O-CG2 3.24Å; Q56-T60 PolarHBondContact O-N 2.92Å; Q56-T60 PolarHBondContact O-OG1 3.4Å; L57-T60 PolarHBondContact O-OG1 3.27Å; Y58-T60 VanDerWaalsContact C-N 3.31Å; Y58-T60 PolarHBondContact O-N 2.86Å; T60-Q62 PolarHBondContact O-N 3.05Å
61	N	79.5	Confident	81.4	Confident	60 Å²	60	56.2 Å²	56.2	32%	0.321	29%	0.287	S	S	.	.			trans	-63.5	126.2	177.5	-166	-10.2	0	0	0	110.7	L57 Y58 N63 E66	L57-N61 PolarHBondContact O-N 2.82Å; Y58-N61 WeakPolarHBondContact O-CB 3.31Å; Y58-N61 PolarHBondContact O-N 3.28Å; N61-N63 VanDerWaalsContact C-N 3.34Å; N61-N63 PolarHBondContact OD1-N 3.11Å; N61-E66 PolarHBondContact ND2-OE2 3.26Å
62	Q	65.9	Low	81.4	Confident	186 Å²	186	59.6 Å²	59.6	87%	0.869	31%	0.305	S	S	*	.			trans	-79.6	-17.8	-174.1	-65.9	-179.3	-4.2	0	0	112.6	T60 T64	T60-Q62 PolarHBondContact O-N 3.05Å; Q62-T64 PolarHBondContact O-N 3.46Å
63	N	74.8	Confident	81.4	Confident	68 Å²	68	58.9 Å²	58.9	36%	0.364	30%	0.303	S	S	.	.			trans	-77.5	110	-175.9	-164.8	3.6	0	0	0	111.7	N61 T65 E66 K67	N61-N63 VanDerWaalsContact C-N 3.34Å; N61-N63 PolarHBondContact OD1-N 3.11Å; N63-T65 PolarHBondContact ND2-OG1 2.86Å; N63-T65 PolarHBondContact O-N 2.86Å; N63-T65 PolarHBondContact OD1-OG1 2.7Å; N63-E66 HydrophobicContact CB-CB 4.14Å; N63-E66 HydrophobicContact CB-CG 4.25Å; N63-E66 VanDerWaalsContact ND2-CD 3.32Å; N63-E66 PolarHBondContact ND2-OE1 3.01Å; N63-E66 PolarHBondContact O-N 2.73Å; N63-K67 PolarHBondContact O-N 3.48Å
64	T	62.6	Low	81.5	Confident	118 Å²	118	60.8 Å²	60.8	72%	0.724	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-24.6	-174.5	-39.4	0	0	0	0	113.2	Q62 K67	Q62-T64 PolarHBondContact O-N 3.46Å; T64-K67 CarbonylContact O-C 3.43Å
65	T	64.8	Low	81.6	Confident	98 Å²	98	62 Å²	62	60%	0.601	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-29.1	174.2	52.7	0	0	0	0	112.9	N63	N63-T65 PolarHBondContact ND2-OG1 2.86Å; N63-T65 PolarHBondContact O-N 2.86Å; N63-T65 PolarHBondContact OD1-OG1 2.7Å
66	E	65.8	Low	81.5	Confident	85 Å²	85	63.5 Å²	63.5	40%	0.397	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-26.6	177.4	-70.3	171.2	-158.6	0	0	111.8	N61 N63 P68 R322	N61-E66 PolarHBondContact ND2-OE2 3.26Å; N63-E66 HydrophobicContact CB-CB 4.14Å; N63-E66 HydrophobicContact CB-CG 4.25Å; N63-E66 VanDerWaalsContact ND2-CD 3.32Å; N63-E66 PolarHBondContact ND2-OE1 3.01Å; N63-E66 PolarHBondContact O-N 2.73Å; E66-P68 WeakPolarHBondContact O-CD 3.44Å; E66-R322 PolarHBondContact O-NE 3.15Å; E66-R322 PolarHBondContact O-NH2 3.13Å
67	K	72.6	Confident	81.5	Confident	68 Å²	68	64.5 Å²	64.5	30%	0.296	33%	0.331	S	S	.	.			trans	-113.9	76.4	174.6	-173.7	-167.2	166.5	179.9	0	112	N59 N63 T64	N59-K67 WeakPolarHBondContact O-CE 3.43Å; N59-K67 PolarHBondContact O-NZ 3.29Å; N63-K67 PolarHBondContact O-N 3.48Å; T64-K67 CarbonylContact O-C 3.43Å
68	P	75.6	Confident	81.4	Confident	26 Å²	26	62.5 Å²	62.5	17%	0.169	32%	0.321	C	S	.	.	S	Bend	trans	-72.2	-30.7	173.8	20.7	-24.9	0	0	0	113.3	E66 R322 R325	E66-P68 WeakPolarHBondContact O-CD 3.44Å; P68-R322 HydrophobicContact CG-CG 4.25Å; P68-R325 VanDerWaalsContact CB-CZ 3.48Å; P68-R325 PolarHBondContact O-NH1 2.75Å
69	F	84.5	Confident	80.9	Confident	5 Å²	5	65 Å²	65	2%	0.022	34%	0.336	C	S	.	.	S	Bend	trans	-138.7	165	-175.2	54.6	-97.7	0	0	0	110.8	F30 I34 Y58 L71 F321	F30-F69 HydrophobicContact CE1-CB 4.45Å; F30-F69 AromaticContact CE1-CD1 3.74Å; F30-F69 HydrophobicContact CE1-CD1 3.74Å; F30-F69 HydrophobicContact CE1-CE1 4.4Å; F30-F69 HydrophobicContact CE1-CG 4.29Å; F30-F69 HydrophobicContact CZ-CD1 4.4Å; I34-F69 HydrophobicContact CB-CD2 4.31Å; I34-F69 HydrophobicContact CD1-CB 4.49Å; I34-F69 HydrophobicContact CD1-CD1 3.95Å; I34-F69 HydrophobicContact CD1-CD2 3.48Å; I34-F69 VanDerWaalsContact CD1-CD2 3.48Å; I34-F69 HydrophobicContact CD1-CE1 4.06Å; I34-F69 HydrophobicContact CD1-CE2 3.6Å; I34-F69 HydrophobicContact CD1-CG 3.69Å; I34-F69 HydrophobicContact CD1-CZ 3.9Å; I34-F69 HydrophobicContact CG1-CB 4.45Å; I34-F69 HydrophobicContact CG1-CD2 3.8Å; I34-F69 HydrophobicContact CG1-CE2 4.31Å; I34-F69 HydrophobicContact CG1-CG 4.08Å; Y58-F69 HydrophobicContact CE1-CD2 4.31Å; Y58-F69 HydrophobicContact CE1-CE2 4.02Å; Y58-F69 WeakPolarHBondContact CE1-O 3.47Å; Y58-F69 AromaticContact CZ-CE2 3.87Å; Y58-F69 WeakPolarHBondContact OH-CE2 3.27Å; Y58-F69 VanDerWaalsContact OH-CZ 3.24Å; Y58-F69 WeakPolarHBondContact OH-CZ 3.42Å; Y58-F69 PolarHBondContact OH-O 2.86Å; F69-L71 HydrophobicContact CD2-CD2 4.33Å; F69-L71 HydrophobicContact CD2-CG 4.45Å; F69-L71 HydrophobicContact CE2-CD2 3.79Å; F69-L71 HydrophobicContact CE2-CG 4.02Å; F69-F321 HydrophobicContact CE1-CB 3.66Å; F69-F321 HydrophobicContact CE2-CB 4.19Å; F69-F321 HydrophobicContact CZ-CB 3.4Å; F69-F321 VanDerWaalsContact CZ-CB 3.4Å
70	H	87.3	Confident	79.9	Confident	82 Å²	82	64.7 Å²	64.7	38%	0.38	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	134.2	175.3	-161.6	-75.6	0	0	0	111	N32 T33 I34 N59	N32-H70 PolarHBondContact O-N 3.34Å; T33-H70 WeakPolarHBondContact CA-O 3.28Å; T33-H70 HydrophobicContact CG2-CB 4.27Å; I34-H70 PolarHBondContact N-O 2.85Å; N59-H70 VanDerWaalsContact CG-CE1 3.45Å; N59-H70 PolarHBondContact ND2-CE1 2.96Å
71	L	88.9	Confident	79.3	Confident	2 Å²	2	64 Å²	64	1%	0.01	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	123.6	171.9	-73.3	173.9	0	0	0	109.4	I34 I36 V55 Y58 N59 F69 I314 A318	I34-L71 HydrophobicContact CB-CD2 4.19Å; I34-L71 HydrophobicContact CG2-CD2 4.37Å; I36-L71 HydrophobicContact CG2-CD2 4.44Å; V55-L71 HydrophobicContact CG1-CB 4.01Å; Y58-L71 HydrophobicContact CD1-CB 4.21Å; Y58-L71 HydrophobicContact CD1-CD1 3.46Å; Y58-L71 VanDerWaalsContact CD1-CD1 3.46Å; Y58-L71 HydrophobicContact CD1-CG 3.75Å; Y58-L71 HydrophobicContact CE1-CB 4.43Å; Y58-L71 HydrophobicContact CE1-CD1 3.77Å; Y58-L71 HydrophobicContact CE1-CG 3.7Å; Y58-L71 HydrophobicContact CG-CD1 3.93Å; N59-L71 PolarHBondContact ND2-O 3.39Å; N59-L71 PolarHBondContact OD1-N 3.34Å; F69-L71 HydrophobicContact CD2-CD2 4.33Å; F69-L71 HydrophobicContact CD2-CG 4.45Å; F69-L71 HydrophobicContact CE2-CD2 3.79Å; F69-L71 HydrophobicContact CE2-CG 4.02Å; L71-I314 HydrophobicContact CD1-CG2 4.26Å; L71-A318 HydrophobicContact CD1-CB 4.3Å
72	N	91.7	Very high	79.4	Confident	71 Å²	71	65 Å²	65	38%	0.38	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	146.4	169.6	-171.9	25.3	0	0	0	108.8	I34 S35 I36	I34-N72 PolarHBondContact O-N 2.56Å; S35-N72 CarbonylContact C-O 3.54Å; S35-N72 VanDerWaalsContact CA-O 3.31Å; S35-N72 WeakPolarHBondContact CA-O 3.42Å; I36-N72 WeakPolarHBondContact CG1-O 3.29Å; I36-N72 PolarHBondContact N-O 3.25Å
73	Y	92.4	Very high	80.4	Confident	75 Å²	75	57.9 Å²	57.9	29%	0.294	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	146.6	-176.5	64.7	-93.3	0	0	0	112.8	I36 F51 R52 V55 V75	I36-Y73 CarbonylContact O-C 3.53Å; I36-Y73 VanDerWaalsContact O-CA 3.3Å; I36-Y73 WeakPolarHBondContact O-CA 3.28Å; F51-Y73 AromaticContact CE1-CD2 3.93Å; F51-Y73 HydrophobicContact CE1-CD2 3.93Å; F51-Y73 AromaticContact CE1-CG 3.84Å; F51-Y73 HydrophobicContact CE1-CG 3.84Å; R52-Y73 HydrophobicContact CG-CE2 4.21Å; V55-Y73 HydrophobicContact CB-CD1 4.23Å; V55-Y73 HydrophobicContact CB-CE1 4.43Å; V55-Y73 HydrophobicContact CG1-CD1 3.8Å; V55-Y73 HydrophobicContact CG1-CE1 4.16Å; V55-Y73 HydrophobicContact CG2-CD1 4.31Å; Y73-V75 HydrophobicContact CD2-CG2 3.82Å; Y73-V75 HydrophobicContact CE2-CG2 4.25Å
74	H	93.1	Very high	81	Confident	58 Å²	58	61.8 Å²	61.8	27%	0.269	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	117.9	172.5	-65.1	-64.3	0	0	0	109.3	I36 G37 G38 Q93	I36-H74 PolarHBondContact O-N 2.86Å; G37-H74 CarbonylContact C-O 3.58Å; G38-H74 PolarHBondContact N-O 3.07Å; H74-Q93 PolarHBondContact O-NE2 3.28Å
75	V	91.6	Very high	82.2	Confident	31 Å²	31	58.1 Å²	58.1	19%	0.188	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	131.3	-177.3	169.6	0	0	0	0	110.5	G38 F40 F51 Y73	G38-V75 CarbonylContact O-C 3.58Å; G38-V75 WeakPolarHBondContact O-CA 3.42Å; F40-V75 HydrophobicContact CD2-CG1 3.73Å; F40-V75 HydrophobicContact CD2-CG2 4.2Å; F40-V75 HydrophobicContact CE2-CG1 4.38Å; F40-V75 HydrophobicContact CE2-CG2 4.01Å; F51-V75 HydrophobicContact CE1-CG2 4.11Å; Y73-V75 HydrophobicContact CD2-CG2 3.82Å; Y73-V75 HydrophobicContact CE2-CG2 4.25Å
76	D	90	Very high	83.4	Confident	31 Å²	31	53.7 Å²	53.7	17%	0.166	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	131.7	167.3	-64.9	-36.9	0	0	0	109.6	G38 L39 F40 A89 Q93 R96	G38-D76 PolarHBondContact O-N 3.21Å; L39-D76 HydrophobicContact CD2-CB 4.27Å; F40-D76 PolarHBondContact N-O 3.04Å; F40-D76 VanDerWaalsContact N-O 3.07Å; D76-A89 HydrophobicContact CB-CB 4.3Å; D76-Q93 PolarHBondContact OD2-NE2 3.24Å; D76-R96 IonicContact OD1-NH2 3.91Å
77	H	86.9	Confident	84.6	Confident	105 Å²	105	51.1 Å²	51.1	49%	0.486	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	120.7	175.7	-69.2	-67.7	0	0	0	110	F40 H48	F40-H77 WeakPolarHBondContact O-CA 3.26Å; H48-H77 AromaticContact CE1-CE1 3.43Å; H48-H77 PolarHBondContact CE1-CE1 3.17Å; H48-H77 VanDerWaalsContact CE1-CE1 3.43Å; H48-H77 AromaticContact CE1-NE2 3.47Å; H48-H77 PolarHBondContact CE1-NE2 3.38Å; H48-H77 AromaticContact ND1-CE1 3.42Å; H48-H77 PolarHBondContact ND1-CE1 2.99Å; H48-H77 AromaticContact ND1-NE2 3.89Å
78	L	84.8	Confident	85.5	Confident	6 Å²	6	52.8 Å²	52.8	3%	0.031	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	163.9	-171.7	58.9	91	0	0	0	113	L39 F40 M41 R42 V86 A89	L39-L78 HydrophobicContact CB-CD2 3.97Å; L39-L78 HydrophobicContact CD2-CD2 3.66Å; L39-L78 HydrophobicContact CG-CD2 4.3Å; F40-L78 PolarHBondContact O-N 3.46Å; M41-L78 WeakPolarHBondContact CA-O 3.46Å; R42-L78 PolarHBondContact N-O 3.15Å; L78-V86 HydrophobicContact CD1-CG2 3.89Å; L78-A89 HydrophobicContact CD2-CB 3.85Å
79	D	76.8	Confident	86.2	Confident	76 Å²	76	52 Å²	52	41%	0.406	28%	0.275	S	S	.	.			trans	-98	115.8	169.4	-164	-28.4	0	0	0	107.9	S81 N82	D79-S81 VanDerWaalsContact C-N 3.26Å; D79-S81 PolarHBondContact O-N 3.38Å; D79-S81 PolarHBondContact OD1-N 2.85Å; D79-S81 PolarHBondContact OD1-OG 3.01Å; D79-N82 PolarHBondContact O-N 3.13Å
80	S	66.6	Low	86.5	Confident	18 Å²	18	51.8 Å²	51.8	13%	0.126	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-21.4	-172.2	49.6	0	0	0	0	113.9	M41 N82 S109	M41-S80 VanDerWaalsContact SD-CB 3.54Å; M41-S80 PolarHBondContact SD-OG 2.94Å; M41-S80 VanDerWaalsContact SD-OG 3.33Å; S80-N82 PolarHBondContact O-N 3.38Å; S80-S109 PolarHBondContact O-OG 3.13Å
81	S	69.3	Low	86.7	Confident	76 Å²	76	48.7 Å²	48.7	53%	0.531	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-24.8	177.4	63.6	0	0	0	0	112.4	D79	D79-S81 VanDerWaalsContact C-N 3.26Å; D79-S81 PolarHBondContact O-N 3.38Å; D79-S81 PolarHBondContact OD1-N 2.85Å; D79-S81 PolarHBondContact OD1-OG 3.01Å
82	N	82.4	Confident	86.8	Confident	81 Å²	81	50 Å²	50	43%	0.433	27%	0.271	S	S	.	.			trans	-101.9	96.9	-178.4	-170.7	-8.7	0	0	0	111.6	D79 S80 F84 S85 V86	D79-N82 PolarHBondContact O-N 3.13Å; S80-N82 PolarHBondContact O-N 3.38Å; N82-F84 PolarHBondContact O-N 3.42Å; N82-F84 VanDerWaalsContact O-N 3.07Å; N82-F84 VanDerWaalsContact OD1-CB 3.29Å; N82-F84 WeakPolarHBondContact OD1-CB 3.45Å; N82-F84 PolarHBondContact OD1-N 3.1Å; N82-S85 WeakPolarHBondContact O-CB 3.38Å; N82-S85 PolarHBondContact O-N 3.41Å; N82-V86 PolarHBondContact O-N 3.29Å
83	S	85.9	Confident	86.7	Confident	36 Å²	36	46.7 Å²	46.7	25%	0.252	25%	0.253	S	S	.	.	H	α-helix	trans	-53.5	-28.1	175.7	-65.9	0	0	0	0	113.9	T87 M108	S83-T87 WeakPolarHBondContact O-CB 3.31Å; S83-T87 PolarHBondContact O-N 3.46Å; S83-T87 PolarHBondContact O-OG1 2.88Å; S83-M108 PolarHBondContact OG-O 3.49Å
84	F	87.9	Confident	86.6	Confident	150 Å²	150	43.3 Å²	43.3	66%	0.658	24%	0.24	S	C	*	.	H	α-helix	trans	-69.3	-41.4	175.1	-179.6	-99.6	0	0	0	112.1	N82 V86 T87 N88	N82-F84 PolarHBondContact O-N 3.42Å; N82-F84 VanDerWaalsContact O-N 3.07Å; N82-F84 VanDerWaalsContact OD1-CB 3.29Å; N82-F84 WeakPolarHBondContact OD1-CB 3.45Å; N82-F84 PolarHBondContact OD1-N 3.1Å; F84-V86 VanDerWaalsContact C-N 3.3Å; F84-V86 PolarHBondContact O-N 3.15Å; F84-T87 WeakPolarHBondContact O-CB 3.48Å; F84-T87 PolarHBondContact O-N 3.3Å; F84-N88 PolarHBondContact O-N 3.03Å
85	S	87.9	Confident	86.3	Confident	41 Å²	41	43.1 Å²	43.1	29%	0.287	25%	0.245	S	C	.	.	H	α-helix	trans	-63.7	-39.7	176.3	-170.9	0	0	0	0	111.2	N82 T87 N88 A89	N82-S85 WeakPolarHBondContact O-CB 3.38Å; N82-S85 PolarHBondContact O-N 3.41Å; S85-T87 VanDerWaalsContact C-N 3.34Å; S85-N88 PolarHBondContact O-N 3.09Å; S85-A89 WeakPolarHBondContact O-CB 3.3Å; S85-A89 PolarHBondContact O-N 3.4Å
86	V	89.9	Confident	86.1	Confident	4 Å²	4	47.8 Å²	47.8	2%	0.024	26%	0.259	C	S	.	.	H	α-helix	trans	-62.7	-43.5	175	176.1	0	0	0	0	110.5	L78 N82 F84 A89 F90 L113	L78-V86 HydrophobicContact CD1-CG2 3.89Å; N82-V86 PolarHBondContact O-N 3.29Å; F84-V86 VanDerWaalsContact C-N 3.3Å; F84-V86 PolarHBondContact O-N 3.15Å; V86-A89 PolarHBondContact O-N 2.96Å; V86-F90 WeakPolarHBondContact O-CB 3.47Å; V86-F90 PolarHBondContact O-N 3.36Å; V86-L113 HydrophobicContact CG1-CD1 3.82Å; V86-L113 HydrophobicContact CG1-CD2 3.67Å; V86-L113 HydrophobicContact CG1-CG 3.6Å
87	T	90.5	Very high	85.9	Confident	31 Å²	31	47 Å²	47	19%	0.19	26%	0.259	C	S	.	.	H	α-helix	trans	-60.5	-49.2	177.5	-57.6	0	0	0	0	111.5	S83 F84 S85 A89 F90 C91 T112 F116	S83-T87 WeakPolarHBondContact O-CB 3.31Å; S83-T87 PolarHBondContact O-N 3.46Å; S83-T87 PolarHBondContact O-OG1 2.88Å; F84-T87 WeakPolarHBondContact O-CB 3.48Å; F84-T87 PolarHBondContact O-N 3.3Å; S85-T87 VanDerWaalsContact C-N 3.34Å; T87-A89 PolarHBondContact O-N 3.3Å; T87-F90 PolarHBondContact O-N 2.92Å; T87-C91 WeakPolarHBondContact O-CB 3.34Å; T87-C91 PolarHBondContact O-N 3.16Å; T87-C91 PolarHBondContact O-SG 2.99Å; T87-T112 WeakPolarHBondContact OG1-CG2 3.24Å; T87-F116 HydrophobicContact CG2-CE2 3.67Å; T87-F116 HydrophobicContact CG2-CZ 3.6Å
88	N	90.6	Very high	86.1	Confident	103 Å²	103	42.1 Å²	42.1	55%	0.551	24%	0.236	S	C	*	.	H	α-helix	trans	-62.8	-42.2	179.3	-171.1	26.4	0	0	0	112.1	F84 S85 C91 S92	F84-N88 PolarHBondContact O-N 3.03Å; S85-N88 PolarHBondContact O-N 3.09Å; N88-C91 PolarHBondContact O-N 3.16Å; N88-S92 WeakPolarHBondContact O-CB 3.43Å; N88-S92 PolarHBondContact O-N 2.85Å
89	A	90.6	Very high	86.3	Confident	11 Å²	11	43.1 Å²	43.1	9%	0.091	24%	0.24	C	C	.	.	H	α-helix	trans	-64.2	-43.5	176	0	0	0	0	0	111.7	L39 D76 L78 S85 V86 T87 C91 S92 Q93	L39-A89 HydrophobicContact CD2-CB 3.67Å; D76-A89 HydrophobicContact CB-CB 4.3Å; L78-A89 HydrophobicContact CD2-CB 3.85Å; S85-A89 WeakPolarHBondContact O-CB 3.3Å; S85-A89 PolarHBondContact O-N 3.4Å; V86-A89 PolarHBondContact O-N 2.96Å; T87-A89 PolarHBondContact O-N 3.3Å; A89-C91 PolarHBondContact O-N 3.38Å; A89-S92 WeakPolarHBondContact O-CB 3.17Å; A89-S92 PolarHBondContact O-N 3.14Å; A89-Q93 WeakPolarHBondContact O-CG 3.37Å; A89-Q93 PolarHBondContact O-N 3.44Å
90	F	91.8	Very high	87	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-59.4	-47	175.3	-175.7	-81.6	0	0	0	111.5	V86 T87 S92 Q93 F94 I101 L113 F116 L120 T122	V86-F90 WeakPolarHBondContact O-CB 3.47Å; V86-F90 PolarHBondContact O-N 3.36Å; T87-F90 PolarHBondContact O-N 2.92Å; F90-S92 PolarHBondContact O-N 3.19Å; F90-Q93 PolarHBondContact O-N 3.29Å; F90-F94 HydrophobicContact CE1-CB 4.45Å; F90-F94 WeakPolarHBondContact O-CB 3.4Å; F90-F94 PolarHBondContact O-N 3.35Å; F90-I101 HydrophobicContact CD2-CD1 3.8Å; F90-I101 HydrophobicContact CE2-CD1 3.62Å; F90-I101 HydrophobicContact CZ-CD1 4.22Å; F90-L113 HydrophobicContact CD2-CD2 3.75Å; F90-L113 HydrophobicContact CE2-CD2 4.49Å; F90-L113 HydrophobicContact CG-CD2 4.48Å; F90-F116 HydrophobicContact CD1-CB 4.03Å; F90-F116 HydrophobicContact CD1-CD1 4.36Å; F90-F116 HydrophobicContact CD1-CG 4.21Å; F90-F116 HydrophobicContact CE1-CB 3.76Å; F90-F116 HydrophobicContact CE1-CD1 4.38Å; F90-F116 HydrophobicContact CE1-CG 4.29Å; F90-F116 HydrophobicContact CE2-CB 4.3Å; F90-F116 HydrophobicContact CG-CB 4.46Å; F90-F116 HydrophobicContact CZ-CB 3.88Å; F90-L120 HydrophobicContact CE1-CD1 3.67Å; F90-L120 HydrophobicContact CZ-CD1 4.45Å; F90-T122 HydrophobicContact CZ-CG2 4.39Å
91	C	90.4	Very high	88.4	Confident	17 Å²	17	38.6 Å²	38.6	12%	0.115	21%	0.214	C	C	.	.	H	α-helix	trans	-63.2	-39.3	176.8	-69.5	0	0	0	0	113	T87 N88 A89 F94 S95 C340	T87-C91 WeakPolarHBondContact O-CB 3.34Å; T87-C91 PolarHBondContact O-N 3.16Å; T87-C91 PolarHBondContact O-SG 2.99Å; N88-C91 PolarHBondContact O-N 3.16Å; A89-C91 PolarHBondContact O-N 3.38Å; C91-F94 PolarHBondContact O-N 3.4Å; C91-S95 WeakPolarHBondContact O-CB 3.47Å; C91-S95 PolarHBondContact O-N 3.33Å; C91-S95 PolarHBondContact O-OG 3.48Å; C91-C340 HydrophobicContact CB-CB 3.78Å; C91-C340 WeakPolarHBondContact CB-SG 3.4Å; C91-C340 WeakPolarHBondContact SG-CB 3.19Å; C91-C340 CovalentContact SG-SG 2.01Å; C91-C340 PolarHBondContact SG-SG 2.88Å
92	S	91.2	Very high	89.6	Confident	30 Å²	30	35 Å²	35	21%	0.21	19%	0.189	C	C	.	.	H	α-helix	trans	-58.9	-46.6	171.5	166.7	0	0	0	0	111.4	N88 A89 F90 S95 R96	N88-S92 WeakPolarHBondContact O-CB 3.43Å; N88-S92 PolarHBondContact O-N 2.85Å; A89-S92 WeakPolarHBondContact O-CB 3.17Å; A89-S92 PolarHBondContact O-N 3.14Å; F90-S92 PolarHBondContact O-N 3.19Å; S92-S95 PolarHBondContact O-OG 3.27Å; S92-R96 VanDerWaalsContact O-CG 3.22Å; S92-R96 WeakPolarHBondContact O-CG 3.4Å; S92-R96 PolarHBondContact O-N 3.31Å; S92-R96 VanDerWaalsContact O-N 3.13Å; S92-R96 PolarHBondContact OG-NE 3.49Å; S92-R96 PolarHBondContact OG-NH2 3.05Å
93	Q	90.3	Very high	90.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-66.9	-40.8	177.4	-66.4	-64.7	-20.8	0	0	112.2	G37 L39 H74 D76 A89 F90 R96 G97 V98 I101	G37-Q93 VanDerWaalsContact CA-OE1 3.26Å; L39-Q93 HydrophobicContact CD2-CG 4.34Å; H74-Q93 PolarHBondContact O-NE2 3.28Å; D76-Q93 PolarHBondContact OD2-NE2 3.24Å; A89-Q93 WeakPolarHBondContact O-CG 3.37Å; A89-Q93 PolarHBondContact O-N 3.44Å; F90-Q93 PolarHBondContact O-N 3.29Å; Q93-R96 PolarHBondContact O-N 3.5Å; Q93-G97 PolarHBondContact O-N 2.99Å; Q93-V98 HydrophobicContact CB-CG2 4.05Å; Q93-V98 WeakPolarHBondContact O-CG2 3.46Å; Q93-V98 PolarHBondContact O-N 3.39Å; Q93-I101 HydrophobicContact CB-CD1 3.99Å; Q93-I101 HydrophobicContact CB-CG1 4.4Å
94	F	89.1	Confident	90.3	Very high	4 Å²	4	30.1 Å²	30.1	2%	0.018	16%	0.159	C	C	.	.	H	α-helix	trans	-61.2	-49.6	177.1	-176	-99.9	0	0	0	111.4	F90 C91 R96 G97 L120 A337 C340	F90-F94 HydrophobicContact CE1-CB 4.45Å; F90-F94 WeakPolarHBondContact O-CB 3.4Å; F90-F94 PolarHBondContact O-N 3.35Å; C91-F94 PolarHBondContact O-N 3.4Å; F94-R96 VanDerWaalsContact C-N 3.3Å; F94-R96 PolarHBondContact O-N 2.99Å; F94-G97 WeakPolarHBondContact O-CA 3.29Å; F94-G97 PolarHBondContact O-N 3.2Å; F94-L120 HydrophobicContact CD2-CB 4.42Å; F94-L120 HydrophobicContact CD2-CD1 4.25Å; F94-L120 HydrophobicContact CE1-CD2 4.42Å; F94-L120 HydrophobicContact CE2-CB 3.94Å; F94-L120 HydrophobicContact CE2-CD1 4.3Å; F94-L120 HydrophobicContact CE2-CD2 4.31Å; F94-L120 HydrophobicContact CE2-CG 4.41Å; F94-L120 HydrophobicContact CG-CD1 4.43Å; F94-L120 HydrophobicContact CZ-CB 4.46Å; F94-L120 HydrophobicContact CZ-CD2 3.99Å; F94-A337 HydrophobicContact CD1-CB 4.06Å; F94-A337 HydrophobicContact CE1-CB 3.93Å; F94-A337 WeakPolarHBondContact CE1-O 3.38Å; F94-A337 HydrophobicContact CZ-CB 4.31Å; F94-A337 WeakPolarHBondContact O-CB 3.34Å; F94-C340 HydrophobicContact CD1-CB 4.22Å
95	S	87	Confident	90.4	Very high	55 Å²	55	23.2 Å²	23.2	39%	0.385	13%	0.129	S	C	.	.	H	α-helix	trans	-61.3	-34	178.1	60.2	0	0	0	0	113.4	C91 S92 G97	C91-S95 WeakPolarHBondContact O-CB 3.47Å; C91-S95 PolarHBondContact O-N 3.33Å; C91-S95 PolarHBondContact O-OG 3.48Å; S92-S95 PolarHBondContact O-OG 3.27Å; S95-G97 PolarHBondContact O-N 3.22Å
96	R	87.8	Confident	90.3	Very high	128 Å²	128	22.9 Å²	22.9	48%	0.483	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-14.2	171.4	-70.9	172.9	-165.8	-153.7	10.1	113.4	D76 S92 Q93 F94 V98	D76-R96 IonicContact OD1-NH2 3.91Å; S92-R96 VanDerWaalsContact O-CG 3.22Å; S92-R96 WeakPolarHBondContact O-CG 3.4Å; S92-R96 PolarHBondContact O-N 3.31Å; S92-R96 VanDerWaalsContact O-N 3.13Å; S92-R96 PolarHBondContact OG-NE 3.49Å; S92-R96 PolarHBondContact OG-NH2 3.05Å; Q93-R96 PolarHBondContact O-N 3.5Å; F94-R96 VanDerWaalsContact C-N 3.3Å; F94-R96 PolarHBondContact O-N 2.99Å; R96-V98 HydrophobicContact CB-CG1 4.46Å
97	G	86.2	Confident	90	Very high	15 Å²	15	25.2 Å²	25.2	16%	0.155	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.9	33.3	175.9	0	0	0	0	0	114	Q93 F94 S95	Q93-G97 PolarHBondContact O-N 2.99Å; F94-G97 WeakPolarHBondContact O-CA 3.29Å; F94-G97 PolarHBondContact O-N 3.2Å; S95-G97 PolarHBondContact O-N 3.22Å
98	V	90.3	Very high	89.6	Confident	2 Å²	2	30.2 Å²	30.2	1%	0.012	16%	0.157	C	C	.	.			trans	-64.8	149.2	175.7	-57.4	0	0	0	0	111.8	S35 Q93 R96 I101	S35-V98 WeakPolarHBondContact O-CA 3.27Å; Q93-V98 HydrophobicContact CB-CG2 4.05Å; Q93-V98 WeakPolarHBondContact O-CG2 3.46Å; Q93-V98 PolarHBondContact O-N 3.39Å; R96-V98 HydrophobicContact CB-CG1 4.46Å; V98-I101 HydrophobicContact CG2-CD1 4.29Å; V98-I101 HydrophobicContact CG2-CG1 3.68Å
99	Y	89.4	Confident	89.5	Confident	27 Å²	27	25.3 Å²	25.3	11%	0.106	13%	0.131	C	C	.	.	S	Bend	trans	-88.3	-25	-175.4	-65.1	-92.2	0	0	0	113.7	I34 S35 V331 W348	I34-Y99 HydrophobicContact CG2-CD2 3.8Å; I34-Y99 HydrophobicContact CG2-CG 4.09Å; S35-Y99 PolarHBondContact O-N 2.89Å; Y99-V331 WeakPolarHBondContact CE1-O 3.42Å; Y99-W348 AromaticContact CD1-CH2 3.52Å; Y99-W348 HydrophobicContact CD1-CH2 3.52Å; Y99-W348 AromaticContact CD1-CZ2 3.66Å; Y99-W348 HydrophobicContact CD1-CZ2 3.66Å; Y99-W348 HydrophobicContact CE1-CH2 4.45Å; Y99-W348 HydrophobicContact CE1-CZ2 4.18Å; Y99-W348 HydrophobicContact CG-CH2 4.08Å; Y99-W348 VanDerWaalsContact O-CZ3 3.23Å; Y99-W348 WeakPolarHBondContact O-CZ3 3.47Å
100	A	92.4	Very high	89.3	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	147.7	174.5	0	0	0	0	0	108.3	I36 G37	I36-A100 WeakPolarHBondContact CA-O 3.4Å; G37-A100 PolarHBondContact N-O 3.44Å
101	I	94.8	Very high	89.2	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	124.2	176.1	-60.3	175.3	0	0	0	107.9	G37 L39 F90 Q93 V98 T122 S123 F124 V125	G37-I101 WeakPolarHBondContact O-CA 3.22Å; L39-I101 HydrophobicContact CD1-CG2 3.7Å; L39-I101 HydrophobicContact CG-CG2 3.87Å; F90-I101 HydrophobicContact CD2-CD1 3.8Å; F90-I101 HydrophobicContact CE2-CD1 3.62Å; F90-I101 HydrophobicContact CZ-CD1 4.22Å; Q93-I101 HydrophobicContact CB-CD1 3.99Å; Q93-I101 HydrophobicContact CB-CG1 4.4Å; V98-I101 HydrophobicContact CG2-CD1 4.29Å; V98-I101 HydrophobicContact CG2-CG1 3.68Å; I101-T122 HydrophobicContact CD1-CG2 3.81Å; I101-T122 HydrophobicContact CG1-CG2 4.06Å; I101-S123 PolarHBondContact N-O 2.97Å; I101-F124 HydrophobicContact CB-CD2 3.96Å; I101-F124 HydrophobicContact CG2-CD2 3.7Å; I101-F124 HydrophobicContact CG2-CE2 3.88Å; I101-F124 CarbonylContact O-C 3.5Å; I101-F124 VanDerWaalsContact O-CA 3.25Å; I101-F124 WeakPolarHBondContact O-CA 3.39Å; I101-F124 WeakPolarHBondContact O-CD2 3.48Å; I101-V125 PolarHBondContact O-N 3.37Å
102	F	95.4	Very high	89.2	Confident	1 Å²	1	32.1 Å²	32.1	0%	0.004	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	138.7	169.1	171.5	-95.6	0	0	0	109.1	G37 G38 L39 F40 F51 F104 V125 P127 T310 A313	G37-F102 PolarHBondContact O-N 3.34Å; G38-F102 CarbonylContact C-O 3.53Å; G38-F102 VanDerWaalsContact CA-O 3.3Å; G38-F102 WeakPolarHBondContact CA-O 3.39Å; L39-F102 PolarHBondContact N-O 2.91Å; F40-F102 HydrophobicContact CE1-CD1 4.42Å; F40-F102 AromaticContact CE1-CE1 3.78Å; F40-F102 HydrophobicContact CE1-CE1 3.78Å; F40-F102 HydrophobicContact CE2-CD1 4.3Å; F40-F102 HydrophobicContact CE2-CE1 4.44Å; F40-F102 AromaticContact CZ-CD1 3.78Å; F40-F102 HydrophobicContact CZ-CD1 3.78Å; F40-F102 AromaticContact CZ-CE1 3.54Å; F40-F102 HydrophobicContact CZ-CE1 3.54Å; F51-F102 AromaticContact CD2-CD1 3.6Å; F51-F102 HydrophobicContact CD2-CD1 3.6Å; F51-F102 AromaticContact CD2-CE1 3.92Å; F51-F102 HydrophobicContact CD2-CE1 3.92Å; F51-F102 HydrophobicContact CD2-CG 4.22Å; F51-F102 HydrophobicContact CE2-CB 4.07Å; F51-F102 AromaticContact CE2-CD1 3.67Å; F51-F102 HydrophobicContact CE2-CD1 3.67Å; F51-F102 HydrophobicContact CE2-CE1 4.45Å; F51-F102 HydrophobicContact CE2-CG 4.01Å; F102-F104 HydrophobicContact CE1-CE2 4.24Å; F102-F104 HydrophobicContact CZ-CE2 4.34Å; F102-V125 WeakPolarHBondContact CA-O 3.47Å; F102-V125 HydrophobicContact CD2-CB 4.38Å; F102-V125 HydrophobicContact CD2-CG1 4.42Å; F102-V125 WeakPolarHBondContact CD2-O 3.26Å; F102-P127 HydrophobicContact CE2-CG 4.18Å; F102-P127 HydrophobicContact CZ-CG 3.94Å; F102-T310 HydrophobicContact CE1-CG2 3.7Å; F102-T310 HydrophobicContact CE2-CG2 4.32Å; F102-T310 HydrophobicContact CZ-CG2 3.43Å; F102-T310 VanDerWaalsContact CZ-CG2 3.43Å; F102-A313 HydrophobicContact CD2-CB 3.76Å; F102-A313 HydrophobicContact CE2-CB 3.51Å
103	G	92.6	Very high	89.1	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.6	-179.1	170.6	0	0	0	0	0	116.1	L39 F124 V125 T126	L39-G103 WeakPolarHBondContact O-CA 3.34Å; G103-F124 WeakPolarHBondContact O-CZ 3.47Å; G103-V125 PolarHBondContact N-O 3.44Å; G103-T126 WeakPolarHBondContact O-CA 3.08Å; G103-T126 WeakPolarHBondContact O-CB 3.49Å; G103-T126 PolarHBondContact O-OG1 3.28Å
104	F	90.9	Very high	89.1	Confident	14 Å²	14	31.9 Å²	31.9	6%	0.061	16%	0.162	C	C	.	.			trans	-100.8	144.5	177.4	-61.8	-99.8	0	0	0	110.1	L39 F40 M41 T44 E47 F102 P127 S128	L39-F104 PolarHBondContact O-N 2.92Å; F40-F104 HydrophobicContact CD1-CD2 4.3Å; F40-F104 AromaticContact CD1-CE2 3.95Å; F40-F104 HydrophobicContact CD1-CE2 3.95Å; F40-F104 AromaticContact CE1-CE2 3.96Å; F40-F104 HydrophobicContact CE1-CE2 3.96Å; M41-F104 HydrophobicContact CE-CB 3.48Å; M41-F104 VanDerWaalsContact CE-CB 3.48Å; M41-F104 HydrophobicContact CG-CB 4.2Å; M41-F104 HydrophobicContact SD-CB 4.17Å; T44-F104 HydrophobicContact CG2-CD1 4.36Å; T44-F104 HydrophobicContact CG2-CD2 4.27Å; T44-F104 HydrophobicContact CG2-CE1 4.33Å; T44-F104 HydrophobicContact CG2-CE2 4.3Å; T44-F104 HydrophobicContact CG2-CG 4.34Å; T44-F104 HydrophobicContact CG2-CZ 4.36Å; E47-F104 HydrophobicContact CB-CE2 4.03Å; E47-F104 HydrophobicContact CB-CZ 3.68Å; E47-F104 HydrophobicContact CG-CE1 4.34Å; E47-F104 HydrophobicContact CG-CE2 4.48Å; E47-F104 HydrophobicContact CG-CZ 3.68Å; F102-F104 HydrophobicContact CE1-CE2 4.24Å; F102-F104 HydrophobicContact CZ-CE2 4.34Å; F104-P127 HydrophobicContact CD1-CG 3.87Å; F104-P127 HydrophobicContact CE1-CB 4.38Å; F104-P127 HydrophobicContact CE1-CG 3.31Å; F104-P127 HydrophobicContact CE2-CG 4.15Å; F104-P127 HydrophobicContact CG-CG 4.49Å; F104-P127 HydrophobicContact CZ-CG 3.43Å; F104-P127 VanDerWaalsContact CZ-CG 3.43Å; F104-S128 WeakPolarHBondContact CA-OG 3.43Å
105	Y	88.8	Confident	89.2	Confident	4 Å²	4	35.5 Å²	35.5	2%	0.016	19%	0.188	C	C	.	.			trans	-120.8	158.2	162.2	59.2	-112.6	0	0	0	110.7	M41 M110 F124 T126 S128 F129 T131	M41-Y105 VanDerWaalsContact CE-C 3.42Å; Y105-M110 HydrophobicContact CD2-CB 3.82Å; Y105-M110 HydrophobicContact CD2-CG 3.98Å; Y105-M110 HydrophobicContact CE2-CB 4.28Å; Y105-M110 HydrophobicContact CE2-CG 3.94Å; Y105-M110 HydrophobicContact CE2-SD 4.35Å; Y105-M110 HydrophobicContact CG-CB 4.22Å; Y105-M110 HydrophobicContact CG-CG 4.45Å; Y105-F124 AromaticContact CD1-CE1 3.75Å; Y105-F124 HydrophobicContact CD1-CE1 3.75Å; Y105-F124 HydrophobicContact CD1-CZ 4.45Å; Y105-F124 HydrophobicContact CE1-CE1 4.21Å; Y105-T126 HydrophobicContact CD1-CG2 4.22Å; Y105-T126 HydrophobicContact CE1-CG2 3.43Å; Y105-T126 VanDerWaalsContact CE1-CG2 3.43Å; Y105-S128 PolarHBondContact N-OG 3.15Å; Y105-S128 PolarHBondContact O-OG 3.48Å; Y105-F129 HydrophobicContact CD2-CE1 4.17Å; Y105-F129 HydrophobicContact CD2-CZ 4.03Å; Y105-F129 HydrophobicContact CE2-CD1 4.43Å; Y105-F129 HydrophobicContact CE2-CD2 4.31Å; Y105-F129 HydrophobicContact CE2-CE1 4.07Å; Y105-F129 AromaticContact CE2-CE2 3.94Å; Y105-F129 HydrophobicContact CE2-CE2 3.94Å; Y105-F129 AromaticContact CE2-CZ 3.8Å; Y105-F129 HydrophobicContact CE2-CZ 3.8Å; Y105-F129 PolarHBondContact OH-O 3.28Å; Y105-T131 HydrophobicContact CE2-CG2 4.44Å; Y105-T131 WeakPolarHBondContact OH-CG2 3.37Å
106	D	86.5	Confident	89.4	Confident	34 Å²	34	34.9 Å²	34.9	18%	0.182	18%	0.179	C	C	.	.			trans	-106	167.9	167.3	-178.5	32.2	0	0	0	109.3	M41 M108 S109 M110	M41-D106 HydrophobicContact CE-CB 4.27Å; D106-M108 PolarHBondContact O-N 3.05Å; D106-S109 PolarHBondContact N-OG 3.39Å; D106-S109 PolarHBondContact O-N 3.37Å; D106-S109 VanDerWaalsContact O-N 3.09Å; D106-S109 PolarHBondContact O-OG 2.7Å; D106-M110 WeakPolarHBondContact O-CB 3.22Å; D106-M110 PolarHBondContact O-N 3.47Å
107	Q	83	Confident	89.5	Confident	54 Å²	54	28.8 Å²	28.8	25%	0.252	16%	0.156	S	C	.	.	H	α-helix	trans	-56.2	-33.9	179.8	-175.5	167.7	-20.5	0	0	113.1	F129 T167	Q107-F129 HydrophobicContact CB-CZ 4.03Å; Q107-T167 PolarHBondContact OE1-O 3.44Å
108	M	83.2	Confident	89.7	Confident	135 Å²	135	29.5 Å²	29.5	67%	0.665	16%	0.164	S	C	*	.	H	α-helix	trans	-74.2	-33	178.3	-62.2	-62.5	179	0	0	113.3	S83 D106	S83-M108 PolarHBondContact OG-O 3.49Å; D106-M108 PolarHBondContact O-N 3.05Å
109	S	87.4	Confident	89.7	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-95.9	-14.8	-176	47.1	0	0	0	0	113.9	S80 D106 N111 T112 L113	S80-S109 PolarHBondContact O-OG 3.13Å; D106-S109 PolarHBondContact N-OG 3.39Å; D106-S109 PolarHBondContact O-N 3.37Å; D106-S109 VanDerWaalsContact O-N 3.09Å; D106-S109 PolarHBondContact O-OG 2.7Å; S109-N111 PolarHBondContact O-N 2.92Å; S109-T112 WeakPolarHBondContact O-CB 3.44Å; S109-T112 PolarHBondContact O-N 2.95Å; S109-L113 PolarHBondContact O-N 3.04Å; S109-L113 VanDerWaalsContact O-N 3.08Å
110	M	87.8	Confident	89.7	Confident	35 Å²	35	31 Å²	31	17%	0.172	18%	0.182	C	C	.	.	H	α-helix	trans	-53.6	-50.8	178.5	-178.1	-167.1	79.4	0	0	112.7	Y105 D106 T112 L113 T114 F129 T131	Y105-M110 HydrophobicContact CD2-CB 3.82Å; Y105-M110 HydrophobicContact CD2-CG 3.98Å; Y105-M110 HydrophobicContact CE2-CB 4.28Å; Y105-M110 HydrophobicContact CE2-CG 3.94Å; Y105-M110 HydrophobicContact CE2-SD 4.35Å; Y105-M110 HydrophobicContact CG-CB 4.22Å; Y105-M110 HydrophobicContact CG-CG 4.45Å; D106-M110 WeakPolarHBondContact O-CB 3.22Å; D106-M110 PolarHBondContact O-N 3.47Å; M110-T112 VanDerWaalsContact C-N 3.27Å; M110-T112 PolarHBondContact O-N 3.27Å; M110-L113 PolarHBondContact O-N 3.05Å; M110-T114 HydrophobicContact CG-CG2 4.35Å; M110-T114 WeakPolarHBondContact O-CB 3.37Å; M110-T114 VanDerWaalsContact O-CG2 3.23Å; M110-T114 WeakPolarHBondContact O-CG2 3.38Å; M110-T114 PolarHBondContact O-N 3.3Å; M110-T114 PolarHBondContact O-OG1 3.37Å; M110-F129 HydrophobicContact SD-CE2 4.09Å; M110-F129 HydrophobicContact SD-CZ 4.49Å; M110-T131 HydrophobicContact CG-CG2 3.95Å; M110-T131 HydrophobicContact SD-CG2 3.3Å; M110-T131 WeakPolarHBondContact SD-CG2 3.43Å
111	N	88.5	Confident	89.7	Confident	106 Å²	106	33.3 Å²	33.3	57%	0.567	19%	0.192	S	C	*	.	H	α-helix	trans	-63	-35.1	-178.9	-70.4	-20.1	0	0	0	112.3	S109 T114 S115	S109-N111 PolarHBondContact O-N 2.92Å; N111-T114 WeakPolarHBondContact CA-OG1 3.32Å; N111-T114 PolarHBondContact O-OG1 2.96Å; N111-T114 VanDerWaalsContact O-OG1 3.06Å; N111-S115 VanDerWaalsContact O-CB 3.23Å; N111-S115 WeakPolarHBondContact O-CB 3.45Å; N111-S115 PolarHBondContact O-N 3.44Å; N111-S115 VanDerWaalsContact O-N 3.14Å
112	T	90.5	Very high	89.5	Confident	31 Å²	31	33.4 Å²	33.4	19%	0.19	19%	0.193	C	C	.	.	H	α-helix	trans	-65.2	-52.4	177.1	-52.5	0	0	0	0	110.4	T87 S109 M110 S115 F116	T87-T112 WeakPolarHBondContact OG1-CG2 3.24Å; S109-T112 WeakPolarHBondContact O-CB 3.44Å; S109-T112 PolarHBondContact O-N 2.95Å; M110-T112 VanDerWaalsContact C-N 3.27Å; M110-T112 PolarHBondContact O-N 3.27Å; T112-S115 PolarHBondContact O-N 3.12Å; T112-F116 HydrophobicContact CG2-CD2 3.83Å; T112-F116 HydrophobicContact CG2-CE2 3.74Å; T112-F116 WeakPolarHBondContact O-CD2 3.34Å; T112-F116 PolarHBondContact O-N 2.98Å
113	L	89.8	Confident	89.4	Confident	3 Å²	3	33.4 Å²	33.4	2%	0.016	19%	0.193	C	C	.	.	H	α-helix	trans	-65.1	-45.4	-177.8	-76.7	166.5	0	0	0	112.3	L39 V86 F90 S109 M110 S115 F116 C117 F124	L39-L113 HydrophobicContact CD1-CD2 4.26Å; V86-L113 HydrophobicContact CG1-CD1 3.82Å; V86-L113 HydrophobicContact CG1-CD2 3.67Å; V86-L113 HydrophobicContact CG1-CG 3.6Å; F90-L113 HydrophobicContact CD2-CD2 3.75Å; F90-L113 HydrophobicContact CE2-CD2 4.49Å; F90-L113 HydrophobicContact CG-CD2 4.48Å; S109-L113 PolarHBondContact O-N 3.04Å; S109-L113 VanDerWaalsContact O-N 3.08Å; M110-L113 PolarHBondContact O-N 3.05Å; L113-S115 VanDerWaalsContact C-N 3.3Å; L113-S115 PolarHBondContact O-N 3.47Å; L113-F116 PolarHBondContact O-N 2.85Å; L113-C117 WeakPolarHBondContact O-CB 3.46Å; L113-C117 PolarHBondContact O-N 2.85Å; L113-C117 PolarHBondContact O-SG 3.2Å; L113-F124 HydrophobicContact CD1-CE1 4.48Å; L113-F124 HydrophobicContact CD1-CZ 4.07Å
114	T	90.4	Very high	89.5	Confident	21 Å²	21	33.4 Å²	33.4	13%	0.129	19%	0.193	C	C	.	.	H	α-helix	trans	-59.3	-41.4	177.8	51.2	0	0	0	0	111.8	M110 N111 G118 V135 V138	M110-T114 HydrophobicContact CG-CG2 4.35Å; M110-T114 WeakPolarHBondContact O-CB 3.37Å; M110-T114 VanDerWaalsContact O-CG2 3.23Å; M110-T114 WeakPolarHBondContact O-CG2 3.38Å; M110-T114 PolarHBondContact O-N 3.3Å; M110-T114 PolarHBondContact O-OG1 3.37Å; N111-T114 WeakPolarHBondContact CA-OG1 3.32Å; N111-T114 PolarHBondContact O-OG1 2.96Å; N111-T114 VanDerWaalsContact O-OG1 3.06Å; T114-G118 PolarHBondContact O-N 3Å; T114-G118 VanDerWaalsContact O-N 3.08Å; T114-V135 HydrophobicContact CG2-CB 4.49Å; T114-V135 HydrophobicContact CG2-CG1 3.84Å; T114-V135 HydrophobicContact CG2-CG2 4.16Å; T114-V138 HydrophobicContact CG2-CG2 4.26Å
115	S	90.7	Very high	89.8	Confident	80 Å²	80	32.8 Å²	32.8	56%	0.559	19%	0.19	S	C	*	.	H	α-helix	trans	-63.3	-49	175.4	-175.1	0	0	0	0	112.7	N111 T112 L113 G118 A119	N111-S115 VanDerWaalsContact O-CB 3.23Å; N111-S115 WeakPolarHBondContact O-CB 3.45Å; N111-S115 PolarHBondContact O-N 3.44Å; N111-S115 VanDerWaalsContact O-N 3.14Å; T112-S115 PolarHBondContact O-N 3.12Å; L113-S115 VanDerWaalsContact C-N 3.3Å; L113-S115 PolarHBondContact O-N 3.47Å; S115-G118 PolarHBondContact O-N 2.81Å; S115-A119 WeakPolarHBondContact O-CB 3.46Å; S115-A119 PolarHBondContact O-N 2.99Å
116	F	90.7	Very high	90	Very high	42 Å²	42	32.6 Å²	32.6	18%	0.184	19%	0.189	C	C	.	.	H	α-helix	trans	-65	-40.6	178.5	-83.9	-70.9	0	0	0	113	T87 F90 T112 L113 G118 A119 L120	T87-F116 HydrophobicContact CG2-CE2 3.67Å; T87-F116 HydrophobicContact CG2-CZ 3.6Å; F90-F116 HydrophobicContact CD1-CB 4.03Å; F90-F116 HydrophobicContact CD1-CD1 4.36Å; F90-F116 HydrophobicContact CD1-CG 4.21Å; F90-F116 HydrophobicContact CE1-CB 3.76Å; F90-F116 HydrophobicContact CE1-CD1 4.38Å; F90-F116 HydrophobicContact CE1-CG 4.29Å; F90-F116 HydrophobicContact CE2-CB 4.3Å; F90-F116 HydrophobicContact CG-CB 4.46Å; F90-F116 HydrophobicContact CZ-CB 3.88Å; T112-F116 HydrophobicContact CG2-CD2 3.83Å; T112-F116 HydrophobicContact CG2-CE2 3.74Å; T112-F116 WeakPolarHBondContact O-CD2 3.34Å; T112-F116 PolarHBondContact O-N 2.98Å; L113-F116 PolarHBondContact O-N 2.85Å; F116-G118 VanDerWaalsContact C-N 3.35Å; F116-A119 PolarHBondContact O-N 3.12Å; F116-L120 HydrophobicContact CD1-CD1 4.08Å; F116-L120 WeakPolarHBondContact O-CB 3.44Å; F116-L120 PolarHBondContact O-N 2.57Å
117	C	91.3	Very high	90.4	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-63.5	-42.6	178.3	-64.6	0	0	0	0	111.2	L113 H121 T122 F124 F137 V138	L113-C117 WeakPolarHBondContact O-CB 3.46Å; L113-C117 PolarHBondContact O-N 2.85Å; L113-C117 PolarHBondContact O-SG 3.2Å; C117-H121 WeakPolarHBondContact O-CA 3.45Å; C117-H121 PolarHBondContact O-N 3.41Å; C117-T122 WeakPolarHBondContact CB-O 3.15Å; C117-T122 PolarHBondContact O-N 3.14Å; C117-F124 WeakPolarHBondContact SG-CB 3.42Å; C117-F137 HydrophobicContact CB-CB 4.1Å; C117-V138 HydrophobicContact CB-CG2 4.47Å
118	G	90.2	Very high	90.7	Very high	31 Å²	31	28.7 Å²	28.7	32%	0.32	17%	0.17	S	C	.	.	H	α-helix	trans	-65	-42.5	174.8	0	0	0	0	0	113.4	T114 S115 F116 H121	T114-G118 PolarHBondContact O-N 3Å; T114-G118 VanDerWaalsContact O-N 3.08Å; S115-G118 PolarHBondContact O-N 2.81Å; F116-G118 VanDerWaalsContact C-N 3.35Å; G118-H121 PolarHBondContact O-CD2 2.92Å; G118-H121 VanDerWaalsContact O-CD2 3.3Å
119	A	89.8	Confident	90.9	Very high	58 Å²	58	23.4 Å²	23.4	48%	0.479	14%	0.144	S	C	.	.	H	α-helix	trans	-71.7	-38	-178.5	0	0	0	0	0	113.4	S115 F116	S115-A119 WeakPolarHBondContact O-CB 3.46Å; S115-A119 PolarHBondContact O-N 2.99Å; F116-A119 PolarHBondContact O-N 3.12Å
120	L	90.1	Very high	91	Very high	3 Å²	3	25.4 Å²	25.4	2%	0.016	16%	0.157	C	C	.	.	H	α-helix	trans	-100.8	0.5	-173.2	-64.3	169.3	0	0	0	113.7	F90 F94 F116 T122 C340 A345 W348	F90-L120 HydrophobicContact CE1-CD1 3.67Å; F90-L120 HydrophobicContact CZ-CD1 4.45Å; F94-L120 HydrophobicContact CD2-CB 4.42Å; F94-L120 HydrophobicContact CD2-CD1 4.25Å; F94-L120 HydrophobicContact CE1-CD2 4.42Å; F94-L120 HydrophobicContact CE2-CB 3.94Å; F94-L120 HydrophobicContact CE2-CD1 4.3Å; F94-L120 HydrophobicContact CE2-CD2 4.31Å; F94-L120 HydrophobicContact CE2-CG 4.41Å; F94-L120 HydrophobicContact CG-CD1 4.43Å; F94-L120 HydrophobicContact CZ-CB 4.46Å; F94-L120 HydrophobicContact CZ-CD2 3.99Å; F116-L120 HydrophobicContact CD1-CD1 4.08Å; F116-L120 WeakPolarHBondContact O-CB 3.44Å; F116-L120 PolarHBondContact O-N 2.57Å; L120-T122 PolarHBondContact O-N 3.1Å; L120-C340 HydrophobicContact CD1-CB 4.17Å; L120-A345 HydrophobicContact CD2-CB 3.64Å; L120-W348 PolarHBondContact O-N 3.47Å
121	H	91.1	Very high	90.7	Very high	48 Å²	48	24.3 Å²	24.3	22%	0.222	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	42.1	-174.9	-62.2	174	0	0	0	112.8	C117 G118 F137 P347 W348 G351	C117-H121 WeakPolarHBondContact O-CA 3.45Å; C117-H121 PolarHBondContact O-N 3.41Å; G118-H121 PolarHBondContact O-CD2 2.92Å; G118-H121 VanDerWaalsContact O-CD2 3.3Å; H121-F137 HydrophobicContact CB-CD1 4.29Å; H121-F137 HydrophobicContact CB-CE1 3.59Å; H121-F137 HydrophobicContact CB-CE2 4.28Å; H121-F137 HydrophobicContact CB-CZ 3.58Å; H121-F137 AromaticContact CD2-CE2 3.3Å; H121-F137 WeakPolarHBondContact CD2-CE2 3.24Å; H121-F137 AromaticContact CD2-CZ 3.26Å; H121-F137 WeakPolarHBondContact CD2-CZ 3.5Å; H121-F137 AromaticContact CG-CE1 3.96Å; H121-F137 AromaticContact CG-CE2 3.93Å; H121-F137 AromaticContact CG-CZ 3.4Å; H121-F137 AromaticContact NE2-CE2 3.99Å; H121-F137 AromaticContact NE2-CZ 3.95Å; H121-P347 HydrophobicContact CB-CB 4.27Å; H121-P347 WeakPolarHBondContact ND1-CB 3.49Å; H121-W348 WeakPolarHBondContact CB-O 3.13Å; H121-G351 WeakPolarHBondContact O-CA 3.47Å
122	T	90.9	Very high	89.9	Confident	2 Å²	2	23 Å²	23	1%	0.012	15%	0.145	C	C	.	.			trans	-102.5	120.5	178.3	-58.7	0	0	0	0	109.1	F90 I101 C117 L120 F124	F90-T122 HydrophobicContact CZ-CG2 4.39Å; I101-T122 HydrophobicContact CD1-CG2 3.81Å; I101-T122 HydrophobicContact CG1-CG2 4.06Å; C117-T122 WeakPolarHBondContact CB-O 3.15Å; C117-T122 PolarHBondContact O-N 3.14Å; L120-T122 PolarHBondContact O-N 3.1Å; T122-F124 PolarHBondContact O-N 3.16Å
123	S	93.9	Very high	89.4	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	16%	0.16	C	C	.	.			trans	-71.1	125	-179.5	-67.4	0	0	0	0	111.2	I101 F137	I101-S123 PolarHBondContact N-O 2.97Å; S123-F137 WeakPolarHBondContact CA-O 3.28Å
124	F	94.9	Very high	89.2	Confident	1 Å²	1	29 Å²	29	0%	0.004	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	124.3	178.5	-177.4	-102.9	0	0	0	111.1	L39 I101 G103 Y105 L113 C117 T122 T126 F137 V138 I139	L39-F124 HydrophobicContact CD1-CE2 4.2Å; I101-F124 HydrophobicContact CB-CD2 3.96Å; I101-F124 HydrophobicContact CG2-CD2 3.7Å; I101-F124 HydrophobicContact CG2-CE2 3.88Å; I101-F124 CarbonylContact O-C 3.5Å; I101-F124 VanDerWaalsContact O-CA 3.25Å; I101-F124 WeakPolarHBondContact O-CA 3.39Å; I101-F124 WeakPolarHBondContact O-CD2 3.48Å; G103-F124 WeakPolarHBondContact O-CZ 3.47Å; Y105-F124 AromaticContact CD1-CE1 3.75Å; Y105-F124 HydrophobicContact CD1-CE1 3.75Å; Y105-F124 HydrophobicContact CD1-CZ 4.45Å; Y105-F124 HydrophobicContact CE1-CE1 4.21Å; L113-F124 HydrophobicContact CD1-CE1 4.48Å; L113-F124 HydrophobicContact CD1-CZ 4.07Å; C117-F124 WeakPolarHBondContact SG-CB 3.42Å; T122-F124 PolarHBondContact O-N 3.16Å; F124-T126 HydrophobicContact CD1-CG2 4.37Å; F124-T126 HydrophobicContact CE1-CG2 4.04Å; F124-F137 PolarHBondContact N-O 3.38Å; F124-V138 HydrophobicContact CD1-CG1 4.38Å; F124-V138 CarbonylContact O-C 3.58Å; F124-V138 WeakPolarHBondContact O-CA 3.33Å; F124-I139 PolarHBondContact O-N 3.47Å
125	V	95.7	Very high	89	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	127.8	-179.2	-173.4	0	0	0	0	109.4	I101 F102 G103 I139 M141 A313 I317 L358	I101-V125 PolarHBondContact O-N 3.37Å; F102-V125 WeakPolarHBondContact CA-O 3.47Å; F102-V125 HydrophobicContact CD2-CB 4.38Å; F102-V125 HydrophobicContact CD2-CG1 4.42Å; F102-V125 WeakPolarHBondContact CD2-O 3.26Å; G103-V125 PolarHBondContact N-O 3.44Å; V125-I139 WeakPolarHBondContact CA-O 3.31Å; V125-I139 HydrophobicContact CB-CB 4.5Å; V125-I139 HydrophobicContact CG1-CB 4.33Å; V125-I139 HydrophobicContact CG1-CG2 4.37Å; V125-I139 HydrophobicContact CG2-CB 4.16Å; V125-I139 HydrophobicContact CG2-CG1 4.42Å; V125-M141 HydrophobicContact CG1-CG 3.99Å; V125-M141 HydrophobicContact CG1-SD 4.05Å; V125-A313 HydrophobicContact CG1-CB 3.9Å; V125-I317 HydrophobicContact CB-CD1 4.29Å; V125-I317 HydrophobicContact CG2-CD1 4.03Å; V125-I317 HydrophobicContact CG2-CG1 4Å; V125-L358 HydrophobicContact CG2-CD1 4.49Å
126	T	94.2	Very high	88.9	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	138.3	-171.8	-170.2	0	0	0	0	114.7	G103 Y105 F124 S128 V138 I139 Q140 M141	G103-T126 WeakPolarHBondContact O-CA 3.08Å; G103-T126 WeakPolarHBondContact O-CB 3.49Å; G103-T126 PolarHBondContact O-OG1 3.28Å; Y105-T126 HydrophobicContact CD1-CG2 4.22Å; Y105-T126 HydrophobicContact CE1-CG2 3.43Å; Y105-T126 VanDerWaalsContact CE1-CG2 3.43Å; F124-T126 HydrophobicContact CD1-CG2 4.37Å; F124-T126 HydrophobicContact CE1-CG2 4.04Å; T126-S128 WeakPolarHBondContact OG1-CB 3.36Å; T126-S128 PolarHBondContact OG1-N 2.82Å; T126-V138 HydrophobicContact CG2-CG1 4.3Å; T126-I139 PolarHBondContact N-O 2.99Å; T126-Q140 HydrophobicContact CG2-CG 4.22Å; T126-M141 PolarHBondContact O-N 3.49Å
127	P	93.4	Very high	89	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	18%	0.178	C	C	.	.			trans	-94.3	6.8	169.4	39.7	-36.7	0	0	0	113.1	F102 F104 R142 L309	F102-P127 HydrophobicContact CE2-CG 4.18Å; F102-P127 HydrophobicContact CZ-CG 3.94Å; F104-P127 HydrophobicContact CD1-CG 3.87Å; F104-P127 HydrophobicContact CE1-CB 4.38Å; F104-P127 HydrophobicContact CE1-CG 3.31Å; F104-P127 HydrophobicContact CE2-CG 4.15Å; F104-P127 HydrophobicContact CG-CG 4.49Å; F104-P127 HydrophobicContact CZ-CG 3.43Å; F104-P127 VanDerWaalsContact CZ-CG 3.43Å; P127-R142 PolarHBondContact O-NE 3Å; P127-R142 PolarHBondContact O-NH2 3.36Å; P127-L309 HydrophobicContact CB-CB 3.74Å; P127-L309 HydrophobicContact CB-CD1 4.3Å
128	S	90	Very high	89.1	Confident	6 Å²	6	29.4 Å²	29.4	4%	0.042	18%	0.179	C	C	.	.	S	Bend	trans	-64.1	176.1	175.2	-76.6	0	0	0	0	112.4	F104 Y105 T126 R142	F104-S128 WeakPolarHBondContact CA-OG 3.43Å; Y105-S128 PolarHBondContact N-OG 3.15Å; Y105-S128 PolarHBondContact O-OG 3.48Å; T126-S128 WeakPolarHBondContact OG1-CB 3.36Å; T126-S128 PolarHBondContact OG1-N 2.82Å; S128-R142 VanDerWaalsContact O-CB 3.25Å; S128-R142 WeakPolarHBondContact O-CB 3.34Å; S128-R142 PolarHBondContact O-NE 2.99Å
129	F	88	Confident	89.3	Confident	25 Å²	25	27.9 Å²	27.9	11%	0.11	16%	0.163	C	C	.	.			trans	-60.6	143.2	178.5	60.6	-92.7	0	0	0	111.7	Y105 Q107 M110	Y105-F129 HydrophobicContact CD2-CE1 4.17Å; Y105-F129 HydrophobicContact CD2-CZ 4.03Å; Y105-F129 HydrophobicContact CE2-CD1 4.43Å; Y105-F129 HydrophobicContact CE2-CD2 4.31Å; Y105-F129 HydrophobicContact CE2-CE1 4.07Å; Y105-F129 AromaticContact CE2-CE2 3.94Å; Y105-F129 HydrophobicContact CE2-CE2 3.94Å; Y105-F129 AromaticContact CE2-CZ 3.8Å; Y105-F129 HydrophobicContact CE2-CZ 3.8Å; Y105-F129 PolarHBondContact OH-O 3.28Å; Q107-F129 HydrophobicContact CB-CZ 4.03Å; M110-F129 HydrophobicContact SD-CE2 4.09Å; M110-F129 HydrophobicContact SD-CZ 4.49Å
130	P	88.1	Confident	89.5	Confident	41 Å²	41	25.4 Å²	25.4	27%	0.266	14%	0.142	S	C	.	.			trans	-70.1	150.7	-175.8	28.4	-34.9	0	0	0	112.2	Q140	P130-Q140 VanDerWaalsContact CA-OE1 3.23Å
131	T	81.8	Confident	89.7	Confident	12 Å²	12	25.3 Å²	25.3	7%	0.074	14%	0.141	C	C	.	.			trans	-105.9	137.3	175.6	71.1	0	0	0	0	110.8	Y105 M110 A133 Q140	Y105-T131 HydrophobicContact CE2-CG2 4.44Å; Y105-T131 WeakPolarHBondContact OH-CG2 3.37Å; M110-T131 HydrophobicContact CG-CG2 3.95Å; M110-T131 HydrophobicContact SD-CG2 3.3Å; M110-T131 WeakPolarHBondContact SD-CG2 3.43Å; T131-A133 VanDerWaalsContact C-N 3.32Å; T131-Q140 PolarHBondContact OG1-NE2 2.82Å
132	D	72.9	Confident	89.8	Confident	78 Å²	78	24 Å²	24	42%	0.417	13%	0.134	S	C	.	.			trans	-80.8	-13.7	175.3	-71.4	-43.4	0	0	0	112.9	K146 S172	D132-K146 IonicContact OD1-NZ 3.06Å; D132-K146 PolarHBondContact OD1-NZ 3.47Å; D132-K146 IonicContact OD2-NZ 2.95Å; D132-S172 WeakPolarHBondContact OD2-CB 3.36Å; D132-S172 PolarHBondContact OD2-OG 3.24Å
133	A	79.7	Confident	89.9	Confident	62 Å²	62	24 Å²	24	51%	0.512	14%	0.135	S	C	.	.	S	Bend	trans	-70	138.6	176	0	0	0	0	0	111.1	T131 V135	T131-A133 VanDerWaalsContact C-N 3.32Å; A133-V135 VanDerWaalsContact C-N 3.29Å; A133-V135 HydrophobicContact CB-CG2 3.9Å; A133-V135 PolarHBondContact O-N 3.49Å
134	D	85.1	Confident	89.7	Confident	98 Å²	98	25.4 Å²	25.4	52%	0.524	15%	0.146	S	C	.	.			trans	-76.7	80.9	176.8	-69.5	-24.4	0	0	0	109.8	Y375 R377	D134-Y375 HydrophobicContact CB-CD1 3.79Å; D134-Y375 HydrophobicContact CB-CE1 3.66Å; D134-Y375 HydrophobicContact CB-CG 4.39Å; D134-R377 IonicContact OD1-CZ 3.83Å; D134-R377 IonicContact OD1-NH1 3.41Å; D134-R377 PolarHBondContact OD1-NH1 2.91Å; D134-R377 IonicContact OD1-NH2 2.75Å
135	V	86.8	Confident	89.5	Confident	28 Å²	28	25.9 Å²	25.9	17%	0.17	15%	0.149	C	C	.	.			trans	-97.4	139.6	-178.7	-170.4	0	0	0	0	110.4	T114 A133 V138	T114-V135 HydrophobicContact CG2-CB 4.49Å; T114-V135 HydrophobicContact CG2-CG1 3.84Å; T114-V135 HydrophobicContact CG2-CG2 4.16Å; A133-V135 VanDerWaalsContact C-N 3.29Å; A133-V135 HydrophobicContact CB-CG2 3.9Å; A133-V135 PolarHBondContact O-N 3.49Å; V135-V138 HydrophobicContact CG1-CB 4.49Å; V135-V138 HydrophobicContact CG1-CG2 3.9Å
136	Q	88.3	Confident	89.3	Confident	118 Å²	118	29.3 Å²	29.3	55%	0.551	16%	0.164	S	C	*	.	S	Bend	trans	-95.4	159.1	173.1	-64.2	-177.1	-13.8	0	0	111.3	V138	Q136-V138 PolarHBondContact O-N 3.09Å
137	F	92.2	Very high	89.1	Confident	4 Å²	4	30.4 Å²	30.4	2%	0.018	18%	0.175	C	C	.	.	S	Bend	trans	63.4	16.8	-177.4	-56.8	-85.1	0	0	0	115.5	C117 H121 S123 F124 I352 E355	C117-F137 HydrophobicContact CB-CB 4.1Å; H121-F137 HydrophobicContact CB-CD1 4.29Å; H121-F137 HydrophobicContact CB-CE1 3.59Å; H121-F137 HydrophobicContact CB-CE2 4.28Å; H121-F137 HydrophobicContact CB-CZ 3.58Å; H121-F137 AromaticContact CD2-CE2 3.3Å; H121-F137 WeakPolarHBondContact CD2-CE2 3.24Å; H121-F137 AromaticContact CD2-CZ 3.26Å; H121-F137 WeakPolarHBondContact CD2-CZ 3.5Å; H121-F137 AromaticContact CG-CE1 3.96Å; H121-F137 AromaticContact CG-CE2 3.93Å; H121-F137 AromaticContact CG-CZ 3.4Å; H121-F137 AromaticContact NE2-CE2 3.99Å; H121-F137 AromaticContact NE2-CZ 3.95Å; S123-F137 WeakPolarHBondContact CA-O 3.28Å; F124-F137 PolarHBondContact N-O 3.38Å; F137-I352 HydrophobicContact CE1-CG1 4.26Å; F137-I352 HydrophobicContact CZ-CG1 3.96Å; F137-E355 WeakPolarHBondContact CA-OE1 3.38Å; F137-E355 HydrophobicContact CD1-CB 3.99Å; F137-E355 HydrophobicContact CD1-CG 4.23Å; F137-E355 WeakPolarHBondContact CD1-OE2 3.35Å; F137-E355 HydrophobicContact CE1-CB 4.17Å; F137-E355 WeakPolarHBondContact CE1-OE2 3.01Å; F137-E355 PolarHBondContact N-OE1 2.96Å
138	V	94.2	Very high	89	Confident	2 Å²	2	30.5 Å²	30.5	1%	0.012	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	123.9	176.6	-179.8	0	0	0	0	110	T114 C117 F124 T126 V135 Q136 Q140	T114-V138 HydrophobicContact CG2-CG2 4.26Å; C117-V138 HydrophobicContact CB-CG2 4.47Å; F124-V138 HydrophobicContact CD1-CG1 4.38Å; F124-V138 CarbonylContact O-C 3.58Å; F124-V138 WeakPolarHBondContact O-CA 3.33Å; T126-V138 HydrophobicContact CG2-CG1 4.3Å; V135-V138 HydrophobicContact CG1-CB 4.49Å; V135-V138 HydrophobicContact CG1-CG2 3.9Å; Q136-V138 PolarHBondContact O-N 3.09Å; V138-Q140 HydrophobicContact CG1-CG 4.09Å
139	I	94.8	Very high	89.2	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	119.5	176	-54.5	-55.5	0	0	0	108.8	F124 V125 T126 L358 K359 F372	F124-I139 PolarHBondContact O-N 3.47Å; V125-I139 WeakPolarHBondContact CA-O 3.31Å; V125-I139 HydrophobicContact CB-CB 4.5Å; V125-I139 HydrophobicContact CG1-CB 4.33Å; V125-I139 HydrophobicContact CG1-CG2 4.37Å; V125-I139 HydrophobicContact CG2-CB 4.16Å; V125-I139 HydrophobicContact CG2-CG1 4.42Å; T126-I139 PolarHBondContact N-O 2.99Å; I139-L358 HydrophobicContact CD1-CB 4.21Å; I139-L358 HydrophobicContact CG1-CB 4.07Å; I139-L358 HydrophobicContact CG1-CD1 4.23Å; I139-K359 HydrophobicContact CD1-CG 3.86Å; I139-F372 HydrophobicContact CG2-CD1 3.92Å; I139-F372 HydrophobicContact CG2-CE1 3.44Å; I139-F372 VanDerWaalsContact CG2-CE1 3.44Å; I139-F372 HydrophobicContact CG2-CE2 4.11Å; I139-F372 HydrophobicContact CG2-CG 4.44Å; I139-F372 HydrophobicContact CG2-CZ 3.54Å
140	Q	93.8	Very high	89.4	Confident	6 Å²	6	31.4 Å²	31.4	3%	0.028	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	114.2	-175.6	-61.4	178	6.5	0	0	110.2	T126 P130 T131 V138 G376	T126-Q140 HydrophobicContact CG2-CG 4.22Å; P130-Q140 VanDerWaalsContact CA-OE1 3.23Å; T131-Q140 PolarHBondContact OG1-NE2 2.82Å; V138-Q140 HydrophobicContact CG1-CG 4.09Å; Q140-G376 PolarHBondContact N-O 3.5Å
141	M	94.4	Very high	89.5	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.005	18%	0.177	C	C	.	.			trans	-78.7	-30.3	-179.1	-59.9	-62.1	-60.2	0	0	112.1	V125 T126 P143 L309 D312 A313 V316 I370 F372 R378	V125-M141 HydrophobicContact CG1-CG 3.99Å; V125-M141 HydrophobicContact CG1-SD 4.05Å; T126-M141 PolarHBondContact O-N 3.49Å; M141-P143 WeakPolarHBondContact O-CD 3.36Å; M141-L309 HydrophobicContact CB-CB 4.37Å; M141-L309 HydrophobicContact CB-CD2 4.02Å; M141-L309 WeakPolarHBondContact O-CD2 3.45Å; M141-D312 HydrophobicContact CE-CB 3.82Å; M141-A313 HydrophobicContact CE-CB 4.28Å; M141-A313 HydrophobicContact CG-CB 3.94Å; M141-A313 HydrophobicContact SD-CB 4.17Å; M141-V316 HydrophobicContact CE-CG2 4.05Å; M141-V316 HydrophobicContact SD-CG2 4.44Å; M141-I370 HydrophobicContact CE-CD1 4.34Å; M141-I370 HydrophobicContact CE-CG2 4.44Å; M141-F372 HydrophobicContact SD-CE1 4.25Å; M141-F372 HydrophobicContact SD-CZ 3.84Å; M141-R378 VanDerWaalsContact O-CD 3.23Å; M141-R378 WeakPolarHBondContact O-CD 3.45Å
142	R	93	Very high	90	Very high	20 Å²	20	30.3 Å²	30.3	8%	0.075	17%	0.174	C	C	.	.	S	Bend	trans	-78.2	122.8	-178.7	-166.2	-176.5	-57	-167.1	-3.1	110.2	P127 S128 L250 Y305 L309	P127-R142 PolarHBondContact O-NE 3Å; P127-R142 PolarHBondContact O-NH2 3.36Å; S128-R142 VanDerWaalsContact O-CB 3.25Å; S128-R142 WeakPolarHBondContact O-CB 3.34Å; S128-R142 PolarHBondContact O-NE 2.99Å; R142-L250 HydrophobicContact CG-CD1 3.67Å; R142-Y305 PolarHBondContact NH1-OH 3Å; R142-L309 HydrophobicContact CB-CD1 4.16Å; R142-L309 HydrophobicContact CG-CD1 4.29Å
143	P	92.1	Very high	90.9	Very high	3 Å²	3	26.6 Å²	26.6	2%	0.019	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-72.6	161.9	175.9	29.4	-34	0	0	0	112.7	M141 L250 I272 Y381	M141-P143 WeakPolarHBondContact O-CD 3.36Å; P143-L250 HydrophobicContact CG-CD1 4.1Å; P143-I272 HydrophobicContact CG-CD1 3.47Å; P143-I272 VanDerWaalsContact CG-CD1 3.47Å; P143-Y381 HydrophobicContact CB-CD1 3.62Å; P143-Y381 HydrophobicContact CB-CD2 3.5Å; P143-Y381 HydrophobicContact CB-CE1 3.54Å; P143-Y381 HydrophobicContact CB-CE2 3.41Å; P143-Y381 VanDerWaalsContact CB-CE2 3.41Å; P143-Y381 HydrophobicContact CB-CG 3.61Å; P143-Y381 VanDerWaalsContact CB-CZ 3.43Å; P143-Y381 HydrophobicContact CG-CD2 4.03Å; P143-Y381 HydrophobicContact CG-CE2 4.17Å; P143-Y381 HydrophobicContact CG-CG 4.34Å
144	A	89.9	Confident	91.3	Very high	29 Å²	29	25.6 Å²	25.6	24%	0.24	15%	0.15	C	C	.	.	P	Polyproline II helix	trans	-74.9	128.9	176.4	0	0	0	0	0	111.8	K146 Y381	A144-K146 HydrophobicContact CB-CG 4.49Å; A144-Y381 PolarHBondContact N-OH 2.89Å; A144-Y381 PolarHBondContact O-OH 3.36Å
145	L	91.4	Very high	91.5	Very high	11 Å²	11	25.3 Å²	25.3	6%	0.058	15%	0.146	C	C	.	.			trans	-91.8	-15	-179.9	-166.5	61.5	0	0	0	113.4	G147 A148 I149 A248 L250 F270 I383	L145-G147 PolarHBondContact O-N 3.11Å; L145-A148 HydrophobicContact CD1-CB 4.09Å; L145-A148 PolarHBondContact O-N 3.42Å; L145-A148 VanDerWaalsContact O-N 3.15Å; L145-I149 HydrophobicContact CB-CD1 4.42Å; L145-I149 HydrophobicContact CD2-CD1 3.96Å; L145-I149 HydrophobicContact CD2-CG1 4.43Å; L145-I149 HydrophobicContact CG-CD1 3.79Å; L145-I149 HydrophobicContact CG-CG1 4Å; L145-I149 PolarHBondContact O-N 3.47Å; L145-I149 VanDerWaalsContact O-N 3.11Å; L145-A248 VanDerWaalsContact CD2-C 3.49Å; L145-A248 HydrophobicContact CD2-CB 4.15Å; L145-L250 HydrophobicContact CD1-CD2 3.9Å; L145-F270 HydrophobicContact CD1-CB 4.13Å; L145-F270 HydrophobicContact CD1-CD1 4.16Å; L145-F270 HydrophobicContact CD1-CD2 3.89Å; L145-F270 HydrophobicContact CD1-CE2 4.34Å; L145-F270 HydrophobicContact CD1-CG 3.79Å; L145-F270 HydrophobicContact CD2-CD2 4.11Å; L145-F270 HydrophobicContact CD2-CE2 4.49Å; L145-F270 HydrophobicContact CG-CD2 4.41Å; L145-I383 HydrophobicContact CD1-CD1 3.91Å
146	K	90.8	Very high	91.6	Very high	72 Å²	72	26.6 Å²	26.6	31%	0.313	15%	0.148	S	C	.	.	H	α-helix	trans	-55.6	-44	-173.8	64.2	-172.4	179.2	-172.3	0	113.5	D132 A144 A148 L150 I173 A176	D132-K146 IonicContact OD1-NZ 3.06Å; D132-K146 PolarHBondContact OD1-NZ 3.47Å; D132-K146 IonicContact OD2-NZ 2.95Å; A144-K146 HydrophobicContact CB-CG 4.49Å; K146-A148 PolarHBondContact O-N 3.09Å; K146-L150 WeakPolarHBondContact O-CG 3.21Å; K146-L150 PolarHBondContact O-N 3.3Å; K146-L150 VanDerWaalsContact O-N 3.16Å; K146-I173 HydrophobicContact CB-CG1 4.47Å; K146-A176 HydrophobicContact CB-CB 4.33Å
147	G	90	Very high	91.6	Very high	23 Å²	23	29.1 Å²	29.1	24%	0.237	16%	0.157	C	C	.	.	H	α-helix	trans	-66.2	-37.9	179.6	0	0	0	0	0	113.5	L145 S151 W399	L145-G147 PolarHBondContact O-N 3.11Å; G147-S151 WeakPolarHBondContact O-CB 3.35Å; G147-S151 PolarHBondContact O-N 3.38Å; G147-S151 VanDerWaalsContact O-N 3.08Å; G147-S151 PolarHBondContact O-OG 3.47Å; G147-W399 VanDerWaalsContact C-CZ2 3.41Å; G147-W399 PolarHBondContact O-NE1 3.21Å
148	A	91.9	Very high	91.5	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.008	16%	0.157	C	C	.	.	H	α-helix	trans	-67.4	-44.7	178.5	0	0	0	0	0	111.7	L145 K146 S151 L152 F270 I383 W399	L145-A148 HydrophobicContact CD1-CB 4.09Å; L145-A148 PolarHBondContact O-N 3.42Å; L145-A148 VanDerWaalsContact O-N 3.15Å; K146-A148 PolarHBondContact O-N 3.09Å; A148-S151 PolarHBondContact O-N 2.87Å; A148-L152 WeakPolarHBondContact O-CB 3.43Å; A148-L152 PolarHBondContact O-N 3.34Å; A148-F270 HydrophobicContact CB-CD1 4.32Å; A148-F270 HydrophobicContact CB-CE1 3.93Å; A148-I383 HydrophobicContact CB-CD1 4.41Å; A148-W399 HydrophobicContact CB-CB 4.37Å; A148-W399 HydrophobicContact CB-CD2 3.72Å; A148-W399 HydrophobicContact CB-CE3 4.06Å; A148-W399 HydrophobicContact CB-CG 3.84Å
149	I	93.1	Very high	91.1	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-61.3	-49.3	177.9	-67.1	165.1	0	0	0	110.7	L145 S151 L152 L153 I173 I177 L218 A248 F270	L145-I149 HydrophobicContact CB-CD1 4.42Å; L145-I149 HydrophobicContact CD2-CD1 3.96Å; L145-I149 HydrophobicContact CD2-CG1 4.43Å; L145-I149 HydrophobicContact CG-CD1 3.79Å; L145-I149 HydrophobicContact CG-CG1 4Å; L145-I149 PolarHBondContact O-N 3.47Å; L145-I149 VanDerWaalsContact O-N 3.11Å; I149-S151 VanDerWaalsContact C-N 3.31Å; I149-S151 PolarHBondContact O-N 2.9Å; I149-L152 PolarHBondContact O-N 3Å; I149-L153 HydrophobicContact CG2-CD1 3.94Å; I149-L153 HydrophobicContact CG2-CG 4.29Å; I149-L153 WeakPolarHBondContact O-CG 3.38Å; I149-L153 PolarHBondContact O-N 3.43Å; I149-I173 HydrophobicContact CD1-CD1 4.34Å; I149-I173 HydrophobicContact CD1-CG2 3.91Å; I149-I177 HydrophobicContact CG2-CD1 4.49Å; I149-L218 HydrophobicContact CG2-CD1 4.31Å; I149-L218 HydrophobicContact CG2-CD2 3.88Å; I149-A248 HydrophobicContact CD1-CB 3.67Å; I149-A248 HydrophobicContact CG1-CB 4.47Å; I149-F270 HydrophobicContact CG1-CE2 3.89Å; I149-F270 HydrophobicContact CG1-CZ 3.94Å
150	L	92.4	Very high	90.9	Very high	50 Å²	50	39.5 Å²	39.5	26%	0.262	20%	0.204	S	C	.	.	H	α-helix	trans	-61.8	-40.1	-179.9	-68.9	177	0	0	0	112.2	K146 L152 G154 A176 I177 A180 W186	K146-L150 WeakPolarHBondContact O-CG 3.21Å; K146-L150 PolarHBondContact O-N 3.3Å; K146-L150 VanDerWaalsContact O-N 3.16Å; L150-L152 VanDerWaalsContact C-N 3.33Å; L150-L152 PolarHBondContact O-N 3.45Å; L150-G154 PolarHBondContact O-N 3.2Å; L150-A176 HydrophobicContact CD1-CB 4.37Å; L150-I177 HydrophobicContact CD2-CG1 4.4Å; L150-A180 HydrophobicContact CD2-CB 3.6Å; L150-W186 HydrophobicContact CD2-CZ3 4.26Å
151	S	91.3	Very high	90.9	Very high	28 Å²	28	39.2 Å²	39.2	20%	0.196	20%	0.203	C	C	.	.	H	α-helix	trans	-63.7	-40.3	176.3	-57.7	0	0	0	0	111.6	G147 A148 I149 G154 H155 W399	G147-S151 WeakPolarHBondContact O-CB 3.35Å; G147-S151 PolarHBondContact O-N 3.38Å; G147-S151 VanDerWaalsContact O-N 3.08Å; G147-S151 PolarHBondContact O-OG 3.47Å; A148-S151 PolarHBondContact O-N 2.87Å; I149-S151 VanDerWaalsContact C-N 3.31Å; I149-S151 PolarHBondContact O-N 2.9Å; S151-G154 PolarHBondContact O-N 2.86Å; S151-H155 PolarHBondContact O-N 3.12Å; S151-W399 PolarHBondContact OG-NE1 3.29Å
152	L	91.6	Very high	90.9	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-73.1	-38	-179.6	-164.4	63	0	0	0	112.4	A148 I149 L150 G154 H155 Y156 M246 F270 V385 F405	A148-L152 WeakPolarHBondContact O-CB 3.43Å; A148-L152 PolarHBondContact O-N 3.34Å; I149-L152 PolarHBondContact O-N 3Å; L150-L152 VanDerWaalsContact C-N 3.33Å; L150-L152 PolarHBondContact O-N 3.45Å; L152-G154 VanDerWaalsContact C-N 3.3Å; L152-G154 PolarHBondContact O-N 3.39Å; L152-H155 PolarHBondContact O-N 3.04Å; L152-Y156 HydrophobicContact CD1-CD2 4Å; L152-Y156 HydrophobicContact CD1-CE2 3.48Å; L152-Y156 VanDerWaalsContact CD1-CE2 3.48Å; L152-Y156 HydrophobicContact CD2-CE2 4.08Å; L152-Y156 HydrophobicContact CG-CD2 3.81Å; L152-Y156 HydrophobicContact CG-CE2 3.57Å; L152-Y156 WeakPolarHBondContact O-CD2 3.37Å; L152-Y156 PolarHBondContact O-N 3.24Å; L152-M246 HydrophobicContact CB-CE 4.22Å; L152-M246 HydrophobicContact CD2-CE 3.6Å; L152-M246 HydrophobicContact CD2-CG 4.36Å; L152-M246 HydrophobicContact CD2-SD 3.86Å; L152-M246 HydrophobicContact CG-CE 3.7Å; L152-M246 HydrophobicContact CG-SD 4.37Å; L152-F270 HydrophobicContact CD2-CE1 3.9Å; L152-F270 HydrophobicContact CD2-CZ 3.68Å; L152-V385 HydrophobicContact CD1-CG1 4.23Å; L152-V385 HydrophobicContact CD2-CG1 4.13Å; L152-F405 HydrophobicContact CD1-CD1 4.33Å; L152-F405 HydrophobicContact CD1-CE1 4.1Å; L152-F405 HydrophobicContact CD1-CE2 4.35Å; L152-F405 HydrophobicContact CD1-CZ 4.11Å
153	L	92.3	Very high	90.9	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-59.4	-41.9	171.1	-72.5	173.1	0	0	0	111.4	I149 K157 W158 F161 W186 M246	I149-L153 HydrophobicContact CG2-CD1 3.94Å; I149-L153 HydrophobicContact CG2-CG 4.29Å; I149-L153 WeakPolarHBondContact O-CG 3.38Å; I149-L153 PolarHBondContact O-N 3.43Å; L153-K157 PolarHBondContact O-N 3.41Å; L153-K157 VanDerWaalsContact O-N 3.08Å; L153-W158 HydrophobicContact CD2-CB 4.11Å; L153-W158 HydrophobicContact CD2-CD2 4.02Å; L153-W158 HydrophobicContact CD2-CE3 3.5Å; L153-W158 VanDerWaalsContact CD2-CE3 3.5Å; L153-W158 HydrophobicContact CD2-CG 4.33Å; L153-W158 HydrophobicContact CD2-CZ3 4.18Å; L153-W158 PolarHBondContact O-N 3.47Å; L153-W158 VanDerWaalsContact O-N 3.15Å; L153-F161 HydrophobicContact CD1-CZ 3.96Å; L153-F161 HydrophobicContact CD2-CE1 4.2Å; L153-F161 HydrophobicContact CD2-CE2 4.5Å; L153-F161 HydrophobicContact CD2-CZ 4.17Å; L153-W186 HydrophobicContact CB-CH2 3.96Å; L153-W186 HydrophobicContact CB-CZ3 4.4Å; L153-W186 HydrophobicContact CD1-CH2 4.34Å; L153-W186 HydrophobicContact CD1-CZ3 3.97Å; L153-M246 HydrophobicContact CD2-CE 4.32Å; L153-M246 HydrophobicContact CD2-SD 4.5Å
154	G	88.2	Confident	91	Very high	42 Å²	42	38.4 Å²	38.4	43%	0.433	20%	0.2	S	C	.	.	H	α-helix	trans	-63.9	-43.6	173	0	0	0	0	0	112.9	L150 S151 L152 Y156 K157	L150-G154 PolarHBondContact O-N 3.2Å; S151-G154 PolarHBondContact O-N 2.86Å; L152-G154 VanDerWaalsContact C-N 3.3Å; L152-G154 PolarHBondContact O-N 3.39Å; G154-Y156 PolarHBondContact O-N 3.27Å; G154-K157 PolarHBondContact O-N 3.08Å; G154-K157 VanDerWaalsContact O-N 3.17Å
155	H	89.4	Confident	91	Very high	91 Å²	91	38.9 Å²	38.9	42%	0.421	20%	0.195	S	C	.	.	H	α-helix	trans	-59.9	-46.8	177.7	179.4	76.1	0	0	0	112.3	S151 L152 K157 F405	S151-H155 PolarHBondContact O-N 3.12Å; L152-H155 PolarHBondContact O-N 3.04Å; H155-K157 VanDerWaalsContact C-N 3.26Å; H155-K157 PolarHBondContact O-N 3.37Å; H155-F405 HydrophobicContact CB-CD1 3.96Å; H155-F405 HydrophobicContact CB-CE1 4.33Å; H155-F405 AromaticContact CD2-CE1 3.69Å; H155-F405 AromaticContact CE1-CE1 3.86Å; H155-F405 AromaticContact CG-CD1 3.72Å; H155-F405 AromaticContact CG-CE1 3.68Å; H155-F405 AromaticContact ND1-CD1 3.82Å; H155-F405 AromaticContact ND1-CE1 3.78Å; H155-F405 AromaticContact NE2-CE1 3.81Å
156	Y	88.4	Confident	90.9	Very high	56 Å²	56	38.4 Å²	38.4	22%	0.22	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-4.4	178	-70.4	-61.1	0	0	0	114.3	L152 G154 W158 M246 T268	L152-Y156 HydrophobicContact CD1-CD2 4Å; L152-Y156 HydrophobicContact CD1-CE2 3.48Å; L152-Y156 VanDerWaalsContact CD1-CE2 3.48Å; L152-Y156 HydrophobicContact CD2-CE2 4.08Å; L152-Y156 HydrophobicContact CG-CD2 3.81Å; L152-Y156 HydrophobicContact CG-CE2 3.57Å; L152-Y156 WeakPolarHBondContact O-CD2 3.37Å; L152-Y156 PolarHBondContact O-N 3.24Å; G154-Y156 PolarHBondContact O-N 3.27Å; Y156-W158 VanDerWaalsContact C-N 3.32Å; Y156-W158 VanDerWaalsContact CB-CD1 3.41Å; Y156-W158 PolarHBondContact O-N 2.89Å; Y156-M246 HydrophobicContact CD2-CE 3.94Å; Y156-M246 HydrophobicContact CE2-CE 4.24Å; Y156-T268 HydrophobicContact CE2-CG2 3.94Å; Y156-T268 VanDerWaalsContact OH-CG2 3.23Å; Y156-T268 WeakPolarHBondContact OH-CG2 3.49Å
157	K	88.3	Confident	90.5	Very high	171 Å²	171	36.6 Å²	36.6	74%	0.743	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.7	48.6	-177.7	-57	178.9	179.9	179.5	0	112	L153 G154 H155 E159	L153-K157 PolarHBondContact O-N 3.41Å; L153-K157 VanDerWaalsContact O-N 3.08Å; G154-K157 PolarHBondContact O-N 3.08Å; G154-K157 VanDerWaalsContact O-N 3.17Å; H155-K157 VanDerWaalsContact C-N 3.26Å; H155-K157 PolarHBondContact O-N 3.37Å; K157-E159 PolarHBondContact O-N 3.41Å
158	W	90.5	Very high	90	Very high	5 Å²	5	39.7 Å²	39.7	2%	0.019	20%	0.196	C	C	.	.			trans	-77.9	118	176.7	-78.5	21.6	0	0	0	110.9	L153 Y156 F161 W186 R216 H244 M246	L153-W158 HydrophobicContact CD2-CB 4.11Å; L153-W158 HydrophobicContact CD2-CD2 4.02Å; L153-W158 HydrophobicContact CD2-CE3 3.5Å; L153-W158 VanDerWaalsContact CD2-CE3 3.5Å; L153-W158 HydrophobicContact CD2-CG 4.33Å; L153-W158 HydrophobicContact CD2-CZ3 4.18Å; L153-W158 PolarHBondContact O-N 3.47Å; L153-W158 VanDerWaalsContact O-N 3.15Å; Y156-W158 VanDerWaalsContact C-N 3.32Å; Y156-W158 VanDerWaalsContact CB-CD1 3.41Å; Y156-W158 PolarHBondContact O-N 2.89Å; W158-F161 HydrophobicContact CB-CD1 4.09Å; W158-F161 HydrophobicContact CE3-CB 3.68Å; W158-F161 HydrophobicContact CE3-CD1 4.06Å; W158-F161 HydrophobicContact CE3-CD2 4.43Å; W158-F161 AromaticContact CE3-CG 3.83Å; W158-F161 HydrophobicContact CE3-CG 3.83Å; W158-F161 HydrophobicContact CZ3-CB 4.05Å; W158-F161 HydrophobicContact CZ3-CG 4.38Å; W158-W186 PolarHBondContact O-NE1 2.75Å; W158-R216 HydrophobicContact CD2-CB 4.31Å; W158-R216 HydrophobicContact CD2-CG 4.45Å; W158-R216 HydrophobicContact CE3-CB 4.11Å; W158-R216 HydrophobicContact CH2-CB 4.09Å; W158-R216 HydrophobicContact CZ2-CB 4.29Å; W158-R216 HydrophobicContact CZ2-CG 4.36Å; W158-R216 HydrophobicContact CZ3-CB 3.99Å; W158-H244 HydrophobicContact CZ2-CB 3.98Å; W158-H244 AromaticContact CZ2-CD2 3.85Å; W158-H244 AromaticContact CZ2-CE1 3.73Å; W158-H244 AromaticContact CZ2-CG 3.53Å; W158-H244 AromaticContact CZ2-ND1 3.47Å; W158-H244 WeakPolarHBondContact CZ2-ND1 3.33Å; W158-H244 AromaticContact CZ2-NE2 3.96Å; W158-H244 AromaticContact NE1-ND1 3.91Å; W158-M246 HydrophobicContact CH2-CB 3.99Å; W158-M246 HydrophobicContact CH2-CE 4.31Å; W158-M246 HydrophobicContact CZ2-CE 4.39Å; W158-M246 HydrophobicContact CZ3-CB 4.46Å
159	E	86.4	Confident	89.3	Confident	139 Å²	139	41.2 Å²	41.2	65%	0.65	20%	0.202	S	C	*	.			trans	-100.7	-29.7	175.9	-64.1	175.5	179.8	0	0	113	K157 W186 Q187	K157-E159 PolarHBondContact O-N 3.41Å; E159-W186 CarbonylContact O-C 3.53Å; E159-W186 VanDerWaalsContact O-CA 3.28Å; E159-W186 WeakPolarHBondContact O-CA 2.64Å; E159-Q187 PolarHBondContact O-N 3.3Å
160	K	89.8	Confident	88.5	Confident	80 Å²	80	42 Å²	42	35%	0.348	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	124.8	-177.2	-171.4	-179.8	-165.3	-134.4	0	110.2	Q187 E214 R216	K160-Q187 WeakPolarHBondContact CA-O 3.46Å; K160-Q187 HydrophobicContact CB-CB 4.26Å; K160-Q187 HydrophobicContact CG-CB 3.93Å; K160-E214 WeakPolarHBondContact CE-OE1 3.41Å; K160-E214 IonicContact NZ-OE1 3.25Å; K160-E214 PolarHBondContact NZ-OE1 3.29Å; K160-E214 IonicContact NZ-OE2 3.43Å; K160-R216 WeakPolarHBondContact O-CD 3.44Å
161	F	93.4	Very high	88.2	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	161.8	-178.7	58.8	-87.6	0	0	0	112.8	L153 W158 I177 W186 Q187 V188 T189 R216 L218	L153-F161 HydrophobicContact CD1-CZ 3.96Å; L153-F161 HydrophobicContact CD2-CE1 4.2Å; L153-F161 HydrophobicContact CD2-CE2 4.5Å; L153-F161 HydrophobicContact CD2-CZ 4.17Å; W158-F161 HydrophobicContact CB-CD1 4.09Å; W158-F161 HydrophobicContact CE3-CB 3.68Å; W158-F161 HydrophobicContact CE3-CD1 4.06Å; W158-F161 HydrophobicContact CE3-CD2 4.43Å; W158-F161 AromaticContact CE3-CG 3.83Å; W158-F161 HydrophobicContact CE3-CG 3.83Å; W158-F161 HydrophobicContact CZ3-CB 4.05Å; W158-F161 HydrophobicContact CZ3-CG 4.38Å; F161-I177 HydrophobicContact CE2-CG2 4.26Å; F161-I177 HydrophobicContact CZ-CG2 4.13Å; F161-W186 HydrophobicContact CE1-CB 4.5Å; F161-W186 HydrophobicContact CE1-CD2 4.38Å; F161-W186 HydrophobicContact CE1-CE3 4.14Å; F161-W186 HydrophobicContact CZ-CE3 4.23Å; F161-Q187 PolarHBondContact N-O 3.04Å; F161-V188 HydrophobicContact CD2-CG1 4.37Å; F161-V188 HydrophobicContact CE1-CG2 3.91Å; F161-V188 HydrophobicContact CE2-CG1 3.89Å; F161-V188 HydrophobicContact CE2-CG2 3.94Å; F161-V188 HydrophobicContact CZ-CG1 4.34Å; F161-V188 HydrophobicContact CZ-CG2 3.53Å; F161-T189 PolarHBondContact O-N 2.95Å; F161-R216 HydrophobicContact CB-CB 3.83Å; F161-L218 HydrophobicContact CD2-CB 4.4Å; F161-L218 HydrophobicContact CE2-CD2 4.35Å
162	V	94.3	Very high	88	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	131.8	175.3	-179.4	0	0	0	0	109.1	L164 T189 M209 E214 R216 Y217 L218	V162-L164 HydrophobicContact CG1-CD2 3.87Å; V162-L164 HydrophobicContact CG1-CG 4.29Å; V162-T189 WeakPolarHBondContact CA-O 3.14Å; V162-M209 HydrophobicContact CG1-CG 4.22Å; V162-M209 HydrophobicContact CG1-SD 4.26Å; V162-M209 HydrophobicContact CG2-CB 4.38Å; V162-M209 HydrophobicContact CG2-CG 4.08Å; V162-M209 HydrophobicContact CG2-SD 3.9Å; V162-E214 HydrophobicContact CG2-CB 3.65Å; V162-E214 HydrophobicContact CG2-CG 3.77Å; V162-R216 PolarHBondContact N-O 3.24Å; V162-Y217 HydrophobicContact CB-CD1 3.81Å; V162-Y217 HydrophobicContact CB-CE1 3.99Å; V162-Y217 HydrophobicContact CG1-CD1 4.01Å; V162-Y217 HydrophobicContact CG1-CE1 4.11Å; V162-Y217 HydrophobicContact CG2-CD1 4.4Å; V162-Y217 HydrophobicContact CG2-CE1 4.12Å; V162-Y217 CarbonylContact O-C 3.56Å; V162-Y217 WeakPolarHBondContact O-CA 3.47Å; V162-L218 PolarHBondContact O-N 3.37Å
163	Y	94.6	Very high	87.9	Confident	2 Å²	2	45.5 Å²	45.5	1%	0.008	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	109.8	175.6	179.1	-120.5	0	0	0	109.8	Y165 L174 I177 T189 A190 R191 L218 D220	Y163-Y165 AromaticContact CD1-CD1 3.79Å; Y163-Y165 HydrophobicContact CD1-CD1 3.79Å; Y163-Y165 HydrophobicContact CD1-CG 4.29Å; Y163-Y165 VanDerWaalsContact CE1-CB 3.44Å; Y163-Y165 AromaticContact CE1-CD1 3.76Å; Y163-Y165 HydrophobicContact CE1-CD1 3.76Å; Y163-Y165 AromaticContact CE1-CG 3.81Å; Y163-Y165 HydrophobicContact CE1-CG 3.81Å; Y163-L174 HydrophobicContact CD1-CD1 3.57Å; Y163-L174 HydrophobicContact CE1-CB 3.81Å; Y163-L174 HydrophobicContact CE1-CD1 3.47Å; Y163-L174 VanDerWaalsContact CE1-CD1 3.47Å; Y163-L174 HydrophobicContact CE1-CG 4.17Å; Y163-I177 HydrophobicContact CD2-CD1 3.98Å; Y163-I177 HydrophobicContact CE1-CD1 4.4Å; Y163-I177 HydrophobicContact CE2-CD1 3.7Å; Y163-I177 HydrophobicContact CG-CD1 4.43Å; Y163-T189 PolarHBondContact N-O 2.88Å; Y163-A190 HydrophobicContact CD1-CB 4.26Å; Y163-A190 CarbonylContact O-C 3.56Å; Y163-A190 WeakPolarHBondContact O-CA 3.49Å; Y163-R191 PolarHBondContact O-N 3.27Å; Y163-L218 WeakPolarHBondContact CA-O 3.18Å; Y163-L218 HydrophobicContact CD2-CB 4.01Å; Y163-L218 HydrophobicContact CD2-CD2 3.53Å; Y163-L218 HydrophobicContact CD2-CG 3.63Å; Y163-L218 HydrophobicContact CE2-CD2 3.85Å; Y163-L218 HydrophobicContact CE2-CG 3.99Å; Y163-D220 HydrophobicContact CE2-CB 3.69Å; Y163-D220 PolarHBondContact OH-OD2 2.89Å
164	L	92.7	Very high	87.8	Confident	5 Å²	5	46.7 Å²	46.7	3%	0.026	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	119.5	174.6	-58.4	-176.1	0	0	0	108.1	V162 R191 V193 I205 Y217 L218 I219 D220	V162-L164 HydrophobicContact CG1-CD2 3.87Å; V162-L164 HydrophobicContact CG1-CG 4.29Å; L164-R191 WeakPolarHBondContact CA-O 3.25Å; L164-R191 HydrophobicContact CD2-CB 3.9Å; L164-V193 HydrophobicContact CB-CG1 4.34Å; L164-V193 HydrophobicContact CB-CG2 4.5Å; L164-V193 HydrophobicContact CD2-CG1 4.25Å; L164-I205 HydrophobicContact CD2-CG2 4.3Å; L164-Y217 HydrophobicContact CD1-CD1 4.47Å; L164-L218 PolarHBondContact N-O 3.11Å; L164-I219 HydrophobicContact CD1-CG1 4.36Å; L164-D220 PolarHBondContact O-N 3.07Å
165	Y	90.9	Very high	87.9	Confident	38 Å²	38	50.1 Å²	50.1	15%	0.149	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	150.3	-174.9	71.9	-88.5	0	0	0	113.3	Y163 T167 F171 L174 A190 R191 S192 V193 D220	Y163-Y165 AromaticContact CD1-CD1 3.79Å; Y163-Y165 HydrophobicContact CD1-CD1 3.79Å; Y163-Y165 HydrophobicContact CD1-CG 4.29Å; Y163-Y165 VanDerWaalsContact CE1-CB 3.44Å; Y163-Y165 AromaticContact CE1-CD1 3.76Å; Y163-Y165 HydrophobicContact CE1-CD1 3.76Å; Y163-Y165 AromaticContact CE1-CG 3.81Å; Y163-Y165 HydrophobicContact CE1-CG 3.81Å; Y165-T167 HydrophobicContact CE2-CG2 4.11Å; Y165-F171 HydrophobicContact CE2-CD1 4.24Å; Y165-F171 AromaticContact CE2-CE1 3.9Å; Y165-F171 HydrophobicContact CE2-CE1 3.9Å; Y165-L174 HydrophobicContact CE1-CD2 4.13Å; Y165-L174 HydrophobicContact CE2-CD2 4.2Å; Y165-A190 HydrophobicContact CD1-CB 4.43Å; Y165-A190 HydrophobicContact CE1-CB 4.07Å; Y165-R191 WeakPolarHBondContact CD1-O 3.48Å; Y165-R191 PolarHBondContact N-O 2.91Å; Y165-R191 VanDerWaalsContact N-O 3.11Å; Y165-S192 WeakPolarHBondContact O-CA 3.45Å; Y165-V193 VanDerWaalsContact O-CG2 3.32Å; Y165-V193 WeakPolarHBondContact O-CG2 3.5Å; Y165-V193 PolarHBondContact O-N 3.31Å; Y165-D220 WeakPolarHBondContact CA-O 3.45Å
166	D	88.4	Confident	88	Confident	2 Å²	2	46.6 Å²	46.6	1%	0.011	22%	0.222	C	C	.	.			trans	-90.4	136.4	173.1	-170.8	2.1	0	0	0	111.6	E168 R169 G194 D220 R225	D166-E168 PolarHBondContact OD1-N 2.92Å; D166-R169 HydrophobicContact CB-CG 4.4Å; D166-G194 WeakPolarHBondContact OD1-CA 3.07Å; D166-D220 PolarHBondContact N-O 3.04Å; D166-R225 IonicContact OD1-CZ 2.62Å; D166-R225 IonicContact OD1-NH1 3.61Å; D166-R225 PolarHBondContact OD1-NH1 3.35Å; D166-R225 IonicContact OD2-CZ 3.63Å; D166-R225 IonicContact OD2-NH1 3.84Å; D166-R225 PolarHBondContact OD2-NH1 3.35Å
167	T	83.8	Confident	88.2	Confident	34 Å²	34	44 Å²	44	21%	0.209	21%	0.212	C	C	.	.	S	Bend	trans	-78.9	-19.3	175.1	44.5	0	0	0	0	113.2	Q107 Y165 R169 F171 S192	Q107-T167 PolarHBondContact OE1-O 3.44Å; Y165-T167 HydrophobicContact CE2-CG2 4.11Å; T167-R169 VanDerWaalsContact C-N 3.35Å; T167-F171 HydrophobicContact CG2-CE1 4.2Å; T167-F171 HydrophobicContact CG2-CZ 4.25Å; T167-S192 WeakPolarHBondContact CG2-OG 3.34Å
168	E	78	Confident	88.4	Confident	88 Å²	88	39.5 Å²	39.5	41%	0.411	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-22.5	-177.4	-63.6	173.7	148.8	0	0	112.5	D166 R225	D166-E168 PolarHBondContact OD1-N 2.92Å; E168-R225 IonicContact OE2-CZ 2.79Å; E168-R225 IonicContact OE2-NH1 2.64Å; E168-R225 IonicContact OE2-NH2 3.63Å; E168-R225 PolarHBondContact OE2-NH2 3.41Å
169	R	77.2	Confident	88.5	Confident	33 Å²	33	44.2 Å²	44.2	13%	0.125	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	1.5	-177.3	-63.9	-177	60.6	-165.2	-14.2	114.3	D166 T167 D220 C221 A248	D166-R169 HydrophobicContact CB-CG 4.4Å; T167-R169 VanDerWaalsContact C-N 3.35Å; R169-D220 IonicContact CZ-OD1 3.05Å; R169-D220 VanDerWaalsContact CZ-OD1 3.29Å; R169-D220 IonicContact NE-OD1 3.24Å; R169-D220 IonicContact NH1-OD1 2.8Å; R169-D220 PolarHBondContact NH1-OD1 3.38Å; R169-D220 IonicContact NH2-OD1 3.86Å; R169-D220 PolarHBondContact NH2-OD1 3.25Å; R169-C221 PolarHBondContact NH1-O 2.84Å; R169-A248 PolarHBondContact NH1-O 2.83Å
170	G	77.4	Confident	88.7	Confident	16 Å²	16	38 Å²	38	17%	0.165	19%	0.19	C	C	.	.			trans	81.9	173.1	-175.8	0	0	0	0	0	115.1
171	F	84.8	Confident	88.8	Confident	95 Å²	95	34.6 Å²	34.6	42%	0.417	18%	0.176	S	C	.	.	S	Bend	trans	-105.1	6.2	-171.2	-56.7	-75.6	0	0	0	114.3	Y165 T167 I173 L174 Q175	Y165-F171 HydrophobicContact CE2-CD1 4.24Å; Y165-F171 AromaticContact CE2-CE1 3.9Å; Y165-F171 HydrophobicContact CE2-CE1 3.9Å; T167-F171 HydrophobicContact CG2-CE1 4.2Å; T167-F171 HydrophobicContact CG2-CZ 4.25Å; F171-I173 PolarHBondContact O-N 2.74Å; F171-L174 HydrophobicContact CD1-CD2 3.97Å; F171-L174 WeakPolarHBondContact O-CB 3.45Å; F171-L174 PolarHBondContact O-N 3.4Å; F171-Q175 WeakPolarHBondContact O-CB 3.41Å; F171-Q175 PolarHBondContact O-N 2.85Å
172	S	86.8	Confident	88.7	Confident	36 Å²	36	40.6 Å²	40.6	25%	0.252	21%	0.213	S	C	.	.	H	α-helix	trans	-56.9	-46	-175	175.2	0	0	0	0	112.4	D132 Q175 A176	D132-S172 WeakPolarHBondContact OD2-CB 3.36Å; D132-S172 PolarHBondContact OD2-OG 3.24Å; S172-Q175 PolarHBondContact O-N 3.22Å; S172-A176 PolarHBondContact O-N 3.03Å; S172-A176 VanDerWaalsContact O-N 3.1Å
173	I	90	Very high	88.6	Confident	22 Å²	22	48.2 Å²	48.2	11%	0.113	25%	0.248	C	C	.	.	H	α-helix	trans	-68	-43.3	179.3	-62.8	172.9	0	0	0	110.5	K146 I149 F171 Q175 A176 I177 D220	K146-I173 HydrophobicContact CB-CG1 4.47Å; I149-I173 HydrophobicContact CD1-CD1 4.34Å; I149-I173 HydrophobicContact CD1-CG2 3.91Å; F171-I173 PolarHBondContact O-N 2.74Å; I173-Q175 VanDerWaalsContact C-N 3.35Å; I173-Q175 PolarHBondContact O-N 2.9Å; I173-A176 PolarHBondContact O-N 3.29Å; I173-I177 HydrophobicContact CG2-CD1 3.74Å; I173-I177 HydrophobicContact CG2-CG1 4.4Å; I173-I177 VanDerWaalsContact O-CG1 3.31Å; I173-I177 WeakPolarHBondContact O-CG1 3.41Å; I173-I177 PolarHBondContact O-N 2.81Å; I173-D220 WeakPolarHBondContact CD1-OD2 3.22Å
174	L	91.1	Very high	88.3	Confident	25 Å²	25	52.3 Å²	52.3	13%	0.131	27%	0.271	C	S	.	.	H	α-helix	trans	-57.8	-46.9	176.4	176.6	61.8	0	0	0	111.5	Y163 Y165 F171 I177 M178 A190	Y163-L174 HydrophobicContact CD1-CD1 3.57Å; Y163-L174 HydrophobicContact CE1-CB 3.81Å; Y163-L174 HydrophobicContact CE1-CD1 3.47Å; Y163-L174 VanDerWaalsContact CE1-CD1 3.47Å; Y163-L174 HydrophobicContact CE1-CG 4.17Å; Y165-L174 HydrophobicContact CE1-CD2 4.13Å; Y165-L174 HydrophobicContact CE2-CD2 4.2Å; F171-L174 HydrophobicContact CD1-CD2 3.97Å; F171-L174 WeakPolarHBondContact O-CB 3.45Å; F171-L174 PolarHBondContact O-N 3.4Å; L174-I177 PolarHBondContact O-N 2.96Å; L174-M178 HydrophobicContact CD1-CE 3.73Å; L174-M178 HydrophobicContact CD1-CG 4.13Å; L174-M178 VanDerWaalsContact O-CG 3.3Å; L174-M178 WeakPolarHBondContact O-CG 3.35Å; L174-M178 PolarHBondContact O-N 3.05Å; L174-A190 HydrophobicContact CD1-CB 4.05Å
175	Q	90.7	Very high	88.2	Confident	114 Å²	114	59 Å²	59	53%	0.533	31%	0.306	S	S	.	.	H	α-helix	trans	-60.5	-48.3	178.8	-178.1	178.6	-15.5	0	0	111	F171 S172 I173 I177 M178 E179	F171-Q175 WeakPolarHBondContact O-CB 3.41Å; F171-Q175 PolarHBondContact O-N 2.85Å; S172-Q175 PolarHBondContact O-N 3.22Å; I173-Q175 VanDerWaalsContact C-N 3.35Å; I173-Q175 PolarHBondContact O-N 2.9Å; Q175-I177 VanDerWaalsContact C-N 3.31Å; Q175-I177 PolarHBondContact O-N 2.88Å; Q175-M178 PolarHBondContact O-N 3.26Å; Q175-E179 WeakPolarHBondContact CG-OE1 3.04Å; Q175-E179 PolarHBondContact NE2-OE1 3.3Å; Q175-E179 WeakPolarHBondContact O-CG 3.35Å; Q175-E179 PolarHBondContact O-N 2.88Å
176	A	90.8	Very high	88.3	Confident	17 Å²	17	59.1 Å²	59.1	14%	0.14	31%	0.306	C	S	.	.	H	α-helix	trans	-61.1	-38.4	178.5	0	0	0	0	0	112.7	K146 L150 S172 I173 A180	K146-A176 HydrophobicContact CB-CB 4.33Å; L150-A176 HydrophobicContact CD1-CB 4.37Å; S172-A176 PolarHBondContact O-N 3.03Å; S172-A176 VanDerWaalsContact O-N 3.1Å; I173-A176 PolarHBondContact O-N 3.29Å; A176-A180 WeakPolarHBondContact O-CB 3.31Å; A176-A180 PolarHBondContact O-N 3Å
177	I	92.6	Very high	88.3	Confident	2 Å²	2	65 Å²	65	1%	0.01	33%	0.334	C	S	.	.	H	α-helix	trans	-67.2	-42.5	175.9	-69.3	167.3	0	0	0	111	I149 L150 F161 Y163 I173 L174 Q175 A180 A181 V188 L218	I149-I177 HydrophobicContact CG2-CD1 4.49Å; L150-I177 HydrophobicContact CD2-CG1 4.4Å; F161-I177 HydrophobicContact CE2-CG2 4.26Å; F161-I177 HydrophobicContact CZ-CG2 4.13Å; Y163-I177 HydrophobicContact CD2-CD1 3.98Å; Y163-I177 HydrophobicContact CE1-CD1 4.4Å; Y163-I177 HydrophobicContact CE2-CD1 3.7Å; Y163-I177 HydrophobicContact CG-CD1 4.43Å; I173-I177 HydrophobicContact CG2-CD1 3.74Å; I173-I177 HydrophobicContact CG2-CG1 4.4Å; I173-I177 VanDerWaalsContact O-CG1 3.31Å; I173-I177 WeakPolarHBondContact O-CG1 3.41Å; I173-I177 PolarHBondContact O-N 2.81Å; L174-I177 PolarHBondContact O-N 2.96Å; Q175-I177 VanDerWaalsContact C-N 3.31Å; Q175-I177 PolarHBondContact O-N 2.88Å; I177-A180 PolarHBondContact O-N 3.35Å; I177-A181 VanDerWaalsContact O-CB 3.23Å; I177-A181 WeakPolarHBondContact O-CB 3.47Å; I177-A181 PolarHBondContact O-N 3.16Å; I177-V188 HydrophobicContact CG2-CG1 4.28Å; I177-V188 HydrophobicContact CG2-CG2 4.28Å; I177-L218 HydrophobicContact CD1-CD2 3.57Å
178	M	92.1	Very high	88.8	Confident	77 Å²	77	64.8 Å²	64.8	38%	0.379	33%	0.333	S	S	.	.	H	α-helix	trans	-66.7	-40.8	179.7	-70.7	-65.4	-179.9	0	0	112	L174 Q175 A181 V182 V188 A190	L174-M178 HydrophobicContact CD1-CE 3.73Å; L174-M178 HydrophobicContact CD1-CG 4.13Å; L174-M178 VanDerWaalsContact O-CG 3.3Å; L174-M178 WeakPolarHBondContact O-CG 3.35Å; L174-M178 PolarHBondContact O-N 3.05Å; Q175-M178 PolarHBondContact O-N 3.26Å; M178-A181 PolarHBondContact O-N 3.48Å; M178-V182 WeakPolarHBondContact O-CG2 3.28Å; M178-V182 PolarHBondContact O-N 2.91Å; M178-V182 VanDerWaalsContact O-N 3.12Å; M178-V188 HydrophobicContact CE-CG1 4.47Å; M178-A190 HydrophobicContact CE-CB 3.62Å
179	E	92.7	Very high	89.4	Confident	103 Å²	103	62.3 Å²	62.3	48%	0.481	32%	0.324	S	S	.	.	H	α-helix	trans	-61.4	-46.9	173.6	-71.9	172.7	-169.4	0	0	111.3	Q175 A181 V182 Q183	Q175-E179 WeakPolarHBondContact CG-OE1 3.04Å; Q175-E179 PolarHBondContact NE2-OE1 3.3Å; Q175-E179 WeakPolarHBondContact O-CG 3.35Å; Q175-E179 PolarHBondContact O-N 2.88Å; E179-A181 VanDerWaalsContact C-N 3.3Å; E179-A181 PolarHBondContact O-N 2.73Å; E179-V182 PolarHBondContact O-N 3.47Å; E179-Q183 WeakPolarHBondContact O-CG 3.44Å; E179-Q183 PolarHBondContact O-N 3.37Å
180	A	91.3	Very high	90.1	Very high	9 Å²	9	62.3 Å²	62.3	7%	0.074	33%	0.331	C	S	.	.	H	α-helix	trans	-65.2	-32.6	175.9	0	0	0	0	0	112.8	L150 A176 I177 Q183 N184 W186	L150-A180 HydrophobicContact CD2-CB 3.6Å; A176-A180 WeakPolarHBondContact O-CB 3.31Å; A176-A180 PolarHBondContact O-N 3Å; I177-A180 PolarHBondContact O-N 3.35Å; A180-Q183 PolarHBondContact O-N 3.36Å; A180-N184 WeakPolarHBondContact O-CB 3.41Å; A180-N184 PolarHBondContact O-N 3.11Å; A180-N184 PolarHBondContact O-ND2 3.05Å; A180-W186 HydrophobicContact CB-CE3 4.41Å; A180-W186 HydrophobicContact CB-CH2 4.33Å; A180-W186 HydrophobicContact CB-CZ3 3.8Å
181	A	92	Very high	90.7	Very high	8 Å²	8	66 Å²	66	7%	0.066	34%	0.339	C	S	.	.	H	α-helix	trans	-67.1	-38.3	177.8	0	0	0	0	0	112	I177 M178 E179 N185 W186 V188	I177-A181 VanDerWaalsContact O-CB 3.23Å; I177-A181 WeakPolarHBondContact O-CB 3.47Å; I177-A181 PolarHBondContact O-N 3.16Å; M178-A181 PolarHBondContact O-N 3.48Å; E179-A181 VanDerWaalsContact C-N 3.3Å; E179-A181 PolarHBondContact O-N 2.73Å; A181-N185 CarbonylContact O-C 3.58Å; A181-N185 VanDerWaalsContact O-CA 3.25Å; A181-N185 WeakPolarHBondContact O-CA 3.3Å; A181-N185 PolarHBondContact O-N 3.07Å; A181-W186 HydrophobicContact CB-CB 3.92Å; A181-W186 HydrophobicContact CB-CE3 4.34Å; A181-W186 PolarHBondContact O-N 3.43Å; A181-V188 HydrophobicContact CB-CG2 3.82Å
182	V	91.4	Very high	90.9	Very high	127 Å²	127	63.5 Å²	63.5	77%	0.77	33%	0.334	S	S	*	.	H	α-helix	trans	-66.2	-43.4	174.3	174.7	0	0	0	0	110.8	M178 E179	M178-V182 WeakPolarHBondContact O-CG2 3.28Å; M178-V182 PolarHBondContact O-N 2.91Å; M178-V182 VanDerWaalsContact O-N 3.12Å; E179-V182 PolarHBondContact O-N 3.47Å
183	Q	90.6	Very high	90.8	Very high	159 Å²	159	61.8 Å²	61.8	74%	0.743	32%	0.322	S	S	*	.	H	α-helix	trans	-66.3	-41	-179.4	-69.2	177.6	0.9	0	0	112.9	E179 A180	E179-Q183 WeakPolarHBondContact O-CG 3.44Å; E179-Q183 PolarHBondContact O-N 3.37Å; A180-Q183 PolarHBondContact O-N 3.36Å
184	N	89.4	Confident	90.1	Very high	89 Å²	89	61.1 Å²	61.1	48%	0.476	32%	0.321	S	S	.	.	H	α-helix	trans	-99.9	5.7	-175.5	-60.7	-56.1	0	0	0	113.8	A180 W186	A180-N184 WeakPolarHBondContact O-CB 3.41Å; A180-N184 PolarHBondContact O-N 3.11Å; A180-N184 PolarHBondContact O-ND2 3.05Å; N184-W186 VanDerWaalsContact C-N 3.34Å; N184-W186 HydrophobicContact CB-CD2 4Å; N184-W186 VanDerWaalsContact CB-CE2 3.49Å; N184-W186 HydrophobicContact CB-CG 4.13Å; N184-W186 HydrophobicContact CB-CZ2 3.96Å; N184-W186 VanDerWaalsContact CB-NE1 3.29Å; N184-W186 PolarHBondContact O-N 3.13Å
185	N	89.8	Confident	89.4	Confident	146 Å²	146	66.6 Å²	66.6	78%	0.781	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	42.9	-177.1	-162.9	26.5	0	0	0	113.7	A181	A181-N185 CarbonylContact O-C 3.58Å; A181-N185 VanDerWaalsContact O-CA 3.25Å; A181-N185 WeakPolarHBondContact O-CA 3.3Å; A181-N185 PolarHBondContact O-N 3.07Å
186	W	92.5	Very high	88.7	Confident	39 Å²	39	62 Å²	62	15%	0.148	33%	0.329	C	S	.	.			trans	-81.5	144.1	177.9	-60.3	-20.5	0	0	0	112.3	L150 L153 W158 E159 F161 A180 A181 N184 V188	L150-W186 HydrophobicContact CD2-CZ3 4.26Å; L153-W186 HydrophobicContact CB-CH2 3.96Å; L153-W186 HydrophobicContact CB-CZ3 4.4Å; L153-W186 HydrophobicContact CD1-CH2 4.34Å; L153-W186 HydrophobicContact CD1-CZ3 3.97Å; W158-W186 PolarHBondContact O-NE1 2.75Å; E159-W186 CarbonylContact O-C 3.53Å; E159-W186 VanDerWaalsContact O-CA 3.28Å; E159-W186 WeakPolarHBondContact O-CA 2.64Å; F161-W186 HydrophobicContact CE1-CB 4.5Å; F161-W186 HydrophobicContact CE1-CD2 4.38Å; F161-W186 HydrophobicContact CE1-CE3 4.14Å; F161-W186 HydrophobicContact CZ-CE3 4.23Å; A180-W186 HydrophobicContact CB-CE3 4.41Å; A180-W186 HydrophobicContact CB-CH2 4.33Å; A180-W186 HydrophobicContact CB-CZ3 3.8Å; A181-W186 HydrophobicContact CB-CB 3.92Å; A181-W186 HydrophobicContact CB-CE3 4.34Å; A181-W186 PolarHBondContact O-N 3.43Å; N184-W186 VanDerWaalsContact C-N 3.34Å; N184-W186 HydrophobicContact CB-CD2 4Å; N184-W186 VanDerWaalsContact CB-CE2 3.49Å; N184-W186 HydrophobicContact CB-CG 4.13Å; N184-W186 HydrophobicContact CB-CZ2 3.96Å; N184-W186 VanDerWaalsContact CB-NE1 3.29Å; N184-W186 PolarHBondContact O-N 3.13Å; W186-V188 HydrophobicContact CB-CG2 4.14Å
187	Q	89.8	Confident	87.7	Confident	126 Å²	126	71 Å²	71	59%	0.589	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.8	95.7	172.8	-69	-175.2	-1.3	0	0	110.3	E159 K160 F161	E159-Q187 PolarHBondContact O-N 3.3Å; K160-Q187 WeakPolarHBondContact CA-O 3.46Å; K160-Q187 HydrophobicContact CB-CB 4.26Å; K160-Q187 HydrophobicContact CG-CB 3.93Å; F161-Q187 PolarHBondContact N-O 3.04Å
188	V	92.9	Very high	87	Confident	30 Å²	30	75.3 Å²	75.3	18%	0.182	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	123.1	-177.8	-173.6	0	0	0	0	110.6	F161 I177 M178 A181 W186	F161-V188 HydrophobicContact CD2-CG1 4.37Å; F161-V188 HydrophobicContact CE1-CG2 3.91Å; F161-V188 HydrophobicContact CE2-CG1 3.89Å; F161-V188 HydrophobicContact CE2-CG2 3.94Å; F161-V188 HydrophobicContact CZ-CG1 4.34Å; F161-V188 HydrophobicContact CZ-CG2 3.53Å; I177-V188 HydrophobicContact CG2-CG1 4.28Å; I177-V188 HydrophobicContact CG2-CG2 4.28Å; M178-V188 HydrophobicContact CE-CG1 4.47Å; A181-V188 HydrophobicContact CB-CG2 3.82Å; W186-V188 HydrophobicContact CB-CG2 4.14Å
189	T	91.8	Very high	86.4	Confident	36 Å²	36	74.3 Å²	74.3	22%	0.221	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	100.2	170	-57.9	0	0	0	0	109.3	F161 V162 Y163 M209	F161-T189 PolarHBondContact O-N 2.95Å; V162-T189 WeakPolarHBondContact CA-O 3.14Å; Y163-T189 PolarHBondContact N-O 2.88Å; T189-M209 HydrophobicContact CG2-SD 3.94Å
190	A	91.7	Very high	85.8	Confident	33 Å²	33	74.5 Å²	74.5	27%	0.273	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	130	178.6	0	0	0	0	0	111.5	Y163 Y165 L174 M178	Y163-A190 HydrophobicContact CD1-CB 4.26Å; Y163-A190 CarbonylContact O-C 3.56Å; Y163-A190 WeakPolarHBondContact O-CA 3.49Å; Y165-A190 HydrophobicContact CD1-CB 4.43Å; Y165-A190 HydrophobicContact CE1-CB 4.07Å; L174-A190 HydrophobicContact CD1-CB 4.05Å; M178-A190 HydrophobicContact CE-CB 3.62Å
191	R	89.8	Confident	85.4	Confident	93 Å²	93	77.8 Å²	77.8	35%	0.351	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	127.3	174.5	-68.5	-64.1	-163.1	178	5.4	109.9	Y163 L164 Y165 E208	Y163-R191 PolarHBondContact O-N 3.27Å; L164-R191 WeakPolarHBondContact CA-O 3.25Å; L164-R191 HydrophobicContact CD2-CB 3.9Å; Y165-R191 WeakPolarHBondContact CD1-O 3.48Å; Y165-R191 PolarHBondContact N-O 2.91Å; Y165-R191 VanDerWaalsContact N-O 3.11Å; R191-E208 IonicContact NH2-OE1 3.53Å; R191-E208 PolarHBondContact NH2-OE1 3.28Å; R191-E208 IonicContact NH2-OE2 3.68Å
192	S	89.5	Confident	85	Confident	42 Å²	42	77.9 Å²	77.9	29%	0.294	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	133.1	172.2	178.5	0	0	0	0	109.6	Y165 T167	Y165-S192 WeakPolarHBondContact O-CA 3.45Å; T167-S192 WeakPolarHBondContact CG2-OG 3.34Å
193	V	85.3	Confident	84.7	Confident	0 Å²	0	75.7 Å²	75.7	0%	0	38%	0.377	C	S	.	.			trans	-120.2	-0.2	175.8	-66.3	0	0	0	0	113.2	L164 Y165 I196 F202 C221	L164-V193 HydrophobicContact CB-CG1 4.34Å; L164-V193 HydrophobicContact CB-CG2 4.5Å; L164-V193 HydrophobicContact CD2-CG1 4.25Å; Y165-V193 VanDerWaalsContact O-CG2 3.32Å; Y165-V193 WeakPolarHBondContact O-CG2 3.5Å; Y165-V193 PolarHBondContact O-N 3.31Å; V193-I196 HydrophobicContact CB-CD1 4.43Å; V193-I196 HydrophobicContact CG1-CD1 4.31Å; V193-I196 PolarHBondContact O-N 3.33Å; V193-F202 HydrophobicContact CB-CE1 3.79Å; V193-F202 HydrophobicContact CB-CZ 4.41Å; V193-F202 HydrophobicContact CG1-CD1 4.41Å; V193-F202 HydrophobicContact CG1-CE1 3.95Å; V193-C221 WeakPolarHBondContact CG2-SG 3.44Å
194	G	74.7	Confident	84.5	Confident	9 Å²	9	75.2 Å²	75.2	9%	0.093	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-41	-177.4	0	0	0	0	0	113.9	D166 I196	D166-G194 WeakPolarHBondContact OD1-CA 3.07Å; G194-I196 VanDerWaalsContact C-N 3.26Å; G194-I196 PolarHBondContact O-N 2.91Å
195	N	76.1	Confident	84.4	Confident	139 Å²	139	71.8 Å²	71.8	74%	0.743	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-3.9	-177.7	-70.6	-11	0	0	0	114.2	K197	N195-K197 PolarHBondContact O-N 2.78Å
196	I	75.7	Confident	84.2	Confident	17 Å²	17	65.1 Å²	65.1	9%	0.087	32%	0.315	C	S	.	.			trans	-88.2	107.8	-171.3	-58.4	-179.6	0	0	0	109.4	V193 G194 D198 E201 F202 I205	V193-I196 HydrophobicContact CB-CD1 4.43Å; V193-I196 HydrophobicContact CG1-CD1 4.31Å; V193-I196 PolarHBondContact O-N 3.33Å; G194-I196 VanDerWaalsContact C-N 3.26Å; G194-I196 PolarHBondContact O-N 2.91Å; I196-D198 VanDerWaalsContact CG2-O 3.28Å; I196-D198 WeakPolarHBondContact CG2-O 3.48Å; I196-E201 HydrophobicContact CD1-CG 3.97Å; I196-E201 HydrophobicContact CG1-CG 4.44Å; I196-E201 HydrophobicContact CG2-CB 3.7Å; I196-E201 HydrophobicContact CG2-CG 4.17Å; I196-F202 HydrophobicContact CB-CE2 4.15Å; I196-F202 HydrophobicContact CB-CZ 4.08Å; I196-F202 HydrophobicContact CG2-CD2 3.87Å; I196-F202 HydrophobicContact CG2-CE2 3.6Å; I196-F202 HydrophobicContact CG2-CG 4.5Å; I196-F202 HydrophobicContact CG2-CZ 4.02Å; I196-I205 HydrophobicContact CD1-CD1 3.51Å
197	K	69.9	Low	84	Confident	206 Å²	206	67.1 Å²	67.1	90%	0.896	33%	0.326	S	S	*	.			trans	-94.8	-21.8	172.6	-62.7	-172.9	-179.5	-176.4	0	112.9	N195	N195-K197 PolarHBondContact O-N 2.78Å
198	D	78.7	Confident	84	Confident	94 Å²	94	63 Å²	63	50%	0.503	31%	0.306	S	S	.	.			trans	-88.9	126.3	-179.5	-169.7	-2.6	0	0	0	111.4	I196 Q200 E201	I196-D198 VanDerWaalsContact CG2-O 3.28Å; I196-D198 WeakPolarHBondContact CG2-O 3.48Å; D198-Q200 PolarHBondContact O-N 3.42Å; D198-Q200 PolarHBondContact OD1-N 2.62Å; D198-E201 PolarHBondContact O-N 3.34Å
199	V	79	Confident	83.7	Confident	55 Å²	55	61.5 Å²	61.5	33%	0.333	30%	0.298	S	S	.	.	H	α-helix	trans	-62.2	-29.4	177.9	-178.1	0	0	0	0	111.8	E201 F202 R203 Q232	V199-E201 VanDerWaalsContact C-N 3.28Å; V199-E201 PolarHBondContact O-N 3.37Å; V199-F202 PolarHBondContact O-N 3.05Å; V199-R203 PolarHBondContact O-N 2.88Å; V199-Q232 HydrophobicContact CG1-CG 3.81Å
200	Q	80.3	Confident	83.4	Confident	107 Å²	107	61.1 Å²	61.1	50%	0.5	29%	0.294	S	S	.	.	H	α-helix	trans	-66.9	-29.2	179.6	-63.1	-58.1	-32	0	0	113	D198 R203 R204	D198-Q200 PolarHBondContact O-N 3.42Å; D198-Q200 PolarHBondContact OD1-N 2.62Å; Q200-R203 VanDerWaalsContact O-CB 3.28Å; Q200-R203 WeakPolarHBondContact O-CB 3.33Å; Q200-R203 PolarHBondContact O-N 3.36Å; Q200-R204 PolarHBondContact O-N 3.23Å
201	E	83.6	Confident	83.1	Confident	79 Å²	79	67.6 Å²	67.6	37%	0.369	31%	0.312	S	S	.	.	H	α-helix	trans	-72.7	-37.2	-179.4	-168.4	173.2	-168.6	0	0	111.5	I196 D198 V199 R203 R204 I205	I196-E201 HydrophobicContact CD1-CG 3.97Å; I196-E201 HydrophobicContact CG1-CG 4.44Å; I196-E201 HydrophobicContact CG2-CB 3.7Å; I196-E201 HydrophobicContact CG2-CG 4.17Å; D198-E201 PolarHBondContact O-N 3.34Å; V199-E201 VanDerWaalsContact C-N 3.28Å; V199-E201 PolarHBondContact O-N 3.37Å; E201-R203 PolarHBondContact O-N 3.28Å; E201-R204 PolarHBondContact O-N 3.24Å; E201-I205 HydrophobicContact CG-CD1 4.44Å; E201-I205 WeakPolarHBondContact O-CG1 3.32Å; E201-I205 PolarHBondContact O-N 2.62Å
202	F	82.3	Confident	82.8	Confident	10 Å²	10	68.6 Å²	68.6	4%	0.044	32%	0.315	C	S	.	.	H	α-helix	trans	-56.3	-42.6	169.3	-71.9	-73.6	0	0	0	111.4	V193 I196 V199 I205 I206 R225 I229 Q232	V193-F202 HydrophobicContact CB-CE1 3.79Å; V193-F202 HydrophobicContact CB-CZ 4.41Å; V193-F202 HydrophobicContact CG1-CD1 4.41Å; V193-F202 HydrophobicContact CG1-CE1 3.95Å; I196-F202 HydrophobicContact CB-CE2 4.15Å; I196-F202 HydrophobicContact CB-CZ 4.08Å; I196-F202 HydrophobicContact CG2-CD2 3.87Å; I196-F202 HydrophobicContact CG2-CE2 3.6Å; I196-F202 HydrophobicContact CG2-CG 4.5Å; I196-F202 HydrophobicContact CG2-CZ 4.02Å; V199-F202 PolarHBondContact O-N 3.05Å; F202-I205 PolarHBondContact O-N 2.99Å; F202-I206 VanDerWaalsContact O-CG1 3.3Å; F202-I206 WeakPolarHBondContact O-CG1 3.48Å; F202-I206 PolarHBondContact O-N 3.03Å; F202-R225 HydrophobicContact CZ-CG 4.29Å; F202-I229 HydrophobicContact CD1-CD1 4.36Å; F202-I229 HydrophobicContact CD1-CG1 3.73Å; F202-I229 HydrophobicContact CE1-CD1 3.91Å; F202-I229 HydrophobicContact CE1-CG1 3.61Å; F202-I229 HydrophobicContact CZ-CG1 4.42Å; F202-Q232 HydrophobicContact CB-CG 4.33Å
203	R	84.8	Confident	82.4	Confident	80 Å²	80	69.1 Å²	69.1	30%	0.302	31%	0.313	S	S	.	.	H	α-helix	trans	-60.8	-47.5	177.3	-149	-177.7	-160	164.1	4.5	111.6	V199 Q200 E201 I205 I206 E207 I235 L236	V199-R203 PolarHBondContact O-N 2.88Å; Q200-R203 VanDerWaalsContact O-CB 3.28Å; Q200-R203 WeakPolarHBondContact O-CB 3.33Å; Q200-R203 PolarHBondContact O-N 3.36Å; E201-R203 PolarHBondContact O-N 3.28Å; R203-I205 VanDerWaalsContact C-N 3.34Å; R203-I205 PolarHBondContact O-N 3.36Å; R203-I206 PolarHBondContact O-N 3.18Å; R203-E207 WeakPolarHBondContact O-CG 3.27Å; R203-E207 PolarHBondContact O-N 2.77Å; R203-I235 VanDerWaalsContact NH2-CG2 3.28Å; R203-L236 HydrophobicContact CG-CD1 3.73Å; R203-L236 HydrophobicContact CG-CD2 3.69Å; R203-L236 HydrophobicContact CG-CG 3.93Å
204	R	87	Confident	82.3	Confident	149 Å²	149	69.6 Å²	69.6	56%	0.562	32%	0.315	S	S	*	.	H	α-helix	trans	-61.1	-41.5	178	-164.2	-177.3	81.9	173.6	-0.4	112.2	Q200 E201 E207 E208	Q200-R204 PolarHBondContact O-N 3.23Å; E201-R204 PolarHBondContact O-N 3.24Å; R204-E207 PolarHBondContact O-N 2.82Å; R204-E208 WeakPolarHBondContact O-CB 3.33Å; R204-E208 PolarHBondContact O-N 3.33Å
205	I	86.9	Confident	82.9	Confident	17 Å²	17	70.2 Å²	70.2	9%	0.087	32%	0.315	C	S	.	.	H	α-helix	trans	-62.5	-50.2	177.5	-68.5	166.6	0	0	0	109.9	L164 I196 E201 F202 R203 E207 E208 M209	L164-I205 HydrophobicContact CD2-CG2 4.3Å; I196-I205 HydrophobicContact CD1-CD1 3.51Å; E201-I205 HydrophobicContact CG-CD1 4.44Å; E201-I205 WeakPolarHBondContact O-CG1 3.32Å; E201-I205 PolarHBondContact O-N 2.62Å; F202-I205 PolarHBondContact O-N 2.99Å; R203-I205 VanDerWaalsContact C-N 3.34Å; R203-I205 PolarHBondContact O-N 3.36Å; I205-E207 VanDerWaalsContact C-N 3.32Å; I205-E207 PolarHBondContact O-N 3.01Å; I205-E208 PolarHBondContact O-N 2.8Å; I205-M209 HydrophobicContact CG2-CG 4.38Å; I205-M209 VanDerWaalsContact O-CG 3.28Å; I205-M209 WeakPolarHBondContact O-CG 3.37Å; I205-M209 PolarHBondContact O-N 3.38Å
206	I	87.1	Confident	83.6	Confident	6 Å²	6	68.3 Å²	68.3	3%	0.031	30%	0.298	C	S	.	.	H	α-helix	trans	-60.9	-42.2	-179.8	-64.9	164.3	0	0	0	110.6	F202 R203 M209 D210 Q232 V233 L236 K238	F202-I206 VanDerWaalsContact O-CG1 3.3Å; F202-I206 WeakPolarHBondContact O-CG1 3.48Å; F202-I206 PolarHBondContact O-N 3.03Å; R203-I206 PolarHBondContact O-N 3.18Å; I206-M209 PolarHBondContact O-N 3.29Å; I206-D210 VanDerWaalsContact O-CB 3.3Å; I206-D210 WeakPolarHBondContact O-CB 3.31Å; I206-D210 PolarHBondContact O-N 3.25Å; I206-Q232 HydrophobicContact CD1-CB 4.17Å; I206-V233 HydrophobicContact CD1-CG2 3.8Å; I206-L236 HydrophobicContact CB-CD1 3.78Å; I206-L236 HydrophobicContact CD1-CD1 4.19Å; I206-L236 HydrophobicContact CG2-CD1 3.59Å; I206-K238 HydrophobicContact CG2-CB 4.43Å; I206-K238 HydrophobicContact CG2-CG 3.91Å
207	E	88	Confident	84.5	Confident	81 Å²	81	67.8 Å²	67.8	38%	0.379	30%	0.295	S	S	.	.	H	α-helix	trans	-67.8	-35.7	176.6	-72.5	176.1	-179.8	0	0	113.8	R203 R204 I205 R211 L236	R203-E207 WeakPolarHBondContact O-CG 3.27Å; R203-E207 PolarHBondContact O-N 2.77Å; R204-E207 PolarHBondContact O-N 2.82Å; I205-E207 VanDerWaalsContact C-N 3.32Å; I205-E207 PolarHBondContact O-N 3.01Å; E207-R211 WeakPolarHBondContact O-CG 3.36Å; E207-R211 PolarHBondContact O-N 3.34Å; E207-R211 PolarHBondContact O-NE 2.77Å; E207-L236 HydrophobicContact CG-CD1 4.45Å; E207-L236 HydrophobicContact CG-CD2 4.39Å
208	E	88.6	Confident	85.7	Confident	39 Å²	39	58 Å²	58	18%	0.182	25%	0.252	C	S	.	.	H	α-helix	trans	-64.5	-44.4	173.2	-171.8	-165.9	148.2	0	0	110.7	R191 R204 I205 R211 R212	R191-E208 IonicContact NH2-OE1 3.53Å; R191-E208 PolarHBondContact NH2-OE1 3.28Å; R191-E208 IonicContact NH2-OE2 3.68Å; R204-E208 WeakPolarHBondContact O-CB 3.33Å; R204-E208 PolarHBondContact O-N 3.33Å; I205-E208 PolarHBondContact O-N 2.8Å; E208-R211 PolarHBondContact O-N 3.42Å; E208-R212 PolarHBondContact O-N 2.82Å; E208-R212 IonicContact OE1-CZ 3.56Å; E208-R212 IonicContact OE1-NH1 2.79Å; E208-R212 IonicContact OE1-NH2 3.93Å; E208-R212 PolarHBondContact OE1-NH2 3.26Å
209	M	88.1	Confident	86.4	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-68.9	-37.2	179.2	-64.2	-53.3	98.4	0	0	111.4	V162 T189 I205 I206 R212 Q213 E214 Y217	V162-M209 HydrophobicContact CG1-CG 4.22Å; V162-M209 HydrophobicContact CG1-SD 4.26Å; V162-M209 HydrophobicContact CG2-CB 4.38Å; V162-M209 HydrophobicContact CG2-CG 4.08Å; V162-M209 HydrophobicContact CG2-SD 3.9Å; T189-M209 HydrophobicContact CG2-SD 3.94Å; I205-M209 HydrophobicContact CG2-CG 4.38Å; I205-M209 VanDerWaalsContact O-CG 3.28Å; I205-M209 WeakPolarHBondContact O-CG 3.37Å; I205-M209 PolarHBondContact O-N 3.38Å; I206-M209 PolarHBondContact O-N 3.29Å; M209-R212 CarbonylContact O-C 3.56Å; M209-R212 WeakPolarHBondContact O-CA 3.33Å; M209-R212 WeakPolarHBondContact O-CB 3.45Å; M209-R212 PolarHBondContact O-N 2.97Å; M209-R212 VanDerWaalsContact O-N 3.08Å; M209-Q213 PolarHBondContact O-N 3.47Å; M209-E214 HydrophobicContact CB-CB 4.2Å; M209-E214 WeakPolarHBondContact O-CB 3.34Å; M209-E214 PolarHBondContact O-N 3.5Å; M209-Y217 HydrophobicContact CB-CE1 4.15Å; M209-Y217 VanDerWaalsContact CB-OH 3.27Å; M209-Y217 WeakPolarHBondContact CB-OH 3.46Å; M209-Y217 HydrophobicContact CG-CE1 4.4Å
210	D	84.7	Confident	87	Confident	28 Å²	28	51.1 Å²	51.1	15%	0.15	21%	0.214	C	C	.	.	H	α-helix	trans	-66.6	-36.6	175.7	-167.1	55.6	0	0	0	112.8	I206 R212 Q213 K238 Y243	I206-D210 VanDerWaalsContact O-CB 3.3Å; I206-D210 WeakPolarHBondContact O-CB 3.31Å; I206-D210 PolarHBondContact O-N 3.25Å; D210-R212 PolarHBondContact O-N 2.87Å; D210-Q213 WeakPolarHBondContact O-CA 3.3Å; D210-Q213 PolarHBondContact O-N 3.31Å; D210-Q213 PolarHBondContact O-NE2 3.39Å; D210-K238 IonicContact OD1-NZ 3.29Å; D210-K238 WeakPolarHBondContact OD2-CE 3.49Å; D210-K238 IonicContact OD2-NZ 3.87Å; D210-K238 PolarHBondContact OD2-NZ 3.49Å; D210-Y243 PolarHBondContact OD1-OH 2.99Å
211	R	84.8	Confident	87.4	Confident	169 Å²	169	46 Å²	46	64%	0.638	19%	0.19	S	C	*	.	H	α-helix	trans	-58.6	-30.5	170.8	-82.1	-177.7	-85.4	-174.9	-7.9	112.5	E207 E208 Q213	E207-R211 WeakPolarHBondContact O-CG 3.36Å; E207-R211 PolarHBondContact O-N 3.34Å; E207-R211 PolarHBondContact O-NE 2.77Å; E208-R211 PolarHBondContact O-N 3.42Å; R211-Q213 VanDerWaalsContact C-N 3.27Å
212	R	83.4	Confident	87.5	Confident	114 Å²	114	46.4 Å²	46.4	43%	0.43	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	3.4	173.8	-62.6	-178.3	-175.4	166.8	11	113.7	E208 M209 D210 E214	E208-R212 PolarHBondContact O-N 2.82Å; E208-R212 IonicContact OE1-CZ 3.56Å; E208-R212 IonicContact OE1-NH1 2.79Å; E208-R212 IonicContact OE1-NH2 3.93Å; E208-R212 PolarHBondContact OE1-NH2 3.26Å; M209-R212 CarbonylContact O-C 3.56Å; M209-R212 WeakPolarHBondContact O-CA 3.33Å; M209-R212 WeakPolarHBondContact O-CB 3.45Å; M209-R212 PolarHBondContact O-N 2.97Å; M209-R212 VanDerWaalsContact O-N 3.08Å; D210-R212 PolarHBondContact O-N 2.87Å; R212-E214 HydrophobicContact CB-CG 4.09Å; R212-E214 PolarHBondContact O-N 2.95Å
213	Q	80.6	Confident	87.7	Confident	53 Å²	53	47.4 Å²	47.4	25%	0.248	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	33.4	-174.9	-61.8	-66.6	-68.3	0	0	113.2	M209 D210 R211 I489 Y499	M209-Q213 PolarHBondContact O-N 3.47Å; D210-Q213 WeakPolarHBondContact O-CA 3.3Å; D210-Q213 PolarHBondContact O-N 3.31Å; D210-Q213 PolarHBondContact O-NE2 3.39Å; R211-Q213 VanDerWaalsContact C-N 3.27Å; Q213-I489 HydrophobicContact CG-CG2 4.25Å; Q213-Y499 HydrophobicContact CB-CD1 4.16Å; Q213-Y499 HydrophobicContact CB-CE1 3.81Å; Q213-Y499 HydrophobicContact CB-CE2 4.38Å; Q213-Y499 HydrophobicContact CG-CD2 4.47Å; Q213-Y499 HydrophobicContact CG-CE1 4.33Å; Q213-Y499 HydrophobicContact CG-CE2 4.02Å
214	E	85.1	Confident	87.7	Confident	9 Å²	9	50 Å²	50	4%	0.042	21%	0.214	C	C	.	.			trans	-79.2	118.9	172.5	-62.3	-65.6	165.9	0	0	110.5	K160 V162 M209 R212 Y217	K160-E214 WeakPolarHBondContact CE-OE1 3.41Å; K160-E214 IonicContact NZ-OE1 3.25Å; K160-E214 PolarHBondContact NZ-OE1 3.29Å; K160-E214 IonicContact NZ-OE2 3.43Å; V162-E214 HydrophobicContact CG2-CB 3.65Å; V162-E214 HydrophobicContact CG2-CG 3.77Å; M209-E214 HydrophobicContact CB-CB 4.2Å; M209-E214 WeakPolarHBondContact O-CB 3.34Å; M209-E214 PolarHBondContact O-N 3.5Å; R212-E214 HydrophobicContact CB-CG 4.09Å; R212-E214 PolarHBondContact O-N 2.95Å; E214-Y217 WeakPolarHBondContact O-CE2 3.42Å; E214-Y217 PolarHBondContact O-OH 2.98Å
215	K	85.8	Confident	87.7	Confident	23 Å²	23	45.1 Å²	45.1	10%	0.1	20%	0.196	C	C	.	.			trans	-116.2	-5.1	-176.6	-61	-167.9	175.1	-167.7	0	114.3	G242 Y243 H244 Y499	K215-G242 WeakPolarHBondContact CB-O 3.49Å; K215-Y243 HydrophobicContact CB-CD1 4.05Å; K215-Y243 HydrophobicContact CB-CE1 4.31Å; K215-Y243 HydrophobicContact CG-CD1 4.26Å; K215-Y243 HydrophobicContact CG-CE1 4.05Å; K215-Y243 WeakPolarHBondContact O-CA 3.5Å; K215-H244 PolarHBondContact O-N 3.42Å; K215-Y499 PolarHBondContact NZ-O 2.96Å
216	R	92.1	Very high	87.8	Confident	99 Å²	99	44.3 Å²	44.3	37%	0.374	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	120.1	-176.4	-63.9	175.3	-173.7	176.5	-0.2	109.1	W158 K160 F161 V162 H244	W158-R216 HydrophobicContact CD2-CB 4.31Å; W158-R216 HydrophobicContact CD2-CG 4.45Å; W158-R216 HydrophobicContact CE3-CB 4.11Å; W158-R216 HydrophobicContact CH2-CB 4.09Å; W158-R216 HydrophobicContact CZ2-CB 4.29Å; W158-R216 HydrophobicContact CZ2-CG 4.36Å; W158-R216 HydrophobicContact CZ3-CB 3.99Å; K160-R216 WeakPolarHBondContact O-CD 3.44Å; F161-R216 HydrophobicContact CB-CB 3.83Å; V162-R216 PolarHBondContact N-O 3.24Å; R216-H244 WeakPolarHBondContact CA-O 3.16Å
217	Y	93.6	Very high	87.9	Confident	5 Å²	5	45.9 Å²	45.9	2%	0.02	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	127.4	-174.8	-66.3	-96.1	0	0	0	109.7	V162 L164 M209 E214 Y243 H244 Y245 M246	V162-Y217 HydrophobicContact CB-CD1 3.81Å; V162-Y217 HydrophobicContact CB-CE1 3.99Å; V162-Y217 HydrophobicContact CG1-CD1 4.01Å; V162-Y217 HydrophobicContact CG1-CE1 4.11Å; V162-Y217 HydrophobicContact CG2-CD1 4.4Å; V162-Y217 HydrophobicContact CG2-CE1 4.12Å; V162-Y217 CarbonylContact O-C 3.56Å; V162-Y217 WeakPolarHBondContact O-CA 3.47Å; L164-Y217 HydrophobicContact CD1-CD1 4.47Å; M209-Y217 HydrophobicContact CB-CE1 4.15Å; M209-Y217 VanDerWaalsContact CB-OH 3.27Å; M209-Y217 WeakPolarHBondContact CB-OH 3.46Å; M209-Y217 HydrophobicContact CG-CE1 4.4Å; E214-Y217 WeakPolarHBondContact O-CE2 3.42Å; E214-Y217 PolarHBondContact O-OH 2.98Å; Y217-Y243 HydrophobicContact CE2-CD1 4Å; Y217-Y243 HydrophobicContact CE2-CE1 4.28Å; Y217-H244 PolarHBondContact N-O 2.85Å; Y217-Y245 HydrophobicContact CD2-CD1 4.1Å; Y217-Y245 AromaticContact CD2-CE1 3.55Å; Y217-Y245 HydrophobicContact CD2-CE1 3.55Å; Y217-Y245 HydrophobicContact CE2-CE1 4.3Å; Y217-Y245 HydrophobicContact CG-CD1 4.04Å; Y217-Y245 AromaticContact CG-CE1 3.74Å; Y217-Y245 HydrophobicContact CG-CE1 3.74Å; Y217-Y245 CarbonylContact O-C 3.51Å; Y217-Y245 WeakPolarHBondContact O-CA 3.49Å; Y217-M246 PolarHBondContact O-N 2.86Å
218	L	94.9	Very high	87.9	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	116.9	167.4	176.6	62.9	0	0	0	107.7	I149 F161 V162 Y163 L164 I177 M246 A248	I149-L218 HydrophobicContact CG2-CD1 4.31Å; I149-L218 HydrophobicContact CG2-CD2 3.88Å; F161-L218 HydrophobicContact CD2-CB 4.4Å; F161-L218 HydrophobicContact CE2-CD2 4.35Å; V162-L218 PolarHBondContact O-N 3.37Å; Y163-L218 WeakPolarHBondContact CA-O 3.18Å; Y163-L218 HydrophobicContact CD2-CB 4.01Å; Y163-L218 HydrophobicContact CD2-CD2 3.53Å; Y163-L218 HydrophobicContact CD2-CG 3.63Å; Y163-L218 HydrophobicContact CE2-CD2 3.85Å; Y163-L218 HydrophobicContact CE2-CG 3.99Å; L164-L218 PolarHBondContact N-O 3.11Å; I177-L218 HydrophobicContact CD1-CD2 3.57Å; L218-M246 WeakPolarHBondContact CA-O 3.31Å; L218-M246 HydrophobicContact CD1-CB 3.8Å; L218-M246 HydrophobicContact CD1-CG 3.66Å; L218-M246 HydrophobicContact CD1-SD 3.69Å; L218-A248 HydrophobicContact CD1-CB 4.23Å
219	I	93.2	Very high	87.9	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	113.3	-174.8	-53	178.7	0	0	0	109.1	L164 C221 I226 I229 Y245 M246 L247 A248	L164-I219 HydrophobicContact CD1-CG1 4.36Å; I219-C221 HydrophobicContact CG2-CB 4.27Å; I219-I226 HydrophobicContact CG2-CG1 4.03Å; I219-I229 HydrophobicContact CD1-CG2 3.99Å; I219-I229 HydrophobicContact CG2-CD1 4.04Å; I219-Y245 HydrophobicContact CD1-CD1 4.08Å; I219-M246 PolarHBondContact N-O 3.36Å; I219-L247 HydrophobicContact CB-CD2 4.12Å; I219-L247 HydrophobicContact CD1-CD2 4.03Å; I219-L247 HydrophobicContact CG1-CD2 4.41Å; I219-A248 PolarHBondContact O-N 3.19Å
220	D	92.3	Very high	87.9	Confident	6 Å²	6	42.9 Å²	42.9	3%	0.032	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	84.6	178.3	-173.5	11.4	0	0	0	110.3	Y163 L164 Y165 D166 R169 I173 A248	Y163-D220 HydrophobicContact CE2-CB 3.69Å; Y163-D220 PolarHBondContact OH-OD2 2.89Å; L164-D220 PolarHBondContact O-N 3.07Å; Y165-D220 WeakPolarHBondContact CA-O 3.45Å; D166-D220 PolarHBondContact N-O 3.04Å; R169-D220 IonicContact CZ-OD1 3.05Å; R169-D220 VanDerWaalsContact CZ-OD1 3.29Å; R169-D220 IonicContact NE-OD1 3.24Å; R169-D220 IonicContact NH1-OD1 2.8Å; R169-D220 PolarHBondContact NH1-OD1 3.38Å; R169-D220 IonicContact NH2-OD1 3.86Å; R169-D220 PolarHBondContact NH2-OD1 3.25Å; I173-D220 WeakPolarHBondContact CD1-OD2 3.22Å; D220-A248 HydrophobicContact CB-CB 3.9Å
221	C	89.2	Confident	88.1	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	20%	0.2	C	C	.	.	S	Bend	trans	-143.1	167.1	-176.5	-69.8	0	0	0	0	110.2	R169 V193 I219 R225 I226	R169-C221 PolarHBondContact NH1-O 2.84Å; V193-C221 WeakPolarHBondContact CG2-SG 3.44Å; I219-C221 HydrophobicContact CG2-CB 4.27Å; C221-R225 HydrophobicContact CB-CB 4.15Å; C221-R225 HydrophobicContact CB-CG 4.39Å; C221-I226 HydrophobicContact CB-CG1 3.85Å; C221-I226 VanDerWaalsContact O-CD1 3.32Å; C221-I226 WeakPolarHBondContact O-CD1 3.33Å
222	E	85.2	Confident	88.2	Confident	87 Å²	87	38.1 Å²	38.1	41%	0.407	17%	0.173	S	C	.	.			trans	-68.3	160.8	168	-62.8	-160.5	149.7	0	0	112.2	E224 R225 I226	E222-E224 VanDerWaalsContact C-N 3.28Å; E222-E224 PolarHBondContact O-N 3.49Å; E222-R225 PolarHBondContact O-N 3.19Å; E222-R225 VanDerWaalsContact O-N 3.17Å; E222-I226 WeakPolarHBondContact O-CG1 3.45Å; E222-I226 PolarHBondContact O-N 2.79Å
223	V	86.4	Confident	88.5	Confident	30 Å²	30	32.8 Å²	32.8	18%	0.182	15%	0.153	C	C	.	.	H	α-helix	trans	-55.1	-43.2	-174.4	178.7	0	0	0	0	111.7	R225 I226 N227 N249 D254 I255	V223-R225 PolarHBondContact O-N 3.47Å; V223-I226 PolarHBondContact O-N 2.89Å; V223-N227 PolarHBondContact O-N 3.32Å; V223-N227 PolarHBondContact O-ND2 3.03Å; V223-N249 WeakPolarHBondContact CG2-ND2 3.1Å; V223-D254 HydrophobicContact CG1-CB 4.22Å; V223-D254 HydrophobicContact CG2-CB 4.37Å; V223-I255 HydrophobicContact CG1-CG1 4.15Å
224	E	84.4	Confident	88.8	Confident	134 Å²	134	32.1 Å²	32.1	63%	0.626	15%	0.153	S	C	*	.	H	α-helix	trans	-59.4	-47.5	-179.8	-64.3	-178.9	-174.3	0	0	111.8	E222 N227 T228	E222-E224 VanDerWaalsContact C-N 3.28Å; E222-E224 PolarHBondContact O-N 3.49Å; E224-N227 WeakPolarHBondContact O-CB 3.29Å; E224-N227 PolarHBondContact O-N 3.22Å; E224-T228 PolarHBondContact O-N 3.29Å; E224-T228 VanDerWaalsContact O-N 3.15Å; E224-T228 PolarHBondContact O-OG1 3.12Å
225	R	86.8	Confident	88.9	Confident	48 Å²	48	36.5 Å²	36.5	18%	0.181	18%	0.176	C	C	.	.	H	α-helix	trans	-72.6	-34.5	180	-167.3	174.7	-62.1	137.9	3.2	112.3	D166 E168 F202 C221 E222 V223 N227 T228 I229	D166-R225 IonicContact OD1-CZ 2.62Å; D166-R225 IonicContact OD1-NH1 3.61Å; D166-R225 PolarHBondContact OD1-NH1 3.35Å; D166-R225 IonicContact OD2-CZ 3.63Å; D166-R225 IonicContact OD2-NH1 3.84Å; D166-R225 PolarHBondContact OD2-NH1 3.35Å; E168-R225 IonicContact OE2-CZ 2.79Å; E168-R225 IonicContact OE2-NH1 2.64Å; E168-R225 IonicContact OE2-NH2 3.63Å; E168-R225 PolarHBondContact OE2-NH2 3.41Å; F202-R225 HydrophobicContact CZ-CG 4.29Å; C221-R225 HydrophobicContact CB-CB 4.15Å; C221-R225 HydrophobicContact CB-CG 4.39Å; E222-R225 PolarHBondContact O-N 3.19Å; E222-R225 VanDerWaalsContact O-N 3.17Å; V223-R225 PolarHBondContact O-N 3.47Å; R225-N227 VanDerWaalsContact C-N 3.3Å; R225-N227 PolarHBondContact O-N 3.37Å; R225-T228 PolarHBondContact O-N 3.45Å; R225-I229 HydrophobicContact CG-CD1 4.28Å; R225-I229 WeakPolarHBondContact O-CG1 3.39Å; R225-I229 PolarHBondContact O-N 3.37Å
226	I	89.2	Confident	88.9	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-58.2	-46	171.5	-68.1	171.4	0	0	0	109.9	I219 C221 E222 V223 T228 I229 L230 L247 N249 I255	I219-I226 HydrophobicContact CG2-CG1 4.03Å; C221-I226 HydrophobicContact CB-CG1 3.85Å; C221-I226 VanDerWaalsContact O-CD1 3.32Å; C221-I226 WeakPolarHBondContact O-CD1 3.33Å; E222-I226 WeakPolarHBondContact O-CG1 3.45Å; E222-I226 PolarHBondContact O-N 2.79Å; V223-I226 PolarHBondContact O-N 2.89Å; I226-T228 VanDerWaalsContact C-N 3.34Å; I226-T228 PolarHBondContact O-N 3.47Å; I226-I229 PolarHBondContact O-N 2.89Å; I226-L230 HydrophobicContact CG2-CD1 3.73Å; I226-L230 HydrophobicContact CG2-CG 4.08Å; I226-L230 WeakPolarHBondContact O-CB 3.31Å; I226-L230 VanDerWaalsContact O-CG 3.31Å; I226-L230 WeakPolarHBondContact O-CG 3.4Å; I226-L230 PolarHBondContact O-N 3.44Å; I226-L247 HydrophobicContact CG2-CD1 4.3Å; I226-L247 HydrophobicContact CG2-CD2 3.99Å; I226-N249 HydrophobicContact CD1-CB 4.12Å; I226-I255 HydrophobicContact CD1-CD1 4.26Å; I226-I255 HydrophobicContact CG2-CD1 4.2Å; I226-I255 HydrophobicContact CG2-CG2 4.03Å
227	N	88.8	Confident	88.6	Confident	39 Å²	39	33.6 Å²	33.6	21%	0.209	18%	0.176	C	C	.	.	H	α-helix	trans	-59.5	-44.7	177.7	-72.2	-30.4	0	0	0	111.2	V223 E224 R225 I229 L230 E231 I255 L256	V223-N227 PolarHBondContact O-N 3.32Å; V223-N227 PolarHBondContact O-ND2 3.03Å; E224-N227 WeakPolarHBondContact O-CB 3.29Å; E224-N227 PolarHBondContact O-N 3.22Å; R225-N227 VanDerWaalsContact C-N 3.3Å; R225-N227 PolarHBondContact O-N 3.37Å; N227-I229 PolarHBondContact O-N 2.89Å; N227-L230 PolarHBondContact O-N 3.27Å; N227-E231 WeakPolarHBondContact O-CG 3.46Å; N227-E231 PolarHBondContact O-N 3.32Å; N227-I255 WeakPolarHBondContact OD1-CG2 3.36Å; N227-L256 PolarHBondContact OD1-N 3.2Å; N227-L256 VanDerWaalsContact OD1-N 3.15Å
228	T	88.1	Confident	88.3	Confident	50 Å²	50	35.4 Å²	35.4	31%	0.307	18%	0.184	S	C	.	.	H	α-helix	trans	-60.2	-43.9	175.6	-49.7	0	0	0	0	112.6	E224 R225 I226 E231 Q232	E224-T228 PolarHBondContact O-N 3.29Å; E224-T228 VanDerWaalsContact O-N 3.15Å; E224-T228 PolarHBondContact O-OG1 3.12Å; R225-T228 PolarHBondContact O-N 3.45Å; I226-T228 VanDerWaalsContact C-N 3.34Å; I226-T228 PolarHBondContact O-N 3.47Å; T228-E231 PolarHBondContact O-N 3.1Å; T228-Q232 WeakPolarHBondContact O-CG 3.26Å; T228-Q232 PolarHBondContact O-N 3.13Å
229	I	89.3	Confident	87.9	Confident	3 Å²	3	37.1 Å²	37.1	2%	0.015	19%	0.192	C	C	.	.	H	α-helix	trans	-64.1	-45.9	178.2	-67.3	166.6	0	0	0	110.5	F202 I219 R225 I226 N227 E231 Q232 V233	F202-I229 HydrophobicContact CD1-CD1 4.36Å; F202-I229 HydrophobicContact CD1-CG1 3.73Å; F202-I229 HydrophobicContact CE1-CD1 3.91Å; F202-I229 HydrophobicContact CE1-CG1 3.61Å; F202-I229 HydrophobicContact CZ-CG1 4.42Å; I219-I229 HydrophobicContact CD1-CG2 3.99Å; I219-I229 HydrophobicContact CG2-CD1 4.04Å; R225-I229 HydrophobicContact CG-CD1 4.28Å; R225-I229 WeakPolarHBondContact O-CG1 3.39Å; R225-I229 PolarHBondContact O-N 3.37Å; I226-I229 PolarHBondContact O-N 2.89Å; N227-I229 PolarHBondContact O-N 2.89Å; I229-E231 VanDerWaalsContact C-N 3.32Å; I229-E231 PolarHBondContact O-N 3.25Å; I229-Q232 PolarHBondContact O-N 3.49Å; I229-Q232 VanDerWaalsContact O-N 3.16Å; I229-V233 HydrophobicContact CG2-CG2 4.42Å; I229-V233 WeakPolarHBondContact O-CG2 3.45Å; I229-V233 PolarHBondContact O-N 2.49Å
230	L	88.3	Confident	87.4	Confident	4 Å²	4	39.5 Å²	39.5	2%	0.021	21%	0.209	C	C	.	.	H	α-helix	trans	-63.9	-36.8	179.6	-70.8	178.8	0	0	0	112	I226 N227 Q232 V233 V234 L247 I255 L257 V260	I226-L230 HydrophobicContact CG2-CD1 3.73Å; I226-L230 HydrophobicContact CG2-CG 4.08Å; I226-L230 WeakPolarHBondContact O-CB 3.31Å; I226-L230 VanDerWaalsContact O-CG 3.31Å; I226-L230 WeakPolarHBondContact O-CG 3.4Å; I226-L230 PolarHBondContact O-N 3.44Å; N227-L230 PolarHBondContact O-N 3.27Å; L230-Q232 VanDerWaalsContact C-N 3.34Å; L230-Q232 PolarHBondContact O-N 2.93Å; L230-V233 WeakPolarHBondContact O-CB 3.5Å; L230-V233 PolarHBondContact O-N 3.22Å; L230-V234 WeakPolarHBondContact O-CG2 3.29Å; L230-V234 PolarHBondContact O-N 3.23Å; L230-L247 HydrophobicContact CD1-CD1 4.49Å; L230-I255 HydrophobicContact CD1-CG2 3.72Å; L230-L257 HydrophobicContact CD1-CD2 4.37Å; L230-V260 HydrophobicContact CB-CG2 4.21Å; L230-V260 HydrophobicContact CD1-CG2 4.48Å
231	E	88.4	Confident	86.7	Confident	81 Å²	81	43 Å²	43	38%	0.379	22%	0.222	S	C	.	.	H	α-helix	trans	-59.6	-43.8	172.4	-76.3	-176.7	162.5	0	0	111.7	N227 T228 I229 V233 V234 I235 R259	N227-E231 WeakPolarHBondContact O-CG 3.46Å; N227-E231 PolarHBondContact O-N 3.32Å; T228-E231 PolarHBondContact O-N 3.1Å; I229-E231 VanDerWaalsContact C-N 3.32Å; I229-E231 PolarHBondContact O-N 3.25Å; E231-V233 PolarHBondContact O-N 3.07Å; E231-V234 PolarHBondContact O-N 3.23Å; E231-I235 VanDerWaalsContact O-CG1 3.27Å; E231-I235 WeakPolarHBondContact O-CG1 3.45Å; E231-I235 PolarHBondContact O-N 3.04Å; E231-R259 IonicContact OE1-CZ 2.72Å; E231-R259 IonicContact OE1-NH1 3.53Å; E231-R259 PolarHBondContact OE1-NH1 3.04Å
232	Q	87.6	Confident	86.3	Confident	15 Å²	15	44.5 Å²	44.5	7%	0.07	24%	0.238	C	C	.	.	H	α-helix	trans	-66.2	-37.7	176.1	-62.6	-46.5	-58.9	0	0	112.6	V199 F202 I206 T228 I229 L230 V234 I235 L236	V199-Q232 HydrophobicContact CG1-CG 3.81Å; F202-Q232 HydrophobicContact CB-CG 4.33Å; I206-Q232 HydrophobicContact CD1-CB 4.17Å; T228-Q232 WeakPolarHBondContact O-CG 3.26Å; T228-Q232 PolarHBondContact O-N 3.13Å; I229-Q232 PolarHBondContact O-N 3.49Å; I229-Q232 VanDerWaalsContact O-N 3.16Å; L230-Q232 VanDerWaalsContact C-N 3.34Å; L230-Q232 PolarHBondContact O-N 2.93Å; Q232-V234 VanDerWaalsContact C-N 3.3Å; Q232-V234 PolarHBondContact O-N 3.48Å; Q232-I235 PolarHBondContact O-N 2.75Å; Q232-L236 WeakPolarHBondContact O-CB 3.48Å; Q232-L236 WeakPolarHBondContact O-CG 3.24Å; Q232-L236 PolarHBondContact O-N 3.32Å
233	V	88.8	Confident	86.4	Confident	2 Å²	2	41.1 Å²	41.1	1%	0.012	22%	0.221	C	C	.	.	H	α-helix	trans	-60.9	-40.2	174.4	167.1	0	0	0	0	111.4	I206 I229 L230 E231 G237 K238 H239 Y245	I206-V233 HydrophobicContact CD1-CG2 3.8Å; I229-V233 HydrophobicContact CG2-CG2 4.42Å; I229-V233 WeakPolarHBondContact O-CG2 3.45Å; I229-V233 PolarHBondContact O-N 2.49Å; L230-V233 WeakPolarHBondContact O-CB 3.5Å; L230-V233 PolarHBondContact O-N 3.22Å; E231-V233 PolarHBondContact O-N 3.07Å; V233-G237 PolarHBondContact O-N 3.06Å; V233-K238 HydrophobicContact CG1-CB 4.14Å; V233-K238 PolarHBondContact O-N 2.81Å; V233-H239 HydrophobicContact CG1-CB 4.17Å; V233-Y245 HydrophobicContact CG1-CE1 4.28Å; V233-Y245 HydrophobicContact CG1-CE2 4.01Å; V233-Y245 VanDerWaalsContact CG1-OH 3.27Å; V233-Y245 WeakPolarHBondContact CG1-OH 3.32Å; V233-Y245 HydrophobicContact CG2-CE1 4.09Å
234	V	88.3	Confident	86.6	Confident	39 Å²	39	40.7 Å²	40.7	24%	0.236	22%	0.217	C	C	.	.	H	α-helix	trans	-66.4	-49.6	176.3	173.7	0	0	0	0	110.8	L230 E231 Q232 L236 G237 H239 V260	L230-V234 WeakPolarHBondContact O-CG2 3.29Å; L230-V234 PolarHBondContact O-N 3.23Å; E231-V234 PolarHBondContact O-N 3.23Å; Q232-V234 VanDerWaalsContact C-N 3.3Å; Q232-V234 PolarHBondContact O-N 3.48Å; V234-L236 VanDerWaalsContact C-N 3.25Å; V234-L236 PolarHBondContact O-N 3.43Å; V234-G237 PolarHBondContact O-N 2.94Å; V234-H239 HydrophobicContact CG2-CB 4.44Å; V234-H239 PolarHBondContact O-CE1 3.32Å; V234-H239 PolarHBondContact O-ND1 2.9Å; V234-V260 HydrophobicContact CG2-CB 4.35Å; V234-V260 HydrophobicContact CG2-CG1 4.34Å; V234-V260 HydrophobicContact CG2-CG2 3.86Å
235	I	86.5	Confident	86.9	Confident	101 Å²	101	34.5 Å²	34.5	52%	0.518	19%	0.188	S	C	.	.	H	α-helix	trans	-57.9	-37.8	179.3	-68.7	164.9	0	0	0	111.7	R203 E231 Q232 G237	R203-I235 VanDerWaalsContact NH2-CG2 3.28Å; E231-I235 VanDerWaalsContact O-CG1 3.27Å; E231-I235 WeakPolarHBondContact O-CG1 3.45Å; E231-I235 PolarHBondContact O-N 3.04Å; Q232-I235 PolarHBondContact O-N 2.75Å; I235-G237 VanDerWaalsContact C-N 3.28Å; I235-G237 PolarHBondContact O-N 3.4Å
236	L	86.5	Confident	87.2	Confident	29 Å²	29	32.2 Å²	32.2	15%	0.152	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-3	177.9	-71.2	175.8	0	0	0	114.2	R203 I206 E207 Q232 V234 K238	R203-L236 HydrophobicContact CG-CD1 3.73Å; R203-L236 HydrophobicContact CG-CD2 3.69Å; R203-L236 HydrophobicContact CG-CG 3.93Å; I206-L236 HydrophobicContact CB-CD1 3.78Å; I206-L236 HydrophobicContact CD1-CD1 4.19Å; I206-L236 HydrophobicContact CG2-CD1 3.59Å; E207-L236 HydrophobicContact CG-CD1 4.45Å; E207-L236 HydrophobicContact CG-CD2 4.39Å; Q232-L236 WeakPolarHBondContact O-CB 3.48Å; Q232-L236 WeakPolarHBondContact O-CG 3.24Å; Q232-L236 PolarHBondContact O-N 3.32Å; V234-L236 VanDerWaalsContact C-N 3.25Å; V234-L236 PolarHBondContact O-N 3.43Å; L236-K238 HydrophobicContact CB-CG 3.75Å; L236-K238 WeakPolarHBondContact O-CE 2.99Å; L236-K238 PolarHBondContact O-N 3.1Å
237	G	85.2	Confident	87.4	Confident	33 Å²	33	32.2 Å²	32.2	34%	0.34	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.7	17.2	-176.2	0	0	0	0	0	114.2	V233 V234 I235 H239 S240	V233-G237 PolarHBondContact O-N 3.06Å; V234-G237 PolarHBondContact O-N 2.94Å; I235-G237 VanDerWaalsContact C-N 3.28Å; I235-G237 PolarHBondContact O-N 3.4Å; G237-H239 PolarHBondContact O-N 3.25Å; G237-S240 PolarHBondContact O-OG 3.36Å; G237-S240 VanDerWaalsContact O-OG 3.05Å
238	K	87.9	Confident	87.6	Confident	43 Å²	43	30.4 Å²	30.4	19%	0.187	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	13.3	-179	-50.3	-60.3	169.2	-173.7	0	113.1	I206 D210 V233 L236 S240 Y243 Y245	I206-K238 HydrophobicContact CG2-CB 4.43Å; I206-K238 HydrophobicContact CG2-CG 3.91Å; D210-K238 IonicContact OD1-NZ 3.29Å; D210-K238 WeakPolarHBondContact OD2-CE 3.49Å; D210-K238 IonicContact OD2-NZ 3.87Å; D210-K238 PolarHBondContact OD2-NZ 3.49Å; V233-K238 HydrophobicContact CG1-CB 4.14Å; V233-K238 PolarHBondContact O-N 2.81Å; L236-K238 HydrophobicContact CB-CG 3.75Å; L236-K238 WeakPolarHBondContact O-CE 2.99Å; L236-K238 PolarHBondContact O-N 3.1Å; K238-S240 VanDerWaalsContact C-N 3.3Å; K238-Y243 HydrophobicContact CB-CE1 4.24Å; K238-Y243 HydrophobicContact CB-CE2 4.45Å; K238-Y243 HydrophobicContact CD-CE2 4.46Å; K238-Y243 WeakPolarHBondContact CD-OH 3.13Å; K238-Y243 WeakPolarHBondContact O-CD2 3.37Å; K238-Y245 PolarHBondContact O-OH 3.15Å
239	H	85.9	Confident	87.7	Confident	36 Å²	36	28.2 Å²	28.2	17%	0.167	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	7.6	168.1	63.5	-65.3	0	0	0	111.9	V233 V234 G237 V260 G263 A265	V233-H239 HydrophobicContact CG1-CB 4.17Å; V234-H239 HydrophobicContact CG2-CB 4.44Å; V234-H239 PolarHBondContact O-CE1 3.32Å; V234-H239 PolarHBondContact O-ND1 2.9Å; G237-H239 PolarHBondContact O-N 3.25Å; H239-V260 HydrophobicContact CB-CG1 3.73Å; H239-G263 WeakPolarHBondContact CD2-CA 2.96Å; H239-G263 CarbonylContact O-C 3.43Å; H239-G263 WeakPolarHBondContact O-CA 3.47Å; H239-A265 VanDerWaalsContact O-CB 3.23Å; H239-A265 WeakPolarHBondContact O-CB 3.14Å; H239-A265 PolarHBondContact O-N 3.23Å
240	S	82.1	Confident	87.8	Confident	50 Å²	50	28.3 Å²	28.3	35%	0.35	16%	0.157	S	C	.	.	B	Isolated β-bridge	trans	-70.4	166.6	-178.7	48.5	0	0	0	0	113.3	G237 K238 G242 Y243 G263	G237-S240 PolarHBondContact O-OG 3.36Å; G237-S240 VanDerWaalsContact O-OG 3.05Å; K238-S240 VanDerWaalsContact C-N 3.3Å; S240-G242 PolarHBondContact O-N 2.99Å; S240-Y243 WeakPolarHBondContact O-CD2 3.44Å; S240-Y243 PolarHBondContact O-N 3.23Å; S240-G263 CarbonylContact C-O 2.99Å; S240-G263 VanDerWaalsContact CA-O 3.25Å; S240-G263 WeakPolarHBondContact CA-O 3.43Å
241	R	78.3	Confident	87.7	Confident	78 Å²	78	28.1 Å²	28.1	29%	0.294	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	130.5	175.6	-174.8	177.4	174.3	168.8	-0.1	111.9	G263 D503	R241-G263 PolarHBondContact N-O 3.45Å; R241-D503 IonicContact CZ-OD1 3.99Å; R241-D503 IonicContact CZ-OD2 3.98Å; R241-D503 IonicContact NH1-OD2 3.75Å; R241-D503 IonicContact NH2-OD1 2.89Å; R241-D503 PolarHBondContact NH2-OD1 3.2Å; R241-D503 IonicContact NH2-OD2 2.66Å; R241-D503 PolarHBondContact NH2-OD2 3.19Å
242	G	79.6	Confident	87.5	Confident	33 Å²	33	24.3 Å²	24.3	34%	0.34	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	108.4	-14.6	179.5	0	0	0	0	0	114.2	K215 S240	K215-G242 WeakPolarHBondContact CB-O 3.49Å; S240-G242 PolarHBondContact O-N 2.99Å
243	Y	87.9	Confident	87.1	Confident	16 Å²	16	26.2 Å²	26.2	6%	0.063	15%	0.151	C	C	.	.			trans	-84.9	147.1	169.1	-67.2	-93.5	0	0	0	111.4	D210 K215 Y217 K238 S240 Y245 A265 N266	D210-Y243 PolarHBondContact OD1-OH 2.99Å; K215-Y243 HydrophobicContact CB-CD1 4.05Å; K215-Y243 HydrophobicContact CB-CE1 4.31Å; K215-Y243 HydrophobicContact CG-CD1 4.26Å; K215-Y243 HydrophobicContact CG-CE1 4.05Å; K215-Y243 WeakPolarHBondContact O-CA 3.5Å; Y217-Y243 HydrophobicContact CE2-CD1 4Å; Y217-Y243 HydrophobicContact CE2-CE1 4.28Å; K238-Y243 HydrophobicContact CB-CE1 4.24Å; K238-Y243 HydrophobicContact CB-CE2 4.45Å; K238-Y243 HydrophobicContact CD-CE2 4.46Å; K238-Y243 WeakPolarHBondContact CD-OH 3.13Å; K238-Y243 WeakPolarHBondContact O-CD2 3.37Å; S240-Y243 WeakPolarHBondContact O-CD2 3.44Å; S240-Y243 PolarHBondContact O-N 3.23Å; Y243-Y245 HydrophobicContact CG-CE2 4.38Å; Y243-A265 WeakPolarHBondContact O-CA 3.16Å; Y243-A265 WeakPolarHBondContact O-CB 3.24Å; Y243-N266 PolarHBondContact O-N 3.4Å
244	H	89.9	Confident	86.4	Confident	21 Å²	21	27 Å²	27	10%	0.097	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	119.1	173.4	-167.1	170.4	0	0	0	109.6	W158 K215 R216 Y217 N266 T268	W158-H244 HydrophobicContact CZ2-CB 3.98Å; W158-H244 AromaticContact CZ2-CD2 3.85Å; W158-H244 AromaticContact CZ2-CE1 3.73Å; W158-H244 AromaticContact CZ2-CG 3.53Å; W158-H244 AromaticContact CZ2-ND1 3.47Å; W158-H244 WeakPolarHBondContact CZ2-ND1 3.33Å; W158-H244 AromaticContact CZ2-NE2 3.96Å; W158-H244 AromaticContact NE1-ND1 3.91Å; K215-H244 PolarHBondContact O-N 3.42Å; R216-H244 WeakPolarHBondContact CA-O 3.16Å; Y217-H244 PolarHBondContact N-O 2.85Å; H244-N266 CarbonylContact C-O 3.57Å; H244-N266 VanDerWaalsContact CA-O 3.27Å; H244-N266 WeakPolarHBondContact CA-O 3.46Å; H244-N266 HydrophobicContact CB-CB 4.4Å; H244-N266 PolarHBondContact CD2-O 3.34Å; H244-N266 VanDerWaalsContact CD2-O 3.22Å; H244-T268 VanDerWaalsContact NE2-CG2 3.34Å; H244-T268 WeakPolarHBondContact NE2-CG2 3.45Å; H244-T268 PolarHBondContact NE2-OG1 3.18Å
245	Y	91.8	Very high	85.9	Confident	3 Å²	3	25.7 Å²	25.7	1%	0.012	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	130.2	177	-61.2	-86.3	0	0	0	110.4	Y217 I219 V233 K238 Y243 A265 N266 I267 T268	Y217-Y245 HydrophobicContact CD2-CD1 4.1Å; Y217-Y245 AromaticContact CD2-CE1 3.55Å; Y217-Y245 HydrophobicContact CD2-CE1 3.55Å; Y217-Y245 HydrophobicContact CE2-CE1 4.3Å; Y217-Y245 HydrophobicContact CG-CD1 4.04Å; Y217-Y245 AromaticContact CG-CE1 3.74Å; Y217-Y245 HydrophobicContact CG-CE1 3.74Å; Y217-Y245 CarbonylContact O-C 3.51Å; Y217-Y245 WeakPolarHBondContact O-CA 3.49Å; I219-Y245 HydrophobicContact CD1-CD1 4.08Å; V233-Y245 HydrophobicContact CG1-CE1 4.28Å; V233-Y245 HydrophobicContact CG1-CE2 4.01Å; V233-Y245 VanDerWaalsContact CG1-OH 3.27Å; V233-Y245 WeakPolarHBondContact CG1-OH 3.32Å; V233-Y245 HydrophobicContact CG2-CE1 4.09Å; K238-Y245 PolarHBondContact O-OH 3.15Å; Y243-Y245 HydrophobicContact CG-CE2 4.38Å; Y245-A265 HydrophobicContact CD2-CB 4.25Å; Y245-A265 HydrophobicContact CE2-CB 4.17Å; Y245-N266 PolarHBondContact N-O 3.44Å; Y245-I267 CarbonylContact O-C 3.51Å; Y245-I267 VanDerWaalsContact O-CA 3.27Å; Y245-I267 WeakPolarHBondContact O-CA 3.49Å; Y245-T268 PolarHBondContact O-N 2.73Å; Y245-T268 PolarHBondContact O-OG1 2.92Å
246	M	93.8	Very high	85.2	Confident	0 Å²	0	25 Å²	25	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	122.9	172.4	-175.2	-179.3	-62.8	0	0	108.6	L152 L153 Y156 W158 Y217 L218 I219 T268	L152-M246 HydrophobicContact CB-CE 4.22Å; L152-M246 HydrophobicContact CD2-CE 3.6Å; L152-M246 HydrophobicContact CD2-CG 4.36Å; L152-M246 HydrophobicContact CD2-SD 3.86Å; L152-M246 HydrophobicContact CG-CE 3.7Å; L152-M246 HydrophobicContact CG-SD 4.37Å; L153-M246 HydrophobicContact CD2-CE 4.32Å; L153-M246 HydrophobicContact CD2-SD 4.5Å; Y156-M246 HydrophobicContact CD2-CE 3.94Å; Y156-M246 HydrophobicContact CE2-CE 4.24Å; W158-M246 HydrophobicContact CH2-CB 3.99Å; W158-M246 HydrophobicContact CH2-CE 4.31Å; W158-M246 HydrophobicContact CZ2-CE 4.39Å; W158-M246 HydrophobicContact CZ3-CB 4.46Å; Y217-M246 PolarHBondContact O-N 2.86Å; L218-M246 WeakPolarHBondContact CA-O 3.31Å; L218-M246 HydrophobicContact CD1-CB 3.8Å; L218-M246 HydrophobicContact CD1-CG 3.66Å; L218-M246 HydrophobicContact CD1-SD 3.69Å; I219-M246 PolarHBondContact N-O 3.36Å; M246-T268 CarbonylContact C-O 3.59Å; M246-T268 WeakPolarHBondContact CA-O 3.45Å; M246-T268 WeakPolarHBondContact CA-OG1 3.47Å; M246-T268 WeakPolarHBondContact CB-OG1 3.25Å
247	L	93.4	Very high	84.4	Confident	1 Å²	1	24.2 Å²	24.2	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	110.2	-175.1	-53.6	-179.1	0	0	0	109.4	I219 I226 L230 N249 F252 I255 L257 I267 T268 F270	I219-L247 HydrophobicContact CB-CD2 4.12Å; I219-L247 HydrophobicContact CD1-CD2 4.03Å; I219-L247 HydrophobicContact CG1-CD2 4.41Å; I226-L247 HydrophobicContact CG2-CD1 4.3Å; I226-L247 HydrophobicContact CG2-CD2 3.99Å; L230-L247 HydrophobicContact CD1-CD1 4.49Å; L247-N249 VanDerWaalsContact C-N 3.26Å; L247-N249 PolarHBondContact O-N 3.47Å; L247-F252 HydrophobicContact CD1-CD2 4.3Å; L247-F252 HydrophobicContact CD1-CE2 4.13Å; L247-I255 HydrophobicContact CB-CD1 4.42Å; L247-I255 HydrophobicContact CD1-CD1 3.62Å; L247-I255 HydrophobicContact CD1-CG2 4.38Å; L247-L257 HydrophobicContact CD1-CD2 4.32Å; L247-I267 HydrophobicContact CD1-CG2 3.73Å; L247-I267 HydrophobicContact CG-CG2 3.98Å; L247-T268 PolarHBondContact N-O 3.4Å; L247-F270 VanDerWaalsContact O-CD2 3.32Å; L247-F270 WeakPolarHBondContact O-CD2 3.11Å
248	A	91.9	Very high	83.7	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.154	C	C	.	.			trans	-84.2	65	-179.3	0	0	0	0	0	111.6	L145 I149 R169 L218 I219 D220	L145-A248 VanDerWaalsContact CD2-C 3.49Å; L145-A248 HydrophobicContact CD2-CB 4.15Å; I149-A248 HydrophobicContact CD1-CB 3.67Å; I149-A248 HydrophobicContact CG1-CB 4.47Å; R169-A248 PolarHBondContact NH1-O 2.83Å; L218-A248 HydrophobicContact CD1-CB 4.23Å; I219-A248 PolarHBondContact O-N 3.19Å; D220-A248 HydrophobicContact CB-CB 3.9Å
249	N	91.1	Very high	82.9	Confident	4 Å²	4	34.1 Å²	34.1	2%	0.021	17%	0.171	C	C	.	.	S	Bend	trans	-144.6	154.8	175.5	-159.6	-13	0	0	0	110.4	V223 I226 L247 F270 Y305	V223-N249 WeakPolarHBondContact CG2-ND2 3.1Å; I226-N249 HydrophobicContact CD1-CB 4.12Å; L247-N249 VanDerWaalsContact C-N 3.26Å; L247-N249 PolarHBondContact O-N 3.47Å; N249-F270 CarbonylContact O-C 3.51Å; N249-F270 WeakPolarHBondContact O-CB 3.32Å; N249-Y305 WeakPolarHBondContact OD1-CE1 3.25Å; N249-Y305 PolarHBondContact OD1-OH 2.9Å
250	L	90.3	Very high	82.1	Confident	5 Å²	5	32.6 Å²	32.6	3%	0.026	16%	0.164	C	C	.	.	S	Bend	trans	-88.8	-3.1	-175.5	-66.7	171	0	0	0	114.2	R142 P143 L145 F270 Q271 I272 Y305 I383	R142-L250 HydrophobicContact CG-CD1 3.67Å; P143-L250 HydrophobicContact CG-CD1 4.1Å; L145-L250 HydrophobicContact CD1-CD2 3.9Å; L250-F270 CarbonylContact C-O 3.59Å; L250-F270 WeakPolarHBondContact CA-O 3.44Å; L250-Q271 VanDerWaalsContact O-CA 3.32Å; L250-Q271 WeakPolarHBondContact O-CA 3.42Å; L250-I272 HydrophobicContact CB-CB 4.26Å; L250-I272 HydrophobicContact CB-CG2 4.02Å; L250-I272 HydrophobicContact CD1-CD1 4.36Å; L250-I272 HydrophobicContact CD2-CB 4.35Å; L250-I272 PolarHBondContact O-N 3.37Å; L250-Y305 HydrophobicContact CB-CD1 4.49Å; L250-Y305 HydrophobicContact CB-CD2 3.82Å; L250-Y305 HydrophobicContact CB-CE2 3.97Å; L250-Y305 HydrophobicContact CB-CG 4.09Å; L250-Y305 HydrophobicContact CD1-CD2 4.33Å; L250-Y305 HydrophobicContact CD1-CE2 4.11Å; L250-I383 HydrophobicContact CD2-CD1 3.83Å; L250-I383 HydrophobicContact CD2-CG1 4.28Å; L250-I383 HydrophobicContact CD2-CG2 4.38Å
251	G	86.1	Confident	81.4	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-118.7	70.4	178.2	0	0	0	0	0	111.6	T253 D254	G251-T253 VanDerWaalsContact C-N 3.29Å; G251-T253 PolarHBondContact O-N 2.95Å; G251-D254 WeakPolarHBondContact O-CB 3.39Å; G251-D254 PolarHBondContact O-N 3.46Å
252	F	85.4	Confident	81	Confident	2 Å²	2	36.9 Å²	36.9	1%	0.009	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-62.7	-36.2	176.8	-175	-108.6	0	0	0	112.6	L247 D254 I255 L257 I267 F270 Q271 Y386 M388	L247-F252 HydrophobicContact CD1-CD2 4.3Å; L247-F252 HydrophobicContact CD1-CE2 4.13Å; F252-D254 PolarHBondContact O-N 3.39Å; F252-I255 PolarHBondContact O-N 3.21Å; F252-L257 HydrophobicContact CD1-CD1 4.1Å; F252-L257 HydrophobicContact CD2-CD1 4.18Å; F252-L257 HydrophobicContact CE1-CD1 3.64Å; F252-L257 HydrophobicContact CE2-CD1 3.75Å; F252-L257 HydrophobicContact CE2-CD2 4.45Å; F252-L257 HydrophobicContact CG-CD1 4.38Å; F252-L257 HydrophobicContact CZ-CD1 3.48Å; F252-L257 VanDerWaalsContact CZ-CD1 3.48Å; F252-I267 HydrophobicContact CE2-CG2 4.07Å; F252-F270 WeakPolarHBondContact CB-O 3.33Å; F252-F270 PolarHBondContact N-O 3.22Å; F252-F270 VanDerWaalsContact N-O 3.14Å; F252-Q271 HydrophobicContact CB-CB 4.5Å; F252-Y386 VanDerWaalsContact CD1-CB 3.44Å; F252-Y386 HydrophobicContact CD1-CG 4.07Å; F252-M388 HydrophobicContact CE1-CE 4.1Å; F252-M388 HydrophobicContact CZ-CB 4.25Å; F252-M388 HydrophobicContact CZ-CE 4.15Å
253	T	77.8	Confident	80.6	Confident	54 Å²	54	36.2 Å²	36.2	33%	0.331	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-68.7	-19.4	177.4	52.7	0	0	0	0	113.7	G251 I255 Q271	G251-T253 VanDerWaalsContact C-N 3.29Å; G251-T253 PolarHBondContact O-N 2.95Å; T253-I255 PolarHBondContact O-N 2.86Å; T253-Q271 VanDerWaalsContact N-OE1 3.11Å; T253-Q271 PolarHBondContact OG1-NE2 3.42Å; T253-Q271 PolarHBondContact OG1-OE1 3.25Å
254	D	74.6	Confident	80	Confident	20 Å²	20	36.9 Å²	36.9	11%	0.107	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-80.6	-10.8	-176.4	-54.5	-12.3	0	0	0	111.4	V223 G251 F252 K304 Y305	V223-D254 HydrophobicContact CG1-CB 4.22Å; V223-D254 HydrophobicContact CG2-CB 4.37Å; G251-D254 WeakPolarHBondContact O-CB 3.39Å; G251-D254 PolarHBondContact O-N 3.46Å; F252-D254 PolarHBondContact O-N 3.39Å; D254-K304 WeakPolarHBondContact OD2-CA 3.38Å; D254-Y305 PolarHBondContact OD2-N 3.26Å
255	I	78.6	Confident	79.8	Confident	10 Å²	10	36.4 Å²	36.4	5%	0.051	19%	0.187	C	C	.	.	S	Bend	trans	-92.4	134.4	-174.4	-56.7	170.7	0	0	0	109.1	V223 I226 N227 L230 L247 F252 T253 L257	V223-I255 HydrophobicContact CG1-CG1 4.15Å; I226-I255 HydrophobicContact CD1-CD1 4.26Å; I226-I255 HydrophobicContact CG2-CD1 4.2Å; I226-I255 HydrophobicContact CG2-CG2 4.03Å; N227-I255 WeakPolarHBondContact OD1-CG2 3.36Å; L230-I255 HydrophobicContact CD1-CG2 3.72Å; L247-I255 HydrophobicContact CB-CD1 4.42Å; L247-I255 HydrophobicContact CD1-CD1 3.62Å; L247-I255 HydrophobicContact CD1-CG2 4.38Å; F252-I255 PolarHBondContact O-N 3.21Å; T253-I255 PolarHBondContact O-N 2.86Å; I255-L257 VanDerWaalsContact C-N 3.29Å; I255-L257 HydrophobicContact CB-CD1 4.44Å; I255-L257 HydrophobicContact CB-CG 4.18Å; I255-L257 HydrophobicContact CG2-CD2 3.99Å; I255-L257 HydrophobicContact CG2-CG 4.02Å; I255-L257 PolarHBondContact O-N 3.09Å
256	L	70.6	Confident	79.6	Confident	87 Å²	87	39.5 Å²	39.5	46%	0.455	20%	0.204	S	C	.	.			trans	-77	78.5	-177.6	-164	90.6	0	0	0	111	N227 R259	N227-L256 PolarHBondContact OD1-N 3.2Å; N227-L256 VanDerWaalsContact OD1-N 3.15Å; L256-R259 HydrophobicContact CD2-CG 4.31Å
257	L	71.3	Confident	79.4	Confident	13 Å²	13	39.6 Å²	39.6	7%	0.068	20%	0.204	C	C	.	.			trans	-81.8	-14.9	-171.4	-67.1	159	0	0	0	113.9	L230 L247 F252 I255 R259 V260 M261 I267 M388	L230-L257 HydrophobicContact CD1-CD2 4.37Å; L247-L257 HydrophobicContact CD1-CD2 4.32Å; F252-L257 HydrophobicContact CD1-CD1 4.1Å; F252-L257 HydrophobicContact CD2-CD1 4.18Å; F252-L257 HydrophobicContact CE1-CD1 3.64Å; F252-L257 HydrophobicContact CE2-CD1 3.75Å; F252-L257 HydrophobicContact CE2-CD2 4.45Å; F252-L257 HydrophobicContact CG-CD1 4.38Å; F252-L257 HydrophobicContact CZ-CD1 3.48Å; F252-L257 VanDerWaalsContact CZ-CD1 3.48Å; I255-L257 VanDerWaalsContact C-N 3.29Å; I255-L257 HydrophobicContact CB-CD1 4.44Å; I255-L257 HydrophobicContact CB-CG 4.18Å; I255-L257 HydrophobicContact CG2-CD2 3.99Å; I255-L257 HydrophobicContact CG2-CG 4.02Å; I255-L257 PolarHBondContact O-N 3.09Å; L257-R259 VanDerWaalsContact C-N 3.27Å; L257-R259 PolarHBondContact O-N 3.48Å; L257-V260 PolarHBondContact O-N 2.01Å; L257-M261 VanDerWaalsContact O-CG 3.25Å; L257-M261 WeakPolarHBondContact O-CG 2.89Å; L257-M261 PolarHBondContact O-N 2.97Å; L257-I267 HydrophobicContact CD2-CD1 4Å; L257-I267 HydrophobicContact CD2-CG2 4.19Å; L257-M388 HydrophobicContact CB-CE 3.64Å; L257-M388 HydrophobicContact CD1-CE 3.48Å; L257-M388 VanDerWaalsContact CD1-CE 3.48Å; L257-M388 HydrophobicContact CG-CE 4.07Å
258	E	70	Confident	79.3	Confident	140 Å²	140	39.5 Å²	39.5	65%	0.654	20%	0.204	S	C	*	.	H	α-helix	trans	-54.3	-40.1	-175.6	-67.6	-173.6	167.3	0	0	113.3	V260 M261	E258-V260 VanDerWaalsContact C-N 3.26Å; E258-V260 PolarHBondContact O-N 3.12Å; E258-M261 HydrophobicContact CB-CE 4.49Å; E258-M261 HydrophobicContact CG-CE 4.33Å; E258-M261 PolarHBondContact O-N 3.44Å
259	R	70.4	Confident	79.3	Confident	144 Å²	144	39.5 Å²	39.5	54%	0.543	20%	0.204	S	C	.	.	H	α-helix	trans	-68.6	-24.6	-179.8	-65.1	-176.8	-179.6	170.7	2.6	113.3	E231 L256 L257	E231-R259 IonicContact OE1-CZ 2.72Å; E231-R259 IonicContact OE1-NH1 3.53Å; E231-R259 PolarHBondContact OE1-NH1 3.04Å; L256-R259 HydrophobicContact CD2-CG 4.31Å; L257-R259 VanDerWaalsContact C-N 3.27Å; L257-R259 PolarHBondContact O-N 3.48Å
260	V	70.3	Confident	79.4	Confident	4 Å²	4	39.4 Å²	39.4	2%	0.024	20%	0.203	C	C	.	.	H	α-helix	trans	-94.1	-18.3	-177.3	-157.9	0	0	0	0	111.5	L230 V234 H239 L257 E258 H262 G263 I267	L230-V260 HydrophobicContact CB-CG2 4.21Å; L230-V260 HydrophobicContact CD1-CG2 4.48Å; V234-V260 HydrophobicContact CG2-CB 4.35Å; V234-V260 HydrophobicContact CG2-CG1 4.34Å; V234-V260 HydrophobicContact CG2-CG2 3.86Å; H239-V260 HydrophobicContact CB-CG1 3.73Å; L257-V260 PolarHBondContact O-N 2.01Å; E258-V260 VanDerWaalsContact C-N 3.26Å; E258-V260 PolarHBondContact O-N 3.12Å; V260-H262 VanDerWaalsContact C-N 3.28Å; V260-H262 PolarHBondContact O-N 3.09Å; V260-G263 PolarHBondContact O-N 3.01Å; V260-I267 HydrophobicContact CB-CD1 3.89Å; V260-I267 HydrophobicContact CG1-CD1 3.58Å
261	M	66.7	Low	79.4	Confident	52 Å²	52	39.3 Å²	39.3	26%	0.256	20%	0.202	S	C	.	.	H	α-helix	trans	-58.5	-34.2	-175.2	-66.2	-153	-63.1	0	0	113.9	L257 E258 G263 M388	L257-M261 VanDerWaalsContact O-CG 3.25Å; L257-M261 WeakPolarHBondContact O-CG 2.89Å; L257-M261 PolarHBondContact O-N 2.97Å; E258-M261 HydrophobicContact CB-CE 4.49Å; E258-M261 HydrophobicContact CG-CE 4.33Å; E258-M261 PolarHBondContact O-N 3.44Å; M261-G263 VanDerWaalsContact C-N 3.31Å; M261-G263 PolarHBondContact O-N 2.77Å; M261-M388 HydrophobicContact CG-CG 4.35Å; M261-M388 HydrophobicContact CG-SD 3.92Å; M261-M388 HydrophobicContact SD-CE 4.44Å; M261-M388 HydrophobicContact SD-SD 3.63Å; M261-M388 VanDerWaalsContact SD-SD 3.63Å
262	H	69.9	Low	79.7	Confident	166 Å²	166	39.7 Å²	39.7	77%	0.769	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-8	-173.9	-63	-61.2	0	0	0	114.8	V260	V260-H262 VanDerWaalsContact C-N 3.28Å; V260-H262 PolarHBondContact O-N 3.09Å
263	G	70.6	Confident	80	Confident	18 Å²	18	39.9 Å²	39.9	19%	0.186	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-25.4	-176	0	0	0	0	0	115.6	H239 S240 R241 V260 M261	H239-G263 WeakPolarHBondContact CD2-CA 2.96Å; H239-G263 CarbonylContact O-C 3.43Å; H239-G263 WeakPolarHBondContact O-CA 3.47Å; S240-G263 CarbonylContact C-O 2.99Å; S240-G263 VanDerWaalsContact CA-O 3.25Å; S240-G263 WeakPolarHBondContact CA-O 3.43Å; R241-G263 PolarHBondContact N-O 3.45Å; V260-G263 PolarHBondContact O-N 3.01Å; M261-G263 VanDerWaalsContact C-N 3.31Å; M261-G263 PolarHBondContact O-N 2.77Å
264	G	76.4	Confident	80.4	Confident	30 Å²	30	39.2 Å²	39.2	31%	0.309	20%	0.2	S	C	.	.	B	Isolated β-bridge	trans	82.5	13.6	-177.6	0	0	0	0	0	115.6
265	A	84.3	Confident	80.9	Confident	11 Å²	11	41.7 Å²	41.7	9%	0.091	21%	0.213	C	C	.	.			trans	-73.4	146.1	164	0	0	0	0	0	111.2	H239 Y243 Y245	H239-A265 VanDerWaalsContact O-CB 3.23Å; H239-A265 WeakPolarHBondContact O-CB 3.14Å; H239-A265 PolarHBondContact O-N 3.23Å; Y243-A265 WeakPolarHBondContact O-CA 3.16Å; Y243-A265 WeakPolarHBondContact O-CB 3.24Å; Y245-A265 HydrophobicContact CD2-CB 4.25Å; Y245-A265 HydrophobicContact CE2-CB 4.17Å
266	N	87.3	Confident	81.1	Confident	69 Å²	69	47.5 Å²	47.5	37%	0.369	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	131.1	173.3	-72.7	12.3	0	0	0	109.1	Y243 H244 Y245	Y243-N266 PolarHBondContact O-N 3.4Å; H244-N266 CarbonylContact C-O 3.57Å; H244-N266 VanDerWaalsContact CA-O 3.27Å; H244-N266 WeakPolarHBondContact CA-O 3.46Å; H244-N266 HydrophobicContact CB-CB 4.4Å; H244-N266 PolarHBondContact CD2-O 3.34Å; H244-N266 VanDerWaalsContact CD2-O 3.22Å; Y245-N266 PolarHBondContact N-O 3.44Å
267	I	90.1	Very high	81.9	Confident	1 Å²	1	45.3 Å²	45.3	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	125.4	175.1	-50	176.6	0	0	0	108.5	Y245 L247 F252 L257 V260 E387 M388	Y245-I267 CarbonylContact O-C 3.51Å; Y245-I267 VanDerWaalsContact O-CA 3.27Å; Y245-I267 WeakPolarHBondContact O-CA 3.49Å; L247-I267 HydrophobicContact CD1-CG2 3.73Å; L247-I267 HydrophobicContact CG-CG2 3.98Å; F252-I267 HydrophobicContact CE2-CG2 4.07Å; L257-I267 HydrophobicContact CD2-CD1 4Å; L257-I267 HydrophobicContact CD2-CG2 4.19Å; V260-I267 HydrophobicContact CB-CD1 3.89Å; V260-I267 HydrophobicContact CG1-CD1 3.58Å; I267-E387 CarbonylContact O-C 3.51Å; I267-E387 WeakPolarHBondContact O-CA 3.41Å; I267-M388 HydrophobicContact CB-CB 3.88Å; I267-M388 PolarHBondContact O-N 2.87Å
268	T	91.4	Very high	82.7	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	145.8	176.2	50.3	0	0	0	0	109.7	Y156 H244 Y245 M246 L247 Y386 E387	Y156-T268 HydrophobicContact CE2-CG2 3.94Å; Y156-T268 VanDerWaalsContact OH-CG2 3.23Å; Y156-T268 WeakPolarHBondContact OH-CG2 3.49Å; H244-T268 VanDerWaalsContact NE2-CG2 3.34Å; H244-T268 WeakPolarHBondContact NE2-CG2 3.45Å; H244-T268 PolarHBondContact NE2-OG1 3.18Å; Y245-T268 PolarHBondContact O-N 2.73Å; Y245-T268 PolarHBondContact O-OG1 2.92Å; M246-T268 CarbonylContact C-O 3.59Å; M246-T268 WeakPolarHBondContact CA-O 3.45Å; M246-T268 WeakPolarHBondContact CA-OG1 3.47Å; M246-T268 WeakPolarHBondContact CB-OG1 3.25Å; L247-T268 PolarHBondContact N-O 3.4Å; T268-Y386 WeakPolarHBondContact CA-O 3.37Å; T268-E387 HydrophobicContact CG2-CB 4.45Å; T268-E387 HydrophobicContact CG2-CG 4.17Å
269	G	92	Very high	83.5	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	178.4	175.8	0	0	0	0	0	112.4	Y386	G269-Y386 PolarHBondContact N-O 3.4Å; G269-Y386 PolarHBondContact O-N 3.45Å
270	F	93	Very high	84.4	Confident	1 Å²	1	39 Å²	39	0%	0.004	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	142.2	-173	-51.5	-85.8	0	0	0	110.6	L145 A148 I149 L152 L247 N249 L250 F252 I383 D384 V385	L145-F270 HydrophobicContact CD1-CB 4.13Å; L145-F270 HydrophobicContact CD1-CD1 4.16Å; L145-F270 HydrophobicContact CD1-CD2 3.89Å; L145-F270 HydrophobicContact CD1-CE2 4.34Å; L145-F270 HydrophobicContact CD1-CG 3.79Å; L145-F270 HydrophobicContact CD2-CD2 4.11Å; L145-F270 HydrophobicContact CD2-CE2 4.49Å; L145-F270 HydrophobicContact CG-CD2 4.41Å; A148-F270 HydrophobicContact CB-CD1 4.32Å; A148-F270 HydrophobicContact CB-CE1 3.93Å; I149-F270 HydrophobicContact CG1-CE2 3.89Å; I149-F270 HydrophobicContact CG1-CZ 3.94Å; L152-F270 HydrophobicContact CD2-CE1 3.9Å; L152-F270 HydrophobicContact CD2-CZ 3.68Å; L247-F270 VanDerWaalsContact O-CD2 3.32Å; L247-F270 WeakPolarHBondContact O-CD2 3.11Å; N249-F270 CarbonylContact O-C 3.51Å; N249-F270 WeakPolarHBondContact O-CB 3.32Å; L250-F270 CarbonylContact C-O 3.59Å; L250-F270 WeakPolarHBondContact CA-O 3.44Å; F252-F270 WeakPolarHBondContact CB-O 3.33Å; F252-F270 PolarHBondContact N-O 3.22Å; F252-F270 VanDerWaalsContact N-O 3.14Å; F270-I383 HydrophobicContact CB-CG2 3.69Å; F270-I383 HydrophobicContact CD1-CG2 3.91Å; F270-I383 HydrophobicContact CG-CG2 4.23Å; F270-D384 WeakPolarHBondContact CA-O 3.35Å; F270-V385 HydrophobicContact CD1-CG2 3.99Å; F270-V385 HydrophobicContact CE1-CG2 4.09Å
271	Q	91.7	Very high	85.3	Confident	3 Å²	3	43.3 Å²	43.3	1%	0.014	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	127.6	178.6	-174.3	71.2	15.2	0	0	108.8	L250 F252 T253 V273 D384 Y386	L250-Q271 VanDerWaalsContact O-CA 3.32Å; L250-Q271 WeakPolarHBondContact O-CA 3.42Å; F252-Q271 HydrophobicContact CB-CB 4.5Å; T253-Q271 VanDerWaalsContact N-OE1 3.11Å; T253-Q271 PolarHBondContact OG1-NE2 3.42Å; T253-Q271 PolarHBondContact OG1-OE1 3.25Å; Q271-V273 VanDerWaalsContact CG-O 3.22Å; Q271-V273 WeakPolarHBondContact CG-O 3.42Å; Q271-V273 PolarHBondContact NE2-O 2.8Å; Q271-D384 HydrophobicContact CB-CB 4.47Å; Q271-D384 PolarHBondContact N-O 3.28Å; Q271-D384 WeakPolarHBondContact O-CB 3.33Å; Q271-D384 PolarHBondContact O-N 2.8Å; Q271-Y386 HydrophobicContact CB-CD2 3.49Å; Q271-Y386 VanDerWaalsContact CB-CD2 3.49Å; Q271-Y386 HydrophobicContact CB-CE2 3.45Å; Q271-Y386 VanDerWaalsContact CB-CE2 3.45Å; Q271-Y386 HydrophobicContact CG-CD2 4.35Å; Q271-Y386 HydrophobicContact CG-CE2 3.89Å
272	I	92.1	Very high	86.4	Confident	8 Å²	8	46.2 Å²	46.2	4%	0.041	25%	0.246	C	C	.	.			trans	-98.8	-30.2	175.4	-163.2	171.3	0	0	0	113.2	P143 L250 Y305 T367 R378	P143-I272 HydrophobicContact CG-CD1 3.47Å; P143-I272 VanDerWaalsContact CG-CD1 3.47Å; L250-I272 HydrophobicContact CB-CB 4.26Å; L250-I272 HydrophobicContact CB-CG2 4.02Å; L250-I272 HydrophobicContact CD1-CD1 4.36Å; L250-I272 HydrophobicContact CD2-CB 4.35Å; L250-I272 PolarHBondContact O-N 3.37Å; I272-Y305 HydrophobicContact CG2-CD2 4.44Å; I272-T367 HydrophobicContact CD1-CG2 4.24Å; I272-T367 HydrophobicContact CG1-CG2 4.25Å; I272-T367 HydrophobicContact CG2-CG2 4.25Å; I272-R378 VanDerWaalsContact CD1-NH1 3.29Å
273	V	90.9	Very high	87.3	Confident	6 Å²	6	38.9 Å²	38.9	4%	0.036	21%	0.212	C	C	.	.	S	Bend	trans	-90.4	114.2	179.6	-176.6	0	0	0	0	108.6	Q271 N275 V280 A308 T367	Q271-V273 VanDerWaalsContact CG-O 3.22Å; Q271-V273 WeakPolarHBondContact CG-O 3.42Å; Q271-V273 PolarHBondContact NE2-O 2.8Å; V273-N275 PolarHBondContact O-N 2.95Å; V273-V280 HydrophobicContact CG1-CG1 3.8Å; V273-V280 HydrophobicContact CG1-CG2 4.29Å; V273-A308 HydrophobicContact CG2-CB 3.59Å; V273-T367 HydrophobicContact CG2-CG2 4.38Å
274	N	87.3	Confident	88.1	Confident	41 Å²	41	40.5 Å²	40.5	22%	0.219	22%	0.216	C	C	.	.			trans	-86.6	108.6	175.4	-175.3	-2	0	0	0	110.6	E276 N277	N274-E276 PolarHBondContact O-N 3.1Å; N274-E276 VanDerWaalsContact OD1-CB 3.27Å; N274-E276 WeakPolarHBondContact OD1-CB 3.38Å; N274-E276 PolarHBondContact OD1-N 3.34Å; N274-N277 WeakPolarHBondContact O-CB 3.33Å; N274-N277 PolarHBondContact O-N 3.42Å; N274-N277 VanDerWaalsContact O-N 3.16Å
275	N	83	Confident	88.7	Confident	72 Å²	72	44.1 Å²	44.1	39%	0.385	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-13.2	179.4	-67	-7.4	0	0	0	113.7	V273 N277 Q281	V273-N275 PolarHBondContact O-N 2.95Å; N275-N277 VanDerWaalsContact C-N 3.33Å; N275-Q281 WeakPolarHBondContact O-CG 3.34Å; N275-Q281 PolarHBondContact O-NE2 2.54Å; N275-Q281 VanDerWaalsContact O-NE2 3.1Å
276	E	83.9	Confident	88.9	Confident	132 Å²	132	50.1 Å²	50.1	62%	0.617	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-16.6	175	-57.6	176.3	173.3	0	0	112.2	N274 P278	N274-E276 PolarHBondContact O-N 3.1Å; N274-E276 VanDerWaalsContact OD1-CB 3.27Å; N274-E276 WeakPolarHBondContact OD1-CB 3.38Å; N274-E276 PolarHBondContact OD1-N 3.34Å; E276-P278 WeakPolarHBondContact O-CD 3.47Å
277	N	87.7	Confident	89	Confident	40 Å²	40	47 Å²	47	21%	0.214	23%	0.228	C	C	.	.	S	Bend	trans	-68.9	125.6	-179.1	-174.8	-20.1	0	0	0	110.5	N274 N275 M279 V280 Q281	N274-N277 WeakPolarHBondContact O-CB 3.33Å; N274-N277 PolarHBondContact O-N 3.42Å; N274-N277 VanDerWaalsContact O-N 3.16Å; N275-N277 VanDerWaalsContact C-N 3.33Å; N277-M279 PolarHBondContact O-N 3.35Å; N277-M279 VanDerWaalsContact O-N 3.13Å; N277-M279 PolarHBondContact OD1-N 2.88Å; N277-V280 HydrophobicContact CB-CB 4.29Å; N277-V280 HydrophobicContact CB-CG2 3.99Å; N277-V280 PolarHBondContact O-N 2.76Å; N277-Q281 PolarHBondContact O-N 3.12Å
278	P	88.5	Confident	88.8	Confident	83 Å²	83	50.2 Å²	50.2	54%	0.539	25%	0.248	S	C	.	.	H	α-helix	trans	-53.7	-34.9	178.6	-27.7	34.6	0	0	0	114.1	E276 Q281 Q282	E276-P278 WeakPolarHBondContact O-CD 3.47Å; P278-Q281 PolarHBondContact O-N 2.93Å; P278-Q282 WeakPolarHBondContact O-CB 3.45Å; P278-Q282 VanDerWaalsContact O-CG 3.27Å; P278-Q282 WeakPolarHBondContact O-CG 3.44Å; P278-Q282 PolarHBondContact O-N 3.02Å
279	M	86.8	Confident	88.6	Confident	82 Å²	82	59.7 Å²	59.7	40%	0.404	28%	0.284	S	S	.	.	H	α-helix	trans	-63	-44.8	177.3	-177.6	-174.1	-73.2	0	0	111.3	N277 Q282 F283	N277-M279 PolarHBondContact O-N 3.35Å; N277-M279 VanDerWaalsContact O-N 3.13Å; N277-M279 PolarHBondContact OD1-N 2.88Å; M279-Q282 PolarHBondContact O-N 3.06Å; M279-F283 PolarHBondContact O-N 3.39Å
280	V	89.3	Confident	88.3	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-67.4	-42.4	179	177.3	0	0	0	0	110	V273 N277 Q282 F283 I284 M366	V273-V280 HydrophobicContact CG1-CG1 3.8Å; V273-V280 HydrophobicContact CG1-CG2 4.29Å; N277-V280 HydrophobicContact CB-CB 4.29Å; N277-V280 HydrophobicContact CB-CG2 3.99Å; N277-V280 PolarHBondContact O-N 2.76Å; V280-Q282 PolarHBondContact O-N 3.45Å; V280-F283 PolarHBondContact O-N 3.32Å; V280-I284 HydrophobicContact CG1-CD1 3.69Å; V280-I284 HydrophobicContact CG1-CG1 4.28Å; V280-I284 WeakPolarHBondContact O-CB 3.38Å; V280-I284 VanDerWaalsContact O-CG1 3.29Å; V280-I284 WeakPolarHBondContact O-CG1 3.38Å; V280-I284 PolarHBondContact O-N 3.46Å; V280-M366 HydrophobicContact CG2-CB 4.05Å; V280-M366 HydrophobicContact CG2-CG 4.06Å
281	Q	89.3	Confident	88	Confident	94 Å²	94	65.7 Å²	65.7	44%	0.439	32%	0.316	S	S	.	.	H	α-helix	trans	-61.9	-43.5	176.7	-67.8	-170.5	-8.4	0	0	112.5	N275 N277 P278 F283 I284 Q285	N275-Q281 WeakPolarHBondContact O-CG 3.34Å; N275-Q281 PolarHBondContact O-NE2 2.54Å; N275-Q281 VanDerWaalsContact O-NE2 3.1Å; N277-Q281 PolarHBondContact O-N 3.12Å; P278-Q281 PolarHBondContact O-N 2.93Å; Q281-F283 VanDerWaalsContact C-N 3.33Å; Q281-F283 PolarHBondContact O-N 3.04Å; Q281-I284 PolarHBondContact O-N 3.14Å; Q281-Q285 WeakPolarHBondContact O-CB 3.36Å; Q281-Q285 WeakPolarHBondContact O-CG 3.5Å; Q281-Q285 PolarHBondContact O-N 3.29Å
282	Q	88.7	Confident	87.6	Confident	113 Å²	113	69.5 Å²	69.5	53%	0.528	33%	0.333	S	S	.	.	H	α-helix	trans	-63.6	-40	175.8	-73.2	176.6	11.9	0	0	111.9	P278 M279 V280 R286	P278-Q282 WeakPolarHBondContact O-CB 3.45Å; P278-Q282 VanDerWaalsContact O-CG 3.27Å; P278-Q282 WeakPolarHBondContact O-CG 3.44Å; P278-Q282 PolarHBondContact O-N 3.02Å; M279-Q282 PolarHBondContact O-N 3.06Å; V280-Q282 PolarHBondContact O-N 3.45Å; Q282-R286 WeakPolarHBondContact O-CG 3.32Å; Q282-R286 PolarHBondContact O-N 3.44Å
283	F	88.9	Confident	87.2	Confident	12 Å²	12	80.3 Å²	80.3	5%	0.053	37%	0.374	C	S	.	.	H	α-helix	trans	-62.4	-51.1	174.6	-178	-89.9	0	0	0	111	F53 M279 V280 Q281 Q285 R286 W287 L303 H311 M366	F53-F283 AromaticContact CD1-CE2 3.58Å; F53-F283 HydrophobicContact CD1-CE2 3.58Å; F53-F283 AromaticContact CD1-CZ 3.72Å; F53-F283 HydrophobicContact CD1-CZ 3.72Å; F53-F283 HydrophobicContact CE1-CD2 4.03Å; F53-F283 AromaticContact CE1-CE2 3.47Å; F53-F283 HydrophobicContact CE1-CE2 3.47Å; F53-F283 VanDerWaalsContact CE1-CE2 3.47Å; F53-F283 AromaticContact CE1-CZ 3.88Å; F53-F283 HydrophobicContact CE1-CZ 3.88Å; M279-F283 PolarHBondContact O-N 3.39Å; V280-F283 PolarHBondContact O-N 3.32Å; Q281-F283 VanDerWaalsContact C-N 3.33Å; Q281-F283 PolarHBondContact O-N 3.04Å; F283-Q285 VanDerWaalsContact C-N 3.33Å; F283-Q285 PolarHBondContact O-N 2.9Å; F283-R286 PolarHBondContact O-N 2.63Å; F283-R286 VanDerWaalsContact O-N 3.09Å; F283-W287 HydrophobicContact CD1-CB 4.42Å; F283-W287 HydrophobicContact CE1-CB 4.24Å; F283-W287 HydrophobicContact CE1-CD2 4.29Å; F283-W287 HydrophobicContact CE1-CE3 4.19Å; F283-W287 HydrophobicContact CE1-CG 4.34Å; F283-W287 HydrophobicContact CZ-CE3 4.04Å; F283-W287 VanDerWaalsContact O-CB 3.3Å; F283-W287 WeakPolarHBondContact O-CB 3.41Å; F283-W287 PolarHBondContact O-N 3.13Å; F283-L303 HydrophobicContact CD1-CD2 3.97Å; F283-L303 HydrophobicContact CE1-CD1 4.13Å; F283-L303 HydrophobicContact CE1-CD2 3.81Å; F283-H311 AromaticContact CD2-CD2 3.98Å; F283-H311 AromaticContact CD2-NE2 3.96Å; F283-H311 AromaticContact CE2-CD2 3.42Å; F283-H311 VanDerWaalsContact CE2-CD2 3.42Å; F283-H311 WeakPolarHBondContact CE2-CD2 3.29Å; F283-H311 AromaticContact CE2-NE2 3.87Å; F283-M366 HydrophobicContact CB-SD 4.07Å; F283-M366 HydrophobicContact CD1-CE 3.71Å; F283-M366 HydrophobicContact CD1-SD 3.56Å; F283-M366 VanDerWaalsContact CD1-SD 3.56Å; F283-M366 HydrophobicContact CD2-CE 3.79Å; F283-M366 HydrophobicContact CD2-SD 4.27Å; F283-M366 HydrophobicContact CE1-CE 3.64Å; F283-M366 HydrophobicContact CE1-SD 4.04Å; F283-M366 HydrophobicContact CE2-CE 3.72Å; F283-M366 HydrophobicContact CG-CE 3.79Å; F283-M366 HydrophobicContact CG-SD 3.69Å; F283-M366 HydrophobicContact CZ-CE 3.65Å
284	I	88.3	Confident	86.9	Confident	53 Å²	53	85.9 Å²	85.9	27%	0.272	40%	0.399	S	S	.	.	H	α-helix	trans	-59.5	-43	179.2	-68.4	170.8	0	0	0	111.1	V280 Q281 R286 W287 V288 L303	V280-I284 HydrophobicContact CG1-CD1 3.69Å; V280-I284 HydrophobicContact CG1-CG1 4.28Å; V280-I284 WeakPolarHBondContact O-CB 3.38Å; V280-I284 VanDerWaalsContact O-CG1 3.29Å; V280-I284 WeakPolarHBondContact O-CG1 3.38Å; V280-I284 PolarHBondContact O-N 3.46Å; Q281-I284 PolarHBondContact O-N 3.14Å; I284-R286 VanDerWaalsContact C-N 3.26Å; I284-R286 PolarHBondContact O-N 3.38Å; I284-W287 WeakPolarHBondContact O-CB 3.36Å; I284-W287 PolarHBondContact O-N 2.83Å; I284-V288 HydrophobicContact CG2-CG2 4.16Å; I284-V288 WeakPolarHBondContact O-CG2 3.46Å; I284-V288 PolarHBondContact O-N 3.14Å; I284-L303 HydrophobicContact CG1-CD2 4.45Å
285	Q	88.5	Confident	86.8	Confident	106 Å²	106	84.2 Å²	84.2	50%	0.495	39%	0.39	S	S	.	.	H	α-helix	trans	-60	-35.6	177	-76.9	175.3	13.5	0	0	112.8	Q281 F283 R289	Q281-Q285 WeakPolarHBondContact O-CB 3.36Å; Q281-Q285 WeakPolarHBondContact O-CG 3.5Å; Q281-Q285 PolarHBondContact O-N 3.29Å; F283-Q285 VanDerWaalsContact C-N 3.33Å; F283-Q285 PolarHBondContact O-N 2.9Å; Q285-R289 WeakPolarHBondContact O-CD 3.41Å; Q285-R289 VanDerWaalsContact O-CG 3.25Å; Q285-R289 WeakPolarHBondContact O-CG 3.42Å; Q285-R289 PolarHBondContact O-NE 2.95Å
286	R	88.5	Confident	86.9	Confident	136 Å²	136	83.3 Å²	83.3	51%	0.513	39%	0.388	S	S	.	.	H	α-helix	trans	-78	-40.5	175.3	-68.2	178	-176.4	-172.3	2.6	111.5	F53 Q282 F283 I284 V288 R289 L290	F53-R286 HydrophobicContact CZ-CB 4.05Å; Q282-R286 WeakPolarHBondContact O-CG 3.32Å; Q282-R286 PolarHBondContact O-N 3.44Å; F283-R286 PolarHBondContact O-N 2.63Å; F283-R286 VanDerWaalsContact O-N 3.09Å; I284-R286 VanDerWaalsContact C-N 3.26Å; I284-R286 PolarHBondContact O-N 3.38Å; R286-V288 PolarHBondContact O-N 3.01Å; R286-R289 WeakPolarHBondContact O-CB 3.39Å; R286-R289 PolarHBondContact O-N 3.36Å; R286-R289 VanDerWaalsContact O-N 3.15Å; R286-L290 PolarHBondContact O-N 2.81Å
287	W	88.4	Confident	86.8	Confident	4 Å²	4	80.3 Å²	80.3	2%	0.015	37%	0.374	C	S	.	.	H	α-helix	trans	-57.5	-48.3	179.1	-177.7	-103.9	0	0	0	112.2	Q46 A50 F53 F283 I284 R289 L290 A298 L303	Q46-W287 HydrophobicContact CG-CZ2 3.99Å; A50-W287 HydrophobicContact CB-CH2 4Å; A50-W287 HydrophobicContact CB-CZ3 4.26Å; F53-W287 HydrophobicContact CB-CE3 4.43Å; F53-W287 HydrophobicContact CB-CZ3 3.9Å; F53-W287 AromaticContact CD1-CE3 3.65Å; F53-W287 HydrophobicContact CD1-CE3 3.65Å; F53-W287 AromaticContact CD1-CZ3 3.95Å; F53-W287 HydrophobicContact CD1-CZ3 3.95Å; F53-W287 HydrophobicContact CE1-CE3 4.18Å; F53-W287 HydrophobicContact CG-CE3 4.17Å; F53-W287 HydrophobicContact CG-CZ3 4.14Å; F283-W287 HydrophobicContact CD1-CB 4.42Å; F283-W287 HydrophobicContact CE1-CB 4.24Å; F283-W287 HydrophobicContact CE1-CD2 4.29Å; F283-W287 HydrophobicContact CE1-CE3 4.19Å; F283-W287 HydrophobicContact CE1-CG 4.34Å; F283-W287 HydrophobicContact CZ-CE3 4.04Å; F283-W287 VanDerWaalsContact O-CB 3.3Å; F283-W287 WeakPolarHBondContact O-CB 3.41Å; F283-W287 PolarHBondContact O-N 3.13Å; I284-W287 WeakPolarHBondContact O-CB 3.36Å; I284-W287 PolarHBondContact O-N 2.83Å; W287-R289 PolarHBondContact O-N 2.75Å; W287-L290 HydrophobicContact CD2-CD1 4.41Å; W287-L290 HydrophobicContact CE3-CD1 3.72Å; W287-L290 HydrophobicContact CZ3-CD1 4.07Å; W287-L290 WeakPolarHBondContact O-CB 3.34Å; W287-L290 WeakPolarHBondContact O-CG 3.23Å; W287-L290 PolarHBondContact O-N 2.97Å; W287-L290 VanDerWaalsContact O-N 3.16Å; W287-A298 HydrophobicContact CD2-CB 4.31Å; W287-A298 HydrophobicContact CH2-CB 4.42Å; W287-A298 HydrophobicContact CZ2-CB 3.89Å; W287-A298 PolarHBondContact NE1-O 2.9Å; W287-L303 HydrophobicContact CD2-CD1 4.47Å; W287-L303 HydrophobicContact CZ2-CD1 4.39Å
288	V	86.5	Confident	86.4	Confident	68 Å²	68	78.5 Å²	78.5	41%	0.412	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-19	179.9	175.5	0	0	0	0	112.8	I284 R286	I284-V288 HydrophobicContact CG2-CG2 4.16Å; I284-V288 WeakPolarHBondContact O-CG2 3.46Å; I284-V288 PolarHBondContact O-N 3.14Å; R286-V288 PolarHBondContact O-N 3.01Å
289	R	87.4	Confident	85.8	Confident	200 Å²	200	80.7 Å²	80.7	76%	0.755	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-9.2	177.4	-69.8	174.6	-172.5	179.5	4.1	113.6	Q285 R286 W287	Q285-R289 WeakPolarHBondContact O-CD 3.41Å; Q285-R289 VanDerWaalsContact O-CG 3.25Å; Q285-R289 WeakPolarHBondContact O-CG 3.42Å; Q285-R289 PolarHBondContact O-NE 2.95Å; R286-R289 WeakPolarHBondContact O-CB 3.39Å; R286-R289 PolarHBondContact O-N 3.36Å; R286-R289 VanDerWaalsContact O-N 3.15Å; W287-R289 PolarHBondContact O-N 2.75Å
290	L	86.6	Confident	85.1	Confident	33 Å²	33	82.5 Å²	82.5	17%	0.173	38%	0.377	C	S	.	.	S	Bend	trans	-67.8	150.4	178.9	-65.3	172.5	0	0	0	111.2	F53 R286 W287 F295 A298	F53-L290 HydrophobicContact CB-CD1 4.41Å; F53-L290 HydrophobicContact CD1-CD1 4.24Å; F53-L290 HydrophobicContact CD2-CD1 3.57Å; F53-L290 HydrophobicContact CD2-CD2 3.97Å; F53-L290 HydrophobicContact CD2-CG 4.36Å; F53-L290 HydrophobicContact CE1-CD1 4.43Å; F53-L290 HydrophobicContact CE2-CD1 3.82Å; F53-L290 HydrophobicContact CE2-CD2 3.76Å; F53-L290 HydrophobicContact CE2-CG 4.23Å; F53-L290 HydrophobicContact CG-CD1 3.81Å; F53-L290 HydrophobicContact CZ-CD1 4.23Å; R286-L290 PolarHBondContact O-N 2.81Å; W287-L290 HydrophobicContact CD2-CD1 4.41Å; W287-L290 HydrophobicContact CE3-CD1 3.72Å; W287-L290 HydrophobicContact CZ3-CD1 4.07Å; W287-L290 WeakPolarHBondContact O-CB 3.34Å; W287-L290 WeakPolarHBondContact O-CG 3.23Å; W287-L290 PolarHBondContact O-N 2.97Å; W287-L290 VanDerWaalsContact O-N 3.16Å; L290-F295 HydrophobicContact CB-CB 4.32Å; L290-F295 HydrophobicContact CB-CD2 4.06Å; L290-F295 HydrophobicContact CB-CG 4.41Å; L290-F295 HydrophobicContact CD1-CB 4.38Å; L290-F295 HydrophobicContact CD1-CD1 4.42Å; L290-F295 HydrophobicContact CD1-CD2 4.13Å; L290-F295 HydrophobicContact CD1-CG 4.05Å; L290-F295 HydrophobicContact CD2-CD2 4.2Å; L290-F295 HydrophobicContact CD2-CE2 4.19Å; L290-F295 HydrophobicContact CG-CD2 4.35Å; L290-A298 HydrophobicContact CB-CB 4.39Å
291	D	85.7	Confident	84.4	Confident	94 Å²	94	84.2 Å²	84.2	50%	0.503	39%	0.391	S	S	.	.			trans	-73.2	127.5	174.2	-172.4	8.4	0	0	0	110	R293 E294 F295	D291-R293 PolarHBondContact O-N 3.25Å; D291-R293 PolarHBondContact OD1-N 3.02Å; D291-E294 PolarHBondContact O-N 3.02Å; D291-F295 PolarHBondContact O-N 2.95Å
292	E	84.2	Confident	84	Confident	83 Å²	83	83.7 Å²	83.7	39%	0.388	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-23.4	-177.7	-173.2	169.6	-162.5	0	0	112.4	F295 N300	E292-F295 CarbonylContact O-C 3.44Å; E292-N300 PolarHBondContact OE1-ND2 3.46Å; E292-N300 PolarHBondContact OE2-ND2 3.45Å
293	R	83.6	Confident	83.9	Confident	235 Å²	235	79.6 Å²	79.6	89%	0.887	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-34.7	175.6	-65.8	-179.5	175.2	-177	-0.4	112.7	D291	D291-R293 PolarHBondContact O-N 3.25Å; D291-R293 PolarHBondContact OD1-N 3.02Å
294	E	83.8	Confident	83.9	Confident	122 Å²	122	81.6 Å²	81.6	57%	0.57	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-37.3	179.7	-168.9	178.1	-174.4	0	0	111.2	D291	D291-E294 PolarHBondContact O-N 3.02Å
295	F	85.9	Confident	84.1	Confident	6 Å²	6	79.8 Å²	79.8	3%	0.026	38%	0.376	C	S	.	.	S	Bend	trans	-123.1	87.7	179.9	-63.1	-86.2	0	0	0	110.6	R52 F53 L290 D291 E292 A298	R52-F295 HydrophobicContact CB-CE1 3.91Å; F53-F295 HydrophobicContact CB-CD1 4.36Å; F53-F295 HydrophobicContact CB-CE1 3.9Å; L290-F295 HydrophobicContact CB-CB 4.32Å; L290-F295 HydrophobicContact CB-CD2 4.06Å; L290-F295 HydrophobicContact CB-CG 4.41Å; L290-F295 HydrophobicContact CD1-CB 4.38Å; L290-F295 HydrophobicContact CD1-CD1 4.42Å; L290-F295 HydrophobicContact CD1-CD2 4.13Å; L290-F295 HydrophobicContact CD1-CG 4.05Å; L290-F295 HydrophobicContact CD2-CD2 4.2Å; L290-F295 HydrophobicContact CD2-CE2 4.19Å; L290-F295 HydrophobicContact CG-CD2 4.35Å; D291-F295 PolarHBondContact O-N 2.95Å; E292-F295 CarbonylContact O-C 3.44Å; F295-A298 HydrophobicContact CB-CB 4Å; F295-A298 VanDerWaalsContact O-CB 3.27Å; F295-A298 WeakPolarHBondContact O-CB 3.28Å; F295-A298 PolarHBondContact O-N 2.97Å
296	P	84.7	Confident	84.2	Confident	53 Å²	53	75.4 Å²	75.4	34%	0.344	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	146.9	176.7	24.1	-33.9	0	0	0	111.6	V45 S49 A298	V45-P296 HydrophobicContact CG1-CB 3.79Å; V45-P296 HydrophobicContact CG1-CG 3.53Å; S49-P296 WeakPolarHBondContact OG-CD 3.39Å; S49-P296 PolarHBondContact OG-O 2.9Å; S49-P296 VanDerWaalsContact OG-O 3.06Å; P296-A298 PolarHBondContact O-N 3.34Å
297	E	82	Confident	84.4	Confident	70 Å²	70	69 Å²	69	33%	0.327	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	62	17.4	-177.8	-60.4	-178.4	-164.4	0	0	115.5	Q46 K304	Q46-E297 HydrophobicContact CB-CB 4.09Å; Q46-E297 HydrophobicContact CG-CB 4.12Å; Q46-E297 PolarHBondContact NE2-O 2.98Å; E297-K304 IonicContact OE2-NZ 2.75Å
298	A	78.6	Confident	84.6	Confident	1 Å²	1	68.8 Å²	68.8	1%	0.008	33%	0.331	C	S	.	.	S	Bend	trans	-79.3	-36.8	177.6	0	0	0	0	0	114	W287 L290 F295 P296	W287-A298 HydrophobicContact CD2-CB 4.31Å; W287-A298 HydrophobicContact CH2-CB 4.42Å; W287-A298 HydrophobicContact CZ2-CB 3.89Å; W287-A298 PolarHBondContact NE1-O 2.9Å; L290-A298 HydrophobicContact CB-CB 4.39Å; F295-A298 HydrophobicContact CB-CB 4Å; F295-A298 VanDerWaalsContact O-CB 3.27Å; F295-A298 WeakPolarHBondContact O-CB 3.28Å; F295-A298 PolarHBondContact O-N 2.97Å; P296-A298 PolarHBondContact O-N 3.34Å
299	K	76.3	Confident	85	Confident	129 Å²	129	65.5 Å²	65.5	56%	0.561	31%	0.312	S	S	*	.	S	Bend	trans	-100.3	-37.9	-172.9	-168.2	178	-179.3	-177.8	0	114.4
300	N	72.4	Confident	85.4	Confident	121 Å²	121	56 Å²	56	65%	0.647	28%	0.276	S	S	*	.	S	Bend	trans	-96.7	0.3	-168.1	-66.7	-27.1	0	0	0	114.2	E292	E292-N300 PolarHBondContact OE1-ND2 3.46Å; E292-N300 PolarHBondContact OE2-ND2 3.45Å
301	A	74.4	Confident	85.7	Confident	35 Å²	35	55.5 Å²	55.5	29%	0.289	27%	0.272	S	S	.	.	S	Bend	trans	-133.6	146.6	-178.9	0	0	0	0	0	111.1
302	P	81.8	Confident	86.1	Confident	83 Å²	83	51 Å²	51	54%	0.539	25%	0.248	S	C	.	.			trans	-62	152.1	170.2	28	-33.7	0	0	0	110.5	Q46 K304	Q46-P302 PolarHBondContact NE2-O 3.4Å; P302-K304 PolarHBondContact O-N 2.9Å
303	L	86	Confident	86.6	Confident	27 Å²	27	47 Å²	47	14%	0.141	23%	0.23	C	C	.	.			trans	-70.7	113.5	178.6	-178.2	70.9	0	0	0	109.7	F283 I284 W287 M366	F283-L303 HydrophobicContact CD1-CD2 3.97Å; F283-L303 HydrophobicContact CE1-CD1 4.13Å; F283-L303 HydrophobicContact CE1-CD2 3.81Å; I284-L303 HydrophobicContact CG1-CD2 4.45Å; W287-L303 HydrophobicContact CD2-CD1 4.47Å; W287-L303 HydrophobicContact CZ2-CD1 4.39Å; L303-M366 HydrophobicContact CD2-SD 4.21Å
304	K	89.3	Confident	87.1	Confident	54 Å²	54	36 Å²	36	24%	0.235	19%	0.189	C	C	.	.			trans	-63.3	146.7	176.3	-65.1	172.6	-169.5	178.4	0	111.1	Q46 D254 E297 P302 T306 S307 A308	Q46-K304 VanDerWaalsContact OE1-CB 3.25Å; D254-K304 WeakPolarHBondContact OD2-CA 3.38Å; E297-K304 IonicContact OE2-NZ 2.75Å; P302-K304 PolarHBondContact O-N 2.9Å; K304-T306 WeakPolarHBondContact CB-OG1 3.3Å; K304-T306 PolarHBondContact O-N 3.19Å; K304-S307 WeakPolarHBondContact O-CB 3.39Å; K304-S307 PolarHBondContact O-N 2.95Å; K304-A308 PolarHBondContact O-N 3.36Å; K304-A308 VanDerWaalsContact O-N 3.09Å
305	Y	91.1	Very high	87.5	Confident	16 Å²	16	32.8 Å²	32.8	6%	0.063	18%	0.175	C	C	.	.	H	α-helix	trans	-60.8	-29.3	173.2	80.2	-86.5	0	0	0	112.9	R142 N249 L250 D254 I272 A308 L309	R142-Y305 PolarHBondContact NH1-OH 3Å; N249-Y305 WeakPolarHBondContact OD1-CE1 3.25Å; N249-Y305 PolarHBondContact OD1-OH 2.9Å; L250-Y305 HydrophobicContact CB-CD1 4.49Å; L250-Y305 HydrophobicContact CB-CD2 3.82Å; L250-Y305 HydrophobicContact CB-CE2 3.97Å; L250-Y305 HydrophobicContact CB-CG 4.09Å; L250-Y305 HydrophobicContact CD1-CD2 4.33Å; L250-Y305 HydrophobicContact CD1-CE2 4.11Å; D254-Y305 PolarHBondContact OD2-N 3.26Å; I272-Y305 HydrophobicContact CG2-CD2 4.44Å; Y305-A308 PolarHBondContact O-N 3.44Å; Y305-L309 HydrophobicContact CD2-CD1 3.81Å; Y305-L309 HydrophobicContact CE2-CD1 4.06Å; Y305-L309 WeakPolarHBondContact O-CG 3.47Å; Y305-L309 PolarHBondContact O-N 3.18Å
306	T	91.9	Very high	87.9	Confident	14 Å²	14	32.5 Å²	32.5	9%	0.086	17%	0.174	C	C	.	.	H	α-helix	trans	-64.5	-39.2	173.7	46.4	0	0	0	0	112	E47 K304 L309 T310	E47-T306 WeakPolarHBondContact OE1-CB 3.41Å; E47-T306 PolarHBondContact OE1-OG1 2.95Å; K304-T306 WeakPolarHBondContact CB-OG1 3.3Å; K304-T306 PolarHBondContact O-N 3.19Å; T306-L309 PolarHBondContact O-N 3.32Å; T306-T310 WeakPolarHBondContact O-CB 3.49Å; T306-T310 PolarHBondContact O-N 3.03Å; T306-T310 PolarHBondContact O-OG1 2.93Å
307	S	91.9	Very high	88.4	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-66.1	-40.3	173.4	-59.3	0	0	0	0	111.2	Q46 K304 T310 H311	Q46-S307 PolarHBondContact OE1-OG 2.82Å; K304-S307 WeakPolarHBondContact O-CB 3.39Å; K304-S307 PolarHBondContact O-N 2.95Å; S307-T310 WeakPolarHBondContact O-CB 3.37Å; S307-T310 PolarHBondContact O-N 2.97Å; S307-H311 PolarHBondContact O-N 2.96Å; S307-H311 VanDerWaalsContact O-N 3.08Å
308	A	92.7	Very high	88.8	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-63.7	-43.2	173.9	0	0	0	0	0	112.3	V273 K304 Y305 T310 H311 D312 M366 T367	V273-A308 HydrophobicContact CG2-CB 3.59Å; K304-A308 PolarHBondContact O-N 3.36Å; K304-A308 VanDerWaalsContact O-N 3.09Å; Y305-A308 PolarHBondContact O-N 3.44Å; A308-T310 VanDerWaalsContact C-N 3.27Å; A308-T310 PolarHBondContact O-N 3.12Å; A308-H311 PolarHBondContact O-N 3.26Å; A308-D312 PolarHBondContact O-N 3.24Å; A308-M366 HydrophobicContact CB-CB 4.29Å; A308-M366 HydrophobicContact CB-SD 4.44Å; A308-T367 HydrophobicContact CB-CG2 4.46Å
309	L	94.8	Very high	89.4	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-62.3	-34.4	173.6	-71.8	169.8	0	0	0	112.4	P127 M141 R142 Y305 T306 D312 A313 T367	P127-L309 HydrophobicContact CB-CB 3.74Å; P127-L309 HydrophobicContact CB-CD1 4.3Å; M141-L309 HydrophobicContact CB-CB 4.37Å; M141-L309 HydrophobicContact CB-CD2 4.02Å; M141-L309 WeakPolarHBondContact O-CD2 3.45Å; R142-L309 HydrophobicContact CB-CD1 4.16Å; R142-L309 HydrophobicContact CG-CD1 4.29Å; Y305-L309 HydrophobicContact CD2-CD1 3.81Å; Y305-L309 HydrophobicContact CE2-CD1 4.06Å; Y305-L309 WeakPolarHBondContact O-CG 3.47Å; Y305-L309 PolarHBondContact O-N 3.18Å; T306-L309 PolarHBondContact O-N 3.32Å; L309-D312 PolarHBondContact O-N 3.41Å; L309-A313 WeakPolarHBondContact O-CB 3.47Å; L309-A313 PolarHBondContact O-N 3.41Å; L309-T367 HydrophobicContact CD2-CG2 3.77Å; L309-T367 HydrophobicContact CG-CG2 4.22Å
310	T	94.8	Very high	90.2	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-66.4	-43.2	177.4	-61.8	0	0	0	0	111.6	F51 F102 T306 S307 A308 A313 I314	F51-T310 HydrophobicContact CB-CG2 3.66Å; F51-T310 HydrophobicContact CD2-CG2 4.31Å; F102-T310 HydrophobicContact CE1-CG2 3.7Å; F102-T310 HydrophobicContact CE2-CG2 4.32Å; F102-T310 HydrophobicContact CZ-CG2 3.43Å; F102-T310 VanDerWaalsContact CZ-CG2 3.43Å; T306-T310 WeakPolarHBondContact O-CB 3.49Å; T306-T310 PolarHBondContact O-N 3.03Å; T306-T310 PolarHBondContact O-OG1 2.93Å; S307-T310 WeakPolarHBondContact O-CB 3.37Å; S307-T310 PolarHBondContact O-N 2.97Å; A308-T310 VanDerWaalsContact C-N 3.27Å; A308-T310 PolarHBondContact O-N 3.12Å; T310-A313 WeakPolarHBondContact O-CB 3.45Å; T310-A313 PolarHBondContact O-N 2.97Å; T310-I314 PolarHBondContact O-N 3.06Å
311	H	93.3	Very high	91.1	Very high	22 Å²	22	16.9 Å²	16.9	10%	0.102	9%	0.094	C	C	.	.	H	α-helix	trans	-61.9	-47.3	172.4	167.3	-83.8	0	0	0	111.6	A54 F283 S307 A308 A313 I314 L315 M366	A54-H311 HydrophobicContact CB-CB 4.28Å; F283-H311 AromaticContact CD2-CD2 3.98Å; F283-H311 AromaticContact CD2-NE2 3.96Å; F283-H311 AromaticContact CE2-CD2 3.42Å; F283-H311 VanDerWaalsContact CE2-CD2 3.42Å; F283-H311 WeakPolarHBondContact CE2-CD2 3.29Å; F283-H311 AromaticContact CE2-NE2 3.87Å; S307-H311 PolarHBondContact O-N 2.96Å; S307-H311 VanDerWaalsContact O-N 3.08Å; A308-H311 PolarHBondContact O-N 3.26Å; H311-A313 PolarHBondContact O-N 2.92Å; H311-I314 PolarHBondContact O-N 3.4Å; H311-I314 VanDerWaalsContact O-N 3.17Å; H311-L315 PolarHBondContact O-N 3.42Å; H311-L315 VanDerWaalsContact O-N 3.1Å; H311-M366 HydrophobicContact CB-CE 3.29Å; H311-M366 WeakPolarHBondContact ND1-CE 3.5Å
312	D	94.6	Very high	91.8	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-61.9	-31.9	178.4	-75.5	-2.1	0	0	0	111.7	M141 A308 L309 L315 V316 G365 M366 T367 I370	M141-D312 HydrophobicContact CE-CB 3.82Å; A308-D312 PolarHBondContact O-N 3.24Å; L309-D312 PolarHBondContact O-N 3.41Å; D312-L315 WeakPolarHBondContact O-CB 2.96Å; D312-L315 PolarHBondContact O-N 2.95Å; D312-V316 WeakPolarHBondContact O-CG2 3.34Å; D312-V316 PolarHBondContact O-N 2.8Å; D312-G365 WeakPolarHBondContact OD1-CA 3.48Å; D312-M366 PolarHBondContact OD1-N 3.42Å; D312-M366 PolarHBondContact OD2-N 3.21Å; D312-T367 WeakPolarHBondContact OD2-CB 3.49Å; D312-T367 WeakPolarHBondContact OD2-CG2 3.27Å; D312-T367 PolarHBondContact OD2-N 2.87Å; D312-T367 PolarHBondContact OD2-OG1 2.89Å; D312-I370 HydrophobicContact CB-CD1 3.7Å
313	A	94.9	Very high	92.1	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-63.3	-43.3	175.2	0	0	0	0	0	112.1	F102 V125 M141 L309 T310 H311 L315 V316 I317	F102-A313 HydrophobicContact CD2-CB 3.76Å; F102-A313 HydrophobicContact CE2-CB 3.51Å; V125-A313 HydrophobicContact CG1-CB 3.9Å; M141-A313 HydrophobicContact CE-CB 4.28Å; M141-A313 HydrophobicContact CG-CB 3.94Å; M141-A313 HydrophobicContact SD-CB 4.17Å; L309-A313 WeakPolarHBondContact O-CB 3.47Å; L309-A313 PolarHBondContact O-N 3.41Å; T310-A313 WeakPolarHBondContact O-CB 3.45Å; T310-A313 PolarHBondContact O-N 2.97Å; H311-A313 PolarHBondContact O-N 2.92Å; A313-L315 VanDerWaalsContact C-N 3.33Å; A313-V316 PolarHBondContact O-N 3.33Å; A313-I317 VanDerWaalsContact O-CG1 3.28Å; A313-I317 WeakPolarHBondContact O-CG1 3.43Å; A313-I317 PolarHBondContact O-N 2.94Å
314	I	94	Very high	92.3	Very high	4 Å²	4	15.4 Å²	15.4	2%	0.021	7%	0.069	C	C	.	.	H	α-helix	trans	-65.7	-39.4	175.9	-62.7	-58.7	0	0	0	110.5	I36 F51 A54 V55 L71 T310 H311 V316 I317 A318	I36-I314 HydrophobicContact CD1-CD1 3.77Å; F51-I314 HydrophobicContact CD2-CD1 3.52Å; F51-I314 HydrophobicContact CD2-CG1 3.88Å; F51-I314 HydrophobicContact CE2-CD1 3.25Å; F51-I314 HydrophobicContact CE2-CG1 4.13Å; F51-I314 HydrophobicContact CZ-CD1 4.15Å; A54-I314 HydrophobicContact CB-CB 4.06Å; A54-I314 HydrophobicContact CB-CG1 4.14Å; A54-I314 HydrophobicContact CB-CG2 4.15Å; V55-I314 HydrophobicContact CG2-CD1 4.22Å; V55-I314 HydrophobicContact CG2-CG1 4.41Å; V55-I314 HydrophobicContact CG2-CG2 4.09Å; L71-I314 HydrophobicContact CD1-CG2 4.26Å; T310-I314 PolarHBondContact O-N 3.06Å; H311-I314 PolarHBondContact O-N 3.4Å; H311-I314 VanDerWaalsContact O-N 3.17Å; I314-V316 VanDerWaalsContact C-N 3.33Å; I314-V316 PolarHBondContact O-N 2.79Å; I314-I317 HydrophobicContact CD1-CD1 4.35Å; I314-I317 PolarHBondContact O-N 3.19Å; I314-A318 VanDerWaalsContact O-CB 3.31Å; I314-A318 WeakPolarHBondContact O-CB 3.47Å; I314-A318 PolarHBondContact O-N 2.96Å
315	L	92.7	Very high	92.1	Very high	54 Å²	54	17.3 Å²	17.3	28%	0.283	8%	0.075	S	C	.	.	H	α-helix	trans	-58.8	-45	174.4	-179.2	65.5	0	0	0	111.5	H311 D312 A313 A318 E319 V363	H311-L315 PolarHBondContact O-N 3.42Å; H311-L315 VanDerWaalsContact O-N 3.1Å; D312-L315 WeakPolarHBondContact O-CB 2.96Å; D312-L315 PolarHBondContact O-N 2.95Å; A313-L315 VanDerWaalsContact C-N 3.33Å; L315-A318 PolarHBondContact O-N 3.27Å; L315-E319 PolarHBondContact O-N 3.19Å; L315-V363 HydrophobicContact CD2-CG2 4.17Å; L315-V363 HydrophobicContact CG-CG2 4.32Å
316	V	94.7	Very high	91.9	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-63.2	-47	176.7	168.9	0	0	0	0	111.5	M141 D312 A313 I314 A318 E319 A320 L358 V361 V363 I370 F372	M141-V316 HydrophobicContact CE-CG2 4.05Å; M141-V316 HydrophobicContact SD-CG2 4.44Å; D312-V316 WeakPolarHBondContact O-CG2 3.34Å; D312-V316 PolarHBondContact O-N 2.8Å; A313-V316 PolarHBondContact O-N 3.33Å; I314-V316 VanDerWaalsContact C-N 3.33Å; I314-V316 PolarHBondContact O-N 2.79Å; V316-A318 VanDerWaalsContact C-N 3.31Å; V316-A318 PolarHBondContact O-N 3.44Å; V316-E319 PolarHBondContact O-N 2.91Å; V316-A320 WeakPolarHBondContact O-CB 3.4Å; V316-A320 PolarHBondContact O-N 3.5Å; V316-L358 HydrophobicContact CG1-CD2 4.06Å; V316-V361 HydrophobicContact CB-CG1 4.47Å; V316-V361 HydrophobicContact CG1-CB 4.22Å; V316-V361 HydrophobicContact CG1-CG1 4.21Å; V316-V361 HydrophobicContact CG1-CG2 4.29Å; V316-V361 HydrophobicContact CG2-CG1 4.29Å; V316-V363 HydrophobicContact CG2-CG2 4.09Å; V316-I370 HydrophobicContact CG2-CD1 4.4Å; V316-I370 HydrophobicContact CG2-CG2 3.96Å; V316-F372 HydrophobicContact CG1-CE2 3.86Å; V316-F372 HydrophobicContact CG1-CZ 4.22Å; V316-F372 HydrophobicContact CG2-CE2 4.25Å; V316-F372 HydrophobicContact CG2-CZ 4.3Å
317	I	93.6	Very high	91.6	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	12%	0.121	C	C	.	.	H	α-helix	trans	-59.2	-45.1	177.5	-69.1	167.1	0	0	0	110.5	I36 V125 A313 I314 A320 F321 L358	I36-I317 HydrophobicContact CG2-CG2 4.19Å; V125-I317 HydrophobicContact CB-CD1 4.29Å; V125-I317 HydrophobicContact CG2-CD1 4.03Å; V125-I317 HydrophobicContact CG2-CG1 4Å; A313-I317 VanDerWaalsContact O-CG1 3.28Å; A313-I317 WeakPolarHBondContact O-CG1 3.43Å; A313-I317 PolarHBondContact O-N 2.94Å; I314-I317 HydrophobicContact CD1-CD1 4.35Å; I314-I317 PolarHBondContact O-N 3.19Å; I317-A320 PolarHBondContact O-N 3.24Å; I317-F321 HydrophobicContact CG2-CD2 3.82Å; I317-F321 HydrophobicContact CG2-CE2 3.71Å; I317-F321 WeakPolarHBondContact O-CD2 3.28Å; I317-F321 PolarHBondContact O-N 3.4Å; I317-F321 VanDerWaalsContact O-N 3.16Å; I317-L358 HydrophobicContact CG1-CD2 4.27Å
318	A	91.6	Very high	91.1	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.008	16%	0.163	C	C	.	.	H	α-helix	trans	-63.5	-43.1	179	0	0	0	0	0	112.4	Y58 L71 I314 L315 V316 R322	Y58-A318 HydrophobicContact CD2-CB 3.88Å; Y58-A318 HydrophobicContact CE2-CB 3.68Å; L71-A318 HydrophobicContact CD1-CB 4.3Å; I314-A318 VanDerWaalsContact O-CB 3.31Å; I314-A318 WeakPolarHBondContact O-CB 3.47Å; I314-A318 PolarHBondContact O-N 2.96Å; L315-A318 PolarHBondContact O-N 3.27Å; V316-A318 VanDerWaalsContact C-N 3.31Å; V316-A318 PolarHBondContact O-N 3.44Å; A318-R322 WeakPolarHBondContact O-CB 3.27Å; A318-R322 PolarHBondContact O-N 3.11Å
319	E	91.5	Very high	90.7	Very high	42 Å²	42	42 Å²	42	20%	0.196	18%	0.176	C	C	.	.	H	α-helix	trans	-66.5	-39.8	176.7	-170.4	68.1	-119.5	0	0	111.9	L315 V316 F321 R322 Y323 R326 V361 V363	L315-E319 PolarHBondContact O-N 3.19Å; V316-E319 PolarHBondContact O-N 2.91Å; E319-F321 PolarHBondContact O-N 3.21Å; E319-R322 WeakPolarHBondContact O-CB 3.37Å; E319-R322 PolarHBondContact O-N 3.49Å; E319-R322 VanDerWaalsContact O-N 3.14Å; E319-R322 IonicContact OE1-NH1 3.41Å; E319-R322 PolarHBondContact OE1-NH1 3.02Å; E319-R322 IonicContact OE2-CZ 3.8Å; E319-R322 IonicContact OE2-NH1 2.57Å; E319-R322 PolarHBondContact OE2-NH1 2.97Å; E319-Y323 PolarHBondContact O-N 3.03Å; E319-R326 IonicContact OE1-NH1 3.9Å; E319-V361 HydrophobicContact CB-CG1 3.95Å; E319-V361 HydrophobicContact CB-CG2 4.35Å; E319-V361 HydrophobicContact CG-CG1 4.01Å; E319-V361 HydrophobicContact CG-CG2 4.48Å; E319-V363 HydrophobicContact CB-CG1 4.01Å; E319-V363 HydrophobicContact CG-CG1 3.71Å
320	A	92.5	Very high	89.9	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-59.6	-46.4	177.5	0	0	0	0	0	111.8	V316 I317 R322 Y323 L324 A357 L358 V361	V316-A320 WeakPolarHBondContact O-CB 3.4Å; V316-A320 PolarHBondContact O-N 3.5Å; I317-A320 PolarHBondContact O-N 3.24Å; A320-R322 VanDerWaalsContact C-N 3.34Å; A320-R322 PolarHBondContact O-N 3.19Å; A320-Y323 WeakPolarHBondContact O-CB 3.44Å; A320-Y323 PolarHBondContact O-N 3.34Å; A320-L324 WeakPolarHBondContact O-CG 3.35Å; A320-L324 PolarHBondContact O-N 3.23Å; A320-A357 HydrophobicContact CB-CB 4.29Å; A320-L358 HydrophobicContact CB-CB 4.49Å; A320-L358 HydrophobicContact CB-CD2 3.58Å; A320-L358 HydrophobicContact CB-CG 3.89Å; A320-V361 HydrophobicContact CB-CG2 3.76Å
321	F	90.8	Very high	89.3	Confident	1 Å²	1	44.1 Å²	44.1	0%	0.004	19%	0.187	C	C	.	.	H	α-helix	trans	-70.3	-30	176	-74.7	-63.8	0	0	0	113	F30 I34 F69 I317 E319 L324 R325 I354	F30-F321 HydrophobicContact CZ-CB 4.43Å; F30-F321 HydrophobicContact CZ-CD1 4.49Å; F30-F321 WeakPolarHBondContact CZ-O 3.44Å; I34-F321 HydrophobicContact CD1-CB 3.54Å; I34-F321 HydrophobicContact CD1-CD1 3.66Å; I34-F321 HydrophobicContact CD1-CD2 3.96Å; I34-F321 HydrophobicContact CD1-CE1 4.36Å; I34-F321 HydrophobicContact CD1-CG 3.44Å; I34-F321 VanDerWaalsContact CD1-CG 3.44Å; I34-F321 HydrophobicContact CG2-CD2 4.05Å; I34-F321 HydrophobicContact CG2-CE1 4.35Å; I34-F321 HydrophobicContact CG2-CE2 3.84Å; I34-F321 HydrophobicContact CG2-CG 4.43Å; I34-F321 HydrophobicContact CG2-CZ 4.02Å; F69-F321 HydrophobicContact CE1-CB 3.66Å; F69-F321 HydrophobicContact CE2-CB 4.19Å; F69-F321 HydrophobicContact CZ-CB 3.4Å; F69-F321 VanDerWaalsContact CZ-CB 3.4Å; I317-F321 HydrophobicContact CG2-CD2 3.82Å; I317-F321 HydrophobicContact CG2-CE2 3.71Å; I317-F321 WeakPolarHBondContact O-CD2 3.28Å; I317-F321 PolarHBondContact O-N 3.4Å; I317-F321 VanDerWaalsContact O-N 3.16Å; E319-F321 PolarHBondContact O-N 3.21Å; F321-L324 HydrophobicContact CD1-CD1 3.89Å; F321-L324 HydrophobicContact CE1-CD1 4.21Å; F321-L324 PolarHBondContact O-N 3.22Å; F321-R325 PolarHBondContact O-N 2.87Å; F321-I354 HydrophobicContact CE1-CD1 4.1Å; F321-I354 HydrophobicContact CE1-CG1 4.13Å; F321-I354 HydrophobicContact CE1-CG2 4.44Å; F321-I354 HydrophobicContact CZ-CD1 4.43Å; F321-I354 HydrophobicContact CZ-CG2 4.19Å
322	R	88.7	Confident	88.6	Confident	24 Å²	24	44.7 Å²	44.7	9%	0.091	19%	0.193	C	C	.	.	H	α-helix	trans	-63.2	-43.1	171	-171.6	-178.1	-61.6	116.3	-1.1	110.9	E66 P68 A318 E319 A320 R325 R326	E66-R322 PolarHBondContact O-NE 3.15Å; E66-R322 PolarHBondContact O-NH2 3.13Å; P68-R322 HydrophobicContact CG-CG 4.25Å; A318-R322 WeakPolarHBondContact O-CB 3.27Å; A318-R322 PolarHBondContact O-N 3.11Å; E319-R322 WeakPolarHBondContact O-CB 3.37Å; E319-R322 PolarHBondContact O-N 3.49Å; E319-R322 VanDerWaalsContact O-N 3.14Å; E319-R322 IonicContact OE1-NH1 3.41Å; E319-R322 PolarHBondContact OE1-NH1 3.02Å; E319-R322 IonicContact OE2-CZ 3.8Å; E319-R322 IonicContact OE2-NH1 2.57Å; E319-R322 PolarHBondContact OE2-NH1 2.97Å; A320-R322 VanDerWaalsContact C-N 3.34Å; A320-R322 PolarHBondContact O-N 3.19Å; R322-R325 PolarHBondContact O-N 2.81Å; R322-R326 WeakPolarHBondContact O-CG 3.38Å; R322-R326 PolarHBondContact O-N 2.86Å; R322-R326 VanDerWaalsContact O-N 3.08Å
323	Y	89.4	Confident	87.6	Confident	86 Å²	86	47.3 Å²	47.3	34%	0.337	20%	0.204	S	C	.	.	H	α-helix	trans	-62	-48.2	175.3	178.1	-96.5	0	0	0	111.8	E319 A320 R325 R326 Q327 A357 M360	E319-Y323 PolarHBondContact O-N 3.03Å; A320-Y323 WeakPolarHBondContact O-CB 3.44Å; A320-Y323 PolarHBondContact O-N 3.34Å; Y323-R325 VanDerWaalsContact C-N 3.3Å; Y323-R325 PolarHBondContact O-N 2.89Å; Y323-R326 WeakPolarHBondContact O-CB 3.29Å; Y323-R326 PolarHBondContact O-N 3.05Å; Y323-R326 VanDerWaalsContact O-N 3.09Å; Y323-Q327 HydrophobicContact CD1-CG 4.22Å; Y323-Q327 HydrophobicContact CE1-CG 3.77Å; Y323-Q327 HydrophobicContact CE2-CG 4.17Å; Y323-Q327 WeakPolarHBondContact O-CG 3.44Å; Y323-Q327 PolarHBondContact O-N 2.87Å; Y323-A357 HydrophobicContact CD1-CB 4.14Å; Y323-M360 HydrophobicContact CE1-SD 4.32Å
324	L	88.8	Confident	86.2	Confident	5 Å²	5	57.7 Å²	57.7	3%	0.026	24%	0.243	C	C	.	.	H	α-helix	trans	-58.3	-40.9	177.9	-74.8	165.7	0	0	0	112.7	F30 A320 F321 Q327 R328 V329 V331 D353 I354 A357	F30-L324 HydrophobicContact CE2-CB 4.24Å; A320-L324 WeakPolarHBondContact O-CG 3.35Å; A320-L324 PolarHBondContact O-N 3.23Å; F321-L324 HydrophobicContact CD1-CD1 3.89Å; F321-L324 HydrophobicContact CE1-CD1 4.21Å; F321-L324 PolarHBondContact O-N 3.22Å; L324-Q327 CarbonylContact O-C 3.6Å; L324-Q327 PolarHBondContact O-N 2.98Å; L324-R328 PolarHBondContact O-N 3.32Å; L324-R328 VanDerWaalsContact O-N 3.16Å; L324-V329 HydrophobicContact CD2-CB 4.03Å; L324-V329 HydrophobicContact CD2-CG1 4.16Å; L324-V329 HydrophobicContact CD2-CG2 4.22Å; L324-V329 PolarHBondContact O-N 3.45Å; L324-V329 VanDerWaalsContact O-N 3.09Å; L324-V331 HydrophobicContact CD1-CG1 4.08Å; L324-D353 HydrophobicContact CD2-CB 4.48Å; L324-I354 HydrophobicContact CD1-CG1 3.88Å; L324-A357 HydrophobicContact CD1-CB 3.83Å; L324-A357 HydrophobicContact CD2-CB 3.86Å; L324-A357 HydrophobicContact CG-CB 3.6Å
325	R	86.1	Confident	84.9	Confident	93 Å²	93	59.9 Å²	59.9	35%	0.351	27%	0.266	S	S	.	.	H	α-helix	trans	-65.4	-41	175.1	-175.3	176.1	171	154	-14.4	112.5	F30 P68 F321 R322 Y323 Q327 R328	F30-R325 HydrophobicContact CB-CG 4.34Å; F30-R325 HydrophobicContact CD1-CB 4.17Å; F30-R325 HydrophobicContact CD1-CG 4.06Å; F30-R325 HydrophobicContact CD2-CB 3.86Å; F30-R325 HydrophobicContact CD2-CG 4.15Å; F30-R325 HydrophobicContact CE1-CB 4.07Å; F30-R325 HydrophobicContact CE1-CG 4.41Å; F30-R325 HydrophobicContact CE2-CB 3.74Å; F30-R325 HydrophobicContact CE2-CG 4.49Å; F30-R325 HydrophobicContact CG-CB 4.07Å; F30-R325 HydrophobicContact CG-CG 3.91Å; F30-R325 HydrophobicContact CZ-CB 3.85Å; P68-R325 VanDerWaalsContact CB-CZ 3.48Å; P68-R325 PolarHBondContact O-NH1 2.75Å; F321-R325 PolarHBondContact O-N 2.87Å; R322-R325 PolarHBondContact O-N 2.81Å; Y323-R325 VanDerWaalsContact C-N 3.3Å; Y323-R325 PolarHBondContact O-N 2.89Å; R325-Q327 VanDerWaalsContact C-N 3.3Å; R325-Q327 PolarHBondContact O-N 3.29Å; R325-R328 PolarHBondContact O-N 3.35Å
326	R	86.6	Confident	83.7	Confident	165 Å²	165	62.4 Å²	62.4	62%	0.623	29%	0.288	S	S	*	.	H	α-helix	trans	-61.6	-39.8	176.1	-75	175.7	177.6	162.1	0.7	111.4	E319 R322 Y323 R328	E319-R326 IonicContact OE1-NH1 3.9Å; R322-R326 WeakPolarHBondContact O-CG 3.38Å; R322-R326 PolarHBondContact O-N 2.86Å; R322-R326 VanDerWaalsContact O-N 3.08Å; Y323-R326 WeakPolarHBondContact O-CB 3.29Å; Y323-R326 PolarHBondContact O-N 3.05Å; Y323-R326 VanDerWaalsContact O-N 3.09Å; R326-R328 PolarHBondContact O-N 3.07Å
327	Q	85.4	Confident	82.5	Confident	108 Å²	108	63.3 Å²	63.3	51%	0.505	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-2.5	175.3	-64.8	-63	-18.3	0	0	113.7	Y323 L324 R325 V329	Y323-Q327 HydrophobicContact CD1-CG 4.22Å; Y323-Q327 HydrophobicContact CE1-CG 3.77Å; Y323-Q327 HydrophobicContact CE2-CG 4.17Å; Y323-Q327 WeakPolarHBondContact O-CG 3.44Å; Y323-Q327 PolarHBondContact O-N 2.87Å; L324-Q327 CarbonylContact O-C 3.6Å; L324-Q327 PolarHBondContact O-N 2.98Å; R325-Q327 VanDerWaalsContact C-N 3.3Å; R325-Q327 PolarHBondContact O-N 3.29Å; Q327-V329 HydrophobicContact CB-CG2 3.9Å; Q327-V329 PolarHBondContact O-N 3.47Å
328	R	82.2	Confident	81.7	Confident	232 Å²	232	65.2 Å²	65.2	88%	0.875	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	33.9	-177.4	-56	-177.7	-179.8	179.4	-0.1	113.3	L324 R325 R326	L324-R328 PolarHBondContact O-N 3.32Å; L324-R328 VanDerWaalsContact O-N 3.16Å; R325-R328 PolarHBondContact O-N 3.35Å; R326-R328 PolarHBondContact O-N 3.07Å
329	V	83.1	Confident	81.2	Confident	44 Å²	44	69.8 Å²	69.8	27%	0.267	34%	0.339	S	S	.	.			trans	-76.7	125.5	174.4	-179.8	0	0	0	0	109	L324 Q327 V331 D353	L324-V329 HydrophobicContact CD2-CB 4.03Å; L324-V329 HydrophobicContact CD2-CG1 4.16Å; L324-V329 HydrophobicContact CD2-CG2 4.22Å; L324-V329 PolarHBondContact O-N 3.45Å; L324-V329 VanDerWaalsContact O-N 3.09Å; Q327-V329 HydrophobicContact CB-CG2 3.9Å; Q327-V329 PolarHBondContact O-N 3.47Å; V329-V331 HydrophobicContact CG1-CG1 4.49Å; V329-V331 PolarHBondContact O-N 3.39Å; V329-D353 HydrophobicContact CG1-CB 4.44Å
330	D	79.6	Confident	80.9	Confident	45 Å²	45	68.1 Å²	68.1	24%	0.241	33%	0.333	C	S	.	.			trans	-76.8	104.8	175.8	-175	10.5	0	0	0	109.7	S332 R334	D330-S332 WeakPolarHBondContact OD1-CB 3.25Å; D330-S332 PolarHBondContact OD1-N 3.38Å; D330-S332 PolarHBondContact OD1-OG 2.91Å; D330-S332 PolarHBondContact OD2-OG 3.08Å; D330-R334 IonicContact OD2-NH2 2.67Å; D330-R334 PolarHBondContact OD2-NH2 3.42Å
331	V	81.4	Confident	80.6	Confident	0 Å²	0	74 Å²	74	0%	0	36%	0.363	C	S	.	.			trans	-92.7	-2.3	174.9	-64.1	0	0	0	0	112.5	F30 P31 Y99 L324 V329 R333 I354	F30-V331 HydrophobicContact CD2-CG2 3.98Å; F30-V331 HydrophobicContact CE2-CG2 3.61Å; F30-V331 HydrophobicContact CZ-CG2 4.09Å; P31-V331 HydrophobicContact CG-CG2 3.81Å; Y99-V331 WeakPolarHBondContact CE1-O 3.42Å; L324-V331 HydrophobicContact CD1-CG1 4.08Å; V329-V331 HydrophobicContact CG1-CG1 4.49Å; V329-V331 PolarHBondContact O-N 3.39Å; V331-R333 PolarHBondContact O-N 3.39Å; V331-I354 HydrophobicContact CG1-CG1 4.42Å
332	S	78.1	Confident	80.2	Confident	33 Å²	33	76.1 Å²	76.1	23%	0.231	38%	0.381	C	S	.	.			trans	-62.9	128.6	-173.6	68.4	0	0	0	0	111.7	D330 R334	D330-S332 WeakPolarHBondContact OD1-CB 3.25Å; D330-S332 PolarHBondContact OD1-N 3.38Å; D330-S332 PolarHBondContact OD1-OG 2.91Å; D330-S332 PolarHBondContact OD2-OG 3.08Å; S332-R334 PolarHBondContact O-N 2.95Å
333	R	73.4	Confident	79.9	Confident	56 Å²	56	82.7 Å²	82.7	21%	0.211	42%	0.418	C	S	.	.			trans	-81.1	112.6	179.2	-155.7	172.9	-171.6	157.7	1.5	109.4	V331 G335 A337	V331-R333 PolarHBondContact O-N 3.39Å; R333-G335 PolarHBondContact O-N 3.24Å; R333-A337 VanDerWaalsContact NH2-CA 3.28Å
334	R	65.4	Low	79.3	Confident	218 Å²	218	84 Å²	84	82%	0.823	44%	0.437	S	S	*	.	S	Bend	trans	-82	64.2	178	-60.1	-176.9	-172.7	-176.5	3	110.9	D330 S332	D330-R334 IonicContact OD2-NH2 2.67Å; D330-R334 PolarHBondContact OD2-NH2 3.42Å; S332-R334 PolarHBondContact O-N 2.95Å
335	G	66.6	Low	78.7	Confident	49 Å²	49	85.3 Å²	85.3	51%	0.505	45%	0.448	S	S	.	.	S	Bend	trans	136.8	172.3	177.5	0	0	0	0	0	114.6	R333	R333-G335 PolarHBondContact O-N 3.24Å
336	S	69.1	Low	78.4	Confident	108 Å²	108	86.5 Å²	86.5	76%	0.755	47%	0.466	S	S	*	.			trans	-69.2	145.9	169.1	178.8	0	0	0	0	109.9	G338	S336-G338 PolarHBondContact O-N 3.05Å; S336-G338 VanDerWaalsContact O-N 3.15Å
337	A	69.6	Low	78.1	Confident	19 Å²	19	81.2 Å²	81.2	16%	0.157	45%	0.453	C	S	.	.			trans	-60.4	-21.8	-177.2	0	0	0	0	0	115	F94 R333	F94-A337 HydrophobicContact CD1-CB 4.06Å; F94-A337 HydrophobicContact CE1-CB 3.93Å; F94-A337 WeakPolarHBondContact CE1-O 3.38Å; F94-A337 HydrophobicContact CZ-CB 4.31Å; F94-A337 WeakPolarHBondContact O-CB 3.34Å; R333-A337 VanDerWaalsContact NH2-CA 3.28Å
338	G	75.6	Confident	77.9	Confident	40 Å²	40	76.6 Å²	76.6	41%	0.412	43%	0.431	S	S	.	.			trans	77.7	-170.6	-168.9	0	0	0	0	0	112.4	S336	S336-G338 PolarHBondContact O-N 3.05Å; S336-G338 VanDerWaalsContact O-N 3.15Å
339	D	82.1	Confident	77.7	Confident	97 Å²	97	69 Å²	69	52%	0.519	41%	0.414	S	S	.	.			trans	-81.9	142.5	175.8	-168.1	0.6	0	0	0	110.6	L341 A342	D339-L341 PolarHBondContact O-N 2.99Å; D339-L341 PolarHBondContact OD1-N 3.22Å; D339-A342 WeakPolarHBondContact O-CB 3.37Å; D339-A342 PolarHBondContact O-N 2.89Å
340	C	84.7	Confident	77.7	Confident	8 Å²	8	69.6 Å²	69.6	5%	0.054	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-23.5	175.2	65.7	0	0	0	0	112.1	C91 F94 L120	C91-C340 HydrophobicContact CB-CB 3.78Å; C91-C340 WeakPolarHBondContact CB-SG 3.4Å; C91-C340 WeakPolarHBondContact SG-CB 3.19Å; C91-C340 CovalentContact SG-SG 2.01Å; C91-C340 PolarHBondContact SG-SG 2.88Å; F94-C340 HydrophobicContact CD1-CB 4.22Å; L120-C340 HydrophobicContact CD1-CB 4.17Å
341	L	86	Confident	78	Confident	123 Å²	123	67.4 Å²	67.4	64%	0.644	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	13.8	178.7	-60.3	178.7	0	0	0	113.3	D339 N343	D339-L341 PolarHBondContact O-N 2.99Å; D339-L341 PolarHBondContact OD1-N 3.22Å; L341-N343 PolarHBondContact O-N 3.39Å
342	A	83.2	Confident	78.4	Confident	45 Å²	45	70.7 Å²	70.7	37%	0.372	42%	0.419	S	S	.	.			trans	-55.3	140.6	173.2	0	0	0	0	0	110.7	D339 P344 A345	D339-A342 WeakPolarHBondContact O-CB 3.37Å; D339-A342 PolarHBondContact O-N 2.89Å; A342-P344 CarbonylContact O-C 3.51Å; A342-A345 VanDerWaalsContact O-CA 3.27Å; A342-A345 WeakPolarHBondContact O-CA 3.48Å; A342-A345 WeakPolarHBondContact O-CB 3.38Å; A342-A345 PolarHBondContact O-N 3.33Å
343	N	81.5	Confident	79	Confident	163 Å²	163	71.6 Å²	71.6	87%	0.872	42%	0.421	S	S	*	.	S	Bend	trans	-127.8	107.3	-178.5	-171.6	9.4	0	0	0	111.1	L341	L341-N343 PolarHBondContact O-N 3.39Å
344	P	76.9	Confident	79.8	Confident	112 Å²	112	69 Å²	69	73%	0.727	41%	0.411	S	S	*	.	S	Bend	cis	-75.3	142.8	-3.5	30.9	-32.9	0	0	0	111.7	A342 V346	A342-P344 CarbonylContact O-C 3.51Å; P344-V346 PolarHBondContact O-N 3.47Å
345	A	76.7	Confident	81.1	Confident	33 Å²	33	59.2 Å²	59.2	27%	0.273	38%	0.375	S	S	.	.			trans	-67.7	131.1	175.2	0	0	0	0	0	109	L120 A342 P347	L120-A345 HydrophobicContact CD2-CB 3.64Å; A342-A345 VanDerWaalsContact O-CA 3.27Å; A342-A345 WeakPolarHBondContact O-CA 3.48Å; A342-A345 WeakPolarHBondContact O-CB 3.38Å; A342-A345 PolarHBondContact O-N 3.33Å; A345-P347 WeakPolarHBondContact O-CD 3.5Å
346	V	79.2	Confident	82.3	Confident	119 Å²	119	62.8 Å²	62.8	72%	0.721	37%	0.373	S	S	*	.			trans	-84.8	110.1	177.7	-179.3	0	0	0	0	107.9	P344	P344-V346 PolarHBondContact O-N 3.47Å
347	P	80.9	Confident	83.5	Confident	54 Å²	54	57.7 Å²	57.7	35%	0.351	34%	0.338	S	S	.	.			trans	-66.6	150	-179.5	-17.3	32.7	0	0	0	110.2	H121 A345 S349	H121-P347 HydrophobicContact CB-CB 4.27Å; H121-P347 WeakPolarHBondContact ND1-CB 3.49Å; A345-P347 WeakPolarHBondContact O-CD 3.5Å; P347-S349 PolarHBondContact O-N 3.45Å; P347-S349 VanDerWaalsContact O-N 3.13Å
348	W	79.9	Confident	84.6	Confident	10 Å²	10	56.9 Å²	56.9	4%	0.038	33%	0.331	C	S	.	.			trans	-73.9	110.6	178.1	-175.6	24.7	0	0	0	111	Y99 L120 H121 Q350 G351 I354	Y99-W348 AromaticContact CD1-CH2 3.52Å; Y99-W348 HydrophobicContact CD1-CH2 3.52Å; Y99-W348 AromaticContact CD1-CZ2 3.66Å; Y99-W348 HydrophobicContact CD1-CZ2 3.66Å; Y99-W348 HydrophobicContact CE1-CH2 4.45Å; Y99-W348 HydrophobicContact CE1-CZ2 4.18Å; Y99-W348 HydrophobicContact CG-CH2 4.08Å; Y99-W348 VanDerWaalsContact O-CZ3 3.23Å; Y99-W348 WeakPolarHBondContact O-CZ3 3.47Å; L120-W348 PolarHBondContact O-N 3.47Å; H121-W348 WeakPolarHBondContact CB-O 3.13Å; W348-Q350 VanDerWaalsContact C-N 3.31Å; W348-Q350 VanDerWaalsContact CD1-OE1 3.26Å; W348-Q350 HydrophobicContact CZ2-CB 4.32Å; W348-Q350 VanDerWaalsContact NE1-OE1 3.14Å; W348-Q350 PolarHBondContact O-N 3Å; W348-G351 PolarHBondContact O-N 3.49Å; W348-I354 HydrophobicContact CE3-CD1 4.5Å; W348-I354 HydrophobicContact CH2-CD1 3.02Å; W348-I354 HydrophobicContact CZ2-CD1 3.56Å; W348-I354 HydrophobicContact CZ3-CD1 3.58Å
349	S	78.4	Confident	85.4	Confident	74 Å²	74	56.8 Å²	56.8	52%	0.517	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-39.3	-176.3	42.6	0	0	0	0	113.7	P347 G351	P347-S349 PolarHBondContact O-N 3.45Å; P347-S349 VanDerWaalsContact O-N 3.13Å; S349-G351 VanDerWaalsContact C-N 3.28Å; S349-G351 PolarHBondContact O-N 3.36Å
350	Q	84.1	Confident	85.9	Confident	55 Å²	55	57.4 Å²	57.4	26%	0.257	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-9.6	179.9	-63.2	70.6	22.6	0	0	112.3	W348 I352 D353 I354	W348-Q350 VanDerWaalsContact C-N 3.31Å; W348-Q350 VanDerWaalsContact CD1-OE1 3.26Å; W348-Q350 HydrophobicContact CZ2-CB 4.32Å; W348-Q350 VanDerWaalsContact NE1-OE1 3.14Å; W348-Q350 PolarHBondContact O-N 3Å; Q350-I352 PolarHBondContact O-N 3.01Å; Q350-D353 PolarHBondContact O-N 3.45Å; Q350-I354 WeakPolarHBondContact O-CG1 3.44Å; Q350-I354 PolarHBondContact O-N 3.18Å; Q350-I354 VanDerWaalsContact O-N 3.13Å
351	G	86.3	Confident	86.3	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-60.7	-33.1	176.8	0	0	0	0	0	113.1	H121 W348 S349 I354 E355	H121-G351 WeakPolarHBondContact O-CA 3.47Å; W348-G351 PolarHBondContact O-N 3.49Å; S349-G351 VanDerWaalsContact C-N 3.28Å; S349-G351 PolarHBondContact O-N 3.36Å; G351-I354 PolarHBondContact O-N 3.11Å; G351-E355 PolarHBondContact O-N 3.2Å
352	I	89.4	Confident	86.7	Confident	69 Å²	69	57.8 Å²	57.8	35%	0.354	32%	0.318	S	S	.	.	H	α-helix	trans	-65.8	-41.3	176.5	-61.8	165.7	0	0	0	111	F137 Q350 I354 E355 R356	F137-I352 HydrophobicContact CE1-CG1 4.26Å; F137-I352 HydrophobicContact CZ-CG1 3.96Å; Q350-I352 PolarHBondContact O-N 3.01Å; I352-I354 VanDerWaalsContact C-N 3.32Å; I352-E355 PolarHBondContact O-N 3.49Å; I352-R356 WeakPolarHBondContact O-CB 3.49Å; I352-R356 PolarHBondContact O-N 3.39Å
353	D	90	Very high	87.2	Confident	52 Å²	52	56.5 Å²	56.5	28%	0.278	31%	0.306	S	S	.	.	H	α-helix	trans	-69.8	-33.8	178.6	-65.8	-44.4	0	0	0	111.4	L324 V329 Q350 R356 A357	L324-D353 HydrophobicContact CD2-CB 4.48Å; V329-D353 HydrophobicContact CG1-CB 4.44Å; Q350-D353 PolarHBondContact O-N 3.45Å; D353-R356 IonicContact OD1-CZ 3.57Å; D353-R356 IonicContact OD1-NH1 3.46Å; D353-R356 PolarHBondContact OD1-NH1 3.43Å; D353-R356 IonicContact OD1-NH2 3.02Å; D353-A357 WeakPolarHBondContact O-CB 3.32Å; D353-A357 PolarHBondContact O-N 3.14Å
354	I	91	Very high	87.6	Confident	1 Å²	1	54.8 Å²	54.8	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-67.8	-46	174.3	-66.9	165.6	0	0	0	111.3	F321 L324 V331 W348 Q350 G351 I352 R356 A357 L358	F321-I354 HydrophobicContact CE1-CD1 4.1Å; F321-I354 HydrophobicContact CE1-CG1 4.13Å; F321-I354 HydrophobicContact CE1-CG2 4.44Å; F321-I354 HydrophobicContact CZ-CD1 4.43Å; F321-I354 HydrophobicContact CZ-CG2 4.19Å; L324-I354 HydrophobicContact CD1-CG1 3.88Å; V331-I354 HydrophobicContact CG1-CG1 4.42Å; W348-I354 HydrophobicContact CE3-CD1 4.5Å; W348-I354 HydrophobicContact CH2-CD1 3.02Å; W348-I354 HydrophobicContact CZ2-CD1 3.56Å; W348-I354 HydrophobicContact CZ3-CD1 3.58Å; Q350-I354 WeakPolarHBondContact O-CG1 3.44Å; Q350-I354 PolarHBondContact O-N 3.18Å; Q350-I354 VanDerWaalsContact O-N 3.13Å; G351-I354 PolarHBondContact O-N 3.11Å; I352-I354 VanDerWaalsContact C-N 3.32Å; I354-R356 VanDerWaalsContact C-N 3.32Å; I354-R356 PolarHBondContact O-N 3.44Å; I354-A357 PolarHBondContact O-N 3.03Å; I354-L358 HydrophobicContact CG2-CD1 3.96Å; I354-L358 HydrophobicContact CG2-CG 4.46Å; I354-L358 WeakPolarHBondContact O-CG 3.3Å; I354-L358 PolarHBondContact O-N 2.92Å
355	E	92.6	Very high	88.2	Confident	13 Å²	13	49.4 Å²	49.4	6%	0.061	26%	0.258	C	S	.	.	H	α-helix	trans	-59.7	-45.4	175.3	-173.3	-165.8	-174.5	0	0	110.9	F137 G351 I352 A357 L358 K359	F137-E355 WeakPolarHBondContact CA-OE1 3.38Å; F137-E355 HydrophobicContact CD1-CB 3.99Å; F137-E355 HydrophobicContact CD1-CG 4.23Å; F137-E355 WeakPolarHBondContact CD1-OE2 3.35Å; F137-E355 HydrophobicContact CE1-CB 4.17Å; F137-E355 WeakPolarHBondContact CE1-OE2 3.01Å; F137-E355 PolarHBondContact N-OE1 2.96Å; G351-E355 PolarHBondContact O-N 3.2Å; I352-E355 PolarHBondContact O-N 3.49Å; E355-A357 VanDerWaalsContact C-N 3.32Å; E355-A357 PolarHBondContact O-N 3.46Å; E355-L358 PolarHBondContact O-N 3.28Å; E355-K359 HydrophobicContact CG-CD 4.35Å; E355-K359 WeakPolarHBondContact O-CG 3.35Å; E355-K359 PolarHBondContact O-N 3.02Å; E355-K359 WeakPolarHBondContact OE1-CE 3.35Å; E355-K359 IonicContact OE1-NZ 2.78Å; E355-K359 PolarHBondContact OE1-NZ 3.46Å
356	R	91.9	Very high	88.8	Confident	123 Å²	123	48 Å²	48	46%	0.464	25%	0.245	S	C	.	.	H	α-helix	trans	-59.2	-44.7	176.1	-171	-171.8	-60.2	128.3	5.9	111.2	I352 D353 I354 K359 M360	I352-R356 WeakPolarHBondContact O-CB 3.49Å; I352-R356 PolarHBondContact O-N 3.39Å; D353-R356 IonicContact OD1-CZ 3.57Å; D353-R356 IonicContact OD1-NH1 3.46Å; D353-R356 PolarHBondContact OD1-NH1 3.43Å; D353-R356 IonicContact OD1-NH2 3.02Å; I354-R356 VanDerWaalsContact C-N 3.32Å; I354-R356 PolarHBondContact O-N 3.44Å; R356-K359 PolarHBondContact O-N 2.89Å; R356-M360 HydrophobicContact CG-CE 3.68Å; R356-M360 HydrophobicContact CG-SD 4.16Å; R356-M360 VanDerWaalsContact O-CG 3.3Å; R356-M360 WeakPolarHBondContact O-CG 3.37Å; R356-M360 PolarHBondContact O-N 3.49Å; R356-M360 VanDerWaalsContact O-N 3.09Å
357	A	92.7	Very high	89.4	Confident	2 Å²	2	42.4 Å²	42.4	2%	0.017	21%	0.212	C	C	.	.	H	α-helix	trans	-62.9	-43.2	177.6	0	0	0	0	0	111.9	A320 Y323 L324 D353 I354 E355 K359 M360 V361	A320-A357 HydrophobicContact CB-CB 4.29Å; Y323-A357 HydrophobicContact CD1-CB 4.14Å; L324-A357 HydrophobicContact CD1-CB 3.83Å; L324-A357 HydrophobicContact CD2-CB 3.86Å; L324-A357 HydrophobicContact CG-CB 3.6Å; D353-A357 WeakPolarHBondContact O-CB 3.32Å; D353-A357 PolarHBondContact O-N 3.14Å; I354-A357 PolarHBondContact O-N 3.03Å; E355-A357 VanDerWaalsContact C-N 3.32Å; E355-A357 PolarHBondContact O-N 3.46Å; A357-K359 PolarHBondContact O-N 3.34Å; A357-M360 PolarHBondContact O-N 3.13Å; A357-V361 WeakPolarHBondContact O-CG2 3.37Å; A357-V361 PolarHBondContact O-N 3.05Å
358	L	93.4	Very high	89.9	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-60.3	-43.3	176.5	-75.1	164.5	0	0	0	112	V125 I139 V316 I317 A320 I354 E355 M360 V361	V125-L358 HydrophobicContact CG2-CD1 4.49Å; I139-L358 HydrophobicContact CD1-CB 4.21Å; I139-L358 HydrophobicContact CG1-CB 4.07Å; I139-L358 HydrophobicContact CG1-CD1 4.23Å; V316-L358 HydrophobicContact CG1-CD2 4.06Å; I317-L358 HydrophobicContact CG1-CD2 4.27Å; A320-L358 HydrophobicContact CB-CB 4.49Å; A320-L358 HydrophobicContact CB-CD2 3.58Å; A320-L358 HydrophobicContact CB-CG 3.89Å; I354-L358 HydrophobicContact CG2-CD1 3.96Å; I354-L358 HydrophobicContact CG2-CG 4.46Å; I354-L358 WeakPolarHBondContact O-CG 3.3Å; I354-L358 PolarHBondContact O-N 2.92Å; E355-L358 PolarHBondContact O-N 3.28Å; L358-M360 VanDerWaalsContact C-N 3.32Å; L358-M360 PolarHBondContact O-N 3.48Å; L358-V361 WeakPolarHBondContact O-CB 3.21Å; L358-V361 PolarHBondContact O-N 3.19Å
359	K	93.2	Very high	90.6	Very high	39 Å²	39	42.7 Å²	42.7	17%	0.17	22%	0.216	C	C	.	.	H	α-helix	trans	-68.5	-28	177.9	-69.1	176.6	-177.6	174.2	0	113.5	I139 E355 R356 A357 V361 T374	I139-K359 HydrophobicContact CD1-CG 3.86Å; E355-K359 HydrophobicContact CG-CD 4.35Å; E355-K359 WeakPolarHBondContact O-CG 3.35Å; E355-K359 PolarHBondContact O-N 3.02Å; E355-K359 WeakPolarHBondContact OE1-CE 3.35Å; E355-K359 IonicContact OE1-NZ 2.78Å; E355-K359 PolarHBondContact OE1-NZ 3.46Å; R356-K359 PolarHBondContact O-N 2.89Å; A357-K359 PolarHBondContact O-N 3.34Å; K359-V361 VanDerWaalsContact C-N 3.3Å; K359-T374 WeakPolarHBondContact CE-O 3.42Å; K359-T374 PolarHBondContact NZ-O 3.3Å
360	M	92.3	Very high	91.3	Very high	110 Å²	110	39.1 Å²	39.1	54%	0.542	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-7.3	177.3	-72.6	178.5	176.3	0	0	113.7	Y323 R356 A357 L358 Q362	Y323-M360 HydrophobicContact CE1-SD 4.32Å; R356-M360 HydrophobicContact CG-CE 3.68Å; R356-M360 HydrophobicContact CG-SD 4.16Å; R356-M360 VanDerWaalsContact O-CG 3.3Å; R356-M360 WeakPolarHBondContact O-CG 3.37Å; R356-M360 PolarHBondContact O-N 3.49Å; R356-M360 VanDerWaalsContact O-N 3.09Å; A357-M360 PolarHBondContact O-N 3.13Å; L358-M360 VanDerWaalsContact C-N 3.32Å; L358-M360 PolarHBondContact O-N 3.48Å; M360-Q362 PolarHBondContact O-N 3.31Å
361	V	93.8	Very high	91.8	Very high	7 Å²	7	38.3 Å²	38.3	4%	0.042	19%	0.188	C	C	.	.			trans	-66.9	126.3	-179.7	177.6	0	0	0	0	110.3	V316 E319 A320 A357 L358 K359 V363	V316-V361 HydrophobicContact CB-CG1 4.47Å; V316-V361 HydrophobicContact CG1-CB 4.22Å; V316-V361 HydrophobicContact CG1-CG1 4.21Å; V316-V361 HydrophobicContact CG1-CG2 4.29Å; V316-V361 HydrophobicContact CG2-CG1 4.29Å; E319-V361 HydrophobicContact CB-CG1 3.95Å; E319-V361 HydrophobicContact CB-CG2 4.35Å; E319-V361 HydrophobicContact CG-CG1 4.01Å; E319-V361 HydrophobicContact CG-CG2 4.48Å; A320-V361 HydrophobicContact CB-CG2 3.76Å; A357-V361 WeakPolarHBondContact O-CG2 3.37Å; A357-V361 PolarHBondContact O-N 3.05Å; L358-V361 WeakPolarHBondContact O-CB 3.21Å; L358-V361 PolarHBondContact O-N 3.19Å; K359-V361 VanDerWaalsContact C-N 3.3Å; V361-V363 HydrophobicContact CG1-CB 4.38Å; V361-V363 HydrophobicContact CG1-CG1 3.75Å; V361-V363 HydrophobicContact CG1-CG2 3.89Å
362	Q	93.9	Very high	92.1	Very high	131 Å²	131	39.3 Å²	39.3	61%	0.612	19%	0.192	S	C	*	.			trans	-125.7	109	167.5	178.9	177.2	-10.4	0	0	108.8	M360 I370 Q371	M360-Q362 PolarHBondContact O-N 3.31Å; Q362-I370 WeakPolarHBondContact CA-O 3.47Å; Q362-Q371 HydrophobicContact CB-CG 4.32Å; Q362-Q371 HydrophobicContact CG-CG 3.83Å
363	V	92.2	Very high	92.2	Very high	19 Å²	19	37.6 Å²	37.6	12%	0.115	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	159.8	-178.4	-66.1	0	0	0	0	110.9	L315 V316 E319 V361 I370	L315-V363 HydrophobicContact CD2-CG2 4.17Å; L315-V363 HydrophobicContact CG-CG2 4.32Å; V316-V363 HydrophobicContact CG2-CG2 4.09Å; E319-V363 HydrophobicContact CB-CG1 4.01Å; E319-V363 HydrophobicContact CG-CG1 3.71Å; V361-V363 HydrophobicContact CG1-CB 4.38Å; V361-V363 HydrophobicContact CG1-CG1 3.75Å; V361-V363 HydrophobicContact CG1-CG2 3.89Å; V363-I370 HydrophobicContact CG2-CB 4.28Å; V363-I370 HydrophobicContact CG2-CD1 4.28Å; V363-I370 PolarHBondContact N-O 3.46Å; V363-I370 PolarHBondContact O-N 3.42Å
364	Q	91.3	Very high	92.3	Very high	126 Å²	126	40.2 Å²	40.2	59%	0.589	20%	0.201	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-103.3	117.8	172.2	-167.2	155.2	1.4	0	0	109.4	G368	Q364-G368 WeakPolarHBondContact CA-O 3.21Å
365	G	89.5	Confident	92.2	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	-164.7	179.3	0	0	0	0	0	112.7	D312 T367 G368	D312-G365 WeakPolarHBondContact OD1-CA 3.48Å; G365-T367 PolarHBondContact O-N 3.49Å; G365-G368 PolarHBondContact N-O 3.47Å; G365-G368 PolarHBondContact O-N 2.87Å
366	M	89.6	Confident	92.1	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.01	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-29.5	175.3	-72.9	-160.4	-100	0	0	112.5	V280 F283 L303 A308 H311 D312 G368	V280-M366 HydrophobicContact CG2-CB 4.05Å; V280-M366 HydrophobicContact CG2-CG 4.06Å; F283-M366 HydrophobicContact CB-SD 4.07Å; F283-M366 HydrophobicContact CD1-CE 3.71Å; F283-M366 HydrophobicContact CD1-SD 3.56Å; F283-M366 VanDerWaalsContact CD1-SD 3.56Å; F283-M366 HydrophobicContact CD2-CE 3.79Å; F283-M366 HydrophobicContact CD2-SD 4.27Å; F283-M366 HydrophobicContact CE1-CE 3.64Å; F283-M366 HydrophobicContact CE1-SD 4.04Å; F283-M366 HydrophobicContact CE2-CE 3.72Å; F283-M366 HydrophobicContact CG-CE 3.79Å; F283-M366 HydrophobicContact CG-SD 3.69Å; F283-M366 HydrophobicContact CZ-CE 3.65Å; L303-M366 HydrophobicContact CD2-SD 4.21Å; A308-M366 HydrophobicContact CB-CB 4.29Å; A308-M366 HydrophobicContact CB-SD 4.44Å; H311-M366 HydrophobicContact CB-CE 3.29Å; H311-M366 WeakPolarHBondContact ND1-CE 3.5Å; D312-M366 PolarHBondContact OD1-N 3.42Å; D312-M366 PolarHBondContact OD2-N 3.21Å; M366-G368 VanDerWaalsContact C-N 3.28Å; M366-G368 PolarHBondContact O-N 3.08Å
367	T	91.9	Very high	92.1	Very high	3 Å²	3	41.2 Å²	41.2	2%	0.018	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	17.1	178.2	63.4	0	0	0	0	113.8	I272 V273 A308 L309 D312 G365 R378	I272-T367 HydrophobicContact CD1-CG2 4.24Å; I272-T367 HydrophobicContact CG1-CG2 4.25Å; I272-T367 HydrophobicContact CG2-CG2 4.25Å; V273-T367 HydrophobicContact CG2-CG2 4.38Å; A308-T367 HydrophobicContact CB-CG2 4.46Å; L309-T367 HydrophobicContact CD2-CG2 3.77Å; L309-T367 HydrophobicContact CG-CG2 4.22Å; D312-T367 WeakPolarHBondContact OD2-CB 3.49Å; D312-T367 WeakPolarHBondContact OD2-CG2 3.27Å; D312-T367 PolarHBondContact OD2-N 2.87Å; D312-T367 PolarHBondContact OD2-OG1 2.89Å; G365-T367 PolarHBondContact O-N 3.49Å; T367-R378 PolarHBondContact O-NH2 3.32Å; T367-R378 PolarHBondContact OG1-NH1 3.36Å
368	G	91.2	Very high	92.1	Very high	22 Å²	22	41.6 Å²	41.6	23%	0.227	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	87.1	-142.8	179.7	0	0	0	0	0	112.9	Q364 G365 M366	Q364-G368 WeakPolarHBondContact CA-O 3.21Å; G365-G368 PolarHBondContact N-O 3.47Å; G365-G368 PolarHBondContact O-N 2.87Å; M366-G368 VanDerWaalsContact C-N 3.28Å; M366-G368 PolarHBondContact O-N 3.08Å
369	N	93.3	Very high	92	Very high	47 Å²	47	43.2 Å²	43.2	25%	0.251	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	133.4	177	-174.4	50.7	0	0	0	110.5	Q371 R378 N380	N369-Q371 PolarHBondContact ND2-NE2 3.06Å; N369-Q371 VanDerWaalsContact ND2-NE2 3.19Å; N369-R378 PolarHBondContact O-NH2 3.5Å; N369-R378 VanDerWaalsContact O-NH2 3.12Å; N369-N380 PolarHBondContact ND2-ND2 2.86Å; N369-N380 PolarHBondContact ND2-O 3.17Å
370	I	94.4	Very high	91.9	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	117.4	179.5	-53.5	174	0	0	0	107.9	M141 D312 V316 Q362 V363 F372	M141-I370 HydrophobicContact CE-CD1 4.34Å; M141-I370 HydrophobicContact CE-CG2 4.44Å; D312-I370 HydrophobicContact CB-CD1 3.7Å; V316-I370 HydrophobicContact CG2-CD1 4.4Å; V316-I370 HydrophobicContact CG2-CG2 3.96Å; Q362-I370 WeakPolarHBondContact CA-O 3.47Å; V363-I370 HydrophobicContact CG2-CB 4.28Å; V363-I370 HydrophobicContact CG2-CD1 4.28Å; V363-I370 PolarHBondContact N-O 3.46Å; V363-I370 PolarHBondContact O-N 3.42Å; I370-F372 HydrophobicContact CG2-CE1 4.39Å; I370-F372 HydrophobicContact CG2-CE2 3.87Å; I370-F372 HydrophobicContact CG2-CZ 3.64Å
371	Q	93.8	Very high	91.9	Very high	38 Å²	38	38.8 Å²	38.8	18%	0.178	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	154.7	175.5	-68.4	176.4	-1.8	0	0	108.4	Q362 N369 R378 T379 N380	Q362-Q371 HydrophobicContact CB-CG 4.32Å; Q362-Q371 HydrophobicContact CG-CG 3.83Å; N369-Q371 PolarHBondContact ND2-NE2 3.06Å; N369-Q371 VanDerWaalsContact ND2-NE2 3.19Å; Q371-R378 WeakPolarHBondContact O-CA 3.31Å; Q371-R378 WeakPolarHBondContact O-CG 3.39Å; Q371-T379 PolarHBondContact O-N 3.2Å; Q371-N380 VanDerWaalsContact OE1-CB 3.23Å; Q371-N380 PolarHBondContact OE1-ND2 3.15Å
372	F	93.8	Very high	91.8	Very high	20 Å²	20	41.7 Å²	41.7	9%	0.088	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	153	-179.1	-56.6	-76.7	0	0	0	112.1	I139 M141 V316 I370 R377	I139-F372 HydrophobicContact CG2-CD1 3.92Å; I139-F372 HydrophobicContact CG2-CE1 3.44Å; I139-F372 VanDerWaalsContact CG2-CE1 3.44Å; I139-F372 HydrophobicContact CG2-CE2 4.11Å; I139-F372 HydrophobicContact CG2-CG 4.44Å; I139-F372 HydrophobicContact CG2-CZ 3.54Å; M141-F372 HydrophobicContact SD-CE1 4.25Å; M141-F372 HydrophobicContact SD-CZ 3.84Å; V316-F372 HydrophobicContact CG1-CE2 3.86Å; V316-F372 HydrophobicContact CG1-CZ 4.22Å; V316-F372 HydrophobicContact CG2-CE2 4.25Å; V316-F372 HydrophobicContact CG2-CZ 4.3Å; I370-F372 HydrophobicContact CG2-CE1 4.39Å; I370-F372 HydrophobicContact CG2-CE2 3.87Å; I370-F372 HydrophobicContact CG2-CZ 3.64Å; F372-R377 CarbonylContact C-O 3.54Å; F372-R377 VanDerWaalsContact CA-O 3.24Å; F372-R377 WeakPolarHBondContact CA-O 3.2Å
373	D	91.1	Very high	91.7	Very high	34 Å²	34	35.4 Å²	35.4	18%	0.182	19%	0.185	C	C	.	.			trans	-81.8	-176.5	169	75.9	-1	0	0	0	112.3	Y375 G376 R377 T379	D373-Y375 PolarHBondContact O-N 3.38Å; D373-Y375 VanDerWaalsContact O-N 3.13Å; D373-Y375 VanDerWaalsContact OD1-C 3.27Å; D373-Y375 VanDerWaalsContact OD1-CA 3.31Å; D373-Y375 WeakPolarHBondContact OD1-CA 3.34Å; D373-Y375 PolarHBondContact OD1-N 2.88Å; D373-G376 PolarHBondContact O-N 3.4Å; D373-G376 PolarHBondContact OD1-N 3.39Å; D373-R377 PolarHBondContact N-O 3.08Å; D373-R377 PolarHBondContact OD1-N 3.46Å; D373-R377 IonicContact OD2-CZ 2.77Å; D373-R377 VanDerWaalsContact OD2-CZ 3.24Å; D373-R377 IonicContact OD2-NE 3.84Å; D373-R377 PolarHBondContact OD2-NE 3Å; D373-R377 IonicContact OD2-NH2 2.63Å; D373-R377 PolarHBondContact OD2-NH2 2.96Å; D373-T379 HydrophobicContact CB-CG2 3.85Å
374	T	91.1	Very high	91.8	Very high	106 Å²	106	35.1 Å²	35.1	65%	0.65	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-18.3	177.4	50.2	0	0	0	0	114	K359	K359-T374 WeakPolarHBondContact CE-O 3.42Å; K359-T374 PolarHBondContact NZ-O 3.3Å
375	Y	90.3	Very high	91.8	Very high	85 Å²	85	29.2 Å²	29.2	33%	0.333	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	1.4	-178.4	-58.5	-74.3	0	0	0	112.8	D134 D373	D134-Y375 HydrophobicContact CB-CD1 3.79Å; D134-Y375 HydrophobicContact CB-CE1 3.66Å; D134-Y375 HydrophobicContact CB-CG 4.39Å; D373-Y375 PolarHBondContact O-N 3.38Å; D373-Y375 VanDerWaalsContact O-N 3.13Å; D373-Y375 VanDerWaalsContact OD1-C 3.27Å; D373-Y375 VanDerWaalsContact OD1-CA 3.31Å; D373-Y375 WeakPolarHBondContact OD1-CA 3.34Å; D373-Y375 PolarHBondContact OD1-N 2.88Å
376	G	89.9	Confident	91.8	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.159	C	C	.	.	S	Bend	trans	83	14.2	-179.9	0	0	0	0	0	114.6	Q140 D373	Q140-G376 PolarHBondContact N-O 3.5Å; D373-G376 PolarHBondContact O-N 3.4Å; D373-G376 PolarHBondContact OD1-N 3.39Å
377	R	91.8	Very high	91.8	Very high	73 Å²	73	31.6 Å²	31.6	28%	0.275	17%	0.165	S	C	.	.			trans	-84.1	143.5	171.5	-59.5	179.1	-64.9	-141.9	-6	110	D134 F372 D373	D134-R377 IonicContact OD1-CZ 3.83Å; D134-R377 IonicContact OD1-NH1 3.41Å; D134-R377 PolarHBondContact OD1-NH1 2.91Å; D134-R377 IonicContact OD1-NH2 2.75Å; F372-R377 CarbonylContact C-O 3.54Å; F372-R377 VanDerWaalsContact CA-O 3.24Å; F372-R377 WeakPolarHBondContact CA-O 3.2Å; D373-R377 PolarHBondContact N-O 3.08Å; D373-R377 PolarHBondContact OD1-N 3.46Å; D373-R377 IonicContact OD2-CZ 2.77Å; D373-R377 VanDerWaalsContact OD2-CZ 3.24Å; D373-R377 IonicContact OD2-NE 3.84Å; D373-R377 PolarHBondContact OD2-NE 3Å; D373-R377 IonicContact OD2-NH2 2.63Å; D373-R377 PolarHBondContact OD2-NH2 2.96Å
378	R	91.8	Very high	91.2	Very high	10 Å²	10	32 Å²	32	4%	0.038	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	130.3	-178.4	-155.7	-172.5	135.8	173	3.3	111.6	M141 I272 T367 N369 Q371 Y381	M141-R378 VanDerWaalsContact O-CD 3.23Å; M141-R378 WeakPolarHBondContact O-CD 3.45Å; I272-R378 VanDerWaalsContact CD1-NH1 3.29Å; T367-R378 PolarHBondContact O-NH2 3.32Å; T367-R378 PolarHBondContact OG1-NH1 3.36Å; N369-R378 PolarHBondContact O-NH2 3.5Å; N369-R378 VanDerWaalsContact O-NH2 3.12Å; Q371-R378 WeakPolarHBondContact O-CA 3.31Å; Q371-R378 WeakPolarHBondContact O-CG 3.39Å; R378-Y381 WeakPolarHBondContact O-CE1 3.44Å
379	T	91.3	Very high	90.1	Very high	36 Å²	36	35.4 Å²	35.4	22%	0.221	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	166.4	177.8	55.2	0	0	0	0	111.3	Q371 D373 Y381	Q371-T379 PolarHBondContact O-N 3.2Å; D373-T379 HydrophobicContact CB-CG2 3.85Å; T379-Y381 VanDerWaalsContact C-N 3.29Å; T379-Y381 PolarHBondContact O-N 3.35Å
380	N	91	Very high	88.8	Confident	50 Å²	50	38.8 Å²	38.8	27%	0.267	20%	0.198	S	C	.	.	S	Bend	trans	53.4	46.4	175	-166.6	15.7	0	0	0	113.1	N369 Q371 E401 Y402	N369-N380 PolarHBondContact ND2-ND2 2.86Å; N369-N380 PolarHBondContact ND2-O 3.17Å; Q371-N380 VanDerWaalsContact OE1-CB 3.23Å; Q371-N380 PolarHBondContact OE1-ND2 3.15Å; N380-E401 PolarHBondContact N-OE2 3.28Å; N380-Y402 HydrophobicContact CB-CE2 4.48Å
381	Y	92.1	Very high	87.3	Confident	6 Å²	6	44.3 Å²	44.3	2%	0.024	24%	0.236	C	C	.	.			trans	-106	157.1	175.6	60.3	-91.6	0	0	0	110.9	P143 A144 R378 T379 I383 W399 E401	P143-Y381 HydrophobicContact CB-CD1 3.62Å; P143-Y381 HydrophobicContact CB-CD2 3.5Å; P143-Y381 HydrophobicContact CB-CE1 3.54Å; P143-Y381 HydrophobicContact CB-CE2 3.41Å; P143-Y381 VanDerWaalsContact CB-CE2 3.41Å; P143-Y381 HydrophobicContact CB-CG 3.61Å; P143-Y381 VanDerWaalsContact CB-CZ 3.43Å; P143-Y381 HydrophobicContact CG-CD2 4.03Å; P143-Y381 HydrophobicContact CG-CE2 4.17Å; P143-Y381 HydrophobicContact CG-CG 4.34Å; A144-Y381 PolarHBondContact N-OH 2.89Å; A144-Y381 PolarHBondContact O-OH 3.36Å; R378-Y381 WeakPolarHBondContact O-CE1 3.44Å; T379-Y381 VanDerWaalsContact C-N 3.29Å; T379-Y381 PolarHBondContact O-N 3.35Å; Y381-I383 HydrophobicContact CD2-CD1 4.05Å; Y381-I383 HydrophobicContact CD2-CG1 3.82Å; Y381-I383 HydrophobicContact CE2-CD1 3.61Å; Y381-I383 HydrophobicContact CE2-CG1 3.9Å; Y381-W399 HydrophobicContact CD2-CZ3 4.45Å; Y381-W399 HydrophobicContact CE2-CE3 4.12Å; Y381-W399 AromaticContact CE2-CZ3 3.53Å; Y381-W399 HydrophobicContact CE2-CZ3 3.53Å; Y381-W399 AromaticContact CZ-CZ3 3.81Å; Y381-E401 HydrophobicContact CE1-CG 4.19Å; Y381-E401 WeakPolarHBondContact CE1-OE1 3.3Å
382	T	92.2	Very high	86.3	Confident	67 Å²	67	43.3 Å²	43.3	41%	0.411	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	131.2	176.3	-52.2	0	0	0	0	108.9	Y398 W399	T382-Y398 HydrophobicContact CG2-CD2 3.87Å; T382-Y398 HydrophobicContact CG2-CG 4.15Å; T382-W399 WeakPolarHBondContact CA-O 3.37Å
383	I	93.3	Very high	85.6	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	126.2	174.2	-62.6	177.1	0	0	0	107.9	L145 A148 L250 F270 Y381 Y398 W399	L145-I383 HydrophobicContact CD1-CD1 3.91Å; A148-I383 HydrophobicContact CB-CD1 4.41Å; L250-I383 HydrophobicContact CD2-CD1 3.83Å; L250-I383 HydrophobicContact CD2-CG1 4.28Å; L250-I383 HydrophobicContact CD2-CG2 4.38Å; F270-I383 HydrophobicContact CB-CG2 3.69Å; F270-I383 HydrophobicContact CD1-CG2 3.91Å; F270-I383 HydrophobicContact CG-CG2 4.23Å; Y381-I383 HydrophobicContact CD2-CD1 4.05Å; Y381-I383 HydrophobicContact CD2-CG1 3.82Å; Y381-I383 HydrophobicContact CE2-CD1 3.61Å; Y381-I383 HydrophobicContact CE2-CG1 3.9Å; I383-Y398 CarbonylContact O-C 3.14Å; I383-Y398 WeakPolarHBondContact O-CA 3.47Å; I383-W399 HydrophobicContact CD1-CE3 4.39Å; I383-W399 PolarHBondContact N-O 3.2Å; I383-W399 PolarHBondContact O-N 3.35Å
384	D	92.5	Very high	85.1	Confident	13 Å²	13	48 Å²	48	7%	0.07	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	136.5	174.2	-68.8	-28.3	0	0	0	110	F270 Q271 Y386 K395	F270-D384 WeakPolarHBondContact CA-O 3.35Å; Q271-D384 HydrophobicContact CB-CB 4.47Å; Q271-D384 PolarHBondContact N-O 3.28Å; Q271-D384 WeakPolarHBondContact O-CB 3.33Å; Q271-D384 PolarHBondContact O-N 2.8Å; D384-Y386 HydrophobicContact CB-CD2 4.26Å; D384-Y386 HydrophobicContact CB-CE2 3.77Å; D384-K395 HydrophobicContact CB-CD 4.45Å; D384-K395 WeakPolarHBondContact OD1-CE 3.4Å; D384-K395 IonicContact OD1-NZ 3.89Å; D384-K395 PolarHBondContact OD1-NZ 2.54Å; D384-K395 WeakPolarHBondContact OD2-CE 3.45Å; D384-K395 IonicContact OD2-NZ 3.71Å; D384-K395 PolarHBondContact OD2-NZ 3.1Å
385	V	92.9	Very high	84.9	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.006	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	125.8	175.9	-178.2	0	0	0	0	108.5	L152 F270 A396 G397 F405	L152-V385 HydrophobicContact CD1-CG1 4.23Å; L152-V385 HydrophobicContact CD2-CG1 4.13Å; F270-V385 HydrophobicContact CD1-CG2 3.99Å; F270-V385 HydrophobicContact CE1-CG2 4.09Å; V385-A396 PolarHBondContact O-N 3.32Å; V385-G397 PolarHBondContact N-O 3.45Å; V385-G397 PolarHBondContact O-N 2.88Å; V385-F405 HydrophobicContact CB-CE2 3.76Å; V385-F405 HydrophobicContact CB-CZ 4.49Å; V385-F405 HydrophobicContact CG1-CE2 4.19Å; V385-F405 HydrophobicContact CG2-CD2 3.86Å; V385-F405 HydrophobicContact CG2-CE2 3.52Å
386	Y	89.3	Confident	84.7	Confident	23 Å²	23	42.6 Å²	42.6	9%	0.09	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	139.7	177.5	-79.5	-101.5	0	0	0	110.5	F252 T268 G269 Q271 D384 R394 K395	F252-Y386 VanDerWaalsContact CD1-CB 3.44Å; F252-Y386 HydrophobicContact CD1-CG 4.07Å; T268-Y386 WeakPolarHBondContact CA-O 3.37Å; G269-Y386 PolarHBondContact N-O 3.4Å; G269-Y386 PolarHBondContact O-N 3.45Å; Q271-Y386 HydrophobicContact CB-CD2 3.49Å; Q271-Y386 VanDerWaalsContact CB-CD2 3.49Å; Q271-Y386 HydrophobicContact CB-CE2 3.45Å; Q271-Y386 VanDerWaalsContact CB-CE2 3.45Å; Q271-Y386 HydrophobicContact CG-CD2 4.35Å; Q271-Y386 HydrophobicContact CG-CE2 3.89Å; D384-Y386 HydrophobicContact CB-CD2 4.26Å; D384-Y386 HydrophobicContact CB-CE2 3.77Å; Y386-R394 WeakPolarHBondContact CA-O 3.48Å; Y386-K395 HydrophobicContact CD1-CB 4.43Å; Y386-K395 HydrophobicContact CE1-CB 4.02Å; Y386-K395 HydrophobicContact CE2-CG 4.48Å
387	E	88.1	Confident	84.8	Confident	30 Å²	30	42.6 Å²	42.6	14%	0.14	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	128.6	171.6	-172	-178.7	-153.4	0	0	108.7	I267 T268 K389 R394 A396	I267-E387 CarbonylContact O-C 3.51Å; I267-E387 WeakPolarHBondContact O-CA 3.41Å; T268-E387 HydrophobicContact CG2-CB 4.45Å; T268-E387 HydrophobicContact CG2-CG 4.17Å; E387-K389 WeakPolarHBondContact OE2-CE 3.32Å; E387-K389 IonicContact OE2-NZ 2.73Å; E387-R394 PolarHBondContact N-O 3.21Å; E387-R394 PolarHBondContact O-N 3.45Å; E387-A396 HydrophobicContact CB-CB 4.07Å
388	M	80.3	Confident	84.8	Confident	10 Å²	10	42.6 Å²	42.6	5%	0.049	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	122.1	171.7	-171.3	58.2	65.7	0	0	109.6	F252 L257 M261 I267 S393	F252-M388 HydrophobicContact CE1-CE 4.1Å; F252-M388 HydrophobicContact CZ-CB 4.25Å; F252-M388 HydrophobicContact CZ-CE 4.15Å; L257-M388 HydrophobicContact CB-CE 3.64Å; L257-M388 HydrophobicContact CD1-CE 3.48Å; L257-M388 VanDerWaalsContact CD1-CE 3.48Å; L257-M388 HydrophobicContact CG-CE 4.07Å; M261-M388 HydrophobicContact CG-CG 4.35Å; M261-M388 HydrophobicContact CG-SD 3.92Å; M261-M388 HydrophobicContact SD-CE 4.44Å; M261-M388 HydrophobicContact SD-SD 3.63Å; M261-M388 VanDerWaalsContact SD-SD 3.63Å; I267-M388 HydrophobicContact CB-CB 3.88Å; I267-M388 PolarHBondContact O-N 2.87Å; M388-S393 PolarHBondContact SD-N 3.06Å; M388-S393 VanDerWaalsContact SD-N 3.42Å
389	K	68.8	Low	84.9	Confident	94 Å²	94	42.9 Å²	42.9	41%	0.409	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	174	168.3	-64.7	-171.1	-178.9	177.5	0	109.6	E387 S391 G392	E387-K389 WeakPolarHBondContact OE2-CE 3.32Å; E387-K389 IonicContact OE2-NZ 2.73Å; K389-S391 PolarHBondContact O-N 2.77Å; K389-S391 VanDerWaalsContact O-N 3.14Å; K389-G392 PolarHBondContact N-O 2.72Å; K389-G392 PolarHBondContact O-N 3.45Å
390	V	65.4	Low	84.8	Confident	119 Å²	119	42 Å²	42	72%	0.721	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-26	177.9	-176.4	0	0	0	0	112.2	G392	V390-G392 VanDerWaalsContact C-N 3.32Å
391	S	63.4	Low	84.6	Confident	115 Å²	115	43.2 Å²	43.2	80%	0.804	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-2.9	176	57.9	0	0	0	0	114.5	K389	K389-S391 PolarHBondContact O-N 2.77Å; K389-S391 VanDerWaalsContact O-N 3.14Å
392	G	72.3	Confident	84.3	Confident	17 Å²	17	50.7 Å²	50.7	18%	0.175	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	115.4	-176.4	-175.3	0	0	0	0	0	113.6	K389 V390 R394	K389-G392 PolarHBondContact N-O 2.72Å; K389-G392 PolarHBondContact O-N 3.45Å; V390-G392 VanDerWaalsContact C-N 3.32Å; G392-R394 PolarHBondContact O-N 3.08Å
393	S	78.2	Confident	83.9	Confident	63 Å²	63	53 Å²	53	44%	0.441	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	124.5	177.2	56.9	0	0	0	0	110.7	M388	M388-S393 PolarHBondContact SD-N 3.06Å; M388-S393 VanDerWaalsContact SD-N 3.42Å
394	R	82.4	Confident	83.6	Confident	90 Å²	90	61 Å²	61	34%	0.34	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	139.7	174.2	179.7	178	169.2	-173.1	-8.7	109.8	Y386 E387 G392 A396 D410	Y386-R394 WeakPolarHBondContact CA-O 3.48Å; E387-R394 PolarHBondContact N-O 3.21Å; E387-R394 PolarHBondContact O-N 3.45Å; G392-R394 PolarHBondContact O-N 3.08Å; R394-A396 PolarHBondContact O-N 3.47Å; R394-D410 IonicContact CZ-OD1 2.97Å; R394-D410 IonicContact CZ-OD2 3.96Å; R394-D410 IonicContact NH1-OD1 3.95Å; R394-D410 IonicContact NH1-OD2 3.3Å; R394-D410 PolarHBondContact NH1-OD2 2.81Å; R394-D410 VanDerWaalsContact NH1-OD2 3.14Å; R394-D410 IonicContact NH2-OD1 3.14Å; R394-D410 PolarHBondContact NH2-OD1 2.9Å; R394-D410 IonicContact NH2-OD2 3.97Å; R394-D410 PolarHBondContact NH2-OD2 2.9Å
395	K	86.9	Confident	83.5	Confident	55 Å²	55	61.8 Å²	61.8	24%	0.239	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	114.6	169.6	-174.6	170.6	175.5	164.2	0	109.2	D384 Y386	D384-K395 HydrophobicContact CB-CD 4.45Å; D384-K395 WeakPolarHBondContact OD1-CE 3.4Å; D384-K395 IonicContact OD1-NZ 3.89Å; D384-K395 PolarHBondContact OD1-NZ 2.54Å; D384-K395 WeakPolarHBondContact OD2-CE 3.45Å; D384-K395 IonicContact OD2-NZ 3.71Å; D384-K395 PolarHBondContact OD2-NZ 3.1Å; Y386-K395 HydrophobicContact CD1-CB 4.43Å; Y386-K395 HydrophobicContact CE1-CB 4.02Å; Y386-K395 HydrophobicContact CE2-CG 4.48Å
396	A	86.1	Confident	83.3	Confident	23 Å²	23	63.7 Å²	63.7	19%	0.19	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	-25.9	-176.8	0	0	0	0	0	112.6	V385 E387 R394 F408	V385-A396 PolarHBondContact O-N 3.32Å; E387-A396 HydrophobicContact CB-CB 4.07Å; R394-A396 PolarHBondContact O-N 3.47Å; A396-F408 PolarHBondContact O-N 2.9Å
397	G	90.6	Very high	83.2	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.4	-168.7	-179.1	0	0	0	0	0	111.9	V385 V406	V385-G397 PolarHBondContact N-O 3.45Å; V385-G397 PolarHBondContact O-N 2.88Å; G397-V406 WeakPolarHBondContact CA-O 3.39Å
398	Y	92	Very high	82.8	Confident	73 Å²	73	70.4 Å²	70.4	29%	0.286	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	157.9	171.9	66.3	-89.2	0	0	0	110.6	T382 I383 E403 V406	T382-Y398 HydrophobicContact CG2-CD2 3.87Å; T382-Y398 HydrophobicContact CG2-CG 4.15Å; I383-Y398 CarbonylContact O-C 3.14Å; I383-Y398 WeakPolarHBondContact O-CA 3.47Å; Y398-E403 PolarHBondContact OH-OE2 3.11Å; Y398-V406 HydrophobicContact CE1-CB 4.13Å; Y398-V406 HydrophobicContact CE1-CG1 4.17Å; Y398-V406 HydrophobicContact CE2-CB 4.16Å; Y398-V406 HydrophobicContact CE2-CG2 4.25Å; Y398-V406 PolarHBondContact N-O 2.86Å; Y398-V406 VanDerWaalsContact N-O 3.09Å; Y398-V406 PolarHBondContact O-N 2.75Å
399	W	93.9	Very high	81.4	Confident	16 Å²	16	73.4 Å²	73.4	6%	0.061	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	132.7	175.8	-175.8	90.6	0	0	0	109.7	G147 A148 S151 Y381 T382 I383 E401 R404	G147-W399 VanDerWaalsContact C-CZ2 3.41Å; G147-W399 PolarHBondContact O-NE1 3.21Å; A148-W399 HydrophobicContact CB-CB 4.37Å; A148-W399 HydrophobicContact CB-CD2 3.72Å; A148-W399 HydrophobicContact CB-CE3 4.06Å; A148-W399 HydrophobicContact CB-CG 3.84Å; S151-W399 PolarHBondContact OG-NE1 3.29Å; Y381-W399 HydrophobicContact CD2-CZ3 4.45Å; Y381-W399 HydrophobicContact CE2-CE3 4.12Å; Y381-W399 AromaticContact CE2-CZ3 3.53Å; Y381-W399 HydrophobicContact CE2-CZ3 3.53Å; Y381-W399 AromaticContact CZ-CZ3 3.81Å; T382-W399 WeakPolarHBondContact CA-O 3.37Å; I383-W399 HydrophobicContact CD1-CE3 4.39Å; I383-W399 PolarHBondContact N-O 3.2Å; I383-W399 PolarHBondContact O-N 3.35Å; W399-E401 HydrophobicContact CH2-CG 3.92Å; W399-E401 HydrophobicContact CZ3-CG 4.03Å; W399-R404 WeakPolarHBondContact CA-O 3.37Å
400	N	90.4	Very high	80.3	Confident	18 Å²	18	72.2 Å²	72.2	10%	0.096	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	167.2	169.8	64.3	13.2	0	0	0	110.2	Y402 E403 R404	N400-Y402 VanDerWaalsContact C-N 3.27Å; N400-Y402 PolarHBondContact O-N 2.76Å; N400-E403 PolarHBondContact ND2-OE2 2.79Å; N400-E403 WeakPolarHBondContact OD1-CA 3.34Å; N400-E403 WeakPolarHBondContact OD1-CB 3.3Å; N400-E403 PolarHBondContact OD1-N 3.26Å; N400-R404 PolarHBondContact N-O 2.84Å; N400-R404 VanDerWaalsContact O-CA 3.31Å; N400-R404 WeakPolarHBondContact O-CA 3.4Å; N400-R404 PolarHBondContact O-N 2.56Å; N400-R404 PolarHBondContact OD1-N 2.91Å; N400-R404 PolarHBondContact OD1-O 2.75Å
401	E	86	Confident	79	Confident	74 Å²	74	75.2 Å²	75.2	35%	0.346	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-27.2	-178.7	-65.8	178.2	145.5	0	0	112.9	N380 Y381 W399	N380-E401 PolarHBondContact N-OE2 3.28Å; Y381-E401 HydrophobicContact CE1-CG 4.19Å; Y381-E401 WeakPolarHBondContact CE1-OE1 3.3Å; W399-E401 HydrophobicContact CH2-CG 3.92Å; W399-E401 HydrophobicContact CZ3-CG 4.03Å
402	Y	86.4	Confident	77.7	Confident	163 Å²	163	75.9 Å²	75.9	64%	0.639	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-52.1	-172.5	-56.4	-73.8	0	0	0	113.7	N380 N400	N380-Y402 HydrophobicContact CB-CE2 4.48Å; N400-Y402 VanDerWaalsContact C-N 3.27Å; N400-Y402 PolarHBondContact O-N 2.76Å
403	E	82.9	Confident	76.1	Confident	115 Å²	115	83.3 Å²	83.3	54%	0.537	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-5.8	-176.6	-51.5	174.4	134.9	0	0	112.5	Y398 N400 V406	Y398-E403 PolarHBondContact OH-OE2 3.11Å; N400-E403 PolarHBondContact ND2-OE2 2.79Å; N400-E403 WeakPolarHBondContact OD1-CA 3.34Å; N400-E403 WeakPolarHBondContact OD1-CB 3.3Å; N400-E403 PolarHBondContact OD1-N 3.26Å; E403-V406 HydrophobicContact CB-CG2 3.81Å
404	R	88	Confident	74.2	Confident	170 Å²	170	83.1 Å²	83.1	64%	0.642	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	59.8	-141.9	-173.5	-55.4	-175.7	175	92.2	-1.5	110.4	W399 N400 V406	W399-R404 WeakPolarHBondContact CA-O 3.37Å; N400-R404 PolarHBondContact N-O 2.84Å; N400-R404 VanDerWaalsContact O-CA 3.31Å; N400-R404 WeakPolarHBondContact O-CA 3.4Å; N400-R404 PolarHBondContact O-N 2.56Å; N400-R404 PolarHBondContact OD1-N 2.91Å; N400-R404 PolarHBondContact OD1-O 2.75Å; R404-V406 PolarHBondContact O-N 2.85Å
405	F	90	Very high	71.9	Confident	28 Å²	28	85.7 Å²	85.7	12%	0.123	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	116.9	-179	179.8	-116.7	0	0	0	110.7	L152 H155 V385 P407	L152-F405 HydrophobicContact CD1-CD1 4.33Å; L152-F405 HydrophobicContact CD1-CE1 4.1Å; L152-F405 HydrophobicContact CD1-CE2 4.35Å; L152-F405 HydrophobicContact CD1-CZ 4.11Å; H155-F405 HydrophobicContact CB-CD1 3.96Å; H155-F405 HydrophobicContact CB-CE1 4.33Å; H155-F405 AromaticContact CD2-CE1 3.69Å; H155-F405 AromaticContact CE1-CE1 3.86Å; H155-F405 AromaticContact CG-CD1 3.72Å; H155-F405 AromaticContact CG-CE1 3.68Å; H155-F405 AromaticContact ND1-CD1 3.82Å; H155-F405 AromaticContact ND1-CE1 3.78Å; H155-F405 AromaticContact NE2-CE1 3.81Å; V385-F405 HydrophobicContact CB-CE2 3.76Å; V385-F405 HydrophobicContact CB-CZ 4.49Å; V385-F405 HydrophobicContact CG1-CE2 4.19Å; V385-F405 HydrophobicContact CG2-CD2 3.86Å; V385-F405 HydrophobicContact CG2-CE2 3.52Å; F405-P407 HydrophobicContact CE1-CB 4.2Å; F405-P407 HydrophobicContact CZ-CB 4.43Å
406	V	89	Confident	69.4	Low	42 Å²	42	87 Å²	87	26%	0.255	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	109.7	174.4	-176.5	0	0	0	0	108.2	G397 Y398 E403 R404	G397-V406 WeakPolarHBondContact CA-O 3.39Å; Y398-V406 HydrophobicContact CE1-CB 4.13Å; Y398-V406 HydrophobicContact CE1-CG1 4.17Å; Y398-V406 HydrophobicContact CE2-CB 4.16Å; Y398-V406 HydrophobicContact CE2-CG2 4.25Å; Y398-V406 PolarHBondContact N-O 2.86Å; Y398-V406 VanDerWaalsContact N-O 3.09Å; Y398-V406 PolarHBondContact O-N 2.75Å; E403-V406 HydrophobicContact CB-CG2 3.81Å; R404-V406 PolarHBondContact O-N 2.85Å
407	P	85.3	Confident	67.1	Low	65 Å²	65	89.7 Å²	89.7	42%	0.422	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	139	174.3	28.4	-32.8	0	0	0	109	F405 S409	F405-P407 HydrophobicContact CE1-CB 4.2Å; F405-P407 HydrophobicContact CZ-CB 4.43Å; P407-S409 PolarHBondContact O-N 2.81Å
408	F	80.6	Confident	64.5	Low	128 Å²	128	91.6 Å²	91.6	56%	0.561	46%	0.462	S	S	*	.			trans	-69.1	105.3	172.3	-162.8	-95.4	0	0	0	107.3	A396 D410	A396-F408 PolarHBondContact O-N 2.9Å; F408-D410 PolarHBondContact O-N 2.96Å
409	S	51.6	Low	62.2	Low	74 Å²	74	92 Å²	92	52%	0.517	48%	0.476	S	S	.	.			trans	-62.4	124.6	173.2	58	0	0	0	0	107.8	P407 Q411	P407-S409 PolarHBondContact O-N 2.81Å; S409-Q411 PolarHBondContact O-N 3.11Å
410	D	45.4	Very low	59.8	Low	69 Å²	69	95.9 Å²	95.9	37%	0.369	51%	0.505	S	S	.	.			trans	-60.2	84.7	161.9	-89.4	-32.7	0	0	0	108.2	R394 F408 Q412 I413	R394-D410 IonicContact CZ-OD1 2.97Å; R394-D410 IonicContact CZ-OD2 3.96Å; R394-D410 IonicContact NH1-OD1 3.95Å; R394-D410 IonicContact NH1-OD2 3.3Å; R394-D410 PolarHBondContact NH1-OD2 2.81Å; R394-D410 VanDerWaalsContact NH1-OD2 3.14Å; R394-D410 IonicContact NH2-OD1 3.14Å; R394-D410 PolarHBondContact NH2-OD1 2.9Å; R394-D410 IonicContact NH2-OD2 3.97Å; R394-D410 PolarHBondContact NH2-OD2 2.9Å; F408-D410 PolarHBondContact O-N 2.96Å; D410-Q412 CarbonylContact O-C 3.59Å; D410-Q412 PolarHBondContact O-N 2.91Å; D410-I413 PolarHBondContact O-N 2.56Å
411	Q	36.8	Very low	57.8	Low	182 Å²	182	100.3 Å²	100.3	85%	0.85	53%	0.525	S	S	*	.			trans	-69.3	0.7	164.4	-82.3	-172.5	-7.2	0	0	111.5	S409 I413	S409-Q411 PolarHBondContact O-N 3.11Å; Q411-I413 VanDerWaalsContact C-N 3.29Å; Q411-I413 PolarHBondContact O-N 2.67Å
412	Q	37	Very low	56.3	Low	128 Å²	128	101.6 Å²	101.6	60%	0.598	53%	0.534	S	S	*	.			trans	-85.8	72.1	150.8	-74.4	-169	-39.3	0	0	110.6	D410 S414	D410-Q412 CarbonylContact O-C 3.59Å; D410-Q412 PolarHBondContact O-N 2.91Å; Q412-S414 PolarHBondContact O-N 3.36Å
413	I	39.6	Very low	55.5	Low	173 Å²	173	100.1 Å²	100.1	89%	0.887	53%	0.528	S	S	*	.			trans	-72.2	59.5	142.5	-53.9	173.3	0	0	0	106.7	D410 Q411	D410-I413 PolarHBondContact O-N 2.56Å; Q411-I413 VanDerWaalsContact C-N 3.29Å; Q411-I413 PolarHBondContact O-N 2.67Å
414	S	36.4	Very low	55.6	Low	60 Å²	60	97.9 Å²	97.9	42%	0.42	52%	0.522	S	S	.	.	S	Bend	trans	-136.3	94.4	169.7	61.4	0	0	0	0	106.2	Q412 D416	Q412-S414 PolarHBondContact O-N 3.36Å; S414-D416 PolarHBondContact O-N 3.43Å
415	N	34.4	Very low	55.7	Low	143 Å²	143	90.5 Å²	90.5	77%	0.765	50%	0.495	S	S	*	.	S	Bend	trans	69.2	5.1	164.6	-58.4	-14.8	0	0	0	119.5	A418	N415-A418 VanDerWaalsContact O-CB 3.28Å; N415-A418 WeakPolarHBondContact O-CB 3.28Å; N415-A418 PolarHBondContact O-N 2.95Å
416	D	35	Very low	55.8	Low	84 Å²	84	90.6 Å²	90.6	45%	0.449	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	3.7	174.9	-108.1	1.3	0	0	0	115.2	S414 A418 S419	S414-D416 PolarHBondContact O-N 3.43Å; D416-A418 PolarHBondContact O-N 3.03Å; D416-S419 PolarHBondContact O-N 2.96Å; D416-S419 VanDerWaalsContact O-N 3.08Å; D416-S419 PolarHBondContact O-OG 3.26Å
417	S	37.3	Very low	56.1	Low	79 Å²	79	88.8 Å²	88.8	55%	0.552	49%	0.487	S	S	*	.	H	α-helix	trans	-57.5	-20.8	157	54.1	0	0	0	0	111.8	S419 S420 E421	S417-S419 PolarHBondContact O-N 3.31Å; S417-S420 PolarHBondContact O-N 3.39Å; S417-E421 WeakPolarHBondContact O-CB 3.28Å; S417-E421 VanDerWaalsContact O-CG 3.28Å; S417-E421 WeakPolarHBondContact O-CG 3.42Å; S417-E421 PolarHBondContact O-N 3.42Å
418	A	37.5	Very low	56.7	Low	40 Å²	40	85.7 Å²	85.7	33%	0.331	47%	0.467	S	S	.	.	H	α-helix	trans	-64.3	-22.3	173.2	0	0	0	0	0	113.9	N415 D416 N422	N415-A418 VanDerWaalsContact O-CB 3.28Å; N415-A418 WeakPolarHBondContact O-CB 3.28Å; N415-A418 PolarHBondContact O-N 2.95Å; D416-A418 PolarHBondContact O-N 3.03Å; A418-N422 PolarHBondContact O-N 3.38Å; A418-N422 PolarHBondContact O-ND2 3.35Å
419	S	42.2	Very low	57.4	Low	82 Å²	82	79.7 Å²	79.7	57%	0.573	44%	0.441	S	S	*	.	H	α-helix	trans	-80	-32.1	177.9	74.1	0	0	0	0	112.7	D416 S417	D416-S419 PolarHBondContact O-N 2.96Å; D416-S419 VanDerWaalsContact O-N 3.08Å; D416-S419 PolarHBondContact O-OG 3.26Å; S417-S419 PolarHBondContact O-N 3.31Å
420	S	44.2	Very low	59.4	Low	96 Å²	96	76.9 Å²	76.9	67%	0.671	42%	0.42	S	S	*	.	H	α-helix	trans	-78.5	-28	170.8	-165.8	0	0	0	0	112	S417 N422	S417-S420 PolarHBondContact O-N 3.39Å; S420-N422 VanDerWaalsContact C-N 3.34Å
421	E	48	Very low	61.6	Low	112 Å²	112	77.1 Å²	77.1	52%	0.523	42%	0.42	S	S	.	.	H	α-helix	trans	-73.3	-21.3	175.8	-75.1	174.6	175.3	0	0	113.5	S417	S417-E421 WeakPolarHBondContact O-CB 3.28Å; S417-E421 VanDerWaalsContact O-CG 3.28Å; S417-E421 WeakPolarHBondContact O-CG 3.42Å; S417-E421 PolarHBondContact O-N 3.42Å
422	N	55	Low	64.2	Low	100 Å²	100	69.5 Å²	69.5	54%	0.535	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	2.7	178.8	-83.7	-41.4	0	0	0	115.3	A418 S420 T424 K469	A418-N422 PolarHBondContact O-N 3.38Å; A418-N422 PolarHBondContact O-ND2 3.35Å; S420-N422 VanDerWaalsContact C-N 3.34Å; N422-T424 PolarHBondContact O-N 3.19Å; N422-K469 PolarHBondContact OD1-NZ 2.96Å
423	R	69.9	Low	66.9	Low	133 Å²	133	65.8 Å²	65.8	50%	0.502	37%	0.373	S	S	.	.	S	Bend	trans	-80.5	118.8	173.9	-175.5	176.4	178.2	150.6	-3.1	110.3	I425	R423-I425 PolarHBondContact O-N 3.37Å
424	T	83.9	Confident	69.5	Low	67 Å²	67	57.6 Å²	57.6	41%	0.411	33%	0.331	S	S	.	.			trans	-68.8	114.9	172.2	-50.7	0	0	0	0	110.2	N422 K469 K471	N422-T424 PolarHBondContact O-N 3.19Å; T424-K469 WeakPolarHBondContact CA-O 3.39Å; T424-K471 HydrophobicContact CG2-CB 3.78Å
425	I	90.2	Very high	72.3	Confident	16 Å²	16	54.8 Å²	54.8	8%	0.082	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	129.2	177.7	-59.3	-55	0	0	0	109.6	R423 V427 I468 K469 Y470 K471 D503 I504 L774	R423-I425 PolarHBondContact O-N 3.37Å; I425-V427 PolarHBondContact O-N 3.25Å; I425-I468 HydrophobicContact CB-CD1 4.37Å; I425-I468 HydrophobicContact CG1-CB 4.2Å; I425-I468 HydrophobicContact CG1-CD1 4.02Å; I425-I468 HydrophobicContact CG2-CD1 4.45Å; I425-K469 PolarHBondContact N-O 3.06Å; I425-Y470 CarbonylContact O-C 3.5Å; I425-Y470 WeakPolarHBondContact O-CA 3.25Å; I425-K471 PolarHBondContact O-N 3Å; I425-D503 WeakPolarHBondContact CA-OD2 3.35Å; I425-D503 HydrophobicContact CG2-CB 3.67Å; I425-I504 HydrophobicContact CG2-CG2 3.81Å; I425-L774 HydrophobicContact CD1-CD1 4.24Å; I425-L774 HydrophobicContact CG2-CD1 4.3Å
426	V	92.1	Very high	75.2	Confident	29 Å²	29	48 Å²	48	18%	0.176	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	110.3	177.3	-178.2	0	0	0	0	108.9	A502 D503 I504	V426-A502 HydrophobicContact CG1-CB 4.33Å; V426-D503 PolarHBondContact N-OD2 2.69Å; V426-D503 PolarHBondContact O-N 3.04Å; V426-I504 PolarHBondContact O-N 3.38Å
427	V	96.2	Very high	78	Confident	5 Å²	5	45.6 Å²	45.6	3%	0.03	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	107	177.6	-179.7	0	0	0	0	107.9	I425 Y470 K471 L472 S473 I504 V506	I425-V427 PolarHBondContact O-N 3.25Å; V427-Y470 HydrophobicContact CG2-CD2 3.91Å; V427-Y470 HydrophobicContact CG2-CG 4.21Å; V427-K471 PolarHBondContact N-O 2.91Å; V427-L472 HydrophobicContact CB-CD2 4.05Å; V427-L472 HydrophobicContact CG1-CD2 3.87Å; V427-S473 PolarHBondContact O-N 3.29Å; V427-I504 CarbonylContact C-O 3.46Å; V427-I504 WeakPolarHBondContact CA-O 3.35Å; V427-I504 HydrophobicContact CB-CG2 4.02Å; V427-I504 HydrophobicContact CG1-CG2 4.19Å; V427-I504 HydrophobicContact CG2-CG2 3.51Å; V427-V506 HydrophobicContact CG1-CB 3.85Å; V427-V506 HydrophobicContact CG1-CG2 3.81Å
428	T	96.6	Very high	80.7	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	141.6	173.7	-172.2	0	0	0	0	111.1	S473 M493 E496 L497 A502 I504 A505 V506	T428-S473 CarbonylContact C-O 3.56Å; T428-S473 WeakPolarHBondContact CA-O 3.31Å; T428-M493 HydrophobicContact CG2-CB 4.24Å; T428-M493 HydrophobicContact CG2-CG 4.4Å; T428-E496 WeakPolarHBondContact CB-OE2 3.43Å; T428-E496 PolarHBondContact OG1-OE2 2.9Å; T428-L497 HydrophobicContact CG2-CD2 4.35Å; T428-A502 HydrophobicContact CG2-CB 3.61Å; T428-I504 PolarHBondContact N-O 3.48Å; T428-A505 HydrophobicContact CG2-CB 3.54Å; T428-A505 WeakPolarHBondContact O-CA 3.16Å; T428-V506 PolarHBondContact O-N 2.91Å
429	T	95.8	Very high	83.4	Confident	2 Å²	2	47.8 Å²	47.8	1%	0.012	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	176.3	178.1	-160	0	0	0	0	111.5	V436 S473 I474 V475 V506	T429-V436 HydrophobicContact CG2-CG1 4.21Å; T429-V436 HydrophobicContact CG2-CG2 3.95Å; T429-V436 WeakPolarHBondContact OG1-CG2 3.46Å; T429-S473 PolarHBondContact N-O 3.24Å; T429-I474 HydrophobicContact CG2-CD1 3.77Å; T429-I474 WeakPolarHBondContact O-CA 3.4Å; T429-V475 PolarHBondContact O-N 3.4Å; T429-V506 WeakPolarHBondContact CB-O 3.23Å; T429-V506 PolarHBondContact OG1-O 3.5Å
430	I	93.7	Very high	85.6	Confident	15 Å²	15	54.2 Å²	54.2	8%	0.077	27%	0.269	C	S	.	.			trans	-126.3	144.6	-179	-170.3	169.7	0	0	0	110.3	E432 V436 V475 G478 Y480 M493 P508	I430-E432 PolarHBondContact O-N 3.27Å; I430-V436 WeakPolarHBondContact O-CB 3.2Å; I430-V475 HydrophobicContact CB-CG1 4.1Å; I430-V475 HydrophobicContact CD1-CG1 4.42Å; I430-V475 HydrophobicContact CG1-CG1 4.1Å; I430-G478 WeakPolarHBondContact CD1-O 3.4Å; I430-Y480 HydrophobicContact CG2-CE1 4.09Å; I430-M493 HydrophobicContact CB-CE 4.16Å; I430-M493 HydrophobicContact CB-SD 4.17Å; I430-M493 HydrophobicContact CG2-CE 3.87Å; I430-M493 HydrophobicContact CG2-SD 4.29Å; I430-P508 HydrophobicContact CG2-CG 4.5Å
431	L	92.9	Very high	87.9	Confident	73 Å²	73	53 Å²	53	38%	0.382	26%	0.255	S	S	.	.			trans	-74	106.9	175.3	-67.7	171.6	0	0	0	110.1	V436 Y438 Y451 I474	L431-V436 HydrophobicContact CD2-CG1 4.18Å; L431-Y438 HydrophobicContact CD1-CD2 4.3Å; L431-Y438 HydrophobicContact CD1-CE2 3.4Å; L431-Y438 VanDerWaalsContact CD1-CE2 3.4Å; L431-Y438 HydrophobicContact CD2-CD2 4.21Å; L431-Y438 HydrophobicContact CD2-CE2 3.88Å; L431-Y438 HydrophobicContact CG-CE2 4.3Å; L431-Y451 HydrophobicContact CD2-CD1 4.4Å; L431-Y451 HydrophobicContact CD2-CE1 4.32Å; L431-I474 HydrophobicContact CD1-CG2 4.4Å; L431-I474 HydrophobicContact CD2-CD1 3.92Å; L431-I474 HydrophobicContact CD2-CG1 4.49Å; L431-I474 HydrophobicContact CG-CD1 4.05Å; L431-I474 HydrophobicContact CG-CG1 4.38Å; L431-I474 HydrophobicContact CG-CG2 4.19Å
432	E	91.5	Very high	89.7	Confident	22 Å²	22	50.8 Å²	50.8	10%	0.103	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-153.5	124.8	178.3	-171.2	166.8	-147.9	0	0	110.3	I430 Y435 V436 Y480 P508 T718 M740	I430-E432 PolarHBondContact O-N 3.27Å; E432-Y435 HydrophobicContact CB-CD2 4.27Å; E432-Y435 HydrophobicContact CG-CD2 4.04Å; E432-Y435 HydrophobicContact CG-CE2 4.49Å; E432-Y435 CarbonylContact O-C 3.42Å; E432-Y435 WeakPolarHBondContact O-CA 3.32Å; E432-Y435 WeakPolarHBondContact O-CB 3.48Å; E432-Y435 PolarHBondContact O-N 3.49Å; E432-V436 CarbonylContact C-O 3.48Å; E432-V436 PolarHBondContact N-O 3.48Å; E432-V436 PolarHBondContact O-N 2.81Å; E432-Y480 PolarHBondContact OE1-OH 3.04Å; E432-Y480 VanDerWaalsContact OE1-OH 3.06Å; E432-Y480 PolarHBondContact OE2-OH 3.34Å; E432-P508 WeakPolarHBondContact OE2-CG 3.26Å; E432-T718 PolarHBondContact OE1-OG1 2.98Å; E432-M740 HydrophobicContact CG-CE 3.84Å
433	S	92.1	Very high	91.3	Very high	51 Å²	51	54.3 Å²	54.3	36%	0.357	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	136.8	178.1	-57.2	0	0	0	0	111.5	M437 M740	S433-M437 VanDerWaalsContact CB-SD 3.58Å; S433-M437 WeakPolarHBondContact OG-CG 3.21Å; S433-M437 PolarHBondContact OG-SD 2.76Å; S433-M740 WeakPolarHBondContact O-CE 3.24Å; S433-M740 VanDerWaalsContact O-SD 3.38Å
434	P	94.4	Very high	92.1	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	cis	-94.6	15.7	-1.6	37.5	-33.5	0	0	0	114	M437 G453 Y454 Y743 W798 W799	P434-M437 HydrophobicContact CB-CE 4.43Å; P434-G453 CarbonylContact O-C 3.58Å; P434-G453 VanDerWaalsContact O-CA 3.25Å; P434-G453 WeakPolarHBondContact O-CA 3.39Å; P434-Y454 PolarHBondContact O-N 3.34Å; P434-Y743 HydrophobicContact CB-CD2 4.01Å; P434-Y743 HydrophobicContact CB-CE2 3.39Å; P434-Y743 HydrophobicContact CG-CD2 3.49Å; P434-Y743 VanDerWaalsContact CG-CD2 3.49Å; P434-Y743 HydrophobicContact CG-CE2 3.45Å; P434-Y743 VanDerWaalsContact CG-CE2 3.45Å; P434-Y743 HydrophobicContact CG-CG 4.04Å; P434-W798 HydrophobicContact CB-CB 4.32Å; P434-W798 HydrophobicContact CB-CE3 4.4Å; P434-W799 HydrophobicContact CG-CD2 4.11Å; P434-W799 HydrophobicContact CG-CE3 4.03Å; P434-W799 HydrophobicContact CG-CH2 3.61Å; P434-W799 HydrophobicContact CG-CZ2 3.68Å; P434-W799 HydrophobicContact CG-CZ3 3.79Å
435	Y	95.1	Very high	92.4	Very high	1 Å²	1	54.4 Å²	54.4	0%	0.004	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-52.8	-175.3	-55.9	-79.2	0	0	0	112.5	E432 G453 Y454 C455 P508 T739 Y764 W799	E432-Y435 HydrophobicContact CB-CD2 4.27Å; E432-Y435 HydrophobicContact CG-CD2 4.04Å; E432-Y435 HydrophobicContact CG-CE2 4.49Å; E432-Y435 CarbonylContact O-C 3.42Å; E432-Y435 WeakPolarHBondContact O-CA 3.32Å; E432-Y435 WeakPolarHBondContact O-CB 3.48Å; E432-Y435 PolarHBondContact O-N 3.49Å; Y435-G453 CarbonylContact O-C 3.53Å; Y435-G453 VanDerWaalsContact O-CA 3.27Å; Y435-G453 WeakPolarHBondContact O-CA 3.33Å; Y435-Y454 HydrophobicContact CD1-CD1 4.42Å; Y435-Y454 PolarHBondContact O-N 3.28Å; Y435-Y454 VanDerWaalsContact O-N 3.08Å; Y435-C455 WeakPolarHBondContact O-CB 3.23Å; Y435-C455 PolarHBondContact O-N 3.05Å; Y435-P508 HydrophobicContact CD1-CB 3.97Å; Y435-P508 HydrophobicContact CD1-CG 4.17Å; Y435-P508 HydrophobicContact CD2-CB 4.05Å; Y435-P508 HydrophobicContact CD2-CG 3.71Å; Y435-P508 HydrophobicContact CE1-CB 3.9Å; Y435-P508 HydrophobicContact CE2-CB 3.98Å; Y435-P508 HydrophobicContact CE2-CG 4.08Å; Y435-P508 HydrophobicContact CG-CB 4.04Å; Y435-P508 HydrophobicContact CG-CG 3.74Å; Y435-T739 VanDerWaalsContact OH-CB 3.29Å; Y435-T739 WeakPolarHBondContact OH-CB 3.45Å; Y435-T739 PolarHBondContact OH-OG1 3.48Å; Y435-Y764 HydrophobicContact CE1-CD2 4.41Å; Y435-Y764 AromaticContact CE1-CE2 3.87Å; Y435-Y764 HydrophobicContact CE1-CE2 3.87Å; Y435-Y764 AromaticContact CZ-CE2 3.83Å; Y435-Y764 WeakPolarHBondContact OH-CE2 3.41Å; Y435-Y764 PolarHBondContact OH-OH 2.71Å; Y435-W799 HydrophobicContact CD1-CH2 4.04Å; Y435-W799 AromaticContact CE1-CH2 3.53Å; Y435-W799 HydrophobicContact CE1-CH2 3.53Å; Y435-W799 AromaticContact CE1-CZ2 3.89Å; Y435-W799 HydrophobicContact CE1-CZ2 3.89Å; Y435-W799 AromaticContact CZ-CH2 3.96Å; Y435-W799 AromaticContact CZ-CZ2 3.83Å
436	V	96.2	Very high	92.2	Very high	2 Å²	2	61.9 Å²	61.9	1%	0.012	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-144	123.4	175.7	-173.9	0	0	0	0	109	T429 I430 L431 E432 Y451 C455 V456	T429-V436 HydrophobicContact CG2-CG1 4.21Å; T429-V436 HydrophobicContact CG2-CG2 3.95Å; T429-V436 WeakPolarHBondContact OG1-CG2 3.46Å; I430-V436 WeakPolarHBondContact O-CB 3.2Å; L431-V436 HydrophobicContact CD2-CG1 4.18Å; E432-V436 CarbonylContact C-O 3.48Å; E432-V436 PolarHBondContact N-O 3.48Å; E432-V436 PolarHBondContact O-N 2.81Å; V436-Y451 HydrophobicContact CG1-CD1 4.13Å; V436-Y451 HydrophobicContact CG1-CG 4.4Å; V436-C455 HydrophobicContact CG2-CB 3.78Å; V436-V456 HydrophobicContact CG1-CG2 4.16Å; V436-V456 HydrophobicContact CG2-CG2 4.3Å
437	M	94.2	Very high	92.1	Very high	33 Å²	33	62.2 Å²	62.2	16%	0.163	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	155.7	-178.3	-59.2	180	-67.1	0	0	109.3	S433 P434 Y451 E452 W798	S433-M437 VanDerWaalsContact CB-SD 3.58Å; S433-M437 WeakPolarHBondContact OG-CG 3.21Å; S433-M437 PolarHBondContact OG-SD 2.76Å; P434-M437 HydrophobicContact CB-CE 4.43Å; M437-Y451 CarbonylContact O-C 3.35Å; M437-Y451 WeakPolarHBondContact O-CA 3.5Å; M437-E452 HydrophobicContact CB-CG 4.37Å; M437-E452 PolarHBondContact N-O 2.92Å; M437-E452 PolarHBondContact O-N 2.9Å; M437-W798 HydrophobicContact CE-CE3 4.08Å; M437-W798 HydrophobicContact CE-CZ3 3.59Å
438	Y	93.3	Very high	91.8	Very high	105 Å²	105	64 Å²	64	41%	0.412	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	137.6	166.5	-72.3	-67.4	0	0	0	110.1	L431 H442 Y451	L431-Y438 HydrophobicContact CD1-CD2 4.3Å; L431-Y438 HydrophobicContact CD1-CE2 3.4Å; L431-Y438 VanDerWaalsContact CD1-CE2 3.4Å; L431-Y438 HydrophobicContact CD2-CD2 4.21Å; L431-Y438 HydrophobicContact CD2-CE2 3.88Å; L431-Y438 HydrophobicContact CG-CE2 4.3Å; Y438-H442 HydrophobicContact CD1-CB 4.09Å; Y438-Y451 HydrophobicContact CD1-CD1 4.05Å; Y438-Y451 AromaticContact CD1-CE1 3.9Å; Y438-Y451 HydrophobicContact CD1-CE1 3.9Å; Y438-Y451 AromaticContact CE1-CD1 3.98Å; Y438-Y451 HydrophobicContact CE1-CD1 3.98Å; Y438-Y451 AromaticContact CE1-CE1 3.34Å; Y438-Y451 HydrophobicContact CE1-CE1 3.34Å; Y438-Y451 AromaticContact CZ-CE1 4Å
439	K	92.9	Very high	91.6	Very high	59 Å²	59	69.8 Å²	69.8	26%	0.257	34%	0.341	S	S	.	.			trans	-65.4	152.7	165.1	-70.2	-170.6	-174.4	161.2	0	110	N441 H442 L445 E449 R450 E452	K439-N441 PolarHBondContact O-N 3.08Å; K439-N441 VanDerWaalsContact O-N 3.13Å; K439-H442 WeakPolarHBondContact O-CB 3.48Å; K439-H442 PolarHBondContact O-CD2 3.17Å; K439-H442 VanDerWaalsContact O-CD2 3.26Å; K439-H442 PolarHBondContact O-N 3.49Å; K439-H442 VanDerWaalsContact O-N 3.1Å; K439-L445 HydrophobicContact CD-CD1 3.88Å; K439-E449 WeakPolarHBondContact CD-O 3.49Å; K439-E449 WeakPolarHBondContact CE-O 3.49Å; K439-E449 PolarHBondContact NZ-O 2.98Å; K439-R450 PolarHBondContact N-O 2.98Å; K439-E452 HydrophobicContact CG-CB 3.78Å; K439-E452 HydrophobicContact CG-CG 3.75Å
440	K	89.4	Confident	91.5	Very high	217 Å²	217	73.8 Å²	73.8	94%	0.943	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-29.5	177.4	-66.4	-176	177.9	-179.1	0	113.6
441	N	92	Very high	91.6	Very high	72 Å²	72	73.8 Å²	73.8	39%	0.385	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	30.2	179.1	63.1	-27.2	0	0	0	113.1	K439 E443 Q444	K439-N441 PolarHBondContact O-N 3.08Å; K439-N441 VanDerWaalsContact O-N 3.13Å; N441-E443 PolarHBondContact O-N 3.02Å; N441-E443 VanDerWaalsContact O-N 3.12Å; N441-Q444 PolarHBondContact O-N 3.39Å; N441-Q444 VanDerWaalsContact O-N 3.11Å
442	H	86.8	Confident	91.7	Very high	65 Å²	65	73.3 Å²	73.3	30%	0.301	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-23.7	-174.7	69.4	78.2	0	0	0	114.7	Y438 K439 Q444 R450	Y438-H442 HydrophobicContact CD1-CB 4.09Å; K439-H442 WeakPolarHBondContact O-CB 3.48Å; K439-H442 PolarHBondContact O-CD2 3.17Å; K439-H442 VanDerWaalsContact O-CD2 3.26Å; K439-H442 PolarHBondContact O-N 3.49Å; K439-H442 VanDerWaalsContact O-N 3.1Å; H442-Q444 VanDerWaalsContact C-N 3.31Å; H442-R450 HydrophobicContact CB-CB 4.28Å
443	E	87.5	Confident	91.9	Very high	173 Å²	173	72.2 Å²	72.2	81%	0.808	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-25.6	178.9	-60.6	-173.1	162.3	0	0	112.7	N441	N441-E443 PolarHBondContact O-N 3.02Å; N441-E443 VanDerWaalsContact O-N 3.12Å
444	Q	88.1	Confident	92.1	Very high	166 Å²	166	69.9 Å²	69.9	78%	0.776	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-11	-179.8	-63	176.1	-4.6	0	0	112.8	N441 H442	N441-Q444 PolarHBondContact O-N 3.39Å; N441-Q444 VanDerWaalsContact O-N 3.11Å; H442-Q444 VanDerWaalsContact C-N 3.31Å
445	L	88.3	Confident	92.2	Very high	36 Å²	36	70 Å²	70	19%	0.188	33%	0.33	C	S	.	.			trans	-105.7	147.7	-176.9	-62.5	174.8	0	0	0	109.6	K439 E449 R450	K439-L445 HydrophobicContact CD-CD1 3.88Å; L445-E449 HydrophobicContact CB-CB 4.37Å; L445-E449 HydrophobicContact CD1-CB 4.46Å; L445-E449 WeakPolarHBondContact CD1-O 3.41Å; L445-R450 HydrophobicContact CB-CG 4.01Å; L445-R450 WeakPolarHBondContact O-CD 3.27Å; L445-R450 WeakPolarHBondContact O-CG 3.47Å
446	E	87.1	Confident	92.3	Very high	173 Å²	173	70.7 Å²	70.7	81%	0.808	33%	0.334	S	S	*	.			trans	-113.5	154.9	177.4	-68.1	-167.4	169.2	0	0	112.2	N448	E446-N448 PolarHBondContact O-N 3.37Å
447	G	89.1	Confident	92.3	Very high	37 Å²	37	72.4 Å²	72.4	38%	0.381	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	66.3	-131.8	174.8	0	0	0	0	0	114.2	E449 R450	G447-E449 VanDerWaalsContact C-N 3.34Å; G447-R450 PolarHBondContact O-NE 3.3Å
448	N	91.7	Very high	92.4	Very high	42 Å²	42	70.9 Å²	70.9	23%	0.225	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-73.8	-24.8	-174.2	-65.4	-15.9	0	0	0	112.7	E446 R450 Y451 Y470 K471 L472	E446-N448 PolarHBondContact O-N 3.37Å; N448-R450 PolarHBondContact O-N 2.92Å; N448-Y451 PolarHBondContact O-N 3.23Å; N448-Y470 PolarHBondContact ND2-O 3.33Å; N448-K471 WeakPolarHBondContact OD1-CA 3.2Å; N448-L472 HydrophobicContact CB-CD1 4.32Å; N448-L472 PolarHBondContact OD1-N 3.33Å
449	E	91.4	Very high	92.5	Very high	121 Å²	121	66.1 Å²	66.1	57%	0.565	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-70.5	-14.6	-173.6	-62.6	-166.3	163.9	0	0	113.6	K439 L445 G447 Y451	K439-E449 WeakPolarHBondContact CD-O 3.49Å; K439-E449 WeakPolarHBondContact CE-O 3.49Å; K439-E449 PolarHBondContact NZ-O 2.98Å; L445-E449 HydrophobicContact CB-CB 4.37Å; L445-E449 HydrophobicContact CD1-CB 4.46Å; L445-E449 WeakPolarHBondContact CD1-O 3.41Å; G447-E449 VanDerWaalsContact C-N 3.34Å; E449-Y451 PolarHBondContact O-N 3.34Å
450	R	93.2	Very high	92.6	Very high	87 Å²	87	69.6 Å²	69.6	33%	0.328	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-64.6	-24	175.5	-62.7	-175.2	-62.4	169.8	7.4	113.3	K439 H442 L445 G447 N448	K439-R450 PolarHBondContact N-O 2.98Å; H442-R450 HydrophobicContact CB-CB 4.28Å; L445-R450 HydrophobicContact CB-CG 4.01Å; L445-R450 WeakPolarHBondContact O-CD 3.27Å; L445-R450 WeakPolarHBondContact O-CG 3.47Å; G447-R450 PolarHBondContact O-NE 3.3Å; N448-R450 PolarHBondContact O-N 2.92Å
451	Y	95.3	Very high	92.8	Very high	14 Å²	14	61 Å²	61	6%	0.055	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	148.9	-175.5	-53	-72.3	0	0	0	111	L431 V436 M437 Y438 N448 E449 L472 I474	L431-Y451 HydrophobicContact CD2-CD1 4.4Å; L431-Y451 HydrophobicContact CD2-CE1 4.32Å; V436-Y451 HydrophobicContact CG1-CD1 4.13Å; V436-Y451 HydrophobicContact CG1-CG 4.4Å; M437-Y451 CarbonylContact O-C 3.35Å; M437-Y451 WeakPolarHBondContact O-CA 3.5Å; Y438-Y451 HydrophobicContact CD1-CD1 4.05Å; Y438-Y451 AromaticContact CD1-CE1 3.9Å; Y438-Y451 HydrophobicContact CD1-CE1 3.9Å; Y438-Y451 AromaticContact CE1-CD1 3.98Å; Y438-Y451 HydrophobicContact CE1-CD1 3.98Å; Y438-Y451 AromaticContact CE1-CE1 3.34Å; Y438-Y451 HydrophobicContact CE1-CE1 3.34Å; Y438-Y451 AromaticContact CZ-CE1 4Å; N448-Y451 PolarHBondContact O-N 3.23Å; E449-Y451 PolarHBondContact O-N 3.34Å; Y451-L472 HydrophobicContact CD2-CB 4.03Å; Y451-L472 HydrophobicContact CD2-CD1 3.9Å; Y451-L472 HydrophobicContact CE2-CB 4.18Å; Y451-L472 HydrophobicContact CG-CD1 4.39Å; Y451-I474 HydrophobicContact CD1-CD1 4.41Å; Y451-I474 HydrophobicContact CE1-CD1 3.82Å; Y451-I474 HydrophobicContact CE1-CG1 3.94Å
452	E	95.4	Very high	92.9	Very high	63 Å²	63	57.8 Å²	57.8	29%	0.294	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	151.2	169.8	66.2	174.1	-177.5	0	0	110.4	M437 K439 W798	M437-E452 HydrophobicContact CB-CG 4.37Å; M437-E452 PolarHBondContact N-O 2.92Å; M437-E452 PolarHBondContact O-N 2.9Å; K439-E452 HydrophobicContact CG-CB 3.78Å; K439-E452 HydrophobicContact CG-CG 3.75Å; E452-W798 HydrophobicContact CB-CH2 4.07Å; E452-W798 HydrophobicContact CG-CH2 4.35Å
453	G	95.6	Very high	93.2	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.265	C	S	.	.	S	Bend	trans	149.8	176.9	177.4	0	0	0	0	0	113	P434 Y435 C455 V456 D457 W798	P434-G453 CarbonylContact O-C 3.58Å; P434-G453 VanDerWaalsContact O-CA 3.25Å; P434-G453 WeakPolarHBondContact O-CA 3.39Å; Y435-G453 CarbonylContact O-C 3.53Å; Y435-G453 VanDerWaalsContact O-CA 3.27Å; Y435-G453 WeakPolarHBondContact O-CA 3.33Å; G453-C455 PolarHBondContact O-N 3.41Å; G453-V456 WeakPolarHBondContact O-CB 3.14Å; G453-V456 PolarHBondContact O-N 3.32Å; G453-D457 PolarHBondContact O-N 3.18Å; G453-W798 VanDerWaalsContact C-CZ2 3.48Å; G453-W798 VanDerWaalsContact CA-CH2 3.41Å; G453-W798 VanDerWaalsContact CA-CZ2 3.44Å
454	Y	96.4	Very high	93.4	Very high	1 Å²	1	52.8 Å²	52.8	0%	0.004	25%	0.253	C	S	.	.	H	α-helix	trans	-58.8	-45.3	179.9	179.2	-86.5	0	0	0	112.6	P434 Y435 V456 D457 L458 F525 M526 L794 K795 W799	P434-Y454 PolarHBondContact O-N 3.34Å; Y435-Y454 HydrophobicContact CD1-CD1 4.42Å; Y435-Y454 PolarHBondContact O-N 3.28Å; Y435-Y454 VanDerWaalsContact O-N 3.08Å; Y454-V456 VanDerWaalsContact C-N 3.29Å; Y454-V456 PolarHBondContact O-N 3.04Å; Y454-D457 PolarHBondContact O-N 2.72Å; Y454-L458 HydrophobicContact CE1-CD2 4.1Å; Y454-L458 VanDerWaalsContact O-CB 3.3Å; Y454-L458 WeakPolarHBondContact O-CB 3.23Å; Y454-L458 PolarHBondContact O-N 3.16Å; Y454-F525 HydrophobicContact CD1-CE2 4.48Å; Y454-F525 AromaticContact CE1-CD2 3.91Å; Y454-F525 HydrophobicContact CE1-CD2 3.91Å; Y454-F525 AromaticContact CE1-CE2 3.61Å; Y454-F525 HydrophobicContact CE1-CE2 3.61Å; Y454-M526 HydrophobicContact CD1-CE 4.5Å; Y454-M526 HydrophobicContact CD2-CE 4.46Å; Y454-M526 HydrophobicContact CE1-CE 3.89Å; Y454-M526 HydrophobicContact CE2-CE 3.82Å; Y454-L794 HydrophobicContact CD2-CB 3.87Å; Y454-L794 HydrophobicContact CE2-CB 3.53Å; Y454-K795 HydrophobicContact CE2-CB 4.39Å; Y454-W799 AromaticContact CD2-CZ3 3.73Å; Y454-W799 HydrophobicContact CD2-CZ3 3.73Å; Y454-W799 HydrophobicContact CE2-CZ3 4.46Å; Y454-W799 HydrophobicContact CG-CH2 4.33Å; Y454-W799 AromaticContact CG-CZ3 3.88Å; Y454-W799 HydrophobicContact CG-CZ3 3.88Å
455	C	96.7	Very high	93.5	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.014	23%	0.23	C	C	.	.	H	α-helix	trans	-72.2	-25	180	-72.1	0	0	0	0	112.3	Y435 V436 G453 A459 V506	Y435-C455 WeakPolarHBondContact O-CB 3.23Å; Y435-C455 PolarHBondContact O-N 3.05Å; V436-C455 HydrophobicContact CG2-CB 3.78Å; G453-C455 PolarHBondContact O-N 3.41Å; C455-A459 WeakPolarHBondContact O-CB 3.33Å; C455-A459 PolarHBondContact O-N 3.11Å; C455-V506 HydrophobicContact CB-CG1 4.26Å
456	V	96.8	Very high	93.5	Very high	17 Å²	17	47.8 Å²	47.8	10%	0.103	23%	0.23	C	C	.	.	H	α-helix	trans	-69.6	-48.4	174.2	-178.7	0	0	0	0	110.1	V436 G453 Y454 L458 A459 Y460 L472	V436-V456 HydrophobicContact CG1-CG2 4.16Å; V436-V456 HydrophobicContact CG2-CG2 4.3Å; G453-V456 WeakPolarHBondContact O-CB 3.14Å; G453-V456 PolarHBondContact O-N 3.32Å; Y454-V456 VanDerWaalsContact C-N 3.29Å; Y454-V456 PolarHBondContact O-N 3.04Å; V456-L458 VanDerWaalsContact C-N 3.34Å; V456-L458 PolarHBondContact O-N 2.87Å; V456-A459 PolarHBondContact O-N 2.64Å; V456-Y460 PolarHBondContact O-N 2.88Å; V456-L472 HydrophobicContact CG1-CD1 4.18Å; V456-L472 HydrophobicContact CG2-CD1 4.28Å
457	D	96.4	Very high	93.5	Very high	38 Å²	38	49.6 Å²	49.6	20%	0.203	23%	0.23	C	C	.	.	H	α-helix	trans	-63	-41.5	175.3	-71.2	-10.8	0	0	0	111.1	G453 Y454 Y460 E461 L794 K797 W798	G453-D457 PolarHBondContact O-N 3.18Å; Y454-D457 PolarHBondContact O-N 2.72Å; D457-Y460 WeakPolarHBondContact O-CB 3.47Å; D457-Y460 PolarHBondContact O-N 2.63Å; D457-E461 PolarHBondContact O-N 3.46Å; D457-L794 HydrophobicContact CB-CD1 4.33Å; D457-L794 HydrophobicContact CB-CD2 3.78Å; D457-K797 IonicContact OD1-NZ 3.94Å; D457-K797 IonicContact OD2-NZ 2.63Å; D457-K797 PolarHBondContact OD2-NZ 3.28Å; D457-W798 WeakPolarHBondContact OD2-CZ2 3.42Å; D457-W798 PolarHBondContact OD2-NE1 3.5Å
458	L	96.1	Very high	93.4	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-63.2	-45	176.5	180	61.9	0	0	0	112.1	Y454 V456 Y460 E461 I462 V506 F525 L785 L791	Y454-L458 HydrophobicContact CE1-CD2 4.1Å; Y454-L458 VanDerWaalsContact O-CB 3.3Å; Y454-L458 WeakPolarHBondContact O-CB 3.23Å; Y454-L458 PolarHBondContact O-N 3.16Å; V456-L458 VanDerWaalsContact C-N 3.34Å; V456-L458 PolarHBondContact O-N 2.87Å; L458-Y460 VanDerWaalsContact C-N 3.27Å; L458-Y460 PolarHBondContact O-N 2.95Å; L458-E461 PolarHBondContact O-N 2.83Å; L458-I462 HydrophobicContact CD1-CD1 4.02Å; L458-I462 HydrophobicContact CD1-CG1 4.23Å; L458-I462 HydrophobicContact CG-CD1 3.87Å; L458-I462 HydrophobicContact CG-CG1 4.47Å; L458-I462 VanDerWaalsContact O-CG1 3.32Å; L458-I462 WeakPolarHBondContact O-CG1 3.39Å; L458-I462 PolarHBondContact O-N 3.22Å; L458-V506 HydrophobicContact CD2-CG1 4.12Å; L458-V506 HydrophobicContact CG-CG1 4.29Å; L458-F525 HydrophobicContact CD2-CD1 4.18Å; L458-F525 HydrophobicContact CD2-CD2 3.98Å; L458-F525 HydrophobicContact CD2-CE1 4.23Å; L458-F525 HydrophobicContact CD2-CE2 4.08Å; L458-F525 HydrophobicContact CD2-CG 4.05Å; L458-F525 HydrophobicContact CD2-CZ 4.19Å; L458-L785 HydrophobicContact CD1-CD1 3.88Å; L458-L791 HydrophobicContact CD1-CD2 3.7Å
459	A	95.4	Very high	93.3	Very high	5 Å²	5	53 Å²	53	4%	0.041	23%	0.234	C	C	.	.	H	α-helix	trans	-61.4	-38.5	177.1	0	0	0	0	0	111.5	C455 V456 A463 Y470 L472 V506	C455-A459 WeakPolarHBondContact O-CB 3.33Å; C455-A459 PolarHBondContact O-N 3.11Å; V456-A459 PolarHBondContact O-N 2.64Å; A459-A463 WeakPolarHBondContact O-CB 3.3Å; A459-A463 PolarHBondContact O-N 3.25Å; A459-Y470 HydrophobicContact CB-CE2 4.28Å; A459-L472 HydrophobicContact CB-CD2 4.43Å; A459-V506 HydrophobicContact CB-CB 4.39Å; A459-V506 HydrophobicContact CB-CG1 4.18Å; A459-V506 HydrophobicContact CB-CG2 4.43Å
460	Y	95.6	Very high	93.4	Very high	132 Å²	132	49.1 Å²	49.1	52%	0.518	21%	0.214	S	C	.	.	H	α-helix	trans	-62.2	-46.8	174.7	176.8	-99.4	0	0	0	112.3	V456 D457 L458 A463 K464	V456-Y460 PolarHBondContact O-N 2.88Å; D457-Y460 WeakPolarHBondContact O-CB 3.47Å; D457-Y460 PolarHBondContact O-N 2.63Å; L458-Y460 VanDerWaalsContact C-N 3.27Å; L458-Y460 PolarHBondContact O-N 2.95Å; Y460-A463 PolarHBondContact O-N 2.85Å; Y460-K464 WeakPolarHBondContact O-CB 3.34Å; Y460-K464 PolarHBondContact O-N 3.39Å
461	E	95	Very high	93.4	Very high	37 Å²	37	50.9 Å²	50.9	17%	0.173	22%	0.224	C	C	.	.	H	α-helix	trans	-68.3	-39.9	179.3	-68	-65.4	170.8	0	0	112.3	D457 L458 A463 K464 H465 L785 L790	D457-E461 PolarHBondContact O-N 3.46Å; L458-E461 PolarHBondContact O-N 2.83Å; E461-A463 PolarHBondContact O-N 2.93Å; E461-K464 PolarHBondContact O-N 2.8Å; E461-K464 IonicContact OE2-NZ 3.48Å; E461-H465 PolarHBondContact O-CD2 3.38Å; E461-H465 VanDerWaalsContact O-CD2 3.27Å; E461-H465 PolarHBondContact O-N 2.79Å; E461-L785 HydrophobicContact CB-CD1 3.98Å; E461-L785 HydrophobicContact CB-CD2 4.2Å; E461-L790 HydrophobicContact CB-CD2 4.26Å; E461-L790 HydrophobicContact CG-CD2 3.67Å
462	I	93.9	Very high	93.4	Very high	4 Å²	4	50.7 Å²	50.7	2%	0.021	22%	0.224	C	C	.	.	H	α-helix	trans	-60.6	-47.2	172.7	-68	170.8	0	0	0	110.1	L458 K464 H465 V466 V766 V778 V782 L785	L458-I462 HydrophobicContact CD1-CD1 4.02Å; L458-I462 HydrophobicContact CD1-CG1 4.23Å; L458-I462 HydrophobicContact CG-CD1 3.87Å; L458-I462 HydrophobicContact CG-CG1 4.47Å; L458-I462 VanDerWaalsContact O-CG1 3.32Å; L458-I462 WeakPolarHBondContact O-CG1 3.39Å; L458-I462 PolarHBondContact O-N 3.22Å; I462-K464 VanDerWaalsContact C-N 3.31Å; I462-K464 PolarHBondContact O-N 2.9Å; I462-H465 PolarHBondContact O-N 2.88Å; I462-V466 HydrophobicContact CG2-CG2 4.2Å; I462-V466 WeakPolarHBondContact O-CB 3.44Å; I462-V466 VanDerWaalsContact O-CG2 3.31Å; I462-V466 WeakPolarHBondContact O-CG2 3.4Å; I462-V466 PolarHBondContact O-N 3.18Å; I462-V766 HydrophobicContact CD1-CG2 3.88Å; I462-V778 HydrophobicContact CG2-CG1 4.42Å; I462-V778 HydrophobicContact CG2-CG2 4.2Å; I462-V782 HydrophobicContact CD1-CG2 4.2Å; I462-L785 HydrophobicContact CG1-CD1 4.21Å
463	A	92.4	Very high	93.3	Very high	7 Å²	7	49.8 Å²	49.8	6%	0.058	22%	0.224	C	C	.	.	H	α-helix	trans	-62.5	-38	179.7	0	0	0	0	0	112.5	A459 Y460 E461 R467 I468 Y470	A459-A463 WeakPolarHBondContact O-CB 3.3Å; A459-A463 PolarHBondContact O-N 3.25Å; Y460-A463 PolarHBondContact O-N 2.85Å; E461-A463 PolarHBondContact O-N 2.93Å; A463-R467 VanDerWaalsContact O-CA 3.28Å; A463-R467 WeakPolarHBondContact O-CA 3.48Å; A463-R467 PolarHBondContact O-N 3.14Å; A463-I468 HydrophobicContact CB-CG1 4.1Å; A463-I468 PolarHBondContact O-N 2.8Å; A463-I468 VanDerWaalsContact O-N 3.09Å; A463-Y470 HydrophobicContact CB-CD1 3.36Å; A463-Y470 HydrophobicContact CB-CE1 3.52Å; A463-Y470 HydrophobicContact CB-CG 4.34Å
464	K	92.3	Very high	93.3	Very high	126 Å²	126	51.9 Å²	51.9	55%	0.548	24%	0.235	S	C	.	.	H	α-helix	trans	-65.1	-41.5	175.2	-178.8	-177.2	172.6	-168.2	0	112.2	Y460 E461 I462	Y460-K464 WeakPolarHBondContact O-CB 3.34Å; Y460-K464 PolarHBondContact O-N 3.39Å; E461-K464 PolarHBondContact O-N 2.8Å; E461-K464 IonicContact OE2-NZ 3.48Å; I462-K464 VanDerWaalsContact C-N 3.31Å; I462-K464 PolarHBondContact O-N 2.9Å
465	H	88.7	Confident	93.2	Very high	64 Å²	64	52.1 Å²	52.1	30%	0.296	24%	0.237	S	C	.	.	H	α-helix	trans	-70.2	-41.9	177.6	-88.9	-77.1	0	0	0	113	E461 I462 R467 A781	E461-H465 PolarHBondContact O-CD2 3.38Å; E461-H465 VanDerWaalsContact O-CD2 3.27Å; E461-H465 PolarHBondContact O-N 2.79Å; I462-H465 PolarHBondContact O-N 2.88Å; H465-R467 VanDerWaalsContact C-N 3.34Å; H465-A781 HydrophobicContact CB-CB 3.94Å
466	V	88.4	Confident	92.8	Very high	33 Å²	33	55.5 Å²	55.5	20%	0.2	27%	0.272	C	S	.	.	H	α-helix	trans	-84.1	-12	-178.4	-175.8	0	0	0	0	111.9	I462 I468 A777 A781	I462-V466 HydrophobicContact CG2-CG2 4.2Å; I462-V466 WeakPolarHBondContact O-CB 3.44Å; I462-V466 VanDerWaalsContact O-CG2 3.31Å; I462-V466 WeakPolarHBondContact O-CG2 3.4Å; I462-V466 PolarHBondContact O-N 3.18Å; V466-I468 HydrophobicContact CB-CD1 4.48Å; V466-I468 HydrophobicContact CB-CG1 4.24Å; V466-I468 HydrophobicContact CG1-CD1 4.35Å; V466-I468 HydrophobicContact CG1-CG1 4.31Å; V466-I468 HydrophobicContact CG1-CG2 3.92Å; V466-A777 HydrophobicContact CG1-CB 4Å; V466-A777 HydrophobicContact CG2-CB 4.24Å; V466-A781 HydrophobicContact CG2-CB 4.13Å
467	R	87.8	Confident	92.4	Very high	212 Å²	212	58.1 Å²	58.1	80%	0.8	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	49.4	-178.1	-57.1	-178.9	179.5	179.9	-0.4	113.4	A463 H465	A463-R467 VanDerWaalsContact O-CA 3.28Å; A463-R467 WeakPolarHBondContact O-CA 3.48Å; A463-R467 PolarHBondContact O-N 3.14Å; H465-R467 VanDerWaalsContact C-N 3.34Å
468	I	86.2	Confident	92	Very high	37 Å²	37	58.7 Å²	58.7	19%	0.19	30%	0.3	C	S	.	.			trans	-117.3	145.4	-179.1	54.2	168.9	0	0	0	112.3	I425 A463 V466	I425-I468 HydrophobicContact CB-CD1 4.37Å; I425-I468 HydrophobicContact CG1-CB 4.2Å; I425-I468 HydrophobicContact CG1-CD1 4.02Å; I425-I468 HydrophobicContact CG2-CD1 4.45Å; A463-I468 HydrophobicContact CB-CG1 4.1Å; A463-I468 PolarHBondContact O-N 2.8Å; A463-I468 VanDerWaalsContact O-N 3.09Å; V466-I468 HydrophobicContact CB-CD1 4.48Å; V466-I468 HydrophobicContact CB-CG1 4.24Å; V466-I468 HydrophobicContact CG1-CD1 4.35Å; V466-I468 HydrophobicContact CG1-CG1 4.31Å; V466-I468 HydrophobicContact CG1-CG2 3.92Å
469	K	90.1	Very high	91.7	Very high	114 Å²	114	62.7 Å²	62.7	50%	0.496	32%	0.317	S	S	.	.			trans	-80.8	138.7	165.2	-68.2	176.9	-178.1	165.5	0	109	N422 T424 I425	N422-K469 PolarHBondContact OD1-NZ 2.96Å; T424-K469 WeakPolarHBondContact CA-O 3.39Å; I425-K469 PolarHBondContact N-O 3.06Å
470	Y	92.9	Very high	91.4	Very high	39 Å²	39	63.9 Å²	63.9	15%	0.153	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	156.1	-178.2	73.4	-82.4	0	0	0	112.8	I425 V427 N448 A459 A463 L472	I425-Y470 CarbonylContact O-C 3.5Å; I425-Y470 WeakPolarHBondContact O-CA 3.25Å; V427-Y470 HydrophobicContact CG2-CD2 3.91Å; V427-Y470 HydrophobicContact CG2-CG 4.21Å; N448-Y470 PolarHBondContact ND2-O 3.33Å; A459-Y470 HydrophobicContact CB-CE2 4.28Å; A463-Y470 HydrophobicContact CB-CD1 3.36Å; A463-Y470 HydrophobicContact CB-CE1 3.52Å; A463-Y470 HydrophobicContact CB-CG 4.34Å; Y470-L472 HydrophobicContact CD2-CD2 4.33Å; Y470-L472 HydrophobicContact CD2-CG 4.28Å; Y470-L472 HydrophobicContact CE2-CD1 4.45Å; Y470-L472 HydrophobicContact CE2-CD2 4.11Å; Y470-L472 HydrophobicContact CE2-CG 3.94Å
471	K	94.1	Very high	91	Very high	124 Å²	124	57.8 Å²	57.8	54%	0.539	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	125	172.1	178.5	175.2	177.2	178.1	0	109.2	T424 I425 V427 N448	T424-K471 HydrophobicContact CG2-CB 3.78Å; I425-K471 PolarHBondContact O-N 3Å; V427-K471 PolarHBondContact N-O 2.91Å; N448-K471 WeakPolarHBondContact OD1-CA 3.2Å
472	L	94.6	Very high	90.6	Very high	9 Å²	9	57.9 Å²	57.9	5%	0.047	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	131.3	172.6	-66	171.9	0	0	0	109.7	V427 N448 Y451 V456 A459 Y470	V427-L472 HydrophobicContact CB-CD2 4.05Å; V427-L472 HydrophobicContact CG1-CD2 3.87Å; N448-L472 HydrophobicContact CB-CD1 4.32Å; N448-L472 PolarHBondContact OD1-N 3.33Å; Y451-L472 HydrophobicContact CD2-CB 4.03Å; Y451-L472 HydrophobicContact CD2-CD1 3.9Å; Y451-L472 HydrophobicContact CE2-CB 4.18Å; Y451-L472 HydrophobicContact CG-CD1 4.39Å; V456-L472 HydrophobicContact CG1-CD1 4.18Å; V456-L472 HydrophobicContact CG2-CD1 4.28Å; A459-L472 HydrophobicContact CB-CD2 4.43Å; Y470-L472 HydrophobicContact CD2-CD2 4.33Å; Y470-L472 HydrophobicContact CD2-CG 4.28Å; Y470-L472 HydrophobicContact CE2-CD1 4.45Å; Y470-L472 HydrophobicContact CE2-CD2 4.11Å; Y470-L472 HydrophobicContact CE2-CG 3.94Å
473	S	94.6	Very high	90.2	Very high	44 Å²	44	63.5 Å²	63.5	31%	0.308	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	130.6	178	-172	0	0	0	0	108.9	V427 T428 T429	V427-S473 PolarHBondContact O-N 3.29Å; T428-S473 CarbonylContact C-O 3.56Å; T428-S473 WeakPolarHBondContact CA-O 3.31Å; T429-S473 PolarHBondContact N-O 3.24Å
474	I	95.1	Very high	89.7	Confident	45 Å²	45	66 Å²	66	23%	0.231	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	133	175.9	-55.8	-55.3	0	0	0	108.6	T429 L431 Y451 G476	T429-I474 HydrophobicContact CG2-CD1 3.77Å; T429-I474 WeakPolarHBondContact O-CA 3.4Å; L431-I474 HydrophobicContact CD1-CG2 4.4Å; L431-I474 HydrophobicContact CD2-CD1 3.92Å; L431-I474 HydrophobicContact CD2-CG1 4.49Å; L431-I474 HydrophobicContact CG-CD1 4.05Å; L431-I474 HydrophobicContact CG-CG1 4.38Å; L431-I474 HydrophobicContact CG-CG2 4.19Å; Y451-I474 HydrophobicContact CD1-CD1 4.41Å; Y451-I474 HydrophobicContact CE1-CD1 3.82Å; Y451-I474 HydrophobicContact CE1-CG1 3.94Å; I474-G476 PolarHBondContact O-N 2.81Å
475	V	94.7	Very high	89	Confident	6 Å²	6	65.1 Å²	65.1	4%	0.036	35%	0.346	C	S	.	.			trans	-55.6	132.3	176.5	64.9	0	0	0	0	111.3	T429 I430 D477 G478 M493	T429-V475 PolarHBondContact O-N 3.4Å; I430-V475 HydrophobicContact CB-CG1 4.1Å; I430-V475 HydrophobicContact CD1-CG1 4.42Å; I430-V475 HydrophobicContact CG1-CG1 4.1Å; V475-D477 WeakPolarHBondContact CG2-OD1 3.34Å; V475-D477 PolarHBondContact O-N 3.48Å; V475-G478 PolarHBondContact O-N 3.06Å; V475-M493 HydrophobicContact CB-CG 3.78Å; V475-M493 HydrophobicContact CG1-CG 4.13Å; V475-M493 HydrophobicContact CG2-CG 3.88Å
476	G	88.8	Confident	88.7	Confident	73 Å²	73	70.4 Å²	70.4	75%	0.753	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-32.5	-170	0	0	0	0	0	115.5	I474 E496	I474-G476 PolarHBondContact O-N 2.81Å; G476-E496 PolarHBondContact N-OE1 2.82Å
477	D	87.8	Confident	88.2	Confident	72 Å²	72	72.4 Å²	72.4	39%	0.385	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-1.4	-176.7	67.4	-0.5	0	0	0	114	V475 K479 G492	V475-D477 WeakPolarHBondContact CG2-OD1 3.34Å; V475-D477 PolarHBondContact O-N 3.48Å; D477-K479 VanDerWaalsContact C-N 3.27Å; D477-K479 PolarHBondContact O-N 2.84Å; D477-K479 PolarHBondContact OD1-N 3.36Å; D477-G492 WeakPolarHBondContact OD1-CA 3.34Å; D477-G492 WeakPolarHBondContact OD2-CA 3.39Å; D477-G492 PolarHBondContact OD2-N 2.89Å
478	G	88.4	Confident	87.9	Confident	49 Å²	49	68.9 Å²	68.9	51%	0.505	37%	0.374	S	S	.	.	S	Bend	trans	66	21.9	-178.4	0	0	0	0	0	114.8	I430 V475	I430-G478 WeakPolarHBondContact CD1-O 3.4Å; V475-G478 PolarHBondContact O-N 3.06Å
479	K	89.1	Confident	87.8	Confident	85 Å²	85	69.5 Å²	69.5	37%	0.37	38%	0.377	S	S	.	.			trans	-115.9	151.2	-178.3	-63.5	179.8	-175.9	-179.3	0	112.2	D477 G492 M493	D477-K479 VanDerWaalsContact C-N 3.27Å; D477-K479 PolarHBondContact O-N 2.84Å; D477-K479 PolarHBondContact OD1-N 3.36Å; K479-G492 WeakPolarHBondContact O-CA 3.19Å; K479-M493 PolarHBondContact O-N 2.68Å
480	Y	88.5	Confident	87.7	Confident	29 Å²	29	64.8 Å²	64.8	11%	0.114	36%	0.356	C	S	.	.			trans	-66.5	-41.4	174.2	-62.7	-84.8	0	0	0	112.7	I430 E432 M493 V494 P508 L509 L682	I430-Y480 HydrophobicContact CG2-CE1 4.09Å; E432-Y480 PolarHBondContact OE1-OH 3.04Å; E432-Y480 VanDerWaalsContact OE1-OH 3.06Å; E432-Y480 PolarHBondContact OE2-OH 3.34Å; Y480-M493 HydrophobicContact CD1-CE 3.55Å; Y480-M493 HydrophobicContact CE1-CE 4.33Å; Y480-M493 HydrophobicContact CG-CE 4.26Å; Y480-M493 WeakPolarHBondContact O-CB 3.38Å; Y480-M493 PolarHBondContact O-N 3.35Å; Y480-M493 VanDerWaalsContact O-N 3.14Å; Y480-V494 PolarHBondContact O-N 3.25Å; Y480-P508 HydrophobicContact CE1-CG 4.25Å; Y480-P508 WeakPolarHBondContact CE1-O 3.5Å; Y480-L509 HydrophobicContact CD1-CD1 4.46Å; Y480-L682 HydrophobicContact CE2-CD2 4.13Å
481	G	87.7	Confident	87.6	Confident	4 Å²	4	65.3 Å²	65.3	4%	0.041	36%	0.361	C	S	.	.			trans	125.6	119	-179	0	0	0	0	0	112.1	N491 R515	G481-N491 WeakPolarHBondContact CA-O 3.48Å; G481-N491 WeakPolarHBondContact CA-OD1 3.4Å; G481-R515 PolarHBondContact O-NE 2.91Å; G481-R515 PolarHBondContact O-NH2 3.37Å
482	A	86.3	Confident	87.5	Confident	40 Å²	40	59.4 Å²	59.4	33%	0.331	34%	0.336	S	S	.	.			trans	-134	151	174.6	0	0	0	0	0	109.1	N491	A482-N491 PolarHBondContact N-OD1 2.98Å; A482-N491 PolarHBondContact O-N 3.1Å; A482-N491 PolarHBondContact O-OD1 3.13Å; A482-N491 VanDerWaalsContact O-OD1 3.09Å
483	R	85.2	Confident	87.4	Confident	121 Å²	121	59 Å²	59	46%	0.457	33%	0.334	S	S	.	.	B	Isolated β-bridge	trans	-87	125.2	176.1	-168.5	179.5	-175.3	179.8	2.2	109.2	K488 W490	R483-K488 PolarHBondContact NE-O 2.99Å; R483-W490 HydrophobicContact CB-CD2 3.93Å; R483-W490 HydrophobicContact CB-CE3 4.1Å; R483-W490 HydrophobicContact CB-CH2 4.03Å; R483-W490 HydrophobicContact CB-CZ2 3.84Å; R483-W490 HydrophobicContact CB-CZ3 4.14Å; R483-W490 HydrophobicContact CG-CD2 4.38Å; R483-W490 HydrophobicContact CG-CZ2 4.36Å
484	D	82.9	Confident	87.4	Confident	61 Å²	61	56.9 Å²	56.9	33%	0.326	32%	0.319	S	S	.	.			trans	-65.9	126.4	170.4	-178.5	-16	0	0	0	109.7	E486 T487 K488 I489	D484-E486 VanDerWaalsContact C-N 3.31Å; D484-E486 PolarHBondContact O-N 3.26Å; D484-E486 PolarHBondContact OD1-N 3.2Å; D484-T487 VanDerWaalsContact CB-OG1 3.24Å; D484-T487 WeakPolarHBondContact CB-OG1 3.27Å; D484-T487 PolarHBondContact OD2-OG1 3.09Å; D484-K488 WeakPolarHBondContact O-CA 3.38Å; D484-K488 PolarHBondContact O-N 3.18Å; D484-I489 PolarHBondContact N-O 2.66Å
485	P	77.4	Confident	87.2	Confident	107 Å²	107	54.7 Å²	54.7	70%	0.695	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-30	-178.9	25.1	-34.1	0	0	0	114
486	E	81.6	Confident	87.1	Confident	174 Å²	174	55.2 Å²	55.2	81%	0.813	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-55.1	-177.3	-66	-173.4	179.7	0	0	111.2	D484 K488	D484-E486 VanDerWaalsContact C-N 3.31Å; D484-E486 PolarHBondContact O-N 3.26Å; D484-E486 PolarHBondContact OD1-N 3.2Å; E486-K488 VanDerWaalsContact C-N 3.34Å; E486-K488 PolarHBondContact O-N 3.43Å
487	T	78.8	Confident	87.2	Confident	76 Å²	76	51.8 Å²	51.8	47%	0.466	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-15.4	-175	65.3	0	0	0	0	113	D484 I489	D484-T487 VanDerWaalsContact CB-OG1 3.24Å; D484-T487 WeakPolarHBondContact CB-OG1 3.27Å; D484-T487 PolarHBondContact OD2-OG1 3.09Å; T487-I489 PolarHBondContact O-N 2.88Å; T487-I489 VanDerWaalsContact O-N 3.12Å; T487-I489 PolarHBondContact OG1-N 2.98Å
488	K	80.6	Confident	87.3	Confident	137 Å²	137	51 Å²	51	60%	0.596	27%	0.272	S	S	*	.			trans	58.8	13.4	-172.5	-65.8	177.5	178.3	178.4	0	114	R483 D484 E486	R483-K488 PolarHBondContact NE-O 2.99Å; D484-K488 WeakPolarHBondContact O-CA 3.38Å; D484-K488 PolarHBondContact O-N 3.18Å; E486-K488 VanDerWaalsContact C-N 3.34Å; E486-K488 PolarHBondContact O-N 3.43Å
489	I	84.8	Confident	87.2	Confident	50 Å²	50	50.5 Å²	50.5	26%	0.256	26%	0.255	S	S	.	.			trans	-81.8	136.7	179.9	-64.2	174.2	0	0	0	109.5	Q213 D484 T487 Y499	Q213-I489 HydrophobicContact CG-CG2 4.25Å; D484-I489 PolarHBondContact N-O 2.66Å; T487-I489 PolarHBondContact O-N 2.88Å; T487-I489 VanDerWaalsContact O-N 3.12Å; T487-I489 PolarHBondContact OG1-N 2.98Å; I489-Y499 HydrophobicContact CG2-CE2 4.34Å; I489-Y499 WeakPolarHBondContact CG2-OH 3.28Å
490	W	88.8	Confident	86.9	Confident	16 Å²	16	47.8 Å²	47.8	6%	0.061	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-86.6	130.7	171.2	-73.2	93.4	0	0	0	111.6	R483 V494 Y499 V514 R515 V518	R483-W490 HydrophobicContact CB-CD2 3.93Å; R483-W490 HydrophobicContact CB-CE3 4.1Å; R483-W490 HydrophobicContact CB-CH2 4.03Å; R483-W490 HydrophobicContact CB-CZ2 3.84Å; R483-W490 HydrophobicContact CB-CZ3 4.14Å; R483-W490 HydrophobicContact CG-CD2 4.38Å; R483-W490 HydrophobicContact CG-CZ2 4.36Å; W490-V494 HydrophobicContact CB-CG1 4.48Å; W490-V494 HydrophobicContact CD2-CG1 3.85Å; W490-V494 HydrophobicContact CE3-CB 4.02Å; W490-V494 HydrophobicContact CE3-CG1 3.54Å; W490-V494 HydrophobicContact CG-CG1 4.28Å; W490-V494 HydrophobicContact CZ3-CG1 4Å; W490-Y499 PolarHBondContact N-OH 2.95Å; W490-Y499 VanDerWaalsContact N-OH 3.13Å; W490-Y499 WeakPolarHBondContact O-CE2 3.48Å; W490-V514 HydrophobicContact CH2-CB 4.27Å; W490-V514 HydrophobicContact CH2-CG2 4.18Å; W490-V514 WeakPolarHBondContact CH2-O 3.32Å; W490-V514 VanDerWaalsContact CZ2-O 3.29Å; W490-V514 WeakPolarHBondContact CZ2-O 3.33Å; W490-R515 HydrophobicContact CH2-CG 4.18Å; W490-R515 HydrophobicContact CZ3-CG 4.19Å; W490-V518 HydrophobicContact CD2-CG2 4.4Å; W490-V518 HydrophobicContact CZ2-CG1 4.34Å; W490-V518 HydrophobicContact CZ2-CG2 3.88Å
491	N	89.6	Confident	86.8	Confident	49 Å²	49	51.8 Å²	51.8	26%	0.262	27%	0.266	S	S	.	.			trans	-100.2	-172.8	170	66.3	18.2	0	0	0	111.6	G481 A482 G495	G481-N491 WeakPolarHBondContact CA-O 3.48Å; G481-N491 WeakPolarHBondContact CA-OD1 3.4Å; A482-N491 PolarHBondContact N-OD1 2.98Å; A482-N491 PolarHBondContact O-N 3.1Å; A482-N491 PolarHBondContact O-OD1 3.13Å; A482-N491 VanDerWaalsContact O-OD1 3.09Å; N491-G495 PolarHBondContact O-N 3.31Å
492	G	91.4	Very high	87	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	62.2	-160.2	175.3	0	0	0	0	0	115.4	D477 K479 V494 G495 E496	D477-G492 WeakPolarHBondContact OD1-CA 3.34Å; D477-G492 WeakPolarHBondContact OD2-CA 3.39Å; D477-G492 PolarHBondContact OD2-N 2.89Å; K479-G492 WeakPolarHBondContact O-CA 3.19Å; G492-V494 VanDerWaalsContact C-N 3.26Å; G492-V494 PolarHBondContact O-N 3.4Å; G492-G495 PolarHBondContact O-N 2.93Å; G492-G495 VanDerWaalsContact O-N 3.15Å; G492-E496 PolarHBondContact O-N 3.12Å; G492-E496 VanDerWaalsContact O-N 3.11Å
493	M	94.2	Very high	87.2	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-60	-35.9	178.5	-63.6	-176.4	-74.7	0	0	112.2	T428 I430 V475 K479 Y480 G495 E496 L497 A507 L509	T428-M493 HydrophobicContact CG2-CB 4.24Å; T428-M493 HydrophobicContact CG2-CG 4.4Å; I430-M493 HydrophobicContact CB-CE 4.16Å; I430-M493 HydrophobicContact CB-SD 4.17Å; I430-M493 HydrophobicContact CG2-CE 3.87Å; I430-M493 HydrophobicContact CG2-SD 4.29Å; V475-M493 HydrophobicContact CB-CG 3.78Å; V475-M493 HydrophobicContact CG1-CG 4.13Å; V475-M493 HydrophobicContact CG2-CG 3.88Å; K479-M493 PolarHBondContact O-N 2.68Å; Y480-M493 HydrophobicContact CD1-CE 3.55Å; Y480-M493 HydrophobicContact CE1-CE 4.33Å; Y480-M493 HydrophobicContact CG-CE 4.26Å; Y480-M493 WeakPolarHBondContact O-CB 3.38Å; Y480-M493 PolarHBondContact O-N 3.35Å; Y480-M493 VanDerWaalsContact O-N 3.14Å; M493-G495 PolarHBondContact O-N 3.05Å; M493-E496 PolarHBondContact O-N 3.19Å; M493-L497 PolarHBondContact O-N 3.32Å; M493-A507 HydrophobicContact CE-CB 3.77Å; M493-A507 HydrophobicContact SD-CB 3.56Å; M493-A507 VanDerWaalsContact SD-CB 3.56Å; M493-L509 HydrophobicContact CE-CD1 4.3Å
494	V	93.6	Very high	87.7	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-60.3	-46.7	175.4	179.8	0	0	0	0	110.6	Y480 W490 G492 E496 L497 V498 L509 R515 V518 I519	Y480-V494 PolarHBondContact O-N 3.25Å; W490-V494 HydrophobicContact CB-CG1 4.48Å; W490-V494 HydrophobicContact CD2-CG1 3.85Å; W490-V494 HydrophobicContact CE3-CB 4.02Å; W490-V494 HydrophobicContact CE3-CG1 3.54Å; W490-V494 HydrophobicContact CG-CG1 4.28Å; W490-V494 HydrophobicContact CZ3-CG1 4Å; G492-V494 VanDerWaalsContact C-N 3.26Å; G492-V494 PolarHBondContact O-N 3.4Å; V494-E496 VanDerWaalsContact C-N 3.3Å; V494-E496 PolarHBondContact O-N 3.05Å; V494-L497 PolarHBondContact O-N 3.41Å; V494-V498 HydrophobicContact CG1-CG2 4.19Å; V494-V498 VanDerWaalsContact O-CG2 3.29Å; V494-V498 WeakPolarHBondContact O-CG2 3.4Å; V494-V498 PolarHBondContact O-N 3.37Å; V494-L509 HydrophobicContact CG2-CD1 4.44Å; V494-R515 HydrophobicContact CG2-CG 4.11Å; V494-V518 HydrophobicContact CG1-CG2 3.93Å; V494-I519 HydrophobicContact CB-CD1 4.46Å; V494-I519 HydrophobicContact CG1-CD1 4.06Å; V494-I519 HydrophobicContact CG1-CG1 4.42Å; V494-I519 HydrophobicContact CG2-CD1 4.03Å
495	G	90.9	Very high	88.3	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-63.6	-33.2	176.3	0	0	0	0	0	113.2	N491 G492 M493 L497 Y499	N491-G495 PolarHBondContact O-N 3.31Å; G492-G495 PolarHBondContact O-N 2.93Å; G492-G495 VanDerWaalsContact O-N 3.15Å; M493-G495 PolarHBondContact O-N 3.05Å; G495-L497 VanDerWaalsContact C-N 3.35Å; G495-L497 PolarHBondContact O-N 3.5Å; G495-Y499 WeakPolarHBondContact O-CB 3.16Å; G495-Y499 WeakPolarHBondContact O-CD2 3.31Å; G495-Y499 PolarHBondContact O-N 3.45Å
496	E	92.3	Very high	89.3	Confident	16 Å²	16	37.6 Å²	37.6	8%	0.075	19%	0.187	C	C	.	.	H	α-helix	trans	-64.1	-37.4	174.8	-71.9	-174.2	178.5	0	0	113	T428 G476 G492 M493 V494 G500 R501 A502	T428-E496 WeakPolarHBondContact CB-OE2 3.43Å; T428-E496 PolarHBondContact OG1-OE2 2.9Å; G476-E496 PolarHBondContact N-OE1 2.82Å; G492-E496 PolarHBondContact O-N 3.12Å; G492-E496 VanDerWaalsContact O-N 3.11Å; M493-E496 PolarHBondContact O-N 3.19Å; V494-E496 VanDerWaalsContact C-N 3.3Å; V494-E496 PolarHBondContact O-N 3.05Å; E496-G500 PolarHBondContact O-N 3.46Å; E496-R501 HydrophobicContact CB-CB 4.17Å; E496-R501 HydrophobicContact CG-CB 4.26Å; E496-R501 PolarHBondContact O-N 3.27Å; E496-A502 HydrophobicContact CB-CB 4.09Å; E496-A502 PolarHBondContact O-N 3.29Å; E496-A502 VanDerWaalsContact O-N 3.11Å
497	L	92.3	Very high	89.9	Confident	2 Å²	2	29.3 Å²	29.3	1%	0.01	15%	0.148	C	C	.	.	H	α-helix	trans	-74.5	-45.8	175	-62.9	-177.9	0	0	0	112.3	T428 M493 V494 G495 Y499 G500 A502 A505 I519 A767 P769	T428-L497 HydrophobicContact CG2-CD2 4.35Å; M493-L497 PolarHBondContact O-N 3.32Å; V494-L497 PolarHBondContact O-N 3.41Å; G495-L497 VanDerWaalsContact C-N 3.35Å; G495-L497 PolarHBondContact O-N 3.5Å; L497-Y499 VanDerWaalsContact C-N 3.28Å; L497-Y499 PolarHBondContact O-N 3.26Å; L497-G500 PolarHBondContact O-N 2.97Å; L497-A502 HydrophobicContact CD2-CB 4.06Å; L497-A505 HydrophobicContact CD1-CB 3.78Å; L497-A505 HydrophobicContact CD2-CB 4.35Å; L497-A505 HydrophobicContact CG-CB 4.29Å; L497-I519 HydrophobicContact CB-CG2 3.83Å; L497-I519 HydrophobicContact CD1-CD1 4.31Å; L497-I519 HydrophobicContact CD1-CG2 4.3Å; L497-A767 HydrophobicContact CD1-CB 3.63Å; L497-P769 HydrophobicContact CB-CG 4.36Å; L497-P769 HydrophobicContact CD2-CG 4.27Å
498	V	89.7	Confident	90.7	Very high	55 Å²	55	25.7 Å²	25.7	33%	0.333	13%	0.126	S	C	.	.	H	α-helix	trans	-59.8	-41.3	-179.4	172.1	0	0	0	0	111	V494 V518 I519	V494-V498 HydrophobicContact CG1-CG2 4.19Å; V494-V498 VanDerWaalsContact O-CG2 3.29Å; V494-V498 WeakPolarHBondContact O-CG2 3.4Å; V494-V498 PolarHBondContact O-N 3.37Å; V498-V518 HydrophobicContact CG2-CB 3.93Å; V498-V518 HydrophobicContact CG2-CG2 3.94Å; V498-I519 HydrophobicContact CG2-CG2 3.75Å
499	Y	86.1	Confident	91.3	Very high	38 Å²	38	19.1 Å²	19.1	15%	0.149	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	12.5	-178.4	-50.8	-50.5	0	0	0	113.8	Q213 K215 I489 W490 G495 L497 R501	Q213-Y499 HydrophobicContact CB-CD1 4.16Å; Q213-Y499 HydrophobicContact CB-CE1 3.81Å; Q213-Y499 HydrophobicContact CB-CE2 4.38Å; Q213-Y499 HydrophobicContact CG-CD2 4.47Å; Q213-Y499 HydrophobicContact CG-CE1 4.33Å; Q213-Y499 HydrophobicContact CG-CE2 4.02Å; K215-Y499 PolarHBondContact NZ-O 2.96Å; I489-Y499 HydrophobicContact CG2-CE2 4.34Å; I489-Y499 WeakPolarHBondContact CG2-OH 3.28Å; W490-Y499 PolarHBondContact N-OH 2.95Å; W490-Y499 VanDerWaalsContact N-OH 3.13Å; W490-Y499 WeakPolarHBondContact O-CE2 3.48Å; G495-Y499 WeakPolarHBondContact O-CB 3.16Å; G495-Y499 WeakPolarHBondContact O-CD2 3.31Å; G495-Y499 PolarHBondContact O-N 3.45Å; L497-Y499 VanDerWaalsContact C-N 3.28Å; L497-Y499 PolarHBondContact O-N 3.26Å; Y499-R501 VanDerWaalsContact C-N 3.3Å; Y499-R501 PolarHBondContact O-N 3.3Å
500	G	83.3	Confident	91.8	Very high	28 Å²	28	17 Å²	17	29%	0.289	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.6	25.4	173.9	0	0	0	0	0	115.7	E496 L497	E496-G500 PolarHBondContact O-N 3.46Å; L497-G500 PolarHBondContact O-N 2.97Å
501	R	85.7	Confident	92.1	Very high	113 Å²	113	18.4 Å²	18.4	43%	0.426	10%	0.095	S	C	.	.	S	Bend	trans	-78.7	-30.1	172.3	-67	-171.9	-77.8	159.8	-0.2	111.9	E496 Y499	E496-R501 HydrophobicContact CB-CB 4.17Å; E496-R501 HydrophobicContact CG-CB 4.26Å; E496-R501 PolarHBondContact O-N 3.27Å; Y499-R501 VanDerWaalsContact C-N 3.3Å; Y499-R501 PolarHBondContact O-N 3.3Å
502	A	90.8	Very high	92.2	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.008	9%	0.093	C	C	.	.			trans	-127.4	155	174.7	0	0	0	0	0	110.8	V426 T428 E496 L497	V426-A502 HydrophobicContact CG1-CB 4.33Å; T428-A502 HydrophobicContact CG2-CB 3.61Å; E496-A502 HydrophobicContact CB-CB 4.09Å; E496-A502 PolarHBondContact O-N 3.29Å; E496-A502 VanDerWaalsContact O-N 3.11Å; L497-A502 HydrophobicContact CD2-CB 4.06Å
503	D	91.3	Very high	92.1	Very high	27 Å²	27	23.9 Å²	23.9	14%	0.144	13%	0.125	C	C	.	.	S	Bend	trans	-97.3	-27.6	-175.9	-62.1	-44.8	0	0	0	112.8	R241 I425 V426 P769	R241-D503 IonicContact CZ-OD1 3.99Å; R241-D503 IonicContact CZ-OD2 3.98Å; R241-D503 IonicContact NH1-OD2 3.75Å; R241-D503 IonicContact NH2-OD1 2.89Å; R241-D503 PolarHBondContact NH2-OD1 3.2Å; R241-D503 IonicContact NH2-OD2 2.66Å; R241-D503 PolarHBondContact NH2-OD2 3.19Å; I425-D503 WeakPolarHBondContact CA-OD2 3.35Å; I425-D503 HydrophobicContact CG2-CB 3.67Å; V426-D503 PolarHBondContact N-OD2 2.69Å; V426-D503 PolarHBondContact O-N 3.04Å; D503-P769 WeakPolarHBondContact O-CD 3.4Å
504	I	94.9	Very high	91.9	Very high	3 Å²	3	25.6 Å²	25.6	2%	0.015	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	146.8	-179.3	-169.2	172.9	0	0	0	108.8	I425 V426 V427 T428 V506 V766 A767 T768 V778	I425-I504 HydrophobicContact CG2-CG2 3.81Å; V426-I504 PolarHBondContact O-N 3.38Å; V427-I504 CarbonylContact C-O 3.46Å; V427-I504 WeakPolarHBondContact CA-O 3.35Å; V427-I504 HydrophobicContact CB-CG2 4.02Å; V427-I504 HydrophobicContact CG1-CG2 4.19Å; V427-I504 HydrophobicContact CG2-CG2 3.51Å; T428-I504 PolarHBondContact N-O 3.48Å; I504-V506 HydrophobicContact CD1-CG2 4.3Å; I504-V506 HydrophobicContact CG1-CG2 4.33Å; I504-V766 HydrophobicContact CD1-CG1 3.62Å; I504-V766 HydrophobicContact CG1-CG1 3.63Å; I504-A767 WeakPolarHBondContact CA-O 3.22Å; I504-A767 WeakPolarHBondContact CG1-O 3.31Å; I504-T768 HydrophobicContact CD1-CG2 4.42Å; I504-T768 HydrophobicContact CG1-CG2 4.05Å; I504-V778 HydrophobicContact CD1-CG1 4.23Å; I504-V778 HydrophobicContact CD1-CG2 3.69Å
505	A	97.1	Very high	91.9	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	113.6	171.7	0	0	0	0	0	110	T428 L497 V766 A767	T428-A505 HydrophobicContact CG2-CB 3.54Å; T428-A505 WeakPolarHBondContact O-CA 3.16Å; L497-A505 HydrophobicContact CD1-CB 3.78Å; L497-A505 HydrophobicContact CD2-CB 4.35Å; L497-A505 HydrophobicContact CG-CB 4.29Å; A505-V766 WeakPolarHBondContact O-CG1 3.39Å; A505-A767 HydrophobicContact CB-CB 4.27Å; A505-A767 PolarHBondContact N-O 3.32Å; A505-A767 PolarHBondContact O-N 2.86Å; A505-A767 VanDerWaalsContact O-N 3.12Å
506	V	96.8	Very high	91.9	Very high	4 Å²	4	31.2 Å²	31.2	2%	0.024	16%	0.161	C	C	.	.			trans	-109.5	96	172.9	-175.4	0	0	0	0	107.3	V427 T428 T429 C455 L458 A459 I504 V766	V427-V506 HydrophobicContact CG1-CB 3.85Å; V427-V506 HydrophobicContact CG1-CG2 3.81Å; T428-V506 PolarHBondContact O-N 2.91Å; T429-V506 WeakPolarHBondContact CB-O 3.23Å; T429-V506 PolarHBondContact OG1-O 3.5Å; C455-V506 HydrophobicContact CB-CG1 4.26Å; L458-V506 HydrophobicContact CD2-CG1 4.12Å; L458-V506 HydrophobicContact CG-CG1 4.29Å; A459-V506 HydrophobicContact CB-CB 4.39Å; A459-V506 HydrophobicContact CB-CG1 4.18Å; A459-V506 HydrophobicContact CB-CG2 4.43Å; I504-V506 HydrophobicContact CD1-CG2 4.3Å; I504-V506 HydrophobicContact CG1-CG2 4.33Å; V506-V766 HydrophobicContact CG2-CG1 3.89Å
507	A	95.8	Very high	91.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.181	C	C	.	.	S	Bend	trans	-157	167.3	-171.5	0	0	0	0	0	109.7	M493 L509	M493-A507 HydrophobicContact CE-CB 3.77Å; M493-A507 HydrophobicContact SD-CB 3.56Å; M493-A507 VanDerWaalsContact SD-CB 3.56Å; A507-L509 PolarHBondContact O-N 3.21Å
508	P	94.3	Very high	91.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.191	C	C	.	.	S	Bend	trans	-69.3	64.6	167.7	28.9	-34.2	0	0	0	111.1	I430 E432 Y435 Y480 Y764	I430-P508 HydrophobicContact CG2-CG 4.5Å; E432-P508 WeakPolarHBondContact OE2-CG 3.26Å; Y435-P508 HydrophobicContact CD1-CB 3.97Å; Y435-P508 HydrophobicContact CD1-CG 4.17Å; Y435-P508 HydrophobicContact CD2-CB 4.05Å; Y435-P508 HydrophobicContact CD2-CG 3.71Å; Y435-P508 HydrophobicContact CE1-CB 3.9Å; Y435-P508 HydrophobicContact CE2-CB 3.98Å; Y435-P508 HydrophobicContact CE2-CG 4.08Å; Y435-P508 HydrophobicContact CG-CB 4.04Å; Y435-P508 HydrophobicContact CG-CG 3.74Å; Y480-P508 HydrophobicContact CE1-CG 4.25Å; Y480-P508 WeakPolarHBondContact CE1-O 3.5Å; P508-Y764 VanDerWaalsContact C-CD1 3.43Å; P508-Y764 HydrophobicContact CB-CD1 4.28Å; P508-Y764 HydrophobicContact CB-CD2 4.03Å; P508-Y764 HydrophobicContact CB-CE1 3.86Å; P508-Y764 HydrophobicContact CB-CE2 3.57Å; P508-Y764 HydrophobicContact CB-CG 4.36Å; P508-Y764 VanDerWaalsContact CB-CZ 3.48Å; P508-Y764 WeakPolarHBondContact O-CE1 3.2Å
509	L	94.6	Very high	92.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.175	C	C	.	.			trans	-98.3	108.1	-177.8	-172	66.5	0	0	0	110.1	Y480 M493 V494 A507 I511 R515 I519 F521 G765 A767	Y480-L509 HydrophobicContact CD1-CD1 4.46Å; M493-L509 HydrophobicContact CE-CD1 4.3Å; V494-L509 HydrophobicContact CG2-CD1 4.44Å; A507-L509 PolarHBondContact O-N 3.21Å; L509-I511 PolarHBondContact O-N 2.82Å; L509-R515 VanDerWaalsContact CD1-NH1 3.33Å; L509-I519 HydrophobicContact CD2-CD1 4.32Å; L509-F521 HydrophobicContact CD2-CE1 3.81Å; L509-F521 HydrophobicContact CD2-CZ 3.98Å; L509-F521 HydrophobicContact CG-CE1 4.06Å; L509-F521 HydrophobicContact CG-CZ 4.28Å; L509-G765 PolarHBondContact O-N 2.99Å; L509-A767 HydrophobicContact CD2-CB 3.82Å
510	T	94.3	Very high	92.5	Very high	4 Å²	4	33.5 Å²	33.5	3%	0.025	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-62.3	128.6	177.3	-29.4	0	0	0	0	111.2	T512 R515 S686 E737 K762	T510-T512 HydrophobicContact CG2-CG2 4.5Å; T510-T512 PolarHBondContact O-N 2.84Å; T510-R515 PolarHBondContact O-NH1 2.65Å; T510-S686 PolarHBondContact OG1-OG 2.85Å; T510-E737 PolarHBondContact OG1-OE1 2.97Å; T510-K762 HydrophobicContact CG2-CB 4Å; T510-K762 HydrophobicContact CG2-CD 3.43Å; T510-K762 VanDerWaalsContact CG2-CD 3.43Å; T510-K762 HydrophobicContact CG2-CG 4.3Å
511	I	94.8	Very high	93.1	Very high	46 Å²	46	33 Å²	33	24%	0.236	16%	0.163	C	C	.	.			trans	-70	126.5	171.9	-54.1	173	0	0	0	108.5	L509 F521 P524 G763	L509-I511 PolarHBondContact O-N 2.82Å; I511-F521 HydrophobicContact CD1-CB 4.34Å; I511-F521 HydrophobicContact CD1-CD1 4.49Å; I511-F521 HydrophobicContact CG1-CB 4.3Å; I511-F521 HydrophobicContact CG1-CD1 3.72Å; I511-F521 HydrophobicContact CG1-CE1 4.1Å; I511-F521 HydrophobicContact CG1-CG 3.95Å; I511-F521 HydrophobicContact CG2-CD2 4.11Å; I511-F521 HydrophobicContact CG2-CE2 4.5Å; I511-F521 HydrophobicContact CG2-CG 4.23Å; I511-P524 HydrophobicContact CD1-CB 4.12Å; I511-G763 PolarHBondContact N-O 3.13Å; I511-G763 VanDerWaalsContact N-O 3.1Å
512	T	91.9	Very high	93.6	Very high	35 Å²	35	28 Å²	28	22%	0.215	15%	0.145	C	C	.	.			trans	-143	151.5	178.5	64.3	0	0	0	0	109.8	T510 V514 R515 E516	T510-T512 HydrophobicContact CG2-CG2 4.5Å; T510-T512 PolarHBondContact O-N 2.84Å; T512-V514 VanDerWaalsContact C-N 3.32Å; T512-V514 PolarHBondContact O-N 3.09Å; T512-R515 PolarHBondContact O-N 2.76Å; T512-R515 WeakPolarHBondContact OG1-CD 3.3Å; T512-R515 VanDerWaalsContact OG1-CG 3.31Å; T512-R515 WeakPolarHBondContact OG1-CG 3.36Å; T512-E516 PolarHBondContact O-N 2.8Å
513	L	89.6	Confident	93.7	Very high	129 Å²	129	34 Å²	34	68%	0.675	17%	0.171	S	C	*	.	H	α-helix	trans	-52.1	-47.5	-179.5	-177.1	65.9	0	0	0	112.7	R515 E516 E517	L513-R515 PolarHBondContact O-N 2.81Å; L513-E516 PolarHBondContact O-N 2.87Å; L513-E517 PolarHBondContact O-N 2.89Å
514	V	90.6	Very high	93.9	Very high	37 Å²	37	35.6 Å²	35.6	22%	0.224	18%	0.183	C	C	.	.	H	α-helix	trans	-65.7	-25.5	-178	-64.1	0	0	0	0	113.8	W490 T512	W490-V514 HydrophobicContact CH2-CB 4.27Å; W490-V514 HydrophobicContact CH2-CG2 4.18Å; W490-V514 WeakPolarHBondContact CH2-O 3.32Å; W490-V514 VanDerWaalsContact CZ2-O 3.29Å; W490-V514 WeakPolarHBondContact CZ2-O 3.33Å; T512-V514 VanDerWaalsContact C-N 3.32Å; T512-V514 PolarHBondContact O-N 3.09Å
515	R	92.9	Very high	93.9	Very high	12 Å²	12	36 Å²	36	5%	0.045	18%	0.184	C	C	.	.	H	α-helix	trans	-83.3	-39.2	176.4	-70.3	176.4	177.2	163.9	-4.8	110.6	G481 W490 V494 L509 T510 T512 L513 E517 V518 I519 F521	G481-R515 PolarHBondContact O-NE 2.91Å; G481-R515 PolarHBondContact O-NH2 3.37Å; W490-R515 HydrophobicContact CH2-CG 4.18Å; W490-R515 HydrophobicContact CZ3-CG 4.19Å; V494-R515 HydrophobicContact CG2-CG 4.11Å; L509-R515 VanDerWaalsContact CD1-NH1 3.33Å; T510-R515 PolarHBondContact O-NH1 2.65Å; T512-R515 PolarHBondContact O-N 2.76Å; T512-R515 WeakPolarHBondContact OG1-CD 3.3Å; T512-R515 VanDerWaalsContact OG1-CG 3.31Å; T512-R515 WeakPolarHBondContact OG1-CG 3.36Å; L513-R515 PolarHBondContact O-N 2.81Å; R515-E517 PolarHBondContact O-N 2.84Å; R515-V518 VanDerWaalsContact O-CG2 3.31Å; R515-V518 WeakPolarHBondContact O-CG2 3.34Å; R515-V518 PolarHBondContact O-N 3.21Å; R515-I519 HydrophobicContact CB-CD1 4.34Å; R515-I519 HydrophobicContact CB-CG1 4.32Å; R515-I519 WeakPolarHBondContact O-CG1 3.4Å; R515-I519 PolarHBondContact O-N 3.3Å; R515-F521 HydrophobicContact CB-CE2 3.77Å; R515-F521 HydrophobicContact CB-CZ 4.04Å
516	E	91.6	Very high	93.8	Very high	105 Å²	105	36.5 Å²	36.5	49%	0.491	19%	0.187	S	C	.	.	H	α-helix	trans	-62.6	-25.5	178.5	-162.4	171.8	-171.5	0	0	112.8	T512 L513 V518 I519	T512-E516 PolarHBondContact O-N 2.8Å; L513-E516 PolarHBondContact O-N 2.87Å; E516-V518 VanDerWaalsContact C-N 3.28Å; E516-V518 PolarHBondContact O-N 3.15Å; E516-I519 CarbonylContact C-O 3.49Å; E516-I519 WeakPolarHBondContact CA-O 3.27Å
517	E	91	Very high	93.6	Very high	104 Å²	104	40.6 Å²	40.6	49%	0.486	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-32.8	171.7	-73.6	175.2	-171.4	0	0	113.3	L513 R515 K770	L513-E517 PolarHBondContact O-N 2.89Å; R515-E517 PolarHBondContact O-N 2.84Å; E517-K770 PolarHBondContact O-NZ 2.76Å
518	V	91.4	Very high	93.5	Very high	38 Å²	38	40.8 Å²	40.8	23%	0.23	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.4	-22.5	-170.6	-61.4	0	0	0	0	114.7	W490 V494 V498 R515 E516	W490-V518 HydrophobicContact CD2-CG2 4.4Å; W490-V518 HydrophobicContact CZ2-CG1 4.34Å; W490-V518 HydrophobicContact CZ2-CG2 3.88Å; V494-V518 HydrophobicContact CG1-CG2 3.93Å; V498-V518 HydrophobicContact CG2-CB 3.93Å; V498-V518 HydrophobicContact CG2-CG2 3.94Å; R515-V518 VanDerWaalsContact O-CG2 3.31Å; R515-V518 WeakPolarHBondContact O-CG2 3.34Å; R515-V518 PolarHBondContact O-N 3.21Å; E516-V518 VanDerWaalsContact C-N 3.28Å; E516-V518 PolarHBondContact O-N 3.15Å
519	I	95.1	Very high	93.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	152.8	178	52.4	168.3	0	0	0	110.1	V494 L497 V498 L509 R515 E516 F521 A767	V494-I519 HydrophobicContact CB-CD1 4.46Å; V494-I519 HydrophobicContact CG1-CD1 4.06Å; V494-I519 HydrophobicContact CG1-CG1 4.42Å; V494-I519 HydrophobicContact CG2-CD1 4.03Å; L497-I519 HydrophobicContact CB-CG2 3.83Å; L497-I519 HydrophobicContact CD1-CD1 4.31Å; L497-I519 HydrophobicContact CD1-CG2 4.3Å; V498-I519 HydrophobicContact CG2-CG2 3.75Å; L509-I519 HydrophobicContact CD2-CD1 4.32Å; R515-I519 HydrophobicContact CB-CD1 4.34Å; R515-I519 HydrophobicContact CB-CG1 4.32Å; R515-I519 WeakPolarHBondContact O-CG1 3.4Å; R515-I519 PolarHBondContact O-N 3.3Å; E516-I519 CarbonylContact C-O 3.49Å; E516-I519 WeakPolarHBondContact CA-O 3.27Å; I519-F521 HydrophobicContact CD1-CE2 3.93Å; I519-F521 HydrophobicContact CD1-CZ 3.78Å; I519-F521 HydrophobicContact CG1-CE2 4Å; I519-F521 HydrophobicContact CG1-CZ 4.37Å; I519-A767 HydrophobicContact CD1-CB 3.94Å
520	D	95.2	Very high	93.4	Very high	18 Å²	18	40.8 Å²	40.8	10%	0.096	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	141.7	177.8	-75.5	-23.4	0	0	0	110.7	A767 T768 G771 R775	D520-A767 CarbonylContact O-C 3.52Å; D520-A767 WeakPolarHBondContact O-CA 3.27Å; D520-T768 PolarHBondContact N-O 3.33Å; D520-T768 PolarHBondContact O-N 2.87Å; D520-T768 PolarHBondContact O-OG1 3.28Å; D520-G771 PolarHBondContact OD2-N 3.03Å; D520-R775 HydrophobicContact CB-CG 4.35Å; D520-R775 VanDerWaalsContact CG-NH1 3.26Å; D520-R775 IonicContact OD1-NH1 3.91Å; D520-R775 PolarHBondContact OD1-NH1 2.82Å; D520-R775 WeakPolarHBondContact OD2-CD 3.4Å; D520-R775 IonicContact OD2-CZ 3.8Å; D520-R775 IonicContact OD2-NH1 3.99Å; D520-R775 PolarHBondContact OD2-NH1 3.43Å
521	F	95.8	Very high	93.5	Very high	17 Å²	17	40.6 Å²	40.6	8%	0.075	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	150.6	173.3	-72.4	-88.2	0	0	0	112.1	L509 I511 R515 I519 A767	L509-F521 HydrophobicContact CD2-CE1 3.81Å; L509-F521 HydrophobicContact CD2-CZ 3.98Å; L509-F521 HydrophobicContact CG-CE1 4.06Å; L509-F521 HydrophobicContact CG-CZ 4.28Å; I511-F521 HydrophobicContact CD1-CB 4.34Å; I511-F521 HydrophobicContact CD1-CD1 4.49Å; I511-F521 HydrophobicContact CG1-CB 4.3Å; I511-F521 HydrophobicContact CG1-CD1 3.72Å; I511-F521 HydrophobicContact CG1-CE1 4.1Å; I511-F521 HydrophobicContact CG1-CG 3.95Å; I511-F521 HydrophobicContact CG2-CD2 4.11Å; I511-F521 HydrophobicContact CG2-CE2 4.5Å; I511-F521 HydrophobicContact CG2-CG 4.23Å; R515-F521 HydrophobicContact CB-CE2 3.77Å; R515-F521 HydrophobicContact CB-CZ 4.04Å; I519-F521 HydrophobicContact CD1-CE2 3.93Å; I519-F521 HydrophobicContact CD1-CZ 3.78Å; I519-F521 HydrophobicContact CG1-CE2 4Å; I519-F521 HydrophobicContact CG1-CZ 4.37Å; F521-A767 HydrophobicContact CD1-CB 3.91Å; F521-A767 HydrophobicContact CE1-CB 3.73Å; F521-A767 HydrophobicContact CZ-CB 4.28Å
522	S	95.2	Very high	93.5	Very high	9 Å²	9	38.5 Å²	38.5	6%	0.063	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-74.8	170.8	159.4	54.4	0	0	0	0	111.2	V766	S522-V766 PolarHBondContact N-O 2.96Å; S522-V766 WeakPolarHBondContact OG-CA 3.39Å; S522-V766 VanDerWaalsContact OG-CB 3.32Å; S522-V766 WeakPolarHBondContact OG-CB 3.37Å; S522-V766 PolarHBondContact OG-N 3.44Å; S522-V766 PolarHBondContact OG-O 3.3Å
523	K	94.6	Very high	93.6	Very high	125 Å²	125	36.8 Å²	36.8	54%	0.543	20%	0.195	S	C	.	.	S	Bend	trans	-56.4	144.2	166.5	-68.5	-61.6	-176.6	-176.5	0	110.2	F525 N779 L783	K523-F525 PolarHBondContact O-N 2.81Å; K523-N779 WeakPolarHBondContact CG-OD1 3.5Å; K523-N779 PolarHBondContact N-OD1 3.43Å; K523-L783 HydrophobicContact CB-CD2 4.18Å; K523-L783 HydrophobicContact CG-CD2 4.16Å
524	P	95.7	Very high	93.8	Very high	61 Å²	61	31.1 Å²	31.1	40%	0.396	17%	0.165	S	C	.	.	P	Polyproline II helix	trans	-62.7	131.3	-175.7	25.2	-33.4	0	0	0	110.5	I511 Y764	I511-P524 HydrophobicContact CD1-CB 4.12Å; P524-Y764 CarbonylContact C-O 3.59Å; P524-Y764 WeakPolarHBondContact CA-O 3.4Å
525	F	94.8	Very high	93.8	Very high	11 Å²	11	31.7 Å²	31.7	5%	0.048	16%	0.164	C	C	.	.	S	Bend	trans	-90.3	-14.6	177.5	67.2	-100.3	0	0	0	112.2	Y454 L458 K523 Y764 V766 V782 L791	Y454-F525 HydrophobicContact CD1-CE2 4.48Å; Y454-F525 AromaticContact CE1-CD2 3.91Å; Y454-F525 HydrophobicContact CE1-CD2 3.91Å; Y454-F525 AromaticContact CE1-CE2 3.61Å; Y454-F525 HydrophobicContact CE1-CE2 3.61Å; L458-F525 HydrophobicContact CD2-CD1 4.18Å; L458-F525 HydrophobicContact CD2-CD2 3.98Å; L458-F525 HydrophobicContact CD2-CE1 4.23Å; L458-F525 HydrophobicContact CD2-CE2 4.08Å; L458-F525 HydrophobicContact CD2-CG 4.05Å; L458-F525 HydrophobicContact CD2-CZ 4.19Å; K523-F525 PolarHBondContact O-N 2.81Å; F525-Y764 WeakPolarHBondContact CD1-O 3.41Å; F525-Y764 HydrophobicContact CE2-CD2 4.33Å; F525-Y764 HydrophobicContact CZ-CD2 4.21Å; F525-Y764 HydrophobicContact CZ-CG 4.23Å; F525-Y764 PolarHBondContact N-O 2.85Å; F525-V766 HydrophobicContact CD1-CG2 4.08Å; F525-V766 HydrophobicContact CE1-CG2 4.31Å; F525-V782 HydrophobicContact CB-CG1 3.84Å; F525-L791 HydrophobicContact CB-CD1 4.02Å
526	M	93.9	Very high	93.6	Very high	11 Å²	11	35 Å²	35	5%	0.054	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	123.6	178.3	-174	175.4	-69	0	0	110.1	Y454 T739 G763 Y764 K795 W799	Y454-M526 HydrophobicContact CD1-CE 4.5Å; Y454-M526 HydrophobicContact CD2-CE 4.46Å; Y454-M526 HydrophobicContact CE1-CE 3.89Å; Y454-M526 HydrophobicContact CE2-CE 3.82Å; M526-T739 HydrophobicContact CG-CG2 4.1Å; M526-T739 HydrophobicContact SD-CG2 3.49Å; M526-T739 WeakPolarHBondContact SD-CG2 3.49Å; M526-G763 CarbonylContact O-C 3.55Å; M526-G763 WeakPolarHBondContact O-CA 3.4Å; M526-Y764 HydrophobicContact CB-CD2 4.38Å; M526-Y764 PolarHBondContact O-N 3.43Å; M526-Y764 HydrophobicContact SD-CD2 4.4Å; M526-K795 HydrophobicContact CE-CB 4.47Å; M526-K795 HydrophobicContact CE-CD 4.4Å; M526-K795 HydrophobicContact CE-CG 4.31Å; M526-W799 HydrophobicContact CE-CH2 4.2Å; M526-W799 HydrophobicContact CE-CZ3 4.35Å
527	S	93	Very high	93.1	Very high	90 Å²	90	31.5 Å²	31.5	63%	0.629	17%	0.166	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-87.3	139.5	175.4	-56.9	0	0	0	0	111.1	K762	S527-K762 WeakPolarHBondContact CA-O 3.15Å
528	L	93.2	Very high	92.2	Very high	4 Å²	4	34.8 Å²	34.8	2%	0.021	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	176	-176.3	61.1	92.5	0	0	0	111	E737 T739 K762 Y764	L528-E737 HydrophobicContact CD1-CB 4Å; L528-E737 HydrophobicContact CD1-CG 3.79Å; L528-T739 HydrophobicContact CB-CG2 3.8Å; L528-T739 HydrophobicContact CD2-CG2 4.14Å; L528-K762 HydrophobicContact CD1-CB 3.92Å; L528-K762 HydrophobicContact CG-CB 4.49Å; L528-K762 PolarHBondContact N-O 3.27Å; L528-K762 CarbonylContact O-C 3.56Å; L528-K762 WeakPolarHBondContact O-CA 3.24Å; L528-K762 PolarHBondContact O-N 3.06Å; L528-Y764 HydrophobicContact CD2-CD1 3.62Å; L528-Y764 HydrophobicContact CD2-CD2 3.48Å; L528-Y764 VanDerWaalsContact CD2-CD2 3.48Å; L528-Y764 HydrophobicContact CD2-CE1 3.4Å; L528-Y764 HydrophobicContact CD2-CE2 3.24Å; L528-Y764 HydrophobicContact CD2-CG 3.66Å
529	G	93.6	Very high	91	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.194	C	C	.	.			trans	-154.7	175.2	168.7	0	0	0	0	0	111.6	S531 E737 S738 N758 D760	G529-S531 PolarHBondContact O-N 2.85Å; G529-E737 CarbonylContact O-C 3.6Å; G529-E737 WeakPolarHBondContact O-CA 3.23Å; G529-S738 PolarHBondContact N-OG 2.88Å; G529-S738 WeakPolarHBondContact O-CB 3.13Å; G529-S738 PolarHBondContact O-N 3.48Å; G529-N758 PolarHBondContact N-ND2 3.04Å; G529-D760 WeakPolarHBondContact CA-O 3.49Å; G529-D760 VanDerWaalsContact CA-OD1 3.25Å; G529-D760 WeakPolarHBondContact CA-OD1 3.31Å
530	I	94.6	Very high	89.4	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	129.4	173.6	-53.1	162.3	0	0	0	108.1	T687 F690 F691 L735 N758 L759 D760	I530-T687 HydrophobicContact CD1-CG2 3.85Å; I530-T687 HydrophobicContact CG1-CG2 3.95Å; I530-T687 HydrophobicContact CG2-CG2 3.79Å; I530-F690 HydrophobicContact CD1-CB 4.41Å; I530-F690 HydrophobicContact CD1-CD1 3.35Å; I530-F690 HydrophobicContact CD1-CD2 4.49Å; I530-F690 HydrophobicContact CD1-CE1 3.6Å; I530-F690 HydrophobicContact CD1-CG 3.84Å; I530-F690 HydrophobicContact CD1-CZ 4.27Å; I530-F691 HydrophobicContact CD1-CE2 4.33Å; I530-L735 HydrophobicContact CG2-CB 4.25Å; I530-N758 CarbonylContact O-C 3.21Å; I530-N758 WeakPolarHBondContact O-CA 3.25Å; I530-L759 HydrophobicContact CB-CB 4.21Å; I530-L759 HydrophobicContact CB-CD1 4.05Å; I530-L759 HydrophobicContact CG2-CD1 3.74Å; I530-L759 PolarHBondContact O-N 2.98Å; I530-D760 WeakPolarHBondContact CD1-OD2 3.49Å; I530-D760 WeakPolarHBondContact CG1-OD2 3.43Å; I530-D760 PolarHBondContact N-OD1 3.38Å
531	S	94.5	Very high	87.8	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	162.6	179	71.7	0	0	0	0	110.7	G529 L735 L736 S738 N741	G529-S531 PolarHBondContact O-N 2.85Å; S531-L735 WeakPolarHBondContact O-CA 3.06Å; S531-L736 WeakPolarHBondContact CA-O 3.41Å; S531-L736 PolarHBondContact N-O 3.47Å; S531-L736 PolarHBondContact O-N 2.87Å; S531-L736 VanDerWaalsContact O-N 3.11Å; S531-L736 VanDerWaalsContact O-O 3.08Å; S531-L736 PolarHBondContact OG-O 3.37Å; S531-S738 WeakPolarHBondContact OG-CA 3.4Å; S531-N741 VanDerWaalsContact OG-CB 3.27Å; S531-N741 WeakPolarHBondContact OG-CB 3.19Å; S531-N741 PolarHBondContact OG-ND2 3.44Å
532	I	94.8	Very high	86.3	Confident	2 Å²	2	54.8 Å²	54.8	1%	0.01	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	122.1	179.2	-54.7	163.6	0	0	0	107.9	I534 A668 L671 A733 L735 N741 K754 V755 L759	I532-I534 HydrophobicContact CG2-CG2 4.16Å; I532-A668 HydrophobicContact CD1-CB 4.12Å; I532-L671 HydrophobicContact CD1-CD1 3.94Å; I532-L671 HydrophobicContact CG1-CD1 4.3Å; I532-L671 HydrophobicContact CG2-CD1 3.89Å; I532-A733 HydrophobicContact CG2-CB 4.13Å; I532-L735 HydrophobicContact CB-CD2 4.27Å; I532-L735 HydrophobicContact CG1-CD2 3.64Å; I532-L735 HydrophobicContact CG2-CD2 4.35Å; I532-N741 PolarHBondContact O-ND2 2.89Å; I532-N741 VanDerWaalsContact O-ND2 3.07Å; I532-K754 WeakPolarHBondContact O-CA 3.45Å; I532-V755 HydrophobicContact CB-CG2 3.72Å; I532-V755 HydrophobicContact CG2-CG2 3.6Å; I532-V755 PolarHBondContact O-N 3.3Å; I532-V755 VanDerWaalsContact O-N 3.13Å; I532-L759 HydrophobicContact CG1-CD1 4.47Å
533	M	94.4	Very high	85.1	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	126.3	170.4	177.1	-174.5	-72.1	0	0	109.8	V722 V725 A733 F734 L736 N741 I744 T752	M533-V722 HydrophobicContact CE-CG2 4.29Å; M533-V722 HydrophobicContact SD-CG2 4.02Å; M533-V725 HydrophobicContact CG-CG1 4.47Å; M533-A733 WeakPolarHBondContact O-CA 3.34Å; M533-F734 PolarHBondContact N-O 3.06Å; M533-F734 PolarHBondContact O-N 3.09Å; M533-L736 HydrophobicContact CB-CD2 3.45Å; M533-L736 VanDerWaalsContact CB-CD2 3.45Å; M533-L736 HydrophobicContact CE-CD1 3.84Å; M533-L736 HydrophobicContact CE-CD2 3.98Å; M533-L736 HydrophobicContact CG-CD2 4.5Å; M533-L736 HydrophobicContact SD-CD2 4.43Å; M533-N741 HydrophobicContact CE-CB 4.35Å; M533-N741 VanDerWaalsContact CE-OD1 3.32Å; M533-N741 WeakPolarHBondContact CE-OD1 3.42Å; M533-I744 HydrophobicContact CE-CB 3.67Å; M533-I744 HydrophobicContact CE-CG1 4.17Å; M533-I744 HydrophobicContact CE-CG2 3.7Å; M533-I744 HydrophobicContact SD-CG2 4.34Å; M533-T752 HydrophobicContact CG-CG2 4.24Å; M533-T752 HydrophobicContact SD-CG2 3.9Å
534	I	93.3	Very high	84.2	Confident	9 Å²	9	57.3 Å²	57.3	5%	0.046	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	167.7	169.9	62.4	167.7	0	0	0	110.2	I532 V725 A733 T752 M753 V755	I532-I534 HydrophobicContact CG2-CG2 4.16Å; I534-V725 VanDerWaalsContact C-CG1 3.5Å; I534-A733 HydrophobicContact CG2-CB 3.89Å; I534-T752 CarbonylContact O-C 3.51Å; I534-T752 WeakPolarHBondContact O-CA 3.4Å; I534-M753 HydrophobicContact CG1-CB 4.38Å; I534-M753 PolarHBondContact N-O 2.87Å; I534-M753 PolarHBondContact O-N 2.97Å; I534-V755 HydrophobicContact CD1-CG1 3.45Å; I534-V755 VanDerWaalsContact CD1-CG1 3.45Å; I534-V755 HydrophobicContact CD1-CG2 4.36Å; I534-V755 HydrophobicContact CG1-CG1 3.77Å; I534-V755 HydrophobicContact CG1-CG2 4.32Å; I534-V755 HydrophobicContact CG2-CG2 4.19Å
535	K	91.4	Very high	83.4	Confident	49 Å²	49	61.2 Å²	61.2	21%	0.213	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	130.8	167.7	-167.3	-177.4	-177.7	73.9	0	108.2	V725 R726 D751	K535-V725 HydrophobicContact CB-CG1 4.23Å; K535-V725 VanDerWaalsContact N-CG1 3.32Å; K535-R726 PolarHBondContact NZ-O 3.38Å; K535-D751 CarbonylContact C-O 3.55Å; K535-D751 WeakPolarHBondContact CA-O 3.37Å; K535-D751 WeakPolarHBondContact CG-O 3.38Å; K535-D751 IonicContact NZ-OD2 3.61Å; K535-D751 PolarHBondContact NZ-OD2 2.95Å
536	K	88.1	Confident	82.5	Confident	82 Å²	82	61.4 Å²	61.4	36%	0.357	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-57.2	123.1	174.5	-168.6	172.5	-173.1	167.9	0	108.7	Q538 C750 D751 M753	K536-Q538 PolarHBondContact O-N 3.08Å; K536-C750 WeakPolarHBondContact CD-O 3.4Å; K536-D751 PolarHBondContact N-O 3.41Å; K536-M753 HydrophobicContact CB-CB 4.19Å; K536-M753 HydrophobicContact CG-CB 4.38Å
537	P	81.6	Confident	81.9	Confident	32 Å²	32	66 Å²	66	21%	0.208	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-61.7	136.4	-180	24.1	-31.5	0	0	0	109.3	M661	P537-M661 HydrophobicContact CG-CB 4.4Å
538	Q	72.2	Confident	81.6	Confident	172 Å²	172	64.9 Å²	64.9	80%	0.804	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-71.8	143.5	171.3	-68.9	-172.2	-32.5	0	0	108.5	K536 S540	K536-Q538 PolarHBondContact O-N 3.08Å; Q538-S540 PolarHBondContact O-N 3.24Å
539	K	67.3	Low	81.2	Confident	115 Å²	115	68.9 Å²	68.9	50%	0.5	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-54.7	116.4	171.2	-61.5	-167.9	176.5	-174.2	0	108.3	K541 E659	K539-K541 PolarHBondContact O-N 2.89Å; K539-E659 HydrophobicContact CD-CB 4.26Å; K539-E659 WeakPolarHBondContact CD-OE2 3.38Å; K539-E659 WeakPolarHBondContact CE-OE2 3.22Å; K539-E659 IonicContact NZ-OE2 2.81Å; K539-E659 PolarHBondContact NZ-OE2 2.94Å
540	S	60	Low	80.9	Confident	93 Å²	93	69.4 Å²	69.4	65%	0.65	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-64.3	124.5	178.9	47.2	0	0	0	0	108.3	Q538	Q538-S540 PolarHBondContact O-N 3.24Å
541	K	61.1	Low	80.6	Confident	196 Å²	196	70.2 Å²	70.2	85%	0.852	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-62.4	133.9	167.1	-65.9	-176.3	179.2	-177.7	0	107.5	K539 G543	K539-K541 PolarHBondContact O-N 2.89Å; K541-G543 PolarHBondContact O-N 3.05Å
542	P	66	Low	80.4	Confident	89 Å²	89	72.5 Å²	72.5	58%	0.578	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-54.4	136.4	177.5	17.5	-27.5	0	0	0	109.9	S546	P542-S546 WeakPolarHBondContact CB-OG 3.32Å
543	G	68.6	Low	80.1	Confident	54 Å²	54	80.4 Å²	80.4	56%	0.557	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-67.6	168.1	178.7	0	0	0	0	0	112	K541 F545 S546	K541-G543 PolarHBondContact O-N 3.05Å; G543-F545 PolarHBondContact O-N 3.3Å; G543-F545 VanDerWaalsContact O-N 3.12Å; G543-S546 VanDerWaalsContact O-CB 3.24Å; G543-S546 WeakPolarHBondContact O-CB 3.36Å; G543-S546 PolarHBondContact O-N 2.64Å
544	V	75.8	Confident	80	Confident	133 Å²	133	86.5 Å²	86.5	81%	0.806	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-30	-179.9	-178.9	0	0	0	0	112.3
545	F	79.4	Confident	80	Confident	143 Å²	143	89.3 Å²	89.3	63%	0.627	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	13.8	179	-62	-66.8	0	0	0	114.3	G543 F547 L548	G543-F545 PolarHBondContact O-N 3.3Å; G543-F545 VanDerWaalsContact O-N 3.12Å; F545-F547 HydrophobicContact CD1-CE1 4.09Å; F545-F547 HydrophobicContact CD1-CZ 4.34Å; F545-F547 PolarHBondContact O-N 3.04Å; F545-L548 HydrophobicContact CB-CD1 4.46Å; F545-L548 HydrophobicContact CD1-CD1 4.48Å; F545-L548 WeakPolarHBondContact O-CB 3.31Å; F545-L548 PolarHBondContact O-N 3.21Å
546	S	76.4	Confident	80	Confident	16 Å²	16	90.5 Å²	90.5	11%	0.112	47%	0.466	C	S	.	.	G	3₁₀ helix	trans	-64.9	-15.2	-174.7	-166.1	0	0	0	0	114.2	P542 G543 L548 D549 F655	P542-S546 WeakPolarHBondContact CB-OG 3.32Å; G543-S546 VanDerWaalsContact O-CB 3.24Å; G543-S546 WeakPolarHBondContact O-CB 3.36Å; G543-S546 PolarHBondContact O-N 2.64Å; S546-L548 PolarHBondContact O-N 2.99Å; S546-D549 WeakPolarHBondContact CA-OD2 3.26Å; S546-D549 WeakPolarHBondContact CB-OD2 3.17Å; S546-D549 WeakPolarHBondContact O-CB 3.44Å; S546-D549 PolarHBondContact O-N 3.48Å; S546-D549 PolarHBondContact OG-OD2 3.24Å; S546-F655 WeakPolarHBondContact OG-CE1 3.46Å
547	F	81.5	Confident	80.2	Confident	107 Å²	107	90 Å²	90	47%	0.469	47%	0.465	S	S	.	.	G	3₁₀ helix	trans	-66.3	-17.3	170.5	70.3	-90.3	0	0	0	113.4	F545 P550 Y648	F545-F547 HydrophobicContact CD1-CE1 4.09Å; F545-F547 HydrophobicContact CD1-CZ 4.34Å; F545-F547 PolarHBondContact O-N 3.04Å; F547-P550 VanDerWaalsContact O-CD 3.27Å; F547-P550 WeakPolarHBondContact O-CD 3.36Å; F547-Y648 WeakPolarHBondContact O-CE2 3.28Å; F547-Y648 PolarHBondContact O-OH 3.32Å
548	L	86.4	Confident	80.7	Confident	66 Å²	66	92.1 Å²	92.1	35%	0.346	48%	0.481	S	S	.	.	G	3₁₀ helix	trans	-86.6	-20.9	175.5	-64.3	175.5	0	0	0	113	F545 S546 L551 W556	F545-L548 HydrophobicContact CB-CD1 4.46Å; F545-L548 HydrophobicContact CD1-CD1 4.48Å; F545-L548 WeakPolarHBondContact O-CB 3.31Å; F545-L548 PolarHBondContact O-N 3.21Å; S546-L548 PolarHBondContact O-N 2.99Å; L548-L551 PolarHBondContact O-N 3.08Å; L548-L551 VanDerWaalsContact O-O 3.06Å; L548-W556 HydrophobicContact CD2-CH2 4.1Å; L548-W556 HydrophobicContact CD2-CZ2 3.66Å; L548-W556 PolarHBondContact O-NE1 3.07Å
549	D	83.9	Confident	81.7	Confident	88 Å²	88	84.5 Å²	84.5	47%	0.471	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-28.8	-178.2	-60.2	-20.9	0	0	0	115.9	S546 L551 F655	S546-D549 WeakPolarHBondContact CA-OD2 3.26Å; S546-D549 WeakPolarHBondContact CB-OD2 3.17Å; S546-D549 WeakPolarHBondContact O-CB 3.44Å; S546-D549 PolarHBondContact O-N 3.48Å; S546-D549 PolarHBondContact OG-OD2 3.24Å; D549-L551 PolarHBondContact O-N 3.31Å; D549-L551 VanDerWaalsContact O-N 3.13Å; D549-F655 HydrophobicContact CB-CE1 4.19Å; D549-F655 HydrophobicContact CB-CE2 4.18Å; D549-F655 HydrophobicContact CB-CZ 3.85Å
550	P	87.7	Confident	82.9	Confident	12 Å²	12	82.6 Å²	82.6	8%	0.078	44%	0.443	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-16	-178.8	-25	34.7	0	0	0	115.5	F547 Y648 N651 L652	F547-P550 VanDerWaalsContact O-CD 3.27Å; F547-P550 WeakPolarHBondContact O-CD 3.36Å; P550-Y648 HydrophobicContact CB-CD2 4.12Å; P550-Y648 HydrophobicContact CB-CE2 4.12Å; P550-Y648 HydrophobicContact CG-CE2 4.04Å; P550-N651 HydrophobicContact CB-CB 3.94Å; P550-N651 PolarHBondContact O-ND2 2.98Å; P550-L652 HydrophobicContact CB-CB 4.35Å; P550-L652 HydrophobicContact CG-CB 3.96Å; P550-L652 HydrophobicContact CG-CD1 3.66Å; P550-L652 HydrophobicContact CG-CG 4.42Å
551	L	88.7	Confident	84.4	Confident	16 Å²	16	84.6 Å²	84.6	8%	0.084	44%	0.44	C	S	.	.	S	Bend	trans	-125.2	138.1	174.4	-70.9	174	0	0	0	109.4	L548 D549 I555 W556 I559 Y648	L548-L551 PolarHBondContact O-N 3.08Å; L548-L551 VanDerWaalsContact O-O 3.06Å; D549-L551 PolarHBondContact O-N 3.31Å; D549-L551 VanDerWaalsContact O-N 3.13Å; L551-I555 HydrophobicContact CD2-CD1 4.24Å; L551-I555 HydrophobicContact CD2-CG2 4.32Å; L551-W556 HydrophobicContact CB-CZ2 4.47Å; L551-W556 HydrophobicContact CD1-CZ2 4.22Å; L551-W556 PolarHBondContact O-NE1 3.03Å; L551-I559 HydrophobicContact CD1-CD1 4.31Å; L551-Y648 HydrophobicContact CD1-CD2 3.96Å; L551-Y648 HydrophobicContact CG-CD2 4.15Å
552	A	89.6	Confident	85.9	Confident	48 Å²	48	76.9 Å²	76.9	40%	0.397	41%	0.413	S	S	.	.			trans	-63.4	151.1	177.8	0	0	0	0	0	111.2	E554 I555 W556	A552-E554 VanDerWaalsContact CB-OE2 3.3Å; A552-E554 WeakPolarHBondContact CB-OE2 3.46Å; A552-E554 PolarHBondContact O-N 2.9Å; A552-I555 HydrophobicContact CB-CD1 4.22Å; A552-I555 HydrophobicContact CB-CG1 4.32Å; A552-I555 WeakPolarHBondContact O-CB 3.5Å; A552-I555 PolarHBondContact O-N 2.93Å; A552-W556 PolarHBondContact O-N 3.26Å
553	Y	89.6	Confident	87.1	Confident	169 Å²	169	74.7 Å²	74.7	66%	0.663	39%	0.393	S	S	*	.	H	α-helix	trans	-57	-36.1	-178.1	175.5	-103.4	0	0	0	112.4	I555 W556 M557	Y553-I555 VanDerWaalsContact C-N 3.3Å; Y553-I555 PolarHBondContact O-N 3.33Å; Y553-W556 WeakPolarHBondContact O-CB 3.44Å; Y553-W556 PolarHBondContact O-N 3.17Å; Y553-M557 HydrophobicContact CD1-CG 4.4Å; Y553-M557 HydrophobicContact CE1-CG 3.9Å; Y553-M557 HydrophobicContact CE2-CG 4.35Å; Y553-M557 HydrophobicContact CE2-SD 4.45Å; Y553-M557 PolarHBondContact O-N 2.88Å; Y553-M557 VanDerWaalsContact O-N 3.1Å
554	E	92.6	Very high	88.2	Confident	127 Å²	127	76 Å²	76	59%	0.593	39%	0.387	S	S	*	.	H	α-helix	trans	-62.2	-37.8	177.5	-58.7	78.1	-172.9	0	0	111.7	A552 M557 C558	A552-E554 VanDerWaalsContact CB-OE2 3.3Å; A552-E554 WeakPolarHBondContact CB-OE2 3.46Å; A552-E554 PolarHBondContact O-N 2.9Å; E554-M557 PolarHBondContact O-N 3.23Å; E554-C558 PolarHBondContact O-N 3.41Å; E554-C558 PolarHBondContact O-SG 2.74Å
555	I	92.3	Very high	89	Confident	69 Å²	69	71.2 Å²	71.2	35%	0.354	37%	0.365	S	S	.	.	H	α-helix	trans	-69.8	-41.7	178.8	-59	174.1	0	0	0	109.9	L551 A552 Y553 M557 C558 I559	L551-I555 HydrophobicContact CD2-CD1 4.24Å; L551-I555 HydrophobicContact CD2-CG2 4.32Å; A552-I555 HydrophobicContact CB-CD1 4.22Å; A552-I555 HydrophobicContact CB-CG1 4.32Å; A552-I555 WeakPolarHBondContact O-CB 3.5Å; A552-I555 PolarHBondContact O-N 2.93Å; Y553-I555 VanDerWaalsContact C-N 3.3Å; Y553-I555 PolarHBondContact O-N 3.33Å; I555-M557 VanDerWaalsContact C-N 3.31Å; I555-M557 PolarHBondContact O-N 3.43Å; I555-C558 WeakPolarHBondContact O-CB 3.27Å; I555-C558 PolarHBondContact O-N 3.48Å; I555-C558 VanDerWaalsContact O-N 3.13Å; I555-I559 HydrophobicContact CG2-CD1 4.03Å; I555-I559 HydrophobicContact CG2-CG1 4.41Å; I555-I559 WeakPolarHBondContact O-CG1 3.46Å; I555-I559 PolarHBondContact O-N 2.97Å
556	W	91.4	Very high	89.5	Confident	73 Å²	73	65.9 Å²	65.9	28%	0.277	34%	0.343	S	S	.	.	H	α-helix	trans	-57.3	-44.6	174.4	-77.1	112.1	0	0	0	112	L548 L551 A552 Y553 C558 I559 V560 Y648	L548-W556 HydrophobicContact CD2-CH2 4.1Å; L548-W556 HydrophobicContact CD2-CZ2 3.66Å; L548-W556 PolarHBondContact O-NE1 3.07Å; L551-W556 HydrophobicContact CB-CZ2 4.47Å; L551-W556 HydrophobicContact CD1-CZ2 4.22Å; L551-W556 PolarHBondContact O-NE1 3.03Å; A552-W556 PolarHBondContact O-N 3.26Å; Y553-W556 WeakPolarHBondContact O-CB 3.44Å; Y553-W556 PolarHBondContact O-N 3.17Å; W556-C558 PolarHBondContact O-N 3.11Å; W556-I559 HydrophobicContact CE3-CD1 4.39Å; W556-I559 PolarHBondContact O-N 3.22Å; W556-V560 WeakPolarHBondContact O-CG2 3.36Å; W556-V560 PolarHBondContact O-N 3.22Å; W556-V560 VanDerWaalsContact O-N 3.15Å; W556-Y648 HydrophobicContact CZ2-CE2 4.31Å
557	M	92	Very high	90.1	Very high	71 Å²	71	65.4 Å²	65.4	35%	0.35	34%	0.34	S	S	.	.	H	α-helix	trans	-62.5	-42	174.9	-68.4	-61.7	-67.3	0	0	111.9	Y553 E554 I555 I559 V560 F561	Y553-M557 HydrophobicContact CD1-CG 4.4Å; Y553-M557 HydrophobicContact CE1-CG 3.9Å; Y553-M557 HydrophobicContact CE2-CG 4.35Å; Y553-M557 HydrophobicContact CE2-SD 4.45Å; Y553-M557 PolarHBondContact O-N 2.88Å; Y553-M557 VanDerWaalsContact O-N 3.1Å; E554-M557 PolarHBondContact O-N 3.23Å; I555-M557 VanDerWaalsContact C-N 3.31Å; I555-M557 PolarHBondContact O-N 3.43Å; M557-I559 VanDerWaalsContact C-N 3.35Å; M557-I559 PolarHBondContact O-N 3.45Å; M557-V560 PolarHBondContact O-N 3.28Å; M557-F561 HydrophobicContact CB-CE2 4.48Å; M557-F561 HydrophobicContact CE-CE2 4.2Å; M557-F561 HydrophobicContact CE-CZ 4.12Å; M557-F561 WeakPolarHBondContact O-CD2 3.35Å; M557-F561 PolarHBondContact O-N 3.2Å
558	C	93.1	Very high	90.5	Very high	78 Å²	78	63.9 Å²	63.9	53%	0.527	34%	0.339	S	S	.	.	H	α-helix	trans	-63	-38.8	176.3	-67.1	0	0	0	0	112.6	E554 I555 W556 V560 F561 A562	E554-C558 PolarHBondContact O-N 3.41Å; E554-C558 PolarHBondContact O-SG 2.74Å; I555-C558 WeakPolarHBondContact O-CB 3.27Å; I555-C558 PolarHBondContact O-N 3.48Å; I555-C558 VanDerWaalsContact O-N 3.13Å; W556-C558 PolarHBondContact O-N 3.11Å; C558-V560 VanDerWaalsContact C-N 3.35Å; C558-F561 PolarHBondContact O-N 3.34Å; C558-A562 VanDerWaalsContact O-CB 3.24Å; C558-A562 WeakPolarHBondContact O-CB 3.37Å; C558-A562 PolarHBondContact O-N 3.27Å
559	I	92.2	Very high	90.6	Very high	12 Å²	12	64.1 Å²	64.1	6%	0.062	34%	0.343	C	S	.	.	H	α-helix	trans	-62.3	-43.6	176.3	-69.3	165	0	0	0	110.4	L551 I555 W556 M557 A562 Y563 F616 I644	L551-I559 HydrophobicContact CD1-CD1 4.31Å; I555-I559 HydrophobicContact CG2-CD1 4.03Å; I555-I559 HydrophobicContact CG2-CG1 4.41Å; I555-I559 WeakPolarHBondContact O-CG1 3.46Å; I555-I559 PolarHBondContact O-N 2.97Å; W556-I559 HydrophobicContact CE3-CD1 4.39Å; W556-I559 PolarHBondContact O-N 3.22Å; M557-I559 VanDerWaalsContact C-N 3.35Å; M557-I559 PolarHBondContact O-N 3.45Å; I559-A562 PolarHBondContact O-N 3.47Å; I559-Y563 VanDerWaalsContact O-CB 3.24Å; I559-Y563 WeakPolarHBondContact O-CB 3.49Å; I559-Y563 PolarHBondContact O-N 3.45Å; I559-F616 HydrophobicContact CG2-CE2 3.74Å; I559-F616 HydrophobicContact CG2-CZ 3.81Å; I559-I644 HydrophobicContact CD1-CG2 3.83Å
560	V	91.9	Very high	90.6	Very high	74 Å²	74	60 Å²	60	45%	0.448	32%	0.321	S	S	.	.	H	α-helix	trans	-62.8	-44.9	177.4	174.1	0	0	0	0	111.2	W556 M557 C558 Y563 I564	W556-V560 WeakPolarHBondContact O-CG2 3.36Å; W556-V560 PolarHBondContact O-N 3.22Å; W556-V560 VanDerWaalsContact O-N 3.15Å; M557-V560 PolarHBondContact O-N 3.28Å; C558-V560 VanDerWaalsContact C-N 3.35Å; V560-Y563 PolarHBondContact O-N 3.39Å; V560-I564 HydrophobicContact CG1-CD1 4.13Å; V560-I564 WeakPolarHBondContact O-CG1 3.29Å; V560-I564 PolarHBondContact O-N 3.33Å; V560-I564 VanDerWaalsContact O-N 3.11Å
561	F	92.6	Very high	90.5	Very high	135 Å²	135	62 Å²	62	59%	0.592	33%	0.329	S	S	*	.	H	α-helix	trans	-66.4	-41.6	177.1	-68.6	-47.1	0	0	0	112.7	M557 C558 I564 G565	M557-F561 HydrophobicContact CB-CE2 4.48Å; M557-F561 HydrophobicContact CE-CE2 4.2Å; M557-F561 HydrophobicContact CE-CZ 4.12Å; M557-F561 WeakPolarHBondContact O-CD2 3.35Å; M557-F561 PolarHBondContact O-N 3.2Å; C558-F561 PolarHBondContact O-N 3.34Å; F561-I564 PolarHBondContact O-N 2.95Å; F561-G565 PolarHBondContact O-N 2.93Å
562	A	91.7	Very high	90.2	Very high	34 Å²	34	65 Å²	65	28%	0.281	35%	0.345	S	S	.	.	H	α-helix	trans	-63.9	-41.5	176.8	0	0	0	0	0	111.5	C558 I559 G565 V566 W637 F640	C558-A562 VanDerWaalsContact O-CB 3.24Å; C558-A562 WeakPolarHBondContact O-CB 3.37Å; C558-A562 PolarHBondContact O-N 3.27Å; I559-A562 PolarHBondContact O-N 3.47Å; A562-G565 PolarHBondContact O-N 3.33Å; A562-V566 WeakPolarHBondContact O-CB 3.24Å; A562-V566 VanDerWaalsContact O-CG2 3.29Å; A562-V566 WeakPolarHBondContact O-CG2 3.4Å; A562-V566 PolarHBondContact O-N 3Å; A562-W637 HydrophobicContact CB-CZ3 4.23Å; A562-F640 HydrophobicContact CB-CE1 4.5Å
563	Y	91.7	Very high	89.9	Confident	43 Å²	43	64.4 Å²	64.4	17%	0.169	34%	0.336	C	S	.	.	H	α-helix	trans	-56.6	-56.2	174.5	164.6	-111.4	0	0	0	111.4	I559 V560 G565 V566 S567 L609 S612 L613 W637	I559-Y563 VanDerWaalsContact O-CB 3.24Å; I559-Y563 WeakPolarHBondContact O-CB 3.49Å; I559-Y563 PolarHBondContact O-N 3.45Å; V560-Y563 PolarHBondContact O-N 3.39Å; Y563-G565 VanDerWaalsContact C-N 3.31Å; Y563-G565 PolarHBondContact O-N 3.31Å; Y563-V566 PolarHBondContact O-N 3.28Å; Y563-S567 PolarHBondContact O-N 2.95Å; Y563-S567 PolarHBondContact O-OG 3.22Å; Y563-L609 HydrophobicContact CE1-CD1 3.88Å; Y563-L609 HydrophobicContact CE1-CG 4.33Å; Y563-L609 VanDerWaalsContact OH-CG 3.27Å; Y563-L609 WeakPolarHBondContact OH-CG 3.49Å; Y563-S612 WeakPolarHBondContact CE2-OG 3.47Å; Y563-L613 HydrophobicContact CE2-CB 3.86Å; Y563-L613 HydrophobicContact CE2-CD1 4.29Å; Y563-W637 HydrophobicContact CD2-CZ2 4.26Å
564	I	92	Very high	89.3	Confident	82 Å²	82	56.3 Å²	56.3	42%	0.421	31%	0.305	S	S	.	.	H	α-helix	trans	-60	-43.7	178.6	-63.5	168.2	0	0	0	110.7	V560 F561 V566 S567 V568	V560-I564 HydrophobicContact CG1-CD1 4.13Å; V560-I564 WeakPolarHBondContact O-CG1 3.29Å; V560-I564 PolarHBondContact O-N 3.33Å; V560-I564 VanDerWaalsContact O-N 3.11Å; F561-I564 PolarHBondContact O-N 2.95Å; I564-V566 PolarHBondContact O-N 3.44Å; I564-S567 PolarHBondContact O-N 3.43Å; I564-V568 HydrophobicContact CG2-CG2 4.42Å; I564-V568 WeakPolarHBondContact O-CG2 3.38Å; I564-V568 PolarHBondContact O-N 3.15Å
565	G	91.4	Very high	88.4	Confident	33 Å²	33	56.4 Å²	56.4	34%	0.34	30%	0.299	S	S	.	.	H	α-helix	trans	-59.2	-45.3	179	0	0	0	0	0	112.6	F561 A562 Y563 V568 V569	F561-G565 PolarHBondContact O-N 2.93Å; A562-G565 PolarHBondContact O-N 3.33Å; Y563-G565 VanDerWaalsContact C-N 3.31Å; Y563-G565 PolarHBondContact O-N 3.31Å; G565-V568 PolarHBondContact O-N 3.47Å; G565-V569 VanDerWaalsContact O-CG2 3.28Å; G565-V569 WeakPolarHBondContact O-CG2 3.36Å; G565-V569 PolarHBondContact O-N 3.16Å
566	V	90.4	Very high	87.5	Confident	30 Å²	30	61 Å²	61	18%	0.182	32%	0.317	C	S	.	.	H	α-helix	trans	-67.4	-41.3	177.3	170.7	0	0	0	0	111.3	A562 Y563 I564 V568 V569 L570 V633 W637	A562-V566 WeakPolarHBondContact O-CB 3.24Å; A562-V566 VanDerWaalsContact O-CG2 3.29Å; A562-V566 WeakPolarHBondContact O-CG2 3.4Å; A562-V566 PolarHBondContact O-N 3Å; Y563-V566 PolarHBondContact O-N 3.28Å; I564-V566 PolarHBondContact O-N 3.44Å; V566-V568 VanDerWaalsContact C-N 3.3Å; V566-V568 PolarHBondContact O-N 2.96Å; V566-V569 PolarHBondContact O-N 3.36Å; V566-L570 VanDerWaalsContact O-CB 3.23Å; V566-L570 WeakPolarHBondContact O-CB 3.34Å; V566-L570 PolarHBondContact O-N 3.39Å; V566-V633 HydrophobicContact CG1-CG1 4.28Å; V566-W637 HydrophobicContact CB-CD2 4.33Å; V566-W637 HydrophobicContact CB-CE3 4.13Å; V566-W637 HydrophobicContact CB-CZ3 4.44Å; V566-W637 HydrophobicContact CG1-CB 4.08Å; V566-W637 HydrophobicContact CG1-CD2 3.94Å; V566-W637 HydrophobicContact CG1-CE3 4.18Å; V566-W637 HydrophobicContact CG1-CG 3.91Å; V566-W637 HydrophobicContact CG2-CD2 4.26Å; V566-W637 HydrophobicContact CG2-CE3 3.64Å; V566-W637 HydrophobicContact CG2-CZ3 3.98Å
567	S	89.3	Confident	86.6	Confident	6 Å²	6	58.3 Å²	58.3	4%	0.042	31%	0.31	C	S	.	.	H	α-helix	trans	-60.4	-40.2	175.9	-43.5	0	0	0	0	112.1	Y563 I564 F571 S612	Y563-S567 PolarHBondContact O-N 2.95Å; Y563-S567 PolarHBondContact O-OG 3.22Å; I564-S567 PolarHBondContact O-N 3.43Å; S567-F571 VanDerWaalsContact O-CB 3.32Å; S567-F571 WeakPolarHBondContact O-CB 3.28Å; S567-F571 PolarHBondContact O-N 3.39Å; S567-S612 PolarHBondContact OG-OG 3.34Å
568	V	89.1	Confident	85.2	Confident	75 Å²	75	59.2 Å²	59.2	46%	0.455	32%	0.32	S	S	.	.	H	α-helix	trans	-69.5	-45.5	177.5	171.6	0	0	0	0	111.3	I564 G565 V566 L570 F571 L572	I564-V568 HydrophobicContact CG2-CG2 4.42Å; I564-V568 WeakPolarHBondContact O-CG2 3.38Å; I564-V568 PolarHBondContact O-N 3.15Å; G565-V568 PolarHBondContact O-N 3.47Å; V566-V568 VanDerWaalsContact C-N 3.3Å; V566-V568 PolarHBondContact O-N 2.96Å; V568-L570 VanDerWaalsContact C-N 3.31Å; V568-L570 PolarHBondContact O-N 3.05Å; V568-F571 PolarHBondContact O-N 3.07Å; V568-L572 HydrophobicContact CG1-CD1 4.04Å; V568-L572 HydrophobicContact CG1-CG 4.43Å; V568-L572 VanDerWaalsContact O-CG 3.3Å; V568-L572 WeakPolarHBondContact O-CG 3.48Å; V568-L572 PolarHBondContact O-N 2.74Å
569	V	88.7	Confident	83.7	Confident	71 Å²	71	65 Å²	65	43%	0.43	33%	0.333	S	S	.	.	H	α-helix	trans	-61	-43.3	177.3	169.7	0	0	0	0	110.7	G565 V566 L572 V573 V633	G565-V569 VanDerWaalsContact O-CG2 3.28Å; G565-V569 WeakPolarHBondContact O-CG2 3.36Å; G565-V569 PolarHBondContact O-N 3.16Å; V566-V569 PolarHBondContact O-N 3.36Å; V569-L572 PolarHBondContact O-N 3.47Å; V569-V573 HydrophobicContact CG1-CG2 4.29Å; V569-V573 WeakPolarHBondContact O-CB 3.35Å; V569-V573 VanDerWaalsContact O-CG2 3.28Å; V569-V573 WeakPolarHBondContact O-CG2 3.49Å; V569-V573 PolarHBondContact O-N 2.93Å; V569-V633 HydrophobicContact CG1-CG1 4.2Å; V569-V633 HydrophobicContact CG1-CG2 4.08Å
570	L	84.6	Confident	82.2	Confident	1 Å²	1	65 Å²	65	1%	0.005	33%	0.332	C	S	.	.	H	α-helix	trans	-64.4	-45.5	178.2	-162.4	143.9	0	0	0	110.9	V566 V568 L572 V573 S574 F603 F611 V633	V566-L570 VanDerWaalsContact O-CB 3.23Å; V566-L570 WeakPolarHBondContact O-CB 3.34Å; V566-L570 PolarHBondContact O-N 3.39Å; V568-L570 VanDerWaalsContact C-N 3.31Å; V568-L570 PolarHBondContact O-N 3.05Å; L570-L572 VanDerWaalsContact C-N 3.35Å; L570-L572 PolarHBondContact O-N 2.8Å; L570-V573 PolarHBondContact O-N 2.98Å; L570-S574 VanDerWaalsContact O-CB 3.25Å; L570-S574 WeakPolarHBondContact O-CB 3.42Å; L570-S574 PolarHBondContact O-N 3.26Å; L570-S574 PolarHBondContact O-OG 2.85Å; L570-F603 HydrophobicContact CD2-CD1 3.46Å; L570-F603 VanDerWaalsContact CD2-CD1 3.46Å; L570-F603 HydrophobicContact CD2-CE1 3.61Å; L570-F603 HydrophobicContact CD2-CG 4.28Å; L570-F611 HydrophobicContact CD1-CD1 3.63Å; L570-F611 HydrophobicContact CD1-CE1 3.64Å; L570-F611 HydrophobicContact CD2-CD1 4.42Å; L570-V633 HydrophobicContact CB-CG1 4.42Å; L570-V633 HydrophobicContact CD1-CG1 4.38Å
571	F	84.9	Confident	80.9	Confident	55 Å²	55	63.7 Å²	63.7	24%	0.241	32%	0.32	C	S	.	.	H	α-helix	trans	-56.2	-44.9	173.1	171.1	-107	0	0	0	113	S567 V568 R575 I605	S567-F571 VanDerWaalsContact O-CB 3.32Å; S567-F571 WeakPolarHBondContact O-CB 3.28Å; S567-F571 PolarHBondContact O-N 3.39Å; V568-F571 PolarHBondContact O-N 3.07Å; F571-R575 WeakPolarHBondContact O-CB 3.46Å; F571-R575 PolarHBondContact O-N 3.29Å; F571-I605 HydrophobicContact CD1-CG1 4.1Å; F571-I605 HydrophobicContact CD2-CB 4.42Å; F571-I605 HydrophobicContact CD2-CG1 3.69Å; F571-I605 HydrophobicContact CE1-CD1 4.3Å; F571-I605 HydrophobicContact CE1-CG1 3.86Å; F571-I605 HydrophobicContact CE2-CB 4.47Å; F571-I605 HydrophobicContact CE2-CD1 4.39Å; F571-I605 HydrophobicContact CE2-CG1 3.43Å; F571-I605 VanDerWaalsContact CE2-CG1 3.43Å; F571-I605 HydrophobicContact CG-CG1 4.02Å; F571-I605 HydrophobicContact CZ-CD1 4.03Å; F571-I605 HydrophobicContact CZ-CG1 3.51Å
572	L	83.3	Confident	79.3	Confident	78 Å²	78	60.7 Å²	60.7	41%	0.408	31%	0.307	S	S	.	.	H	α-helix	trans	-65.8	-49.7	179	-69.6	171.7	0	0	0	111.4	V568 V569 L570 S574 R575 F576	V568-L572 HydrophobicContact CG1-CD1 4.04Å; V568-L572 HydrophobicContact CG1-CG 4.43Å; V568-L572 VanDerWaalsContact O-CG 3.3Å; V568-L572 WeakPolarHBondContact O-CG 3.48Å; V568-L572 PolarHBondContact O-N 2.74Å; V569-L572 PolarHBondContact O-N 3.47Å; L570-L572 VanDerWaalsContact C-N 3.35Å; L570-L572 PolarHBondContact O-N 2.8Å; L572-S574 PolarHBondContact O-N 3.18Å; L572-R575 PolarHBondContact O-N 2.93Å; L572-R575 VanDerWaalsContact O-N 3.13Å; L572-F576 HydrophobicContact CB-CD2 4.47Å; L572-F576 HydrophobicContact CD2-CE2 4.11Å; L572-F576 WeakPolarHBondContact O-CD2 3.03Å; L572-F576 PolarHBondContact O-N 2.76Å
573	V	83.3	Confident	77.3	Confident	36 Å²	36	66.5 Å²	66.5	22%	0.218	33%	0.332	C	S	.	.	H	α-helix	trans	-59	-40	179	170.8	0	0	0	0	110.7	V569 L570 F576 S577	V569-V573 HydrophobicContact CG1-CG2 4.29Å; V569-V573 WeakPolarHBondContact O-CB 3.35Å; V569-V573 VanDerWaalsContact O-CG2 3.28Å; V569-V573 WeakPolarHBondContact O-CG2 3.49Å; V569-V573 PolarHBondContact O-N 2.93Å; L570-V573 PolarHBondContact O-N 2.98Å; V573-F576 PolarHBondContact O-N 3.09Å; V573-S577 WeakPolarHBondContact O-CB 3.49Å; V573-S577 PolarHBondContact O-N 2.91Å
574	S	76	Confident	75.2	Confident	0 Å²	0	72.6 Å²	72.6	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-67.6	-35.1	176.9	-67.4	0	0	0	0	113.9	L570 L572 E580 N601	L570-S574 VanDerWaalsContact O-CB 3.25Å; L570-S574 WeakPolarHBondContact O-CB 3.42Å; L570-S574 PolarHBondContact O-N 3.26Å; L570-S574 PolarHBondContact O-OG 2.85Å; L572-S574 PolarHBondContact O-N 3.18Å; S574-E580 WeakPolarHBondContact CA-OE2 3.15Å; S574-E580 WeakPolarHBondContact CB-OE2 3.23Å; S574-E580 PolarHBondContact OG-OE2 3.33Å; S574-N601 PolarHBondContact O-ND2 3.26Å
575	R	75.6	Confident	72.8	Confident	128 Å²	128	76.3 Å²	76.3	48%	0.483	38%	0.383	S	S	.	.	H	α-helix	trans	-73	-35.3	176.7	-170.3	71	-177.2	77.2	-13	112.6	F571 L572 W581	F571-R575 WeakPolarHBondContact O-CB 3.46Å; F571-R575 PolarHBondContact O-N 3.29Å; L572-R575 PolarHBondContact O-N 2.93Å; L572-R575 VanDerWaalsContact O-N 3.13Å; R575-W581 VanDerWaalsContact CZ-CH2 3.48Å; R575-W581 VanDerWaalsContact NH1-CH2 3.3Å; R575-W581 PolarHBondContact O-NE1 2.9Å
576	F	73.4	Confident	70.6	Confident	166 Å²	166	81.7 Å²	81.7	73%	0.728	40%	0.404	S	S	*	.	H	α-helix	trans	-93	-20.8	-173.9	-73.4	-66.4	0	0	0	114.8	L572 V573 P578	L572-F576 HydrophobicContact CB-CD2 4.47Å; L572-F576 HydrophobicContact CD2-CE2 4.11Å; L572-F576 WeakPolarHBondContact O-CD2 3.03Å; L572-F576 PolarHBondContact O-N 2.76Å; V573-F576 PolarHBondContact O-N 3.09Å; F576-P578 VanDerWaalsContact O-CD 3.29Å; F576-P578 WeakPolarHBondContact O-CD 3.44Å
577	S	71.3	Confident	68.2	Low	17 Å²	17	87.8 Å²	87.8	12%	0.119	44%	0.436	C	S	.	.			trans	-82.2	112.7	178.1	173.5	0	0	0	0	111.1	V573 Y579 E580 W581 S627	V573-S577 WeakPolarHBondContact O-CB 3.49Å; V573-S577 PolarHBondContact O-N 2.91Å; S577-Y579 PolarHBondContact O-N 3.4Å; S577-Y579 VanDerWaalsContact O-N 3.13Å; S577-E580 PolarHBondContact O-N 3.06Å; S577-E580 VanDerWaalsContact O-N 3.16Å; S577-W581 VanDerWaalsContact O-CD1 3.26Å; S577-S627 VanDerWaalsContact OG-CB 3.23Å; S577-S627 WeakPolarHBondContact OG-CB 3.39Å
578	P	62.8	Low	65.8	Low	89 Å²	89	96.6 Å²	96.6	58%	0.578	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-61	-25.8	-178.8	-21.1	33.4	0	0	0	113.5	F576 E580 W581	F576-P578 VanDerWaalsContact O-CD 3.29Å; F576-P578 WeakPolarHBondContact O-CD 3.44Å; P578-E580 VanDerWaalsContact C-N 3.25Å; P578-E580 PolarHBondContact O-N 3.35Å; P578-W581 PolarHBondContact O-N 3.3Å
579	Y	62.3	Low	63.4	Low	200 Å²	200	102 Å²	102	78%	0.784	50%	0.497	S	S	*	.	G	3₁₀ helix	trans	-75.2	-6	-179.5	-58.2	-75.2	0	0	0	114.9	S577	S577-Y579 PolarHBondContact O-N 3.4Å; S577-Y579 VanDerWaalsContact O-N 3.13Å
580	E	61	Low	61.5	Low	11 Å²	11	104 Å²	104	5%	0.051	51%	0.511	C	S	.	.	G	3₁₀ helix	trans	-95.5	-10.7	171.4	-91.8	179.2	-152.9	0	0	113.4	S574 S577 P578 R626 S627	S574-E580 WeakPolarHBondContact CA-OE2 3.15Å; S574-E580 WeakPolarHBondContact CB-OE2 3.23Å; S574-E580 PolarHBondContact OG-OE2 3.33Å; S577-E580 PolarHBondContact O-N 3.06Å; S577-E580 VanDerWaalsContact O-N 3.16Å; P578-E580 VanDerWaalsContact C-N 3.25Å; P578-E580 PolarHBondContact O-N 3.35Å; E580-R626 HydrophobicContact CG-CB 4.3Å; E580-S627 WeakPolarHBondContact OE1-CB 3.25Å; E580-S627 PolarHBondContact OE1-N 3.21Å; E580-S627 PolarHBondContact OE1-OG 3.29Å
581	W	64.4	Low	59.3	Low	48 Å²	48	115.4 Å²	115.4	18%	0.182	55%	0.554	C	S	.	*	S	Bend	trans	-80.3	134.3	172.7	-63.2	75.2	0	0	0	108.9	R575 S577 P578 L583 P599 N601	R575-W581 VanDerWaalsContact CZ-CH2 3.48Å; R575-W581 VanDerWaalsContact NH1-CH2 3.3Å; R575-W581 PolarHBondContact O-NE1 2.9Å; S577-W581 VanDerWaalsContact O-CD1 3.26Å; P578-W581 PolarHBondContact O-N 3.3Å; W581-L583 PolarHBondContact O-N 2.75Å; W581-P599 HydrophobicContact CE3-CB 3.94Å; W581-P599 HydrophobicContact CE3-CG 3.78Å; W581-P599 HydrophobicContact CZ3-CG 4.49Å; W581-P599 VanDerWaalsContact CZ3-O 3.25Å; W581-P599 WeakPolarHBondContact CZ3-O 3.5Å; W581-N601 HydrophobicContact CD2-CB 4.4Å; W581-N601 HydrophobicContact CE3-CB 4.29Å; W581-N601 HydrophobicContact CH2-CB 4.14Å; W581-N601 HydrophobicContact CZ2-CB 4.22Å; W581-N601 HydrophobicContact CZ3-CB 4.18Å
582	H	59	Low	57	Low	71 Å²	71	119.5 Å²	119.5	33%	0.329	58%	0.579	S	S	.	*			trans	-63.2	101.5	169.4	-85.7	-97.8	0	0	0	108.8	E584 P599 R626	H582-E584 PolarHBondContact O-N 2.96Å; H582-P599 WeakPolarHBondContact O-CB 3.39Å; H582-R626 PolarHBondContact CE1-NH1 3.17Å; H582-R626 PolarHBondContact NE2-NH1 2.97Å
583	L	49.5	Very low	55.5	Low	156 Å²	156	121.8 Å²	121.8	82%	0.817	60%	0.598	S	S	*	*			trans	-74.4	105.4	155	-80.1	160.7	0	0	0	105.3	W581 D585	W581-L583 PolarHBondContact O-N 2.75Å; L583-D585 PolarHBondContact O-N 2.62Å
584	E	46.8	Very low	53.7	Low	171 Å²	171	129.1 Å²	129.1	80%	0.799	63%	0.63	S	S	*	*			trans	-57.8	104.3	161.5	-81.8	179	155.2	0	0	107.3	H582 N586	H582-E584 PolarHBondContact O-N 2.96Å; E584-N586 VanDerWaalsContact C-N 3.33Å; E584-N586 PolarHBondContact O-N 2.87Å
585	D	42.1	Very low	52.1	Low	161 Å²	161	133.8 Å²	133.8	86%	0.861	66%	0.662	S	S	*	*			trans	-66	103.2	157.1	-94.1	-27.1	0	0	0	106.4	L583 N587	L583-D585 PolarHBondContact O-N 2.62Å; D585-N587 PolarHBondContact O-N 3.48Å; D585-N587 VanDerWaalsContact O-N 3.13Å
586	N	45.3	Very low	50.7	Low	145 Å²	145	132.7 Å²	132.7	78%	0.775	67%	0.672	S	S	*	*			trans	-43.4	110.6	174.9	-69.2	-61.5	0	0	0	111.9	E584	E584-N586 VanDerWaalsContact C-N 3.33Å; E584-N586 PolarHBondContact O-N 2.87Å
587	N	39.5	Very low	49.5	Very low	158 Å²	158	130.8 Å²	130.8	85%	0.845	68%	0.676	S	S	*	*			trans	-168.5	89.8	145.8	-91.7	-21.1	0	0	0	109.4	D585	D585-N587 PolarHBondContact O-N 3.48Å; D585-N587 VanDerWaalsContact O-N 3.13Å
588	E	38.1	Very low	48.2	Very low	191 Å²	191	135.8 Å²	135.8	89%	0.893	70%	0.702	S	S	*	*	S	Bend		153.1	114.1	128.2	-80.9	179.6	177.1	0	0	112.7
589	E	40.8	Very low	47.8	Very low	190 Å²	190	134.1 Å²	134.1	89%	0.888	69%	0.691	S	S	*	*			trans	64.2	134.3	156.9	-60.4	-162.6	157.2	0	0	123.2
590	P	46.8	Very low	47.6	Very low	112 Å²	112	129.1 Å²	129.1	73%	0.727	68%	0.683	S	S	*	*			trans	-93.3	136.1	-175.1	36	-29.8	0	0	0	112.5
591	R	39.9	Very low	47.7	Very low	241 Å²	241	130 Å²	130	91%	0.909	69%	0.688	S	S	*	*				159.4	114.4	127.8	-88	160.7	178.1	170.8	1.3	112.7
592	D	36.7	Very low	47.8	Very low	141 Å²	141	132 Å²	132	75%	0.754	70%	0.7	S	S	*	*				-157.7	129.2	115.6	-137.6	-13.3	0	0	0	109.4	Q594	D592-Q594 PolarHBondContact O-N 2.82Å
593	P	50.3	Low	48.4	Very low	126 Å²	126	129.1 Å²	129.1	82%	0.818	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	34.7	-168.9	20.5	-6.1	0	0	0	115.3
594	Q	46	Very low	49.6	Very low	189 Å²	189	123 Å²	123	88%	0.883	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.5	16.1	-176.6	-90.7	-177.9	-0.7	0	0	117.4	D592	D592-Q594 PolarHBondContact O-N 2.82Å
595	S	42.3	Very low	51.1	Low	98 Å²	98	120.1 Å²	120.1	69%	0.685	65%	0.65	S	S	*	*	S	Bend	trans	-108.3	139.9	170.3	48.9	0	0	0	0	112.3
596	P	45.8	Very low	53	Low	105 Å²	105	120.6 Å²	120.6	68%	0.682	64%	0.644	S	S	*	*			trans	-64.1	148.1	174	25.4	-31.3	0	0	0	111.3	D598	P596-D598 VanDerWaalsContact C-N 3.35Å; P596-D598 PolarHBondContact O-N 2.89Å; P596-D598 VanDerWaalsContact O-N 3.09Å
597	P	48.1	Very low	54.8	Low	127 Å²	127	116.9 Å²	116.9	83%	0.825	62%	0.624	S	S	*	*	S	Bend	trans	-86.9	72.4	-177.2	36.7	-32.5	0	0	0	109.9
598	D	44.8	Very low	57	Low	121 Å²	121	109.3 Å²	109.3	65%	0.647	58%	0.584	S	S	*	*			trans	-125.6	122	166.5	-79.1	-41.9	0	0	0	108.1	P596	P596-D598 VanDerWaalsContact C-N 3.35Å; P596-D598 PolarHBondContact O-N 2.89Å; P596-D598 VanDerWaalsContact O-N 3.09Å
599	P	54.9	Low	59.4	Low	55 Å²	55	103.3 Å²	103.3	36%	0.357	56%	0.558	S	S	.	*			trans	-60.8	139.6	179.2	-7.6	17.1	0	0	0	109.7	W581 H582 N601	W581-P599 HydrophobicContact CE3-CB 3.94Å; W581-P599 HydrophobicContact CE3-CG 3.78Å; W581-P599 HydrophobicContact CZ3-CG 4.49Å; W581-P599 VanDerWaalsContact CZ3-O 3.25Å; W581-P599 WeakPolarHBondContact CZ3-O 3.5Å; H582-P599 WeakPolarHBondContact O-CB 3.39Å; P599-N601 PolarHBondContact O-N 2.78Å
600	P	57.8	Low	61.5	Low	94 Å²	94	102 Å²	102	61%	0.61	55%	0.545	S	S	*	.			trans	-68.3	105.5	178.6	26.8	-31.8	0	0	0	109.3	E602	P600-E602 PolarHBondContact O-N 2.89Å
601	N	63.8	Low	63.4	Low	31 Å²	31	97.2 Å²	97.2	17%	0.166	51%	0.512	C	S	.	.			trans	-77.9	112.3	160.9	-170.9	-16	0	0	0	107.7	S574 W581 P599 F603	S574-N601 PolarHBondContact O-ND2 3.26Å; W581-N601 HydrophobicContact CD2-CB 4.4Å; W581-N601 HydrophobicContact CE3-CB 4.29Å; W581-N601 HydrophobicContact CH2-CB 4.14Å; W581-N601 HydrophobicContact CZ2-CB 4.22Å; W581-N601 HydrophobicContact CZ3-CB 4.18Å; P599-N601 PolarHBondContact O-N 2.78Å; N601-F603 PolarHBondContact O-N 3.47Å; N601-F603 PolarHBondContact OD1-N 3.13Å
602	E	65.9	Low	65.7	Low	90 Å²	90	85.7 Å²	85.7	42%	0.421	47%	0.469	S	S	.	.	S	Bend	trans	-65.2	-17.5	-179.6	-66.3	-179.8	167.5	0	0	112.3	P600 G604 N607 I623	P600-E602 PolarHBondContact O-N 2.89Å; E602-G604 PolarHBondContact O-N 3.2Å; E602-N607 VanDerWaalsContact O-CB 3.29Å; E602-N607 WeakPolarHBondContact O-CB 3.37Å; E602-N607 PolarHBondContact O-ND2 2.88Å; E602-I623 HydrophobicContact CB-CG2 4.02Å
603	F	70.5	Confident	68.1	Low	10 Å²	10	81.7 Å²	81.7	4%	0.044	45%	0.447	C	S	.	.			trans	-90.7	74	176.9	-77.3	-79.9	0	0	0	113	L570 N601 F611 I623 P625	L570-F603 HydrophobicContact CD2-CD1 3.46Å; L570-F603 VanDerWaalsContact CD2-CD1 3.46Å; L570-F603 HydrophobicContact CD2-CE1 3.61Å; L570-F603 HydrophobicContact CD2-CG 4.28Å; N601-F603 PolarHBondContact O-N 3.47Å; N601-F603 PolarHBondContact OD1-N 3.13Å; F603-F611 HydrophobicContact CE1-CB 4.06Å; F603-F611 HydrophobicContact CE1-CD1 4.5Å; F603-F611 HydrophobicContact CE1-CD2 4.31Å; F603-F611 HydrophobicContact CE1-CG 4.03Å; F603-F611 HydrophobicContact CZ-CD2 4.49Å; F603-I623 HydrophobicContact CD2-CG2 4.25Å; F603-I623 HydrophobicContact CE1-CG2 4.19Å; F603-I623 HydrophobicContact CE2-CG2 3.66Å; F603-I623 HydrophobicContact CZ-CB 4.47Å; F603-I623 HydrophobicContact CZ-CG2 3.63Å; F603-P625 HydrophobicContact CE2-CB 4.36Å; F603-P625 HydrophobicContact CZ-CB 4.29Å
604	G	75.1	Confident	69.9	Low	28 Å²	28	76.1 Å²	76.1	29%	0.289	41%	0.413	S	S	.	.			trans	-70.2	172.4	161.4	0	0	0	0	0	113	E602 F606 N607 S608	E602-G604 PolarHBondContact O-N 3.2Å; G604-F606 VanDerWaalsContact C-N 3.3Å; G604-F606 PolarHBondContact O-N 3.01Å; G604-N607 PolarHBondContact O-N 3.29Å; G604-S608 WeakPolarHBondContact O-CB 3.45Å; G604-S608 PolarHBondContact O-N 3.43Å; G604-S608 PolarHBondContact O-OG 2.83Å
605	I	79	Confident	71.8	Confident	110 Å²	110	67.6 Å²	67.6	56%	0.564	38%	0.375	S	S	*	.	H	α-helix	trans	-56	-46.7	176.9	-63.3	169.5	0	0	0	110.7	F571 S608 L609	F571-I605 HydrophobicContact CD1-CG1 4.1Å; F571-I605 HydrophobicContact CD2-CB 4.42Å; F571-I605 HydrophobicContact CD2-CG1 3.69Å; F571-I605 HydrophobicContact CE1-CD1 4.3Å; F571-I605 HydrophobicContact CE1-CG1 3.86Å; F571-I605 HydrophobicContact CE2-CB 4.47Å; F571-I605 HydrophobicContact CE2-CD1 4.39Å; F571-I605 HydrophobicContact CE2-CG1 3.43Å; F571-I605 VanDerWaalsContact CE2-CG1 3.43Å; F571-I605 HydrophobicContact CG-CG1 4.02Å; F571-I605 HydrophobicContact CZ-CD1 4.03Å; F571-I605 HydrophobicContact CZ-CG1 3.51Å; I605-S608 PolarHBondContact O-N 2.88Å; I605-L609 WeakPolarHBondContact O-CB 3.32Å; I605-L609 PolarHBondContact O-N 3.14Å
606	F	82.6	Confident	74	Confident	170 Å²	170	65.1 Å²	65.1	75%	0.746	35%	0.352	S	S	*	.	H	α-helix	trans	-68.5	-37.8	178.6	-69.5	-74.5	0	0	0	112.6	G604 L609 W610	G604-F606 VanDerWaalsContact C-N 3.3Å; G604-F606 PolarHBondContact O-N 3.01Å; F606-L609 PolarHBondContact O-N 2.77Å; F606-W610 VanDerWaalsContact O-CB 3.26Å; F606-W610 WeakPolarHBondContact O-CB 3.5Å; F606-W610 PolarHBondContact O-N 3.04Å
607	N	82.9	Confident	75.9	Confident	67 Å²	67	65.2 Å²	65.2	36%	0.358	34%	0.344	S	S	.	.	H	α-helix	trans	-71.7	-33.2	179.2	-65.4	-8.5	0	0	0	111.5	E602 G604 W610 F611 I623	E602-N607 VanDerWaalsContact O-CB 3.29Å; E602-N607 WeakPolarHBondContact O-CB 3.37Å; E602-N607 PolarHBondContact O-ND2 2.88Å; G604-N607 PolarHBondContact O-N 3.29Å; N607-W610 PolarHBondContact O-N 2.82Å; N607-F611 VanDerWaalsContact O-CB 3.28Å; N607-F611 WeakPolarHBondContact O-CB 3.36Å; N607-F611 PolarHBondContact O-N 2.8Å; N607-I623 HydrophobicContact CB-CD1 4.35Å
608	S	84.9	Confident	77.6	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-68.3	-41.5	172.8	-55.7	0	0	0	0	111.6	G604 I605 S612	G604-S608 WeakPolarHBondContact O-CB 3.45Å; G604-S608 PolarHBondContact O-N 3.43Å; G604-S608 PolarHBondContact O-OG 2.83Å; I605-S608 PolarHBondContact O-N 2.88Å; S608-S612 PolarHBondContact O-N 2.74Å; S608-S612 PolarHBondContact O-OG 2.89Å; S608-S612 VanDerWaalsContact O-OG 3.13Å
609	L	87.8	Confident	79.2	Confident	64 Å²	64	67.2 Å²	67.2	34%	0.335	34%	0.339	S	S	.	.	H	α-helix	trans	-61.3	-48.3	173	-164.3	90	0	0	0	110.6	Y563 I605 F606 F611 S612 L613	Y563-L609 HydrophobicContact CE1-CD1 3.88Å; Y563-L609 HydrophobicContact CE1-CG 4.33Å; Y563-L609 VanDerWaalsContact OH-CG 3.27Å; Y563-L609 WeakPolarHBondContact OH-CG 3.49Å; I605-L609 WeakPolarHBondContact O-CB 3.32Å; I605-L609 PolarHBondContact O-N 3.14Å; F606-L609 PolarHBondContact O-N 2.77Å; L609-F611 PolarHBondContact O-N 3.05Å; L609-S612 PolarHBondContact O-N 3.2Å; L609-S612 PolarHBondContact O-OG 2.98Å; L609-L613 PolarHBondContact O-N 3.22Å
610	W	86.7	Confident	80.1	Confident	164 Å²	164	67.1 Å²	67.1	62%	0.621	35%	0.347	S	S	*	.	H	α-helix	trans	-61.3	-43.5	178.2	-170.2	-110.4	0	0	0	112.6	F606 N607 L613 G614	F606-W610 VanDerWaalsContact O-CB 3.26Å; F606-W610 WeakPolarHBondContact O-CB 3.5Å; F606-W610 PolarHBondContact O-N 3.04Å; N607-W610 PolarHBondContact O-N 2.82Å; W610-L613 HydrophobicContact CE3-CD2 4.44Å; W610-L613 HydrophobicContact CZ3-CD2 4.35Å; W610-L613 PolarHBondContact O-N 3.25Å; W610-G614 PolarHBondContact O-N 2.89Å
611	F	86.1	Confident	81	Confident	10 Å²	10	64.6 Å²	64.6	4%	0.044	33%	0.332	C	S	.	.	H	α-helix	trans	-59.5	-48.8	174.3	176	-95.8	0	0	0	111.5	L570 F603 N607 L609 L613 G614 A615 C621 I623 P625	L570-F611 HydrophobicContact CD1-CD1 3.63Å; L570-F611 HydrophobicContact CD1-CE1 3.64Å; L570-F611 HydrophobicContact CD2-CD1 4.42Å; F603-F611 HydrophobicContact CE1-CB 4.06Å; F603-F611 HydrophobicContact CE1-CD1 4.5Å; F603-F611 HydrophobicContact CE1-CD2 4.31Å; F603-F611 HydrophobicContact CE1-CG 4.03Å; F603-F611 HydrophobicContact CZ-CD2 4.49Å; N607-F611 VanDerWaalsContact O-CB 3.28Å; N607-F611 WeakPolarHBondContact O-CB 3.36Å; N607-F611 PolarHBondContact O-N 2.8Å; L609-F611 PolarHBondContact O-N 3.05Å; F611-L613 VanDerWaalsContact C-N 3.28Å; F611-L613 PolarHBondContact O-N 3.47Å; F611-G614 PolarHBondContact O-N 3.32Å; F611-A615 VanDerWaalsContact O-CB 3.27Å; F611-A615 WeakPolarHBondContact O-CB 3.34Å; F611-A615 PolarHBondContact O-N 3.48Å; F611-C621 HydrophobicContact CD2-CB 3.99Å; F611-I623 VanDerWaalsContact CD2-O 3.23Å; F611-I623 WeakPolarHBondContact CD2-O 3.45Å; F611-I623 WeakPolarHBondContact CE2-O 3.25Å; F611-P625 HydrophobicContact CZ-CG 4.15Å
612	S	86.8	Confident	81.3	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-63.8	-32.7	179.3	60.4	0	0	0	0	112.9	Y563 S567 S608 L609 F616 W637	Y563-S612 WeakPolarHBondContact CE2-OG 3.47Å; S567-S612 PolarHBondContact OG-OG 3.34Å; S608-S612 PolarHBondContact O-N 2.74Å; S608-S612 PolarHBondContact O-OG 2.89Å; S608-S612 VanDerWaalsContact O-OG 3.13Å; L609-S612 PolarHBondContact O-N 3.2Å; L609-S612 PolarHBondContact O-OG 2.98Å; S612-F616 WeakPolarHBondContact O-CB 3.48Å; S612-F616 PolarHBondContact O-N 3.03Å; S612-F616 VanDerWaalsContact O-N 3.09Å; S612-W637 PolarHBondContact O-NE1 2.72Å
613	L	88.8	Confident	81.6	Confident	56 Å²	56	68.8 Å²	68.8	29%	0.293	36%	0.357	S	S	.	.	H	α-helix	trans	-73.4	-45.4	175.7	-174.1	65.5	0	0	0	111.6	Y563 L609 W610 F611 A615 F616 M617	Y563-L613 HydrophobicContact CE2-CB 3.86Å; Y563-L613 HydrophobicContact CE2-CD1 4.29Å; L609-L613 PolarHBondContact O-N 3.22Å; W610-L613 HydrophobicContact CE3-CD2 4.44Å; W610-L613 HydrophobicContact CZ3-CD2 4.35Å; W610-L613 PolarHBondContact O-N 3.25Å; F611-L613 VanDerWaalsContact C-N 3.28Å; F611-L613 PolarHBondContact O-N 3.47Å; L613-A615 VanDerWaalsContact C-N 3.28Å; L613-A615 PolarHBondContact O-N 3.38Å; L613-F616 CarbonylContact O-C 3.58Å; L613-F616 WeakPolarHBondContact O-CA 3.42Å; L613-F616 WeakPolarHBondContact O-CB 3.48Å; L613-F616 PolarHBondContact O-N 3.24Å; L613-M617 HydrophobicContact CD1-CG 4.4Å; L613-M617 HydrophobicContact CD1-SD 4.41Å; L613-M617 HydrophobicContact CG-SD 4.44Å; L613-M617 PolarHBondContact O-N 3.31Å
614	G	87.2	Confident	81.9	Confident	10 Å²	10	71.9 Å²	71.9	10%	0.103	38%	0.38	C	S	.	.	H	α-helix	trans	-62.3	-36.4	177	0	0	0	0	0	112.4	W610 F611 Q618 Q619	W610-G614 PolarHBondContact O-N 2.89Å; F611-G614 PolarHBondContact O-N 3.32Å; G614-Q618 PolarHBondContact O-N 2.84Å; G614-Q619 PolarHBondContact O-N 3.22Å
615	A	85.8	Confident	82	Confident	10 Å²	10	71 Å²	71	8%	0.083	37%	0.369	C	S	.	.	H	α-helix	trans	-67	-33.5	170.9	0	0	0	0	0	113.1	F611 L613 T641	F611-A615 VanDerWaalsContact O-CB 3.27Å; F611-A615 WeakPolarHBondContact O-CB 3.34Å; F611-A615 PolarHBondContact O-N 3.48Å; L613-A615 VanDerWaalsContact C-N 3.28Å; L613-A615 PolarHBondContact O-N 3.38Å; A615-T641 PolarHBondContact O-OG1 3.36Å
616	F	88.3	Confident	81.8	Confident	46 Å²	46	72 Å²	72	20%	0.202	37%	0.365	C	S	.	.	H	α-helix	trans	-74	-41.2	175.3	-173.4	-92.9	0	0	0	112.2	I559 S612 L613 Q618 W637 T641 I645	I559-F616 HydrophobicContact CG2-CE2 3.74Å; I559-F616 HydrophobicContact CG2-CZ 3.81Å; S612-F616 WeakPolarHBondContact O-CB 3.48Å; S612-F616 PolarHBondContact O-N 3.03Å; S612-F616 VanDerWaalsContact O-N 3.09Å; L613-F616 CarbonylContact O-C 3.58Å; L613-F616 WeakPolarHBondContact O-CA 3.42Å; L613-F616 WeakPolarHBondContact O-CB 3.48Å; L613-F616 PolarHBondContact O-N 3.24Å; F616-Q618 VanDerWaalsContact C-N 3.26Å; F616-Q618 PolarHBondContact O-N 3.34Å; F616-W637 HydrophobicContact CB-CZ2 4.24Å; F616-W637 HydrophobicContact CD2-CH2 4.36Å; F616-W637 AromaticContact CD2-CZ2 3.97Å; F616-W637 HydrophobicContact CD2-CZ2 3.97Å; F616-T641 HydrophobicContact CB-CG2 4.2Å; F616-T641 HydrophobicContact CD2-CG2 3.6Å; F616-T641 HydrophobicContact CE2-CG2 4.45Å; F616-T641 HydrophobicContact CG-CG2 4.32Å; F616-I645 WeakPolarHBondContact O-CD1 3.42Å
617	M	86.6	Confident	81.7	Confident	107 Å²	107	64 Å²	64	53%	0.527	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	4.6	-179	-63.9	-167.1	74.5	0	0	114.4	L613 Q619	L613-M617 HydrophobicContact CD1-CG 4.4Å; L613-M617 HydrophobicContact CD1-SD 4.41Å; L613-M617 HydrophobicContact CG-SD 4.44Å; L613-M617 PolarHBondContact O-N 3.31Å; M617-Q619 HydrophobicContact CB-CG 4.37Å; M617-Q619 PolarHBondContact O-N 3.45Å
618	Q	82.5	Confident	81.6	Confident	133 Å²	133	67.4 Å²	67.4	62%	0.621	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	24.1	-178.2	-56.3	178.9	4.9	0	0	114.7	G614 F616 I645	G614-Q618 PolarHBondContact O-N 2.84Å; F616-Q618 VanDerWaalsContact C-N 3.26Å; F616-Q618 PolarHBondContact O-N 3.34Å; Q618-I645 HydrophobicContact CG-CD1 3.93Å; Q618-I645 VanDerWaalsContact NE2-CD1 3.25Å
619	Q	80	Confident	81.5	Confident	157 Å²	157	70.5 Å²	70.5	73%	0.734	37%	0.37	S	S	*	.			trans	-94.7	-13.3	-178.5	-70.1	-176.5	-9.7	0	0	113.5	G614 M617	G614-Q619 PolarHBondContact O-N 3.22Å; M617-Q619 HydrophobicContact CB-CG 4.37Å; M617-Q619 PolarHBondContact O-N 3.45Å
620	G	73.8	Confident	81.3	Confident	52 Å²	52	67.5 Å²	67.5	54%	0.536	35%	0.354	S	S	.	.			trans	77.5	173.3	-173.5	0	0	0	0	0	112.6
621	C	75.9	Confident	81.3	Confident	42 Å²	42	66.8 Å²	66.8	28%	0.284	35%	0.352	S	S	.	.			trans	-143.3	146.7	174.8	-170.5	0	0	0	0	108.3	F611 I623	F611-C621 HydrophobicContact CD2-CB 3.99Å; C621-I623 PolarHBondContact O-N 2.98Å
622	D	69.5	Low	81.4	Confident	172 Å²	172	71.2 Å²	71.2	92%	0.92	38%	0.375	S	S	*	.	S	Bend	trans	-67.2	-19.7	177	-68.2	-30.4	0	0	0	112.5
623	I	73	Confident	81.4	Confident	36 Å²	36	72.7 Å²	72.7	19%	0.185	38%	0.384	C	S	.	.			trans	-104.3	130.3	-177.3	-46.9	171.2	0	0	0	108.6	E602 F603 N607 F611 C621	E602-I623 HydrophobicContact CB-CG2 4.02Å; F603-I623 HydrophobicContact CD2-CG2 4.25Å; F603-I623 HydrophobicContact CE1-CG2 4.19Å; F603-I623 HydrophobicContact CE2-CG2 3.66Å; F603-I623 HydrophobicContact CZ-CB 4.47Å; F603-I623 HydrophobicContact CZ-CG2 3.63Å; N607-I623 HydrophobicContact CB-CD1 4.35Å; F611-I623 VanDerWaalsContact CD2-O 3.23Å; F611-I623 WeakPolarHBondContact CD2-O 3.45Å; F611-I623 WeakPolarHBondContact CE2-O 3.25Å; C621-I623 PolarHBondContact O-N 2.98Å
624	S	76.1	Confident	81.3	Confident	76 Å²	76	70.2 Å²	70.2	53%	0.531	37%	0.371	S	S	.	.			trans	-130.7	140.4	179.2	62.7	0	0	0	0	111.9	R626	S624-R626 PolarHBondContact O-N 3.19Å
625	P	78.6	Confident	81.4	Confident	10 Å²	10	71.3 Å²	71.3	7%	0.065	38%	0.383	C	S	.	.			trans	-65	128.1	-179.8	24.5	-31.8	0	0	0	110.6	F603 F611 R631	F603-P625 HydrophobicContact CE2-CB 4.36Å; F603-P625 HydrophobicContact CZ-CB 4.29Å; F611-P625 HydrophobicContact CZ-CG 4.15Å; P625-R631 HydrophobicContact CG-CG 4.36Å; P625-R631 WeakPolarHBondContact O-CG 3.36Å; P625-R631 PolarHBondContact O-NE 3.15Å; P625-R631 VanDerWaalsContact O-NE 3.07Å
626	R	73	Confident	81.6	Confident	129 Å²	129	75.4 Å²	75.4	49%	0.487	41%	0.407	S	S	.	.			trans	-89.4	-32.2	179.6	-68.3	-173.8	-176.5	149.5	9.8	112.5	E580 H582 S624	E580-R626 HydrophobicContact CG-CB 4.3Å; H582-R626 PolarHBondContact CE1-NH1 3.17Å; H582-R626 PolarHBondContact NE2-NH1 2.97Å; S624-R626 PolarHBondContact O-N 3.19Å
627	S	81.3	Confident	81.8	Confident	4 Å²	4	73.6 Å²	73.6	3%	0.028	40%	0.399	C	S	.	.	S	Bend	trans	-69.1	148.6	-179.7	72.1	0	0	0	0	111.6	S577 E580 S629 G630 R631	S577-S627 VanDerWaalsContact OG-CB 3.23Å; S577-S627 WeakPolarHBondContact OG-CB 3.39Å; E580-S627 WeakPolarHBondContact OE1-CB 3.25Å; E580-S627 PolarHBondContact OE1-N 3.21Å; E580-S627 PolarHBondContact OE1-OG 3.29Å; S627-S629 PolarHBondContact O-N 3.23Å; S627-G630 PolarHBondContact O-N 3.46Å; S627-G630 PolarHBondContact OG-N 3.29Å; S627-R631 WeakPolarHBondContact O-CG 3.39Å; S627-R631 PolarHBondContact O-N 3.4Å
628	L	80.7	Confident	81.9	Confident	137 Å²	137	75.8 Å²	75.8	72%	0.717	40%	0.401	S	S	*	.	H	α-helix	trans	-57.4	-42.3	174.2	-176.6	66.3	0	0	0	111	R631 I632	L628-R631 PolarHBondContact O-N 3.33Å; L628-I632 HydrophobicContact CG-CD1 4.25Å; L628-I632 WeakPolarHBondContact O-CG1 3.2Å; L628-I632 PolarHBondContact O-N 2.01Å
629	S	83.1	Confident	82.3	Confident	66 Å²	66	75.8 Å²	75.8	46%	0.462	40%	0.399	S	S	.	.	H	α-helix	trans	-63.5	-45.5	178.8	-54.2	0	0	0	0	112.5	S627 I632 V633	S627-S629 PolarHBondContact O-N 3.23Å; S629-I632 PolarHBondContact O-N 3.4Å; S629-V633 WeakPolarHBondContact O-CG2 3.14Å; S629-V633 PolarHBondContact O-N 2.92Å; S629-V633 VanDerWaalsContact O-N 3.17Å
630	G	83.4	Confident	82.9	Confident	0 Å²	0	71.8 Å²	71.8	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-65.2	-37.2	176.9	0	0	0	0	0	112.6	S627 V633 G634	S627-G630 PolarHBondContact O-N 3.46Å; S627-G630 PolarHBondContact OG-N 3.29Å; G630-V633 PolarHBondContact O-N 3.4Å; G630-G634 PolarHBondContact O-N 3.38Å
631	R	86.3	Confident	83.7	Confident	150 Å²	150	69.5 Å²	69.5	57%	0.566	36%	0.355	S	S	*	.	H	α-helix	trans	-65.8	-36.4	174.5	-72.7	178.3	-178.5	-178.1	2.1	113.1	P625 S627 L628 G635	P625-R631 HydrophobicContact CG-CG 4.36Å; P625-R631 WeakPolarHBondContact O-CG 3.36Å; P625-R631 PolarHBondContact O-NE 3.15Å; P625-R631 VanDerWaalsContact O-NE 3.07Å; S627-R631 WeakPolarHBondContact O-CG 3.39Å; S627-R631 PolarHBondContact O-N 3.4Å; L628-R631 PolarHBondContact O-N 3.33Å; R631-G635 PolarHBondContact O-N 2.86Å
632	I	88.4	Confident	84.3	Confident	102 Å²	102	72.1 Å²	72.1	52%	0.523	37%	0.366	S	S	.	.	H	α-helix	trans	-66	-46.4	175.4	-68.5	165.9	0	0	0	110.2	L628 S629 G634 G635 V636	L628-I632 HydrophobicContact CG-CD1 4.25Å; L628-I632 WeakPolarHBondContact O-CG1 3.2Å; L628-I632 PolarHBondContact O-N 2.01Å; S629-I632 PolarHBondContact O-N 3.4Å; I632-G634 PolarHBondContact O-N 2.79Å; I632-G635 PolarHBondContact O-N 3.45Å; I632-V636 WeakPolarHBondContact O-CG2 3.24Å; I632-V636 PolarHBondContact O-N 3.01Å
633	V	88.2	Confident	85.4	Confident	32 Å²	32	68 Å²	68	19%	0.194	34%	0.343	C	S	.	.	H	α-helix	trans	-59.5	-47.2	176.5	175.3	0	0	0	0	110.8	V566 V569 L570 S629 G630 G635 V636 W637	V566-V633 HydrophobicContact CG1-CG1 4.28Å; V569-V633 HydrophobicContact CG1-CG1 4.2Å; V569-V633 HydrophobicContact CG1-CG2 4.08Å; L570-V633 HydrophobicContact CB-CG1 4.42Å; L570-V633 HydrophobicContact CD1-CG1 4.38Å; S629-V633 WeakPolarHBondContact O-CG2 3.14Å; S629-V633 PolarHBondContact O-N 2.92Å; S629-V633 VanDerWaalsContact O-N 3.17Å; G630-V633 PolarHBondContact O-N 3.4Å; V633-G635 PolarHBondContact O-N 2.88Å; V633-V636 PolarHBondContact O-N 3.48Å; V633-W637 WeakPolarHBondContact O-CB 3.4Å; V633-W637 PolarHBondContact O-N 2.94Å
634	G	86.4	Confident	86.3	Confident	3 Å²	3	67.6 Å²	67.6	3%	0.031	34%	0.341	C	S	.	.	H	α-helix	trans	-62.5	-40.2	176.1	0	0	0	0	0	113.5	G630 I632 W637 W638	G630-G634 PolarHBondContact O-N 3.38Å; I632-G634 PolarHBondContact O-N 2.79Å; G634-W637 PolarHBondContact O-N 3.19Å; G634-W638 PolarHBondContact O-N 2.64Å
635	G	88.3	Confident	86.9	Confident	34 Å²	34	65.8 Å²	65.8	35%	0.351	33%	0.325	S	S	.	.	H	α-helix	trans	-67.5	-40.6	178.5	0	0	0	0	0	113.4	R631 I632 V633 W637 W638 F639	R631-G635 PolarHBondContact O-N 2.86Å; I632-G635 PolarHBondContact O-N 3.45Å; V633-G635 PolarHBondContact O-N 2.88Å; G635-W637 VanDerWaalsContact C-N 3.35Å; G635-W638 PolarHBondContact O-N 3.21Å; G635-F639 PolarHBondContact O-N 3.34Å
636	V	91.3	Very high	87.5	Confident	96 Å²	96	68.3 Å²	68.3	58%	0.582	34%	0.343	S	S	*	.	H	α-helix	trans	-65	-41.6	172.9	173.1	0	0	0	0	110.5	I632 V633 F639 F640	I632-V636 WeakPolarHBondContact O-CG2 3.24Å; I632-V636 PolarHBondContact O-N 3.01Å; V633-V636 PolarHBondContact O-N 3.48Å; V636-F639 PolarHBondContact O-N 3.43Å; V636-F640 WeakPolarHBondContact O-CB 3.42Å; V636-F640 PolarHBondContact O-N 2.93Å
637	W	91.4	Very high	88.3	Confident	8 Å²	8	64.6 Å²	64.6	3%	0.03	34%	0.337	C	S	.	.	H	α-helix	trans	-60.5	-46.5	174.5	-176.3	-120.4	0	0	0	111.5	A562 Y563 V566 S612 F616 V633 G634 G635 F639 F640 T641	A562-W637 HydrophobicContact CB-CZ3 4.23Å; Y563-W637 HydrophobicContact CD2-CZ2 4.26Å; V566-W637 HydrophobicContact CB-CD2 4.33Å; V566-W637 HydrophobicContact CB-CE3 4.13Å; V566-W637 HydrophobicContact CB-CZ3 4.44Å; V566-W637 HydrophobicContact CG1-CB 4.08Å; V566-W637 HydrophobicContact CG1-CD2 3.94Å; V566-W637 HydrophobicContact CG1-CE3 4.18Å; V566-W637 HydrophobicContact CG1-CG 3.91Å; V566-W637 HydrophobicContact CG2-CD2 4.26Å; V566-W637 HydrophobicContact CG2-CE3 3.64Å; V566-W637 HydrophobicContact CG2-CZ3 3.98Å; S612-W637 PolarHBondContact O-NE1 2.72Å; F616-W637 HydrophobicContact CB-CZ2 4.24Å; F616-W637 HydrophobicContact CD2-CH2 4.36Å; F616-W637 AromaticContact CD2-CZ2 3.97Å; F616-W637 HydrophobicContact CD2-CZ2 3.97Å; V633-W637 WeakPolarHBondContact O-CB 3.4Å; V633-W637 PolarHBondContact O-N 2.94Å; G634-W637 PolarHBondContact O-N 3.19Å; G635-W637 VanDerWaalsContact C-N 3.35Å; W637-F639 VanDerWaalsContact C-N 3.34Å; W637-F639 PolarHBondContact O-N 3.22Å; W637-F640 AromaticContact CE3-CD1 3.68Å; W637-F640 HydrophobicContact CE3-CD1 3.68Å; W637-F640 HydrophobicContact CE3-CE1 4.34Å; W637-F640 HydrophobicContact CE3-CG 4.45Å; W637-F640 HydrophobicContact CH2-CD1 4.16Å; W637-F640 HydrophobicContact CH2-CE1 4.1Å; W637-F640 AromaticContact CZ3-CD1 3.42Å; W637-F640 HydrophobicContact CZ3-CD1 3.42Å; W637-F640 VanDerWaalsContact CZ3-CD1 3.42Å; W637-F640 AromaticContact CZ3-CE1 3.6Å; W637-F640 HydrophobicContact CZ3-CE1 3.6Å; W637-F640 HydrophobicContact CZ3-CG 4.47Å; W637-F640 WeakPolarHBondContact O-CB 3.42Å; W637-F640 PolarHBondContact O-N 3.43Å; W637-F640 VanDerWaalsContact O-N 3.16Å; W637-T641 HydrophobicContact CD2-CG2 3.89Å; W637-T641 HydrophobicContact CE3-CG2 4.39Å; W637-T641 HydrophobicContact CG-CG2 4.29Å; W637-T641 HydrophobicContact CH2-CG2 4.43Å; W637-T641 HydrophobicContact CZ2-CG2 3.89Å; W637-T641 VanDerWaalsContact O-CG2 3.31Å; W637-T641 WeakPolarHBondContact O-CG2 2.95Å; W637-T641 PolarHBondContact O-N 3.41Å; W637-T641 PolarHBondContact O-OG1 3.27Å
638	W	89.4	Confident	88.8	Confident	152 Å²	152	66.8 Å²	66.8	58%	0.576	35%	0.345	S	S	*	.	H	α-helix	trans	-58.4	-42.2	175.4	-75.7	-9.9	0	0	0	113.6	G634 G635 F640 T641 L642	G634-W638 PolarHBondContact O-N 2.64Å; G635-W638 PolarHBondContact O-N 3.21Å; W638-F640 VanDerWaalsContact C-N 3.35Å; W638-T641 PolarHBondContact O-N 3.21Å; W638-T641 PolarHBondContact O-OG1 3.39Å; W638-T641 VanDerWaalsContact O-OG1 3.14Å; W638-L642 VanDerWaalsContact O-CB 3.28Å; W638-L642 WeakPolarHBondContact O-CB 3.47Å; W638-L642 PolarHBondContact O-N 2.77Å
639	F	91.2	Very high	89.3	Confident	133 Å²	133	64 Å²	64	58%	0.583	33%	0.333	S	S	*	.	H	α-helix	trans	-65.2	-41.3	176.6	-173.8	-109.9	0	0	0	111.6	G635 V636 W637 I643	G635-F639 PolarHBondContact O-N 3.34Å; V636-F639 PolarHBondContact O-N 3.43Å; W637-F639 VanDerWaalsContact C-N 3.34Å; W637-F639 PolarHBondContact O-N 3.22Å; F639-I643 HydrophobicContact CD1-CD1 3.86Å; F639-I643 HydrophobicContact CE1-CD1 3.39Å; F639-I643 HydrophobicContact CE2-CD1 4.3Å; F639-I643 HydrophobicContact CZ-CD1 3.65Å; F639-I643 HydrophobicContact CZ-CG1 4.46Å; F639-I643 WeakPolarHBondContact O-CG1 3.07Å; F639-I643 PolarHBondContact O-N 2.91Å; F639-I643 VanDerWaalsContact O-N 3.16Å
640	F	91.3	Very high	89.5	Confident	73 Å²	73	63.5 Å²	63.5	32%	0.32	33%	0.334	S	S	.	.	H	α-helix	trans	-61.9	-48.5	175.3	175.4	-99.1	0	0	0	112.2	A562 V636 W637 W638 L642 I643 I644	A562-F640 HydrophobicContact CB-CE1 4.5Å; V636-F640 WeakPolarHBondContact O-CB 3.42Å; V636-F640 PolarHBondContact O-N 2.93Å; W637-F640 AromaticContact CE3-CD1 3.68Å; W637-F640 HydrophobicContact CE3-CD1 3.68Å; W637-F640 HydrophobicContact CE3-CE1 4.34Å; W637-F640 HydrophobicContact CE3-CG 4.45Å; W637-F640 HydrophobicContact CH2-CD1 4.16Å; W637-F640 HydrophobicContact CH2-CE1 4.1Å; W637-F640 AromaticContact CZ3-CD1 3.42Å; W637-F640 HydrophobicContact CZ3-CD1 3.42Å; W637-F640 VanDerWaalsContact CZ3-CD1 3.42Å; W637-F640 AromaticContact CZ3-CE1 3.6Å; W637-F640 HydrophobicContact CZ3-CE1 3.6Å; W637-F640 HydrophobicContact CZ3-CG 4.47Å; W637-F640 WeakPolarHBondContact O-CB 3.42Å; W637-F640 PolarHBondContact O-N 3.43Å; W637-F640 VanDerWaalsContact O-N 3.16Å; W638-F640 VanDerWaalsContact C-N 3.35Å; F640-L642 VanDerWaalsContact C-N 3.33Å; F640-L642 PolarHBondContact O-N 3.26Å; F640-I643 PolarHBondContact O-N 3.39Å; F640-I644 HydrophobicContact CD1-CG1 4.35Å; F640-I644 HydrophobicContact CD2-CG1 4.38Å; F640-I644 HydrophobicContact CE1-CG1 3.94Å; F640-I644 HydrophobicContact CE2-CD1 4.17Å; F640-I644 HydrophobicContact CE2-CG1 3.97Å; F640-I644 HydrophobicContact CZ-CD1 4.07Å; F640-I644 HydrophobicContact CZ-CG1 3.74Å; F640-I644 WeakPolarHBondContact O-CG1 3.39Å; F640-I644 PolarHBondContact O-N 3.09Å
641	T	90.6	Very high	89.8	Confident	5 Å²	5	67 Å²	67	3%	0.031	35%	0.352	C	S	.	.	H	α-helix	trans	-65.4	-37.4	-179.5	62.4	0	0	0	0	112	A615 F616 W637 W638 I643 I644 I645	A615-T641 PolarHBondContact O-OG1 3.36Å; F616-T641 HydrophobicContact CB-CG2 4.2Å; F616-T641 HydrophobicContact CD2-CG2 3.6Å; F616-T641 HydrophobicContact CE2-CG2 4.45Å; F616-T641 HydrophobicContact CG-CG2 4.32Å; W637-T641 HydrophobicContact CD2-CG2 3.89Å; W637-T641 HydrophobicContact CE3-CG2 4.39Å; W637-T641 HydrophobicContact CG-CG2 4.29Å; W637-T641 HydrophobicContact CH2-CG2 4.43Å; W637-T641 HydrophobicContact CZ2-CG2 3.89Å; W637-T641 VanDerWaalsContact O-CG2 3.31Å; W637-T641 WeakPolarHBondContact O-CG2 2.95Å; W637-T641 PolarHBondContact O-N 3.41Å; W637-T641 PolarHBondContact O-OG1 3.27Å; W638-T641 PolarHBondContact O-N 3.21Å; W638-T641 PolarHBondContact O-OG1 3.39Å; W638-T641 VanDerWaalsContact O-OG1 3.14Å; T641-I643 PolarHBondContact O-N 3.3Å; T641-I644 PolarHBondContact O-N 3.45Å; T641-I645 WeakPolarHBondContact O-CB 3.33Å; T641-I645 WeakPolarHBondContact O-CD1 3.38Å; T641-I645 VanDerWaalsContact O-CG1 3.31Å; T641-I645 WeakPolarHBondContact O-CG1 3.5Å; T641-I645 PolarHBondContact O-N 3.49Å
642	L	89.9	Confident	89.7	Confident	96 Å²	96	62 Å²	62	50%	0.503	34%	0.336	S	S	.	.	H	α-helix	trans	-58.5	-47.4	174.1	-173.6	157	0	0	0	111.6	W638 F640 S646	W638-L642 VanDerWaalsContact O-CB 3.28Å; W638-L642 WeakPolarHBondContact O-CB 3.47Å; W638-L642 PolarHBondContact O-N 2.77Å; F640-L642 VanDerWaalsContact C-N 3.33Å; F640-L642 PolarHBondContact O-N 3.26Å; L642-S646 VanDerWaalsContact O-CB 3.29Å; L642-S646 WeakPolarHBondContact O-CB 3.43Å; L642-S646 PolarHBondContact O-N 2.78Å; L642-S646 PolarHBondContact O-OG 2.97Å
643	I	91.6	Very high	89.4	Confident	85 Å²	85	59.9 Å²	59.9	44%	0.436	33%	0.334	S	S	.	.	H	α-helix	trans	-63.5	-47.4	178.8	-68.7	171.3	0	0	0	111	F639 F640 T641 I645 S646 S647	F639-I643 HydrophobicContact CD1-CD1 3.86Å; F639-I643 HydrophobicContact CE1-CD1 3.39Å; F639-I643 HydrophobicContact CE2-CD1 4.3Å; F639-I643 HydrophobicContact CZ-CD1 3.65Å; F639-I643 HydrophobicContact CZ-CG1 4.46Å; F639-I643 WeakPolarHBondContact O-CG1 3.07Å; F639-I643 PolarHBondContact O-N 2.91Å; F639-I643 VanDerWaalsContact O-N 3.16Å; F640-I643 PolarHBondContact O-N 3.39Å; T641-I643 PolarHBondContact O-N 3.3Å; I643-I645 PolarHBondContact O-N 3.35Å; I643-S646 PolarHBondContact O-N 3.33Å; I643-S647 WeakPolarHBondContact O-CB 3.48Å; I643-S647 PolarHBondContact O-N 3.14Å
644	I	91.4	Very high	89.1	Confident	29 Å²	29	60.8 Å²	60.8	15%	0.149	35%	0.345	C	S	.	.	H	α-helix	trans	-61.6	-47.2	-177.2	-69.3	-65.8	0	0	0	111.2	I559 F640 T641 S647 Y648	I559-I644 HydrophobicContact CD1-CG2 3.83Å; F640-I644 HydrophobicContact CD1-CG1 4.35Å; F640-I644 HydrophobicContact CD2-CG1 4.38Å; F640-I644 HydrophobicContact CE1-CG1 3.94Å; F640-I644 HydrophobicContact CE2-CD1 4.17Å; F640-I644 HydrophobicContact CE2-CG1 3.97Å; F640-I644 HydrophobicContact CZ-CD1 4.07Å; F640-I644 HydrophobicContact CZ-CG1 3.74Å; F640-I644 WeakPolarHBondContact O-CG1 3.39Å; F640-I644 PolarHBondContact O-N 3.09Å; T641-I644 PolarHBondContact O-N 3.45Å; I644-S647 PolarHBondContact O-N 2.94Å; I644-Y648 WeakPolarHBondContact O-CB 3.36Å; I644-Y648 PolarHBondContact O-N 3.19Å
645	I	90.3	Very high	88.7	Confident	38 Å²	38	65 Å²	65	20%	0.195	36%	0.363	C	S	.	.	H	α-helix	trans	-68.3	-40.4	-178.6	-64.4	162.1	0	0	0	110.7	F616 Q618 T641 I643 S647 Y648 T649	F616-I645 WeakPolarHBondContact O-CD1 3.42Å; Q618-I645 HydrophobicContact CG-CD1 3.93Å; Q618-I645 VanDerWaalsContact NE2-CD1 3.25Å; T641-I645 WeakPolarHBondContact O-CB 3.33Å; T641-I645 WeakPolarHBondContact O-CD1 3.38Å; T641-I645 VanDerWaalsContact O-CG1 3.31Å; T641-I645 WeakPolarHBondContact O-CG1 3.5Å; T641-I645 PolarHBondContact O-N 3.49Å; I643-I645 PolarHBondContact O-N 3.35Å; I645-S647 VanDerWaalsContact C-N 3.32Å; I645-S647 PolarHBondContact O-N 3.08Å; I645-Y648 PolarHBondContact O-N 3.26Å; I645-T649 HydrophobicContact CG2-CG2 4.42Å; I645-T649 WeakPolarHBondContact O-CG2 3.05Å; I645-T649 PolarHBondContact O-N 2.93Å; I645-T649 PolarHBondContact O-OG1 3.12Å
646	S	89.4	Confident	88.1	Confident	62 Å²	62	69.3 Å²	69.3	43%	0.434	38%	0.377	S	S	.	.	H	α-helix	trans	-63.4	-38.3	176.3	-55.9	0	0	0	0	112.2	L642 I643 T649 A650	L642-S646 VanDerWaalsContact O-CB 3.29Å; L642-S646 WeakPolarHBondContact O-CB 3.43Å; L642-S646 PolarHBondContact O-N 2.78Å; L642-S646 PolarHBondContact O-OG 2.97Å; I643-S646 PolarHBondContact O-N 3.33Å; S646-T649 PolarHBondContact O-OG1 2.73Å; S646-A650 WeakPolarHBondContact O-CB 3.39Å; S646-A650 PolarHBondContact O-N 3.22Å; S646-A650 VanDerWaalsContact O-N 3.12Å
647	S	91.3	Very high	87.4	Confident	52 Å²	52	70 Å²	70	36%	0.364	38%	0.382	S	S	.	.	H	α-helix	trans	-71.3	-38.9	176.1	-175.3	0	0	0	0	112	I643 I644 I645 A650 N651	I643-S647 WeakPolarHBondContact O-CB 3.48Å; I643-S647 PolarHBondContact O-N 3.14Å; I644-S647 PolarHBondContact O-N 2.94Å; I645-S647 VanDerWaalsContact C-N 3.32Å; I645-S647 PolarHBondContact O-N 3.08Å; S647-A650 PolarHBondContact O-N 3.48Å; S647-N651 WeakPolarHBondContact O-CB 3.3Å; S647-N651 PolarHBondContact O-N 2.92Å
648	Y	91.4	Very high	86.2	Confident	50 Å²	50	73.5 Å²	73.5	20%	0.196	40%	0.403	C	S	.	.	H	α-helix	trans	-61.7	-46.4	174.9	172	-97.8	0	0	0	111.4	F547 P550 L551 W556 I644 I645 A650 N651 L652	F547-Y648 WeakPolarHBondContact O-CE2 3.28Å; F547-Y648 PolarHBondContact O-OH 3.32Å; P550-Y648 HydrophobicContact CB-CD2 4.12Å; P550-Y648 HydrophobicContact CB-CE2 4.12Å; P550-Y648 HydrophobicContact CG-CE2 4.04Å; L551-Y648 HydrophobicContact CD1-CD2 3.96Å; L551-Y648 HydrophobicContact CG-CD2 4.15Å; W556-Y648 HydrophobicContact CZ2-CE2 4.31Å; I644-Y648 WeakPolarHBondContact O-CB 3.36Å; I644-Y648 PolarHBondContact O-N 3.19Å; I645-Y648 PolarHBondContact O-N 3.26Å; Y648-A650 PolarHBondContact O-N 3.19Å; Y648-N651 PolarHBondContact O-N 2.87Å; Y648-L652 HydrophobicContact CE1-CD2 4.04Å; Y648-L652 WeakPolarHBondContact O-CB 3.33Å; Y648-L652 PolarHBondContact O-N 3.26Å
649	T	89.9	Confident	85	Confident	77 Å²	77	71.8 Å²	71.8	47%	0.472	40%	0.402	S	S	.	.	H	α-helix	trans	-65.2	-38.3	178.9	54.8	0	0	0	0	112	I645 S646 A653	I645-T649 HydrophobicContact CG2-CG2 4.42Å; I645-T649 WeakPolarHBondContact O-CG2 3.05Å; I645-T649 PolarHBondContact O-N 2.93Å; I645-T649 PolarHBondContact O-OG1 3.12Å; S646-T649 PolarHBondContact O-OG1 2.73Å; T649-A653 WeakPolarHBondContact O-CB 3.11Å; T649-A653 PolarHBondContact O-N 2.92Å; T649-A653 VanDerWaalsContact O-N 3.09Å
650	A	89.1	Confident	83.5	Confident	57 Å²	57	75.1 Å²	75.1	47%	0.471	41%	0.411	S	S	.	.	H	α-helix	trans	-63.5	-47.2	174.3	0	0	0	0	0	112.4	S646 S647 Y648 A653 A654	S646-A650 WeakPolarHBondContact O-CB 3.39Å; S646-A650 PolarHBondContact O-N 3.22Å; S646-A650 VanDerWaalsContact O-N 3.12Å; S647-A650 PolarHBondContact O-N 3.48Å; Y648-A650 PolarHBondContact O-N 3.19Å; A650-A653 PolarHBondContact O-N 3.13Å; A650-A654 PolarHBondContact O-N 3.45Å; A650-A654 VanDerWaalsContact O-N 3.1Å
651	N	87.9	Confident	82.2	Confident	72 Å²	72	76.2 Å²	76.2	39%	0.385	42%	0.418	S	S	.	.	H	α-helix	trans	-69.5	-37.4	179.7	-75.5	-5.5	0	0	0	112.3	P550 S647 Y648 A653 A654 F655	P550-N651 HydrophobicContact CB-CB 3.94Å; P550-N651 PolarHBondContact O-ND2 2.98Å; S647-N651 WeakPolarHBondContact O-CB 3.3Å; S647-N651 PolarHBondContact O-N 2.92Å; Y648-N651 PolarHBondContact O-N 2.87Å; N651-A653 VanDerWaalsContact C-N 3.33Å; N651-A653 PolarHBondContact O-N 3.36Å; N651-A654 PolarHBondContact O-N 3.21Å; N651-F655 WeakPolarHBondContact O-CB 3.45Å; N651-F655 PolarHBondContact O-N 2.95Å
652	L	84.9	Confident	81.2	Confident	46 Å²	46	81.5 Å²	81.5	24%	0.241	45%	0.45	C	S	.	.	H	α-helix	trans	-61.7	-43.1	175.3	-179.6	66.5	0	0	0	110.8	P550 Y648 A654 F655 L656	P550-L652 HydrophobicContact CB-CB 4.35Å; P550-L652 HydrophobicContact CG-CB 3.96Å; P550-L652 HydrophobicContact CG-CD1 3.66Å; P550-L652 HydrophobicContact CG-CG 4.42Å; Y648-L652 HydrophobicContact CE1-CD2 4.04Å; Y648-L652 WeakPolarHBondContact O-CB 3.33Å; Y648-L652 PolarHBondContact O-N 3.26Å; L652-A654 VanDerWaalsContact C-N 3.34Å; L652-A654 PolarHBondContact O-N 2.71Å; L652-F655 PolarHBondContact O-N 2.86Å; L652-L656 HydrophobicContact CD1-CD1 4.3Å; L652-L656 HydrophobicContact CD1-CG 4.37Å; L652-L656 HydrophobicContact CG-CD1 4.15Å; L652-L656 WeakPolarHBondContact O-CG 3.45Å; L652-L656 PolarHBondContact O-N 3.41Å
653	A	82.3	Confident	80.3	Confident	58 Å²	58	78.4 Å²	78.4	48%	0.479	44%	0.436	S	S	.	.	H	α-helix	trans	-61.9	-40.8	175	0	0	0	0	0	112.1	T649 A650 N651 T657	T649-A653 WeakPolarHBondContact O-CB 3.11Å; T649-A653 PolarHBondContact O-N 2.92Å; T649-A653 VanDerWaalsContact O-N 3.09Å; A650-A653 PolarHBondContact O-N 3.13Å; N651-A653 VanDerWaalsContact C-N 3.33Å; N651-A653 PolarHBondContact O-N 3.36Å; A653-T657 WeakPolarHBondContact O-CG2 3.36Å; A653-T657 PolarHBondContact O-N 3.42Å; A653-T657 PolarHBondContact O-OG1 3.28Å; A653-T657 VanDerWaalsContact O-OG1 3.11Å
654	A	81.7	Confident	79.6	Confident	50 Å²	50	78.9 Å²	78.9	41%	0.413	45%	0.445	S	S	.	.	H	α-helix	trans	-66.7	-39.9	174.7	0	0	0	0	0	112.5	A650 N651 L652 T657 V658	A650-A654 PolarHBondContact O-N 3.45Å; A650-A654 VanDerWaalsContact O-N 3.1Å; N651-A654 PolarHBondContact O-N 3.21Å; L652-A654 VanDerWaalsContact C-N 3.34Å; L652-A654 PolarHBondContact O-N 2.71Å; A654-T657 PolarHBondContact O-N 2.92Å; A654-T657 PolarHBondContact O-OG1 3.07Å; A654-V658 WeakPolarHBondContact O-CG2 3.34Å; A654-V658 PolarHBondContact O-N 3.02Å
655	F	77.3	Confident	79.3	Confident	92 Å²	92	77.7 Å²	77.7	40%	0.404	44%	0.439	S	S	.	.	H	α-helix	trans	-67.7	-40.1	-179.2	-163.4	-94.4	0	0	0	112	S546 D549 N651 L652 T657 V658	S546-F655 WeakPolarHBondContact OG-CE1 3.46Å; D549-F655 HydrophobicContact CB-CE1 4.19Å; D549-F655 HydrophobicContact CB-CE2 4.18Å; D549-F655 HydrophobicContact CB-CZ 3.85Å; N651-F655 WeakPolarHBondContact O-CB 3.45Å; N651-F655 PolarHBondContact O-N 2.95Å; L652-F655 PolarHBondContact O-N 2.86Å; F655-T657 PolarHBondContact O-N 3.01Å; F655-V658 PolarHBondContact O-N 3.49Å
656	L	76.5	Confident	79	Confident	124 Å²	124	82.8 Å²	82.8	65%	0.649	46%	0.462	S	S	*	.	H	α-helix	trans	-68.9	-21.7	177.2	-70.3	173.1	0	0	0	113.5	L652	L652-L656 HydrophobicContact CD1-CD1 4.3Å; L652-L656 HydrophobicContact CD1-CG 4.37Å; L652-L656 HydrophobicContact CG-CD1 4.15Å; L652-L656 WeakPolarHBondContact O-CG 3.45Å; L652-L656 PolarHBondContact O-N 3.41Å
657	T	75.8	Confident	79	Confident	112 Å²	112	81.6 Å²	81.6	69%	0.687	45%	0.454	S	S	*	.	H	α-helix	trans	-88.9	-20.6	178	51.1	0	0	0	0	113	A653 A654 F655	A653-T657 WeakPolarHBondContact O-CG2 3.36Å; A653-T657 PolarHBondContact O-N 3.42Å; A653-T657 PolarHBondContact O-OG1 3.28Å; A653-T657 VanDerWaalsContact O-OG1 3.11Å; A654-T657 PolarHBondContact O-N 2.92Å; A654-T657 PolarHBondContact O-OG1 3.07Å; F655-T657 PolarHBondContact O-N 3.01Å
658	V	67.3	Low	78.8	Confident	80 Å²	80	79.5 Å²	79.5	49%	0.485	44%	0.439	S	S	.	.			trans	-116.6	92.1	-174	-170.6	0	0	0	0	112.1	A654 F655 R660	A654-V658 WeakPolarHBondContact O-CG2 3.34Å; A654-V658 PolarHBondContact O-N 3.02Å; F655-V658 PolarHBondContact O-N 3.49Å; V658-R660 HydrophobicContact CG1-CG 3.72Å; V658-R660 PolarHBondContact O-N 3.42Å
659	E	63.4	Low	78.7	Confident	117 Å²	117	82 Å²	82	55%	0.547	45%	0.453	S	S	.	.			trans	-81.4	94.1	167.4	-63.3	178.1	150.7	0	0	110.3	K539	K539-E659 HydrophobicContact CD-CB 4.26Å; K539-E659 WeakPolarHBondContact CD-OE2 3.38Å; K539-E659 WeakPolarHBondContact CE-OE2 3.22Å; K539-E659 IonicContact NZ-OE2 2.81Å; K539-E659 PolarHBondContact NZ-OE2 2.94Å
660	R	61.1	Low	78.7	Confident	202 Å²	202	81 Å²	81	76%	0.762	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-79.5	135	174.6	-65.8	-168.3	171.8	173.7	-2.2	111.4	V658	V658-R660 HydrophobicContact CG1-CG 3.72Å; V658-R660 PolarHBondContact O-N 3.42Å
661	M	62.8	Low	78.7	Confident	96 Å²	96	78.3 Å²	78.3	47%	0.473	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-80.6	124.2	166.8	-65.9	-179.4	-122.5	0	0	108.5	P537	P537-M661 HydrophobicContact CG-CB 4.4Å
662	V	70.2	Confident	78.8	Confident	116 Å²	116	75.3 Å²	75.3	70%	0.703	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-100.5	122.7	173.7	-174.8	0	0	0	0	108.5
663	S	71.9	Confident	79.1	Confident	31 Å²	31	80.1 Å²	80.1	22%	0.217	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-86	131.7	173.2	-174	0	0	0	0	109.7	I665	S663-I665 VanDerWaalsContact C-N 3.26Å; S663-I665 PolarHBondContact O-N 3.14Å; S663-I665 PolarHBondContact OG-N 2.84Å; S663-I665 PolarHBondContact OG-O 2.98Å
664	P	76.5	Confident	79.4	Confident	96 Å²	96	79.6 Å²	79.6	62%	0.623	41%	0.414	S	S	*	.	S	Bend	trans	-73.8	-16	176.2	29	-33.9	0	0	0	113.5	I677	P664-I677 HydrophobicContact CG-CD1 4.48Å
665	I	83.9	Confident	79.7	Confident	4 Å²	4	82.9 Å²	82.9	2%	0.021	43%	0.429	C	S	.	.			trans	-137	134.3	-177.6	-63	161.4	0	0	0	108.8	S663 S667 D670 L671 I677 V755	S663-I665 VanDerWaalsContact C-N 3.26Å; S663-I665 PolarHBondContact O-N 3.14Å; S663-I665 PolarHBondContact OG-N 2.84Å; S663-I665 PolarHBondContact OG-O 2.98Å; I665-S667 WeakPolarHBondContact CG2-O 3.23Å; I665-D670 HydrophobicContact CG2-CB 4.25Å; I665-L671 HydrophobicContact CD1-CD2 3.44Å; I665-L671 VanDerWaalsContact CD1-CD2 3.44Å; I665-L671 HydrophobicContact CD1-CG 4.07Å; I665-L671 HydrophobicContact CG1-CD2 4.43Å; I665-L671 HydrophobicContact CG2-CG 4.03Å; I665-I677 HydrophobicContact CD1-CB 4.23Å; I665-I677 HydrophobicContact CD1-CD1 3.37Å; I665-I677 HydrophobicContact CD1-CG1 4.36Å; I665-I677 HydrophobicContact CD1-CG2 3.96Å; I665-I677 HydrophobicContact CG1-CD1 4.03Å; I665-V755 HydrophobicContact CG2-CG2 4.5Å
666	E	85.1	Confident	80.3	Confident	144 Å²	144	84.9 Å²	84.9	67%	0.673	44%	0.44	S	S	*	.	S	Bend	trans	-116.8	-25.6	173.3	-62.7	-172	168.8	0	0	112.5	D670 G756	E666-D670 PolarHBondContact N-OD2 3.45Å; E666-G756 WeakPolarHBondContact O-CA 3.49Å; E666-G756 PolarHBondContact O-N 2.79Å
667	S	88.9	Confident	81	Confident	38 Å²	38	79.7 Å²	79.7	27%	0.266	41%	0.413	S	S	.	.	S	Bend	trans	-135.2	165.1	-175.3	74.6	0	0	0	0	113.9	I665 E669 D670	I665-S667 WeakPolarHBondContact CG2-O 3.23Å; S667-E669 PolarHBondContact O-N 2.96Å; S667-E669 PolarHBondContact OG-N 3.23Å; S667-D670 PolarHBondContact N-OD2 3.42Å; S667-D670 PolarHBondContact O-N 3.32Å; S667-D670 PolarHBondContact OG-N 3.02Å; S667-D670 PolarHBondContact OG-OD1 3.34Å; S667-D670 PolarHBondContact OG-OD2 2.8Å
668	A	87.7	Confident	81.9	Confident	7 Å²	7	75.5 Å²	75.5	6%	0.058	39%	0.39	C	S	.	.	H	α-helix	trans	-67.8	-23.9	170.5	0	0	0	0	0	113.1	I532 D670 L671 A672 Y699 M702 L759	I532-A668 HydrophobicContact CD1-CB 4.12Å; A668-D670 VanDerWaalsContact C-N 3.32Å; A668-L671 WeakPolarHBondContact O-CB 3.39Å; A668-L671 PolarHBondContact O-N 3.06Å; A668-A672 PolarHBondContact O-N 3.27Å; A668-A672 VanDerWaalsContact O-N 3.09Å; A668-Y699 HydrophobicContact CB-CE1 4.49Å; A668-M702 HydrophobicContact CB-CE 4.46Å; A668-M702 HydrophobicContact CB-SD 4.14Å; A668-L759 HydrophobicContact CB-CD2 3.38Å
669	E	89.4	Confident	83.2	Confident	104 Å²	104	72 Å²	72	49%	0.486	37%	0.368	S	S	.	.	H	α-helix	trans	-66.4	-38.7	176.3	-62.6	-176.1	-176.2	0	0	111.2	S667 L671 A672 K673 V698	S667-E669 PolarHBondContact O-N 2.96Å; S667-E669 PolarHBondContact OG-N 3.23Å; E669-L671 VanDerWaalsContact C-N 3.32Å; E669-L671 PolarHBondContact O-N 3.15Å; E669-A672 PolarHBondContact O-N 2.89Å; E669-A672 VanDerWaalsContact O-N 3.11Å; E669-K673 WeakPolarHBondContact O-CG 3.32Å; E669-K673 PolarHBondContact O-N 3.35Å; E669-K673 IonicContact OE2-NZ 3.94Å; E669-V698 HydrophobicContact CG-CG1 4.23Å; E669-V698 HydrophobicContact CG-CG2 4.41Å
670	D	89.6	Confident	84.7	Confident	55 Å²	55	66.4 Å²	66.4	29%	0.294	34%	0.342	S	S	.	.	H	α-helix	trans	-61.4	-45.4	176.8	-55.4	-36.3	0	0	0	109.8	I665 E666 S667 A668 A672 K673 Q674	I665-D670 HydrophobicContact CG2-CB 4.25Å; E666-D670 PolarHBondContact N-OD2 3.45Å; S667-D670 PolarHBondContact N-OD2 3.42Å; S667-D670 PolarHBondContact O-N 3.32Å; S667-D670 PolarHBondContact OG-N 3.02Å; S667-D670 PolarHBondContact OG-OD1 3.34Å; S667-D670 PolarHBondContact OG-OD2 2.8Å; A668-D670 VanDerWaalsContact C-N 3.32Å; D670-A672 VanDerWaalsContact C-N 3.27Å; D670-A672 PolarHBondContact O-N 2.88Å; D670-K673 PolarHBondContact O-N 3.38Å; D670-K673 VanDerWaalsContact O-N 3.14Å; D670-Q674 WeakPolarHBondContact O-CG 3.41Å; D670-Q674 PolarHBondContact O-N 3.29Å
671	L	89	Confident	86.3	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-57	-38.5	173.8	-78.8	172.2	0	0	0	112.7	I532 I665 A668 E669 Q674 I677 Y679 A733	I532-L671 HydrophobicContact CD1-CD1 3.94Å; I532-L671 HydrophobicContact CG1-CD1 4.3Å; I532-L671 HydrophobicContact CG2-CD1 3.89Å; I665-L671 HydrophobicContact CD1-CD2 3.44Å; I665-L671 VanDerWaalsContact CD1-CD2 3.44Å; I665-L671 HydrophobicContact CD1-CG 4.07Å; I665-L671 HydrophobicContact CG1-CD2 4.43Å; I665-L671 HydrophobicContact CG2-CG 4.03Å; A668-L671 WeakPolarHBondContact O-CB 3.39Å; A668-L671 PolarHBondContact O-N 3.06Å; E669-L671 VanDerWaalsContact C-N 3.32Å; E669-L671 PolarHBondContact O-N 3.15Å; L671-Q674 PolarHBondContact O-NE2 3.47Å; L671-Q674 VanDerWaalsContact O-O 3.08Å; L671-I677 HydrophobicContact CD2-CG2 4.15Å; L671-Y679 HydrophobicContact CB-CD1 4.12Å; L671-Y679 HydrophobicContact CB-CE1 4.18Å; L671-Y679 HydrophobicContact CD2-CD1 3.92Å; L671-Y679 HydrophobicContact CD2-CG 4.49Å; L671-Y679 HydrophobicContact CG-CD1 4.49Å; L671-Y679 VanDerWaalsContact O-CE1 3.24Å; L671-Y679 WeakPolarHBondContact O-CE1 3.49Å; L671-A733 HydrophobicContact CD1-CB 4.38Å; L671-A733 HydrophobicContact CD2-CB 4.12Å
672	A	90.7	Very high	87.6	Confident	10 Å²	10	53.5 Å²	53.5	8%	0.083	29%	0.29	C	S	.	.	H	α-helix	trans	-78	-19.3	-179.8	0	0	0	0	0	113.9	A668 E669 D670 V698 K701 M702	A668-A672 PolarHBondContact O-N 3.27Å; A668-A672 VanDerWaalsContact O-N 3.09Å; E669-A672 PolarHBondContact O-N 2.89Å; E669-A672 VanDerWaalsContact O-N 3.11Å; D670-A672 VanDerWaalsContact C-N 3.27Å; D670-A672 PolarHBondContact O-N 2.88Å; A672-V698 HydrophobicContact CB-CG1 3.99Å; A672-K701 WeakPolarHBondContact O-CE 3.4Å; A672-K701 PolarHBondContact O-NZ 3.46Å; A672-M702 HydrophobicContact CB-CG 3.83Å
673	K	90.4	Very high	88.3	Confident	146 Å²	146	51.3 Å²	51.3	64%	0.635	27%	0.274	S	S	*	.	H	α-helix	trans	-84.2	-33.7	177.6	-73.9	169.1	-171.9	163.9	0	112.3	E669 D670	E669-K673 WeakPolarHBondContact O-CG 3.32Å; E669-K673 PolarHBondContact O-N 3.35Å; E669-K673 IonicContact OE2-NZ 3.94Å; D670-K673 PolarHBondContact O-N 3.38Å; D670-K673 VanDerWaalsContact O-N 3.14Å
674	Q	88.9	Confident	88.6	Confident	48 Å²	48	52 Å²	52	22%	0.224	28%	0.278	C	S	.	.			trans	-102.2	164.5	-176.9	67.1	80	46	0	0	113.1	D670 L671 I677	D670-Q674 WeakPolarHBondContact O-CG 3.41Å; D670-Q674 PolarHBondContact O-N 3.29Å; L671-Q674 PolarHBondContact O-NE2 3.47Å; L671-Q674 VanDerWaalsContact O-O 3.08Å; Q674-I677 PolarHBondContact NE2-O 3.33Å
675	T	87.8	Confident	88.8	Confident	119 Å²	119	48.1 Å²	48.1	73%	0.73	26%	0.256	S	S	*	.	S	Bend	trans	-128.2	2.6	178.5	57.8	0	0	0	0	113.9
676	E	88.9	Confident	88.9	Confident	133 Å²	133	48.7 Å²	48.7	62%	0.621	26%	0.261	S	S	*	.	S	Bend	trans	-78.5	-35.2	-176.7	-172.4	177	-166.4	0	0	112.7	K731	E676-K731 HydrophobicContact CG-CD 4.18Å; E676-K731 IonicContact OE1-NZ 3.87Å; E676-K731 PolarHBondContact OE1-NZ 3.36Å
677	I	91.8	Very high	89.2	Confident	15 Å²	15	42.3 Å²	42.3	8%	0.077	23%	0.232	C	C	.	.	S	Bend	trans	-102.8	106.4	177.7	-58.1	176.1	0	0	0	107.1	P664 I665 L671 Q674 G730 K731 A733	P664-I677 HydrophobicContact CG-CD1 4.48Å; I665-I677 HydrophobicContact CD1-CB 4.23Å; I665-I677 HydrophobicContact CD1-CD1 3.37Å; I665-I677 HydrophobicContact CD1-CG1 4.36Å; I665-I677 HydrophobicContact CD1-CG2 3.96Å; I665-I677 HydrophobicContact CG1-CD1 4.03Å; L671-I677 HydrophobicContact CD2-CG2 4.15Å; Q674-I677 PolarHBondContact NE2-O 3.33Å; I677-G730 WeakPolarHBondContact CG1-O 3.22Å; I677-K731 WeakPolarHBondContact CA-O 3.32Å; I677-A733 HydrophobicContact CG2-CB 4.18Å
678	A	94.4	Very high	89.3	Confident	25 Å²	25	42.8 Å²	42.8	21%	0.207	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	151	175.3	0	0	0	0	0	110.6	Y705 K731 F732 A733	A678-Y705 WeakPolarHBondContact CA-OH 3.37Å; A678-Y705 WeakPolarHBondContact CB-OH 3.44Å; A678-K731 PolarHBondContact N-O 3.33Å; A678-F732 HydrophobicContact CB-CD2 3.96Å; A678-F732 CarbonylContact O-C 3.57Å; A678-F732 WeakPolarHBondContact O-CA 3.41Å; A678-F732 WeakPolarHBondContact O-CD2 3.39Å; A678-A733 PolarHBondContact O-N 3.31Å
679	Y	95.1	Very high	89.3	Confident	5 Å²	5	45.2 Å²	45.2	2%	0.02	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	149.7	177.3	53	-90	0	0	0	112	L671 M702 Y705 M706 V713 A733 L735	L671-Y679 HydrophobicContact CB-CD1 4.12Å; L671-Y679 HydrophobicContact CB-CE1 4.18Å; L671-Y679 HydrophobicContact CD2-CD1 3.92Å; L671-Y679 HydrophobicContact CD2-CG 4.49Å; L671-Y679 HydrophobicContact CG-CD1 4.49Å; L671-Y679 VanDerWaalsContact O-CE1 3.24Å; L671-Y679 WeakPolarHBondContact O-CE1 3.49Å; Y679-M702 HydrophobicContact CD2-CE 3.8Å; Y679-M702 HydrophobicContact CE2-CB 3.8Å; Y679-M702 HydrophobicContact CE2-CE 3.65Å; Y679-M702 HydrophobicContact CE2-CG 3.9Å; Y679-Y705 HydrophobicContact CD1-CD1 4.37Å; Y679-Y705 HydrophobicContact CD1-CE1 4.07Å; Y679-Y705 HydrophobicContact CD2-CD1 4.19Å; Y679-Y705 HydrophobicContact CD2-CE1 4.36Å; Y679-Y705 AromaticContact CE1-CD1 3.77Å; Y679-Y705 HydrophobicContact CE1-CD1 3.77Å; Y679-Y705 AromaticContact CE1-CE1 3.82Å; Y679-Y705 HydrophobicContact CE1-CE1 3.82Å; Y679-Y705 HydrophobicContact CE1-CG 4.45Å; Y679-Y705 AromaticContact CE2-CD1 3.55Å; Y679-Y705 HydrophobicContact CE2-CD1 3.55Å; Y679-Y705 HydrophobicContact CE2-CE1 4.12Å; Y679-Y705 HydrophobicContact CE2-CG 4.44Å; Y679-Y705 HydrophobicContact CG-CE1 4.34Å; Y679-Y705 AromaticContact CZ-CD1 3.33Å; Y679-Y705 AromaticContact CZ-CE1 3.86Å; Y679-Y705 AromaticContact CZ-CG 3.94Å; Y679-Y705 WeakPolarHBondContact OH-CD1 3.38Å; Y679-M706 HydrophobicContact CD2-CG 4.03Å; Y679-M706 HydrophobicContact CD2-SD 4.28Å; Y679-M706 HydrophobicContact CE2-CG 4Å; Y679-V713 WeakPolarHBondContact O-CB 3.45Å; Y679-V713 WeakPolarHBondContact O-CG2 3.46Å; Y679-A733 WeakPolarHBondContact CA-O 3.3Å; Y679-L735 HydrophobicContact CD2-CD1 4.44Å
680	G	95.1	Very high	89.5	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162	175.6	-177.9	0	0	0	0	0	113.7	A733 F734 L735	G680-A733 PolarHBondContact N-O 3.26Å; G680-F734 WeakPolarHBondContact O-CD2 3.34Å; G680-L735 PolarHBondContact O-N 3.16Å
681	T	94.7	Very high	89.6	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.214	C	C	.	.			trans	-127.9	175.5	-175.1	77.9	0	0	0	0	111.5	T687 F691 M706 F714 T715 L735	T681-T687 HydrophobicContact CG2-CG2 3.93Å; T681-F691 HydrophobicContact CG2-CD2 4.15Å; T681-F691 HydrophobicContact CG2-CE2 4.29Å; T681-M706 HydrophobicContact CG2-CE 4.49Å; T681-M706 HydrophobicContact CG2-SD 3.82Å; T681-F714 VanDerWaalsContact O-CA 3.31Å; T681-F714 WeakPolarHBondContact O-CA 3.44Å; T681-T715 PolarHBondContact O-N 3.39Å; T681-T715 VanDerWaalsContact O-N 3.07Å; T681-L735 HydrophobicContact CG2-CB 4.03Å; T681-L735 HydrophobicContact CG2-CD1 4.09Å
682	L	90.5	Very high	89.7	Confident	28 Å²	28	47.3 Å²	47.3	15%	0.147	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-65.3	139.2	167	-167.6	73.1	0	0	0	111.4	Y480 G685 K716 T717	Y480-L682 HydrophobicContact CE2-CD2 4.13Å; L682-G685 PolarHBondContact O-N 2.81Å; L682-K716 WeakPolarHBondContact CD1-O 3.48Å; L682-T717 VanDerWaalsContact CD1-C 3.45Å
683	D	84.8	Confident	89.6	Confident	70 Å²	70	53.9 Å²	53.9	37%	0.374	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-35.8	-172.5	-171	39.9	0	0	0	114.3	K688 F714 T715	D683-K688 WeakPolarHBondContact O-CD 3.49Å; D683-K688 PolarHBondContact O-NZ 2.93Å; D683-K688 IonicContact OD1-NZ 2.75Å; D683-K688 PolarHBondContact OD1-NZ 3.41Å; D683-F714 HydrophobicContact CB-CB 4.26Å; D683-T715 WeakPolarHBondContact CB-O 3.44Å; D683-T715 PolarHBondContact N-O 3.48Å
684	S	77.4	Confident	89.7	Confident	44 Å²	44	47.8 Å²	47.8	31%	0.308	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.7	26.3	177.1	-63.2	0	0	0	0	112.9
685	G	80.9	Confident	89.9	Confident	15 Å²	15	54.3 Å²	54.3	16%	0.155	27%	0.266	C	S	.	.	S	Bend	trans	-94.2	156	-176	0	0	0	0	0	114.7	L682 T687 K688	L682-G685 PolarHBondContact O-N 2.81Å; G685-T687 PolarHBondContact O-N 3.02Å; G685-K688 PolarHBondContact O-N 2.66Å
686	S	86.5	Confident	90.1	Very high	17 Å²	17	53.1 Å²	53.1	12%	0.119	25%	0.254	C	S	.	.	H	α-helix	trans	-61	-31.7	172.5	62.1	0	0	0	0	112.1	T510 K688 E689 F690	T510-S686 PolarHBondContact OG1-OG 2.85Å; S686-K688 PolarHBondContact O-N 2.85Å; S686-E689 PolarHBondContact O-N 3.13Å; S686-F690 WeakPolarHBondContact O-CB 3.45Å; S686-F690 PolarHBondContact O-N 3.28Å
687	T	91.3	Very high	90.3	Very high	10 Å²	10	50.4 Å²	50.4	6%	0.061	26%	0.255	C	S	.	.	H	α-helix	trans	-61.8	-39.1	176.5	-53.2	0	0	0	0	112.7	I530 T681 G685 F690 F691	I530-T687 HydrophobicContact CD1-CG2 3.85Å; I530-T687 HydrophobicContact CG1-CG2 3.95Å; I530-T687 HydrophobicContact CG2-CG2 3.79Å; T681-T687 HydrophobicContact CG2-CG2 3.93Å; G685-T687 PolarHBondContact O-N 3.02Å; T687-F690 WeakPolarHBondContact O-CB 3.25Å; T687-F690 PolarHBondContact O-N 2.75Å; T687-F691 HydrophobicContact CG2-CD2 4.05Å; T687-F691 HydrophobicContact CG2-CE2 3.73Å; T687-F691 WeakPolarHBondContact O-CD2 2.91Å; T687-F691 PolarHBondContact O-N 3.07Å; T687-F691 VanDerWaalsContact O-N 3.16Å
688	K	90.9	Very high	90.4	Very high	48 Å²	48	51.8 Å²	51.8	21%	0.209	26%	0.264	C	S	.	.	H	α-helix	trans	-63.8	-47.2	177.1	-174.3	-176.2	179.2	-177.1	0	111.2	D683 G685 S686 F690 F691 R692 W703 F714	D683-K688 WeakPolarHBondContact O-CD 3.49Å; D683-K688 PolarHBondContact O-NZ 2.93Å; D683-K688 IonicContact OD1-NZ 2.75Å; D683-K688 PolarHBondContact OD1-NZ 3.41Å; G685-K688 PolarHBondContact O-N 2.66Å; S686-K688 PolarHBondContact O-N 2.85Å; K688-F690 VanDerWaalsContact C-N 3.3Å; K688-F690 PolarHBondContact O-N 3.23Å; K688-F691 PolarHBondContact O-N 2.93Å; K688-R692 PolarHBondContact O-N 3.09Å; K688-W703 HydrophobicContact CG-CH2 4.08Å; K688-W703 HydrophobicContact CG-CZ3 3.8Å; K688-F714 HydrophobicContact CD-CD1 4.23Å; K688-F714 HydrophobicContact CD-CE1 4.14Å; K688-F714 HydrophobicContact CG-CD1 4.4Å; K688-F714 HydrophobicContact CG-CE1 3.92Å
689	E	88.3	Confident	90.5	Very high	58 Å²	58	52 Å²	52	27%	0.271	26%	0.26	S	S	.	.	H	α-helix	trans	-68.5	-31.6	179.1	-168.4	63.1	-166.1	0	0	111.8	S686 R692 R693	S686-E689 PolarHBondContact O-N 3.13Å; E689-R692 PolarHBondContact O-N 3.4Å; E689-R692 WeakPolarHBondContact OE2-CD 3.39Å; E689-R692 IonicContact OE2-NH1 2.73Å; E689-R693 HydrophobicContact CG-CG 4.47Å; E689-R693 WeakPolarHBondContact O-CG 3.46Å; E689-R693 PolarHBondContact O-N 3.33Å; E689-R693 IonicContact OE1-CZ 3.03Å; E689-R693 IonicContact OE1-NE 2.57Å; E689-R693 PolarHBondContact OE1-NE 3.11Å; E689-R693 IonicContact OE1-NH2 3.33Å; E689-R693 PolarHBondContact OE1-NH2 2.93Å
690	F	91.8	Very high	90.4	Very high	55 Å²	55	56.9 Å²	56.9	24%	0.241	28%	0.282	C	S	.	.	H	α-helix	trans	-57.5	-52.8	171.3	169.7	-93.2	0	0	0	111.4	I530 S686 T687 K688 R692 R693 S694 Y699 D760	I530-F690 HydrophobicContact CD1-CB 4.41Å; I530-F690 HydrophobicContact CD1-CD1 3.35Å; I530-F690 HydrophobicContact CD1-CD2 4.49Å; I530-F690 HydrophobicContact CD1-CE1 3.6Å; I530-F690 HydrophobicContact CD1-CG 3.84Å; I530-F690 HydrophobicContact CD1-CZ 4.27Å; S686-F690 WeakPolarHBondContact O-CB 3.45Å; S686-F690 PolarHBondContact O-N 3.28Å; T687-F690 WeakPolarHBondContact O-CB 3.25Å; T687-F690 PolarHBondContact O-N 2.75Å; K688-F690 VanDerWaalsContact C-N 3.3Å; K688-F690 PolarHBondContact O-N 3.23Å; F690-R692 VanDerWaalsContact C-N 3.32Å; F690-R692 PolarHBondContact O-N 2.85Å; F690-R693 PolarHBondContact O-N 3.28Å; F690-S694 WeakPolarHBondContact O-CB 3.13Å; F690-S694 PolarHBondContact O-N 2.9Å; F690-Y699 HydrophobicContact CE1-CD2 4.11Å; F690-Y699 HydrophobicContact CE1-CE2 4.27Å; F690-Y699 HydrophobicContact CZ-CD2 4.16Å; F690-Y699 HydrophobicContact CZ-CE2 4.1Å; F690-D760 HydrophobicContact CE2-CB 4.37Å; F690-D760 HydrophobicContact CZ-CB 4.36Å
691	F	92.8	Very high	90.4	Very high	1 Å²	1	62.6 Å²	62.6	0%	0.004	31%	0.307	C	S	.	.	H	α-helix	trans	-64.4	-37.1	177.9	-76.5	-71.2	0	0	0	112.3	I530 T681 T687 K688 R693 S694 Y699 M702 W703 M706 L735	I530-F691 HydrophobicContact CD1-CE2 4.33Å; T681-F691 HydrophobicContact CG2-CD2 4.15Å; T681-F691 HydrophobicContact CG2-CE2 4.29Å; T687-F691 HydrophobicContact CG2-CD2 4.05Å; T687-F691 HydrophobicContact CG2-CE2 3.73Å; T687-F691 WeakPolarHBondContact O-CD2 2.91Å; T687-F691 PolarHBondContact O-N 3.07Å; T687-F691 VanDerWaalsContact O-N 3.16Å; K688-F691 PolarHBondContact O-N 2.93Å; F691-R693 VanDerWaalsContact C-N 3.33Å; F691-R693 PolarHBondContact O-N 2.88Å; F691-S694 PolarHBondContact O-N 3.3Å; F691-Y699 HydrophobicContact CD1-CG 4.33Å; F691-Y699 AromaticContact CE1-CD1 3.83Å; F691-Y699 HydrophobicContact CE1-CD1 3.83Å; F691-Y699 AromaticContact CE1-CG 3.99Å; F691-Y699 HydrophobicContact CE1-CG 3.99Å; F691-M702 HydrophobicContact CE1-CE 4.48Å; F691-M702 HydrophobicContact CE1-SD 4.24Å; F691-W703 HydrophobicContact CB-CB 4.23Å; F691-W703 HydrophobicContact CB-CD2 4.48Å; F691-W703 HydrophobicContact CB-CE3 3.89Å; F691-M706 HydrophobicContact CB-CE 3.8Å; F691-M706 HydrophobicContact CD1-CE 4.08Å; F691-M706 HydrophobicContact CD2-CE 3.86Å; F691-M706 HydrophobicContact CE2-CE 4.49Å; F691-M706 HydrophobicContact CG-CE 3.65Å; F691-L735 HydrophobicContact CE2-CD1 3.69Å; F691-L735 HydrophobicContact CZ-CD1 3.79Å
692	R	90.5	Very high	90.4	Very high	146 Å²	146	62.6 Å²	62.6	55%	0.551	31%	0.307	S	S	*	.	H	α-helix	trans	-61.9	-36.6	176.4	-172.6	-177.1	-169.8	179.8	4.1	113.6	K688 E689 F690 W703	K688-R692 PolarHBondContact O-N 3.09Å; E689-R692 PolarHBondContact O-N 3.4Å; E689-R692 WeakPolarHBondContact OE2-CD 3.39Å; E689-R692 IonicContact OE2-NH1 2.73Å; F690-R692 VanDerWaalsContact C-N 3.32Å; F690-R692 PolarHBondContact O-N 2.85Å; R692-W703 HydrophobicContact CB-CD2 4.15Å; R692-W703 HydrophobicContact CB-CE3 4.38Å; R692-W703 HydrophobicContact CB-CH2 3.96Å; R692-W703 HydrophobicContact CB-CZ2 3.68Å; R692-W703 HydrophobicContact CB-CZ3 4.29Å; R692-W703 HydrophobicContact CG-CH2 4.25Å; R692-W703 HydrophobicContact CG-CZ2 3.59Å
693	R	89.8	Confident	90.6	Very high	148 Å²	148	63.1 Å²	63.1	56%	0.558	31%	0.307	S	S	*	.	H	α-helix	trans	-96.2	-9.6	-178.2	-67.1	-172.5	-177.7	-149	-0.1	113.9	E689 F690 F691	E689-R693 HydrophobicContact CG-CG 4.47Å; E689-R693 WeakPolarHBondContact O-CG 3.46Å; E689-R693 PolarHBondContact O-N 3.33Å; E689-R693 IonicContact OE1-CZ 3.03Å; E689-R693 IonicContact OE1-NE 2.57Å; E689-R693 PolarHBondContact OE1-NE 3.11Å; E689-R693 IonicContact OE1-NH2 3.33Å; E689-R693 PolarHBondContact OE1-NH2 2.93Å; F690-R693 PolarHBondContact O-N 3.28Å; F691-R693 VanDerWaalsContact C-N 3.33Å; F691-R693 PolarHBondContact O-N 2.88Å
694	S	92.1	Very high	91	Very high	18 Å²	18	62.9 Å²	62.9	13%	0.126	31%	0.311	C	S	.	.			trans	-60.4	144.2	-175.4	-162.8	0	0	0	0	111.7	F690 F691 Y699	F690-S694 WeakPolarHBondContact O-CB 3.13Å; F690-S694 PolarHBondContact O-N 2.9Å; F691-S694 PolarHBondContact O-N 3.3Å; S694-Y699 WeakPolarHBondContact OG-CB 3.3Å; S694-Y699 WeakPolarHBondContact OG-CD2 3.38Å
695	K	92.1	Very high	91.9	Very high	185 Å²	185	63.4 Å²	63.4	80%	0.804	31%	0.306	S	S	*	.			trans	-110.6	2	177.7	-60.8	-60.5	-177.3	-178.3	0	113
696	I	93.1	Very high	92.5	Very high	94 Å²	94	62.8 Å²	62.8	48%	0.482	30%	0.3	S	S	.	.	S	Bend	trans	-84.3	125.8	178.5	-62.3	170.2	0	0	0	107.8	V698 Y699 E700	I696-V698 VanDerWaalsContact C-N 3.27Å; I696-V698 PolarHBondContact O-N 3.23Å; I696-V698 VanDerWaalsContact O-N 3.16Å; I696-Y699 HydrophobicContact CB-CD2 3.77Å; I696-Y699 HydrophobicContact CB-CE2 4.39Å; I696-Y699 HydrophobicContact CB-CG 4.29Å; I696-Y699 HydrophobicContact CD1-CD2 3.77Å; I696-Y699 HydrophobicContact CD1-CE2 3.66Å; I696-Y699 HydrophobicContact CG1-CD2 4.29Å; I696-Y699 HydrophobicContact CG2-CD2 4.1Å; I696-Y699 HydrophobicContact CG2-CE2 4.43Å; I696-Y699 HydrophobicContact CG2-CG 4.43Å; I696-Y699 PolarHBondContact O-N 3.43Å; I696-E700 PolarHBondContact O-N 3.16Å
697	A	92.9	Very high	92.9	Very high	77 Å²	77	69.7 Å²	69.7	64%	0.636	33%	0.327	S	S	*	.	H	α-helix	trans	-53.7	-39.8	-172.5	0	0	0	0	0	113.8	E700 K701	A697-E700 PolarHBondContact O-N 3.41Å; A697-K701 WeakPolarHBondContact O-CB 3.39Å; A697-K701 PolarHBondContact O-N 3.31Å
698	V	94.3	Very high	93	Very high	44 Å²	44	73.3 Å²	73.3	27%	0.267	35%	0.353	S	S	.	.	H	α-helix	trans	-61.6	-47	176.7	179.9	0	0	0	0	111	E669 A672 I696 K701 M702	E669-V698 HydrophobicContact CG-CG1 4.23Å; E669-V698 HydrophobicContact CG-CG2 4.41Å; A672-V698 HydrophobicContact CB-CG1 3.99Å; I696-V698 VanDerWaalsContact C-N 3.27Å; I696-V698 PolarHBondContact O-N 3.23Å; I696-V698 VanDerWaalsContact O-N 3.16Å; V698-K701 PolarHBondContact O-N 2.95Å; V698-M702 HydrophobicContact CG1-SD 4.48Å; V698-M702 WeakPolarHBondContact O-CG 3.19Å; V698-M702 PolarHBondContact O-N 3.5Å
699	Y	94.8	Very high	93.1	Very high	30 Å²	30	71.9 Å²	71.9	12%	0.118	35%	0.35	C	S	.	.	H	α-helix	trans	-72.8	-32.2	-178.4	-61.2	-22.7	0	0	0	112.8	A668 F690 F691 S694 I696 M702 W703 L759	A668-Y699 HydrophobicContact CB-CE1 4.49Å; F690-Y699 HydrophobicContact CE1-CD2 4.11Å; F690-Y699 HydrophobicContact CE1-CE2 4.27Å; F690-Y699 HydrophobicContact CZ-CD2 4.16Å; F690-Y699 HydrophobicContact CZ-CE2 4.1Å; F691-Y699 HydrophobicContact CD1-CG 4.33Å; F691-Y699 AromaticContact CE1-CD1 3.83Å; F691-Y699 HydrophobicContact CE1-CD1 3.83Å; F691-Y699 AromaticContact CE1-CG 3.99Å; F691-Y699 HydrophobicContact CE1-CG 3.99Å; S694-Y699 WeakPolarHBondContact OG-CB 3.3Å; S694-Y699 WeakPolarHBondContact OG-CD2 3.38Å; I696-Y699 HydrophobicContact CB-CD2 3.77Å; I696-Y699 HydrophobicContact CB-CE2 4.39Å; I696-Y699 HydrophobicContact CB-CG 4.29Å; I696-Y699 HydrophobicContact CD1-CD2 3.77Å; I696-Y699 HydrophobicContact CD1-CE2 3.66Å; I696-Y699 HydrophobicContact CG1-CD2 4.29Å; I696-Y699 HydrophobicContact CG2-CD2 4.1Å; I696-Y699 HydrophobicContact CG2-CE2 4.43Å; I696-Y699 HydrophobicContact CG2-CG 4.43Å; I696-Y699 PolarHBondContact O-N 3.43Å; Y699-M702 HydrophobicContact CD1-SD 4.1Å; Y699-M702 PolarHBondContact O-N 3.39Å; Y699-W703 WeakPolarHBondContact O-CB 3.5Å; Y699-W703 PolarHBondContact O-N 2.93Å; Y699-L759 HydrophobicContact CE1-CD2 3.81Å; Y699-L759 VanDerWaalsContact OH-CD2 3.26Å; Y699-L759 WeakPolarHBondContact OH-CD2 3.16Å; Y699-L759 PolarHBondContact OH-O 3.31Å
700	E	94.3	Very high	93.1	Very high	106 Å²	106	78 Å²	78	50%	0.495	38%	0.379	S	S	.	.	H	α-helix	trans	-67.1	-39.6	172.8	-173	172.3	-165	0	0	111.6	I696 A697 W703 S704	I696-E700 PolarHBondContact O-N 3.16Å; A697-E700 PolarHBondContact O-N 3.41Å; E700-W703 PolarHBondContact O-N 3.46Å; E700-S704 WeakPolarHBondContact O-CB 3.35Å; E700-S704 PolarHBondContact O-N 2.85Å; E700-S704 PolarHBondContact O-OG 3.25Å
701	K	93.8	Very high	93	Very high	120 Å²	120	80.6 Å²	80.6	52%	0.522	40%	0.401	S	S	.	.	H	α-helix	trans	-62.5	-45.3	171.8	-169.9	-176.1	-177	-163.3	0	111.3	A672 A697 V698 W703 S704 Y705	A672-K701 WeakPolarHBondContact O-CE 3.4Å; A672-K701 PolarHBondContact O-NZ 3.46Å; A697-K701 WeakPolarHBondContact O-CB 3.39Å; A697-K701 PolarHBondContact O-N 3.31Å; V698-K701 PolarHBondContact O-N 2.95Å; K701-W703 VanDerWaalsContact C-N 3.34Å; K701-W703 PolarHBondContact O-N 3.24Å; K701-S704 PolarHBondContact O-N 2.91Å; K701-Y705 PolarHBondContact O-N 3.34Å
702	M	95.1	Very high	93.1	Very high	0 Å²	0	84 Å²	84	0%	0	43%	0.425	C	S	.	.	H	α-helix	trans	-60.3	-42.4	174.7	-71.2	179.1	78.5	0	0	112.1	A668 A672 Y679 F691 V698 Y699 Y705 M706 L735	A668-M702 HydrophobicContact CB-CE 4.46Å; A668-M702 HydrophobicContact CB-SD 4.14Å; A672-M702 HydrophobicContact CB-CG 3.83Å; Y679-M702 HydrophobicContact CD2-CE 3.8Å; Y679-M702 HydrophobicContact CE2-CB 3.8Å; Y679-M702 HydrophobicContact CE2-CE 3.65Å; Y679-M702 HydrophobicContact CE2-CG 3.9Å; F691-M702 HydrophobicContact CE1-CE 4.48Å; F691-M702 HydrophobicContact CE1-SD 4.24Å; V698-M702 HydrophobicContact CG1-SD 4.48Å; V698-M702 WeakPolarHBondContact O-CG 3.19Å; V698-M702 PolarHBondContact O-N 3.5Å; Y699-M702 HydrophobicContact CD1-SD 4.1Å; Y699-M702 PolarHBondContact O-N 3.39Å; M702-Y705 PolarHBondContact O-N 3.36Å; M702-M706 HydrophobicContact CB-CE 4.42Å; M702-M706 WeakPolarHBondContact O-CG 3.46Å; M702-M706 PolarHBondContact O-N 3.38Å; M702-L735 HydrophobicContact CE-CD1 3.95Å
703	W	95.4	Very high	93.3	Very high	40 Å²	40	77.1 Å²	77.1	15%	0.152	40%	0.399	C	S	.	.	H	α-helix	trans	-63.3	-43.3	176	176	-113.7	0	0	0	112.1	K688 F691 R692 Y699 E700 K701 Y705 M706 K707 F714	K688-W703 HydrophobicContact CG-CH2 4.08Å; K688-W703 HydrophobicContact CG-CZ3 3.8Å; F691-W703 HydrophobicContact CB-CB 4.23Å; F691-W703 HydrophobicContact CB-CD2 4.48Å; F691-W703 HydrophobicContact CB-CE3 3.89Å; R692-W703 HydrophobicContact CB-CD2 4.15Å; R692-W703 HydrophobicContact CB-CE3 4.38Å; R692-W703 HydrophobicContact CB-CH2 3.96Å; R692-W703 HydrophobicContact CB-CZ2 3.68Å; R692-W703 HydrophobicContact CB-CZ3 4.29Å; R692-W703 HydrophobicContact CG-CH2 4.25Å; R692-W703 HydrophobicContact CG-CZ2 3.59Å; Y699-W703 WeakPolarHBondContact O-CB 3.5Å; Y699-W703 PolarHBondContact O-N 2.93Å; E700-W703 PolarHBondContact O-N 3.46Å; K701-W703 VanDerWaalsContact C-N 3.34Å; K701-W703 PolarHBondContact O-N 3.24Å; W703-Y705 VanDerWaalsContact C-N 3.32Å; W703-Y705 PolarHBondContact O-N 2.94Å; W703-M706 HydrophobicContact CE3-CE 4.18Å; W703-M706 PolarHBondContact O-N 2.9Å; W703-K707 VanDerWaalsContact O-CB 3.31Å; W703-K707 WeakPolarHBondContact O-CB 3.22Å; W703-K707 PolarHBondContact O-N 3.18Å; W703-F714 HydrophobicContact CH2-CZ 4.29Å; W703-F714 HydrophobicContact CZ3-CE1 4.17Å; W703-F714 AromaticContact CZ3-CZ 3.83Å; W703-F714 HydrophobicContact CZ3-CZ 3.83Å
704	S	94	Very high	93.5	Very high	64 Å²	64	71.8 Å²	71.8	45%	0.448	38%	0.38	S	S	.	.	H	α-helix	trans	-59.6	-44.9	177.3	-60.2	0	0	0	0	111.1	E700 K701 K707 S708	E700-S704 WeakPolarHBondContact O-CB 3.35Å; E700-S704 PolarHBondContact O-N 2.85Å; E700-S704 PolarHBondContact O-OG 3.25Å; K701-S704 PolarHBondContact O-N 2.91Å; S704-K707 PolarHBondContact O-N 3.16Å; S704-S708 PolarHBondContact O-N 3.1Å; S704-S708 PolarHBondContact O-OG 3.17Å; S704-S708 VanDerWaalsContact O-OG 3.08Å
705	Y	94.9	Very high	93.4	Very high	55 Å²	55	71.4 Å²	71.4	22%	0.216	38%	0.377	C	S	.	.	H	α-helix	trans	-59.3	-51.3	171.9	170.8	-93.8	0	0	0	112	A678 Y679 K701 M702 W703 K707 S708 A709	A678-Y705 WeakPolarHBondContact CA-OH 3.37Å; A678-Y705 WeakPolarHBondContact CB-OH 3.44Å; Y679-Y705 HydrophobicContact CD1-CD1 4.37Å; Y679-Y705 HydrophobicContact CD1-CE1 4.07Å; Y679-Y705 HydrophobicContact CD2-CD1 4.19Å; Y679-Y705 HydrophobicContact CD2-CE1 4.36Å; Y679-Y705 AromaticContact CE1-CD1 3.77Å; Y679-Y705 HydrophobicContact CE1-CD1 3.77Å; Y679-Y705 AromaticContact CE1-CE1 3.82Å; Y679-Y705 HydrophobicContact CE1-CE1 3.82Å; Y679-Y705 HydrophobicContact CE1-CG 4.45Å; Y679-Y705 AromaticContact CE2-CD1 3.55Å; Y679-Y705 HydrophobicContact CE2-CD1 3.55Å; Y679-Y705 HydrophobicContact CE2-CE1 4.12Å; Y679-Y705 HydrophobicContact CE2-CG 4.44Å; Y679-Y705 HydrophobicContact CG-CE1 4.34Å; Y679-Y705 AromaticContact CZ-CD1 3.33Å; Y679-Y705 AromaticContact CZ-CE1 3.86Å; Y679-Y705 AromaticContact CZ-CG 3.94Å; Y679-Y705 WeakPolarHBondContact OH-CD1 3.38Å; K701-Y705 PolarHBondContact O-N 3.34Å; M702-Y705 PolarHBondContact O-N 3.36Å; W703-Y705 VanDerWaalsContact C-N 3.32Å; W703-Y705 PolarHBondContact O-N 2.94Å; Y705-K707 PolarHBondContact O-N 3.34Å; Y705-S708 CarbonylContact O-C 3.59Å; Y705-S708 PolarHBondContact O-N 3.31Å; Y705-S708 VanDerWaalsContact O-N 3.12Å; Y705-S708 PolarHBondContact O-OG 3.3Å; Y705-A709 HydrophobicContact CE1-CB 4.38Å; Y705-A709 VanDerWaalsContact O-CB 3.28Å; Y705-A709 WeakPolarHBondContact O-CB 3.42Å; Y705-A709 PolarHBondContact O-N 3.29Å
706	M	95	Very high	93.3	Very high	3 Å²	3	71.2 Å²	71.2	2%	0.015	38%	0.376	C	S	.	.	H	α-helix	trans	-61.6	-31.8	-179.1	-72.7	-173	-75.2	0	0	112.6	Y679 T681 F691 M702 W703 V713 F714	Y679-M706 HydrophobicContact CD2-CG 4.03Å; Y679-M706 HydrophobicContact CD2-SD 4.28Å; Y679-M706 HydrophobicContact CE2-CG 4Å; T681-M706 HydrophobicContact CG2-CE 4.49Å; T681-M706 HydrophobicContact CG2-SD 3.82Å; F691-M706 HydrophobicContact CB-CE 3.8Å; F691-M706 HydrophobicContact CD1-CE 4.08Å; F691-M706 HydrophobicContact CD2-CE 3.86Å; F691-M706 HydrophobicContact CE2-CE 4.49Å; F691-M706 HydrophobicContact CG-CE 3.65Å; M702-M706 HydrophobicContact CB-CE 4.42Å; M702-M706 WeakPolarHBondContact O-CG 3.46Å; M702-M706 PolarHBondContact O-N 3.38Å; W703-M706 HydrophobicContact CE3-CE 4.18Å; W703-M706 PolarHBondContact O-N 2.9Å; M706-V713 HydrophobicContact CB-CG2 3.98Å; M706-V713 HydrophobicContact CG-CG2 4.01Å; M706-F714 HydrophobicContact CB-CE1 4.32Å; M706-F714 HydrophobicContact CB-CZ 3.83Å; M706-F714 WeakPolarHBondContact O-CE2 3.47Å; M706-F714 HydrophobicContact SD-CE1 4.4Å
707	K	93.5	Very high	93	Very high	161 Å²	161	69.9 Å²	69.9	70%	0.7	37%	0.373	S	S	*	.	H	α-helix	trans	-73.3	-36.3	176.4	-173.1	-176.1	176.9	-168.6	0	112.4	W703 S704 Y705	W703-K707 VanDerWaalsContact O-CB 3.31Å; W703-K707 WeakPolarHBondContact O-CB 3.22Å; W703-K707 PolarHBondContact O-N 3.18Å; S704-K707 PolarHBondContact O-N 3.16Å; Y705-K707 PolarHBondContact O-N 3.34Å
708	S	93.5	Very high	92.8	Very high	87 Å²	87	67.4 Å²	67.4	61%	0.608	35%	0.349	S	S	*	.	H	α-helix	trans	-93.7	-4.2	-178.5	66.4	0	0	0	0	114.4	S704 Y705 E710	S704-S708 PolarHBondContact O-N 3.1Å; S704-S708 PolarHBondContact O-OG 3.17Å; S704-S708 VanDerWaalsContact O-OG 3.08Å; Y705-S708 CarbonylContact O-C 3.59Å; Y705-S708 PolarHBondContact O-N 3.31Å; Y705-S708 VanDerWaalsContact O-N 3.12Å; Y705-S708 PolarHBondContact O-OG 3.3Å; S708-E710 PolarHBondContact O-N 3.34Å
709	A	92.4	Very high	92.7	Very high	17 Å²	17	68.7 Å²	68.7	14%	0.14	37%	0.365	C	S	.	.			trans	-72.9	123.2	-174.4	0	0	0	0	0	112.3	Y705 P711 V713	Y705-A709 HydrophobicContact CE1-CB 4.38Å; Y705-A709 VanDerWaalsContact O-CB 3.28Å; Y705-A709 WeakPolarHBondContact O-CB 3.42Å; Y705-A709 PolarHBondContact O-N 3.29Å; A709-P711 CarbonylContact O-C 3.48Å; A709-V713 HydrophobicContact CB-CB 4.49Å; A709-V713 HydrophobicContact CB-CG1 3.57Å; A709-V713 HydrophobicContact CB-CG2 4.17Å
710	E	89.3	Confident	92.6	Very high	188 Å²	188	71.1 Å²	71.1	88%	0.879	38%	0.38	S	S	*	.	S	Bend	trans	-119.6	123.1	173	-67.3	-174.7	177.7	0	0	109.6	S708	S708-E710 PolarHBondContact O-N 3.34Å
711	P	90.3	Very high	92.5	Very high	109 Å²	109	66 Å²	66	71%	0.708	36%	0.356	S	S	*	.	S	Bend	cis	-73.7	160.8	-0.1	32.2	-36.6	0	0	0	113.3	A709 V713	A709-P711 CarbonylContact O-C 3.48Å; P711-V713 PolarHBondContact O-N 3.33Å
712	S	93.5	Very high	92.5	Very high	71 Å²	71	60.7 Å²	60.7	50%	0.497	33%	0.334	S	S	.	.			trans	-46.8	127	-177.4	180	0	0	0	0	113	F714 R724	S712-F714 VanDerWaalsContact C-N 3.35Å; S712-F714 PolarHBondContact OG-N 3.02Å; S712-R724 PolarHBondContact O-NH1 3.34Å; S712-R724 PolarHBondContact O-NH2 2.9Å
713	V	94.6	Very high	92.5	Very high	2 Å²	2	62.4 Å²	62.4	1%	0.012	35%	0.347	C	S	.	.			trans	-83.8	-13.4	176.7	-66.4	0	0	0	0	112.7	Y679 M706 A709 P711 F732	Y679-V713 WeakPolarHBondContact O-CB 3.45Å; Y679-V713 WeakPolarHBondContact O-CG2 3.46Å; M706-V713 HydrophobicContact CB-CG2 3.98Å; M706-V713 HydrophobicContact CG-CG2 4.01Å; A709-V713 HydrophobicContact CB-CB 4.49Å; A709-V713 HydrophobicContact CB-CG1 3.57Å; A709-V713 HydrophobicContact CB-CG2 4.17Å; P711-V713 PolarHBondContact O-N 3.33Å; V713-F732 HydrophobicContact CB-CE2 4.42Å
714	F	94.4	Very high	92.5	Very high	36 Å²	36	63.7 Å²	63.7	16%	0.158	35%	0.352	C	S	.	.			trans	-78.2	142.5	-180	-57.8	-70.9	0	0	0	111.9	T681 D683 K688 W703 M706 S712	T681-F714 VanDerWaalsContact O-CA 3.31Å; T681-F714 WeakPolarHBondContact O-CA 3.44Å; D683-F714 HydrophobicContact CB-CB 4.26Å; K688-F714 HydrophobicContact CD-CD1 4.23Å; K688-F714 HydrophobicContact CD-CE1 4.14Å; K688-F714 HydrophobicContact CG-CD1 4.4Å; K688-F714 HydrophobicContact CG-CE1 3.92Å; W703-F714 HydrophobicContact CH2-CZ 4.29Å; W703-F714 HydrophobicContact CZ3-CE1 4.17Å; W703-F714 AromaticContact CZ3-CZ 3.83Å; W703-F714 HydrophobicContact CZ3-CZ 3.83Å; M706-F714 HydrophobicContact CB-CE1 4.32Å; M706-F714 HydrophobicContact CB-CZ 3.83Å; M706-F714 WeakPolarHBondContact O-CE2 3.47Å; M706-F714 HydrophobicContact SD-CE1 4.4Å; S712-F714 VanDerWaalsContact C-N 3.35Å; S712-F714 PolarHBondContact OG-N 3.02Å
715	T	91.1	Very high	92.5	Very high	10 Å²	10	60.7 Å²	60.7	6%	0.061	33%	0.331	C	S	.	.	B	Isolated β-bridge	trans	-112.5	150.3	176.6	65.9	0	0	0	0	112.1	T681 D683 T717 F734	T681-T715 PolarHBondContact O-N 3.39Å; T681-T715 VanDerWaalsContact O-N 3.07Å; D683-T715 WeakPolarHBondContact CB-O 3.44Å; D683-T715 PolarHBondContact N-O 3.48Å; T715-T717 PolarHBondContact OG1-O 3.01Å; T715-F734 HydrophobicContact CG2-CE2 4.27Å; T715-F734 VanDerWaalsContact OG1-CE2 3.31Å; T715-F734 WeakPolarHBondContact OG1-CE2 3.43Å
716	K	88.3	Confident	92.5	Very high	182 Å²	182	61.3 Å²	61.3	79%	0.791	33%	0.333	S	S	*	.	S	Bend	trans	-77.3	-41	-179.9	-66.3	-176.8	-179.2	179.5	0	112.1	L682	L682-K716 WeakPolarHBondContact CD1-O 3.48Å
717	T	88.3	Confident	92.4	Very high	66 Å²	66	69.5 Å²	69.5	41%	0.405	37%	0.368	S	S	.	.	S	Bend	trans	-123.3	160.1	178	71.4	0	0	0	0	111.6	L682 T715 A719 D720 G721	L682-T717 VanDerWaalsContact CD1-C 3.45Å; T715-T717 PolarHBondContact OG1-O 3.01Å; T717-A719 VanDerWaalsContact C-N 3.31Å; T717-D720 PolarHBondContact N-OD2 3.09Å; T717-D720 PolarHBondContact O-N 2.88Å; T717-D720 PolarHBondContact OG1-N 2.83Å; T717-D720 PolarHBondContact OG1-OD2 2.92Å; T717-G721 PolarHBondContact O-N 2.75Å
718	T	88.7	Confident	92.3	Very high	24 Å²	24	63.5 Å²	63.5	15%	0.147	35%	0.347	C	S	.	.	H	α-helix	trans	-62.6	-39.7	174.9	-49.4	0	0	0	0	111.2	E432 D720 G721 V722 F734 L736 M740	E432-T718 PolarHBondContact OE1-OG1 2.98Å; T718-D720 PolarHBondContact O-N 2.88Å; T718-G721 PolarHBondContact O-N 3.35Å; T718-V722 WeakPolarHBondContact O-CG2 3.43Å; T718-V722 PolarHBondContact O-N 3.47Å; T718-F734 HydrophobicContact CG2-CE1 4.36Å; T718-L736 HydrophobicContact CG2-CD1 4.45Å; T718-M740 HydrophobicContact CG2-CE 3.68Å; T718-M740 HydrophobicContact CG2-CG 3.95Å
719	A	91.4	Very high	92	Very high	71 Å²	71	68.1 Å²	68.1	59%	0.587	36%	0.356	S	S	*	.	H	α-helix	trans	-62.8	-39.2	178.3	0	0	0	0	0	112.6	T717 G721 V722 A723	T717-A719 VanDerWaalsContact C-N 3.31Å; A719-G721 VanDerWaalsContact C-N 3.32Å; A719-G721 PolarHBondContact O-N 2.9Å; A719-V722 PolarHBondContact O-N 3.28Å; A719-A723 WeakPolarHBondContact O-CB 3.27Å; A719-A723 PolarHBondContact O-N 3.47Å
720	D	92.5	Very high	91.7	Very high	81 Å²	81	68.6 Å²	68.6	43%	0.433	36%	0.362	S	S	.	.	H	α-helix	trans	-62.5	-40.5	175.1	-63.7	-34.7	0	0	0	111.6	T717 T718 A723 R724	T717-D720 PolarHBondContact N-OD2 3.09Å; T717-D720 PolarHBondContact O-N 2.88Å; T717-D720 PolarHBondContact OG1-N 2.83Å; T717-D720 PolarHBondContact OG1-OD2 2.92Å; T718-D720 PolarHBondContact O-N 2.88Å; D720-A723 PolarHBondContact O-N 3.08Å; D720-R724 VanDerWaalsContact O-CB 3.3Å; D720-R724 WeakPolarHBondContact O-CB 3.37Å; D720-R724 PolarHBondContact O-N 3.23Å
721	G	92.9	Very high	91.9	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-61	-49.6	175.3	0	0	0	0	0	112.4	T717 T718 A719 A723 R724 V725	T717-G721 PolarHBondContact O-N 2.75Å; T718-G721 PolarHBondContact O-N 3.35Å; A719-G721 VanDerWaalsContact C-N 3.32Å; A719-G721 PolarHBondContact O-N 2.9Å; G721-A723 PolarHBondContact O-N 3.49Å; G721-R724 WeakPolarHBondContact O-CB 3.45Å; G721-R724 PolarHBondContact O-N 3.08Å; G721-V725 WeakPolarHBondContact O-CG2 3.33Å; G721-V725 PolarHBondContact O-N 3.44Å
722	V	94.1	Very high	92.1	Very high	8 Å²	8	59.4 Å²	59.4	5%	0.048	31%	0.308	C	S	.	.	H	α-helix	trans	-60.4	-47.4	176.4	175.3	0	0	0	0	110.9	M533 T718 A719 R724 V725 R726 I744	M533-V722 HydrophobicContact CE-CG2 4.29Å; M533-V722 HydrophobicContact SD-CG2 4.02Å; T718-V722 WeakPolarHBondContact O-CG2 3.43Å; T718-V722 PolarHBondContact O-N 3.47Å; A719-V722 PolarHBondContact O-N 3.28Å; V722-R724 VanDerWaalsContact C-N 3.29Å; V722-R724 PolarHBondContact O-N 3.31Å; V722-V725 PolarHBondContact O-N 2.86Å; V722-R726 WeakPolarHBondContact O-CG 3.36Å; V722-R726 PolarHBondContact O-N 2.93Å; V722-I744 HydrophobicContact CG1-CG2 3.73Å; V722-I744 HydrophobicContact CG2-CD1 4.43Å; V722-I744 HydrophobicContact CG2-CG1 4.2Å; V722-I744 HydrophobicContact CG2-CG2 4.21Å
723	A	94.4	Very high	92.1	Very high	35 Å²	35	56 Å²	56	29%	0.289	29%	0.285	S	S	.	.	H	α-helix	trans	-62.2	-37.3	178.7	0	0	0	0	0	112.2	A719 D720 G721 R726 K727	A719-A723 WeakPolarHBondContact O-CB 3.27Å; A719-A723 PolarHBondContact O-N 3.47Å; D720-A723 PolarHBondContact O-N 3.08Å; G721-A723 PolarHBondContact O-N 3.49Å; A723-R726 PolarHBondContact O-N 3.18Å; A723-K727 WeakPolarHBondContact O-CB 3.2Å; A723-K727 VanDerWaalsContact O-CG 3.3Å; A723-K727 WeakPolarHBondContact O-CG 3.28Å; A723-K727 PolarHBondContact O-N 2.91Å
724	R	95.1	Very high	92.2	Very high	68 Å²	68	56 Å²	56	26%	0.257	28%	0.284	S	S	.	.	H	α-helix	trans	-63.1	-45.6	175.3	-172.2	175.6	-179.5	167.8	3.1	111.3	S712 D720 G721 V722 R726 K727 S728 F732	S712-R724 PolarHBondContact O-NH1 3.34Å; S712-R724 PolarHBondContact O-NH2 2.9Å; D720-R724 VanDerWaalsContact O-CB 3.3Å; D720-R724 WeakPolarHBondContact O-CB 3.37Å; D720-R724 PolarHBondContact O-N 3.23Å; G721-R724 WeakPolarHBondContact O-CB 3.45Å; G721-R724 PolarHBondContact O-N 3.08Å; V722-R724 VanDerWaalsContact C-N 3.29Å; V722-R724 PolarHBondContact O-N 3.31Å; R724-R726 VanDerWaalsContact C-N 3.34Å; R724-R726 PolarHBondContact O-N 3.4Å; R724-K727 PolarHBondContact O-N 3.09Å; R724-S728 VanDerWaalsContact O-CB 3.28Å; R724-S728 WeakPolarHBondContact O-CB 3.42Å; R724-S728 PolarHBondContact O-N 3.29Å; R724-S728 PolarHBondContact O-OG 3.34Å; R724-F732 HydrophobicContact CB-CD1 4.15Å; R724-F732 HydrophobicContact CB-CE1 4.19Å; R724-F732 HydrophobicContact CG-CD1 3.7Å; R724-F732 HydrophobicContact CG-CE1 3.9Å; R724-F732 HydrophobicContact CG-CG 4.08Å; R724-F732 HydrophobicContact CG-CZ 4.44Å
725	V	94.8	Very high	92.2	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-57.5	-48.2	174.4	174.3	0	0	0	0	110.8	M533 I534 K535 G721 V722 K727 S728 F732 F734	M533-V725 HydrophobicContact CG-CG1 4.47Å; I534-V725 VanDerWaalsContact C-CG1 3.5Å; K535-V725 HydrophobicContact CB-CG1 4.23Å; K535-V725 VanDerWaalsContact N-CG1 3.32Å; G721-V725 WeakPolarHBondContact O-CG2 3.33Å; G721-V725 PolarHBondContact O-N 3.44Å; V722-V725 PolarHBondContact O-N 2.86Å; V725-K727 VanDerWaalsContact C-N 3.34Å; V725-K727 PolarHBondContact O-N 3.26Å; V725-S728 PolarHBondContact O-N 3.23Å; V725-F732 HydrophobicContact CG2-CD1 3.71Å; V725-F732 HydrophobicContact CG2-CE1 4.15Å; V725-F734 HydrophobicContact CG2-CB 3.42Å; V725-F734 VanDerWaalsContact CG2-CB 3.42Å
726	R	93.5	Very high	92.4	Very high	68 Å²	68	54.4 Å²	54.4	26%	0.257	28%	0.277	S	S	.	.	H	α-helix	trans	-60.8	-40.6	-178.7	-69.1	-177.9	167.8	162.7	0.7	112.9	K535 V722 A723 R724 D751 T752	K535-R726 PolarHBondContact NZ-O 3.38Å; V722-R726 WeakPolarHBondContact O-CG 3.36Å; V722-R726 PolarHBondContact O-N 2.93Å; A723-R726 PolarHBondContact O-N 3.18Å; R724-R726 VanDerWaalsContact C-N 3.34Å; R724-R726 PolarHBondContact O-N 3.4Å; R726-D751 WeakPolarHBondContact CD-OD1 3.49Å; R726-D751 WeakPolarHBondContact CG-OD2 3.32Å; R726-D751 IonicContact CZ-OD1 2.72Å; R726-D751 IonicContact NE-OD1 3.18Å; R726-D751 PolarHBondContact NE-OD1 3.38Å; R726-D751 IonicContact NE-OD2 3.84Å; R726-D751 IonicContact NH2-OD1 3.74Å; R726-T752 HydrophobicContact CG-CG2 4.34Å
727	K	93.5	Very high	92.6	Very high	175 Å²	175	46.8 Å²	46.8	76%	0.761	24%	0.244	S	C	*	.	H	α-helix	trans	-77.9	-28.1	-178.8	-71.3	175.4	-178.7	-179.3	0	113.6	A723 R724 V725 K729	A723-K727 WeakPolarHBondContact O-CB 3.2Å; A723-K727 VanDerWaalsContact O-CG 3.3Å; A723-K727 WeakPolarHBondContact O-CG 3.28Å; A723-K727 PolarHBondContact O-N 2.91Å; R724-K727 PolarHBondContact O-N 3.09Å; V725-K727 VanDerWaalsContact C-N 3.34Å; V725-K727 PolarHBondContact O-N 3.26Å; K727-K729 PolarHBondContact O-N 3.47Å
728	S	91.1	Very high	92.9	Very high	35 Å²	35	43.8 Å²	43.8	25%	0.245	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	5.2	-172.1	-57.5	0	0	0	0	114.7	R724 V725 G730 K731 F732	R724-S728 VanDerWaalsContact O-CB 3.28Å; R724-S728 WeakPolarHBondContact O-CB 3.42Å; R724-S728 PolarHBondContact O-N 3.29Å; R724-S728 PolarHBondContact O-OG 3.34Å; V725-S728 PolarHBondContact O-N 3.23Å; S728-G730 PolarHBondContact O-N 3.43Å; S728-K731 WeakPolarHBondContact O-CB 3.44Å; S728-K731 PolarHBondContact O-N 3.42Å; S728-F732 WeakPolarHBondContact OG-CB 3.36Å
729	K	87.6	Confident	93.1	Very high	185 Å²	185	42.7 Å²	42.7	80%	0.804	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.1	39.7	177.1	-59	-176.1	-178.6	179.9	0	113.9	K727	K727-K729 PolarHBondContact O-N 3.47Å
730	G	87	Confident	93.1	Very high	26 Å²	26	40.1 Å²	40.1	27%	0.268	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.1	3.6	-179.9	0	0	0	0	0	115.9	I677 S728	I677-G730 WeakPolarHBondContact CG1-O 3.22Å; S728-G730 PolarHBondContact O-N 3.43Å
731	K	91.8	Very high	93.2	Very high	101 Å²	101	36.2 Å²	36.2	44%	0.439	18%	0.175	S	C	.	.	S	Bend	trans	-92.6	5.4	175.9	-57.6	-62.9	-177.6	-170.9	0	114.5	E676 I677 A678 S728	E676-K731 HydrophobicContact CG-CD 4.18Å; E676-K731 IonicContact OE1-NZ 3.87Å; E676-K731 PolarHBondContact OE1-NZ 3.36Å; I677-K731 WeakPolarHBondContact CA-O 3.32Å; A678-K731 PolarHBondContact N-O 3.33Å; S728-K731 WeakPolarHBondContact O-CB 3.44Å; S728-K731 PolarHBondContact O-N 3.42Å
732	F	94.4	Very high	93.1	Very high	3 Å²	3	38.2 Å²	38.2	1%	0.013	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	132.6	175.9	-174.1	-102.9	0	0	0	111.1	A678 V713 R724 V725 S728 F734	A678-F732 HydrophobicContact CB-CD2 3.96Å; A678-F732 CarbonylContact O-C 3.57Å; A678-F732 WeakPolarHBondContact O-CA 3.41Å; A678-F732 WeakPolarHBondContact O-CD2 3.39Å; V713-F732 HydrophobicContact CB-CE2 4.42Å; R724-F732 HydrophobicContact CB-CD1 4.15Å; R724-F732 HydrophobicContact CB-CE1 4.19Å; R724-F732 HydrophobicContact CG-CD1 3.7Å; R724-F732 HydrophobicContact CG-CE1 3.9Å; R724-F732 HydrophobicContact CG-CG 4.08Å; R724-F732 HydrophobicContact CG-CZ 4.44Å; V725-F732 HydrophobicContact CG2-CD1 3.71Å; V725-F732 HydrophobicContact CG2-CE1 4.15Å; S728-F732 WeakPolarHBondContact OG-CB 3.36Å; F732-F734 HydrophobicContact CE1-CB 4.08Å; F732-F734 HydrophobicContact CE1-CD2 4.18Å; F732-F734 HydrophobicContact CZ-CD2 4.48Å
733	A	94.8	Very high	93.1	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	138	172.8	0	0	0	0	0	110.2	I532 M533 I534 L671 I677 A678 Y679 G680	I532-A733 HydrophobicContact CG2-CB 4.13Å; M533-A733 WeakPolarHBondContact O-CA 3.34Å; I534-A733 HydrophobicContact CG2-CB 3.89Å; L671-A733 HydrophobicContact CD1-CB 4.38Å; L671-A733 HydrophobicContact CD2-CB 4.12Å; I677-A733 HydrophobicContact CG2-CB 4.18Å; A678-A733 PolarHBondContact O-N 3.31Å; Y679-A733 WeakPolarHBondContact CA-O 3.3Å; G680-A733 PolarHBondContact N-O 3.26Å
734	F	95.9	Very high	93	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.009	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	125.5	-179.7	-171.3	-126.4	0	0	0	110.4	M533 G680 T715 T718 V725 F732 L736	M533-F734 PolarHBondContact N-O 3.06Å; M533-F734 PolarHBondContact O-N 3.09Å; G680-F734 WeakPolarHBondContact O-CD2 3.34Å; T715-F734 HydrophobicContact CG2-CE2 4.27Å; T715-F734 VanDerWaalsContact OG1-CE2 3.31Å; T715-F734 WeakPolarHBondContact OG1-CE2 3.43Å; T718-F734 HydrophobicContact CG2-CE1 4.36Å; V725-F734 HydrophobicContact CG2-CB 3.42Å; V725-F734 VanDerWaalsContact CG2-CB 3.42Å; F732-F734 HydrophobicContact CE1-CB 4.08Å; F732-F734 HydrophobicContact CE1-CD2 4.18Å; F732-F734 HydrophobicContact CZ-CD2 4.48Å; F734-L736 HydrophobicContact CD1-CB 4.09Å; F734-L736 HydrophobicContact CD1-CD1 4.27Å; F734-L736 HydrophobicContact CD1-CD2 4.01Å; F734-L736 HydrophobicContact CD1-CG 4.35Å; F734-L736 HydrophobicContact CE1-CB 3.96Å; F734-L736 HydrophobicContact CE1-CD1 4.31Å; F734-L736 WeakPolarHBondContact O-CD2 3.45Å
735	L	95.7	Very high	92.8	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.01	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	113.8	178.6	-53.8	173.9	0	0	0	109	I530 S531 I532 Y679 G680 T681 F691 M702	I530-L735 HydrophobicContact CG2-CB 4.25Å; S531-L735 WeakPolarHBondContact O-CA 3.06Å; I532-L735 HydrophobicContact CB-CD2 4.27Å; I532-L735 HydrophobicContact CG1-CD2 3.64Å; I532-L735 HydrophobicContact CG2-CD2 4.35Å; Y679-L735 HydrophobicContact CD2-CD1 4.44Å; G680-L735 PolarHBondContact O-N 3.16Å; T681-L735 HydrophobicContact CG2-CB 4.03Å; T681-L735 HydrophobicContact CG2-CD1 4.09Å; F691-L735 HydrophobicContact CE2-CD1 3.69Å; F691-L735 HydrophobicContact CZ-CD1 3.79Å; M702-L735 HydrophobicContact CE-CD1 3.95Å
736	L	93.7	Very high	92.6	Very high	10 Å²	10	39.8 Å²	39.8	5%	0.052	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	168.3	-178	76.7	165.4	0	0	0	110.9	S531 M533 T718 F734 M740 N741	S531-L736 WeakPolarHBondContact CA-O 3.41Å; S531-L736 PolarHBondContact N-O 3.47Å; S531-L736 PolarHBondContact O-N 2.87Å; S531-L736 VanDerWaalsContact O-N 3.11Å; S531-L736 VanDerWaalsContact O-O 3.08Å; S531-L736 PolarHBondContact OG-O 3.37Å; M533-L736 HydrophobicContact CB-CD2 3.45Å; M533-L736 VanDerWaalsContact CB-CD2 3.45Å; M533-L736 HydrophobicContact CE-CD1 3.84Å; M533-L736 HydrophobicContact CE-CD2 3.98Å; M533-L736 HydrophobicContact CG-CD2 4.5Å; M533-L736 HydrophobicContact SD-CD2 4.43Å; T718-L736 HydrophobicContact CG2-CD1 4.45Å; F734-L736 HydrophobicContact CD1-CB 4.09Å; F734-L736 HydrophobicContact CD1-CD1 4.27Å; F734-L736 HydrophobicContact CD1-CD2 4.01Å; F734-L736 HydrophobicContact CD1-CG 4.35Å; F734-L736 HydrophobicContact CE1-CB 3.96Å; F734-L736 HydrophobicContact CE1-CD1 4.31Å; F734-L736 WeakPolarHBondContact O-CD2 3.45Å; L736-M740 HydrophobicContact CD1-CB 3.8Å; L736-M740 HydrophobicContact CD1-CG 3.67Å; L736-N741 HydrophobicContact CD2-CB 4.11Å; L736-N741 HydrophobicContact CG-CB 4.27Å
737	E	93.1	Very high	92.4	Very high	22 Å²	22	38.3 Å²	38.3	10%	0.103	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	141.2	179.1	-68.3	177.7	146.9	0	0	111.9	T510 L528 G529 T739 M740 N741 Y764	T510-E737 PolarHBondContact OG1-OE1 2.97Å; L528-E737 HydrophobicContact CD1-CB 4Å; L528-E737 HydrophobicContact CD1-CG 3.79Å; G529-E737 CarbonylContact O-C 3.6Å; G529-E737 WeakPolarHBondContact O-CA 3.23Å; E737-T739 VanDerWaalsContact C-N 3.27Å; E737-T739 PolarHBondContact O-N 3.33Å; E737-M740 PolarHBondContact O-N 2.84Å; E737-N741 PolarHBondContact O-N 3.41Å; E737-N741 VanDerWaalsContact O-N 3.07Å; E737-Y764 VanDerWaalsContact OE2-CE1 3.26Å; E737-Y764 WeakPolarHBondContact OE2-CE1 3.45Å; E737-Y764 VanDerWaalsContact OE2-CZ 3.25Å; E737-Y764 PolarHBondContact OE2-OH 3.09Å
738	S	94.3	Very high	92.1	Very high	4 Å²	4	36.7 Å²	36.7	3%	0.028	18%	0.175	C	C	.	.	H	α-helix	trans	-58.9	-36.2	-171.6	62.3	0	0	0	0	113.6	G529 S531 M740 N741 E742 N758	G529-S738 PolarHBondContact N-OG 2.88Å; G529-S738 WeakPolarHBondContact O-CB 3.13Å; G529-S738 PolarHBondContact O-N 3.48Å; S531-S738 WeakPolarHBondContact OG-CA 3.4Å; S738-M740 VanDerWaalsContact C-N 3.31Å; S738-M740 PolarHBondContact O-N 3.29Å; S738-N741 PolarHBondContact O-N 3.38Å; S738-E742 WeakPolarHBondContact O-CB 3.19Å; S738-E742 WeakPolarHBondContact O-CG 3.49Å; S738-E742 PolarHBondContact O-N 3.08Å; S738-N758 WeakPolarHBondContact CB-OD1 3.27Å
739	T	92.9	Very high	92.1	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.006	19%	0.191	C	C	.	.	H	α-helix	trans	-59.7	-42.1	176.6	48.2	0	0	0	0	111.6	Y435 M526 L528 E737 Y743 Y764 W799	Y435-T739 VanDerWaalsContact OH-CB 3.29Å; Y435-T739 WeakPolarHBondContact OH-CB 3.45Å; Y435-T739 PolarHBondContact OH-OG1 3.48Å; M526-T739 HydrophobicContact CG-CG2 4.1Å; M526-T739 HydrophobicContact SD-CG2 3.49Å; M526-T739 WeakPolarHBondContact SD-CG2 3.49Å; L528-T739 HydrophobicContact CB-CG2 3.8Å; L528-T739 HydrophobicContact CD2-CG2 4.14Å; E737-T739 VanDerWaalsContact C-N 3.27Å; E737-T739 PolarHBondContact O-N 3.33Å; T739-Y743 WeakPolarHBondContact O-CB 3.21Å; T739-Y743 PolarHBondContact O-N 3.46Å; T739-Y743 VanDerWaalsContact O-N 3.1Å; T739-Y764 PolarHBondContact OG1-OH 2.99Å; T739-W799 PolarHBondContact O-NE1 3.06Å
740	M	92.4	Very high	92.2	Very high	16 Å²	16	32.5 Å²	32.5	8%	0.079	17%	0.166	C	C	.	.	H	α-helix	trans	-74.5	-35	177.7	-169.2	57.1	146.9	0	0	111.5	E432 S433 T718 L736 E737 S738 Y743 I744	E432-M740 HydrophobicContact CG-CE 3.84Å; S433-M740 WeakPolarHBondContact O-CE 3.24Å; S433-M740 VanDerWaalsContact O-SD 3.38Å; T718-M740 HydrophobicContact CG2-CE 3.68Å; T718-M740 HydrophobicContact CG2-CG 3.95Å; L736-M740 HydrophobicContact CD1-CB 3.8Å; L736-M740 HydrophobicContact CD1-CG 3.67Å; E737-M740 PolarHBondContact O-N 2.84Å; S738-M740 VanDerWaalsContact C-N 3.31Å; S738-M740 PolarHBondContact O-N 3.29Å; M740-Y743 WeakPolarHBondContact O-CB 3.38Å; M740-Y743 PolarHBondContact O-N 2.98Å; M740-Y743 HydrophobicContact SD-CD1 4.01Å; M740-I744 HydrophobicContact CG-CG1 4.42Å; M740-I744 VanDerWaalsContact O-CG1 3.24Å; M740-I744 WeakPolarHBondContact O-CG1 3.37Å; M740-I744 PolarHBondContact O-N 2.57Å; M740-I744 HydrophobicContact SD-CG1 4.31Å
741	N	93.6	Very high	92.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-63.1	-50.1	175.7	-162.6	-1.4	0	0	0	111.8	S531 I532 M533 L736 E737 S738 Y743 I744 E745	S531-N741 VanDerWaalsContact OG-CB 3.27Å; S531-N741 WeakPolarHBondContact OG-CB 3.19Å; S531-N741 PolarHBondContact OG-ND2 3.44Å; I532-N741 PolarHBondContact O-ND2 2.89Å; I532-N741 VanDerWaalsContact O-ND2 3.07Å; M533-N741 HydrophobicContact CE-CB 4.35Å; M533-N741 VanDerWaalsContact CE-OD1 3.32Å; M533-N741 WeakPolarHBondContact CE-OD1 3.42Å; L736-N741 HydrophobicContact CD2-CB 4.11Å; L736-N741 HydrophobicContact CG-CB 4.27Å; E737-N741 PolarHBondContact O-N 3.41Å; E737-N741 VanDerWaalsContact O-N 3.07Å; S738-N741 PolarHBondContact O-N 3.38Å; N741-Y743 VanDerWaalsContact C-N 3.26Å; N741-Y743 PolarHBondContact O-N 2.97Å; N741-I744 PolarHBondContact O-N 2.6Å; N741-E745 WeakPolarHBondContact O-CB 3.31Å; N741-E745 PolarHBondContact O-N 2.96Å
742	E	91.9	Very high	92.4	Very high	41 Å²	41	27.8 Å²	27.8	19%	0.192	14%	0.14	C	C	.	.	H	α-helix	trans	-59	-37.8	175.4	-73	162.4	-154.4	0	0	111.6	S738 Q746 K754	S738-E742 WeakPolarHBondContact O-CB 3.19Å; S738-E742 WeakPolarHBondContact O-CG 3.49Å; S738-E742 PolarHBondContact O-N 3.08Å; E742-Q746 WeakPolarHBondContact O-CG 3.29Å; E742-Q746 PolarHBondContact O-N 3.14Å; E742-K754 HydrophobicContact CG-CD 4.41Å; E742-K754 IonicContact OE1-NZ 2.62Å; E742-K754 PolarHBondContact OE1-NZ 3.49Å
743	Y	92.9	Very high	92.2	Very high	11 Å²	11	30.3 Å²	30.3	4%	0.043	15%	0.153	C	C	.	.	H	α-helix	trans	-63.9	-49.8	175.7	179	-110.7	0	0	0	112.9	P434 T739 M740 N741 E745 Q746 R747	P434-Y743 HydrophobicContact CB-CD2 4.01Å; P434-Y743 HydrophobicContact CB-CE2 3.39Å; P434-Y743 HydrophobicContact CG-CD2 3.49Å; P434-Y743 VanDerWaalsContact CG-CD2 3.49Å; P434-Y743 HydrophobicContact CG-CE2 3.45Å; P434-Y743 VanDerWaalsContact CG-CE2 3.45Å; P434-Y743 HydrophobicContact CG-CG 4.04Å; T739-Y743 WeakPolarHBondContact O-CB 3.21Å; T739-Y743 PolarHBondContact O-N 3.46Å; T739-Y743 VanDerWaalsContact O-N 3.1Å; M740-Y743 WeakPolarHBondContact O-CB 3.38Å; M740-Y743 PolarHBondContact O-N 2.98Å; M740-Y743 HydrophobicContact SD-CD1 4.01Å; N741-Y743 VanDerWaalsContact C-N 3.26Å; N741-Y743 PolarHBondContact O-N 2.97Å; Y743-E745 VanDerWaalsContact C-N 3.31Å; Y743-E745 PolarHBondContact O-N 3Å; Y743-Q746 PolarHBondContact O-N 3.04Å; Y743-Q746 VanDerWaalsContact O-N 3.15Å; Y743-R747 HydrophobicContact CE1-CG 4.28Å; Y743-R747 VanDerWaalsContact CZ-NH2 3.34Å; Y743-R747 WeakPolarHBondContact O-CG 3.22Å; Y743-R747 VanDerWaalsContact OH-CZ 3.27Å; Y743-R747 PolarHBondContact OH-NE 3.48Å; Y743-R747 PolarHBondContact OH-NH2 3.4Å
744	I	93.1	Very high	92	Very high	22 Å²	22	32.8 Å²	32.8	11%	0.113	16%	0.163	C	C	.	.	H	α-helix	trans	-69.3	-32.1	-176.1	-64.9	-65.5	0	0	0	111.3	M533 V722 M740 N741 Q746 R747 T752	M533-I744 HydrophobicContact CE-CB 3.67Å; M533-I744 HydrophobicContact CE-CG1 4.17Å; M533-I744 HydrophobicContact CE-CG2 3.7Å; M533-I744 HydrophobicContact SD-CG2 4.34Å; V722-I744 HydrophobicContact CG1-CG2 3.73Å; V722-I744 HydrophobicContact CG2-CD1 4.43Å; V722-I744 HydrophobicContact CG2-CG1 4.2Å; V722-I744 HydrophobicContact CG2-CG2 4.21Å; M740-I744 HydrophobicContact CG-CG1 4.42Å; M740-I744 VanDerWaalsContact O-CG1 3.24Å; M740-I744 WeakPolarHBondContact O-CG1 3.37Å; M740-I744 PolarHBondContact O-N 2.57Å; M740-I744 HydrophobicContact SD-CG1 4.31Å; N741-I744 PolarHBondContact O-N 2.6Å; I744-Q746 PolarHBondContact O-N 3.1Å; I744-R747 PolarHBondContact O-N 3.24Å; I744-R747 VanDerWaalsContact O-N 3.09Å; I744-T752 HydrophobicContact CG2-CG2 4.1Å
745	E	91.4	Very high	91.7	Very high	58 Å²	58	33.1 Å²	33.1	27%	0.271	17%	0.165	S	C	.	.	H	α-helix	trans	-58.4	-34	171.6	-178.1	170.2	-168.7	0	0	112.6	N741 Y743 R747 T752	N741-E745 WeakPolarHBondContact O-CB 3.31Å; N741-E745 PolarHBondContact O-N 2.96Å; Y743-E745 VanDerWaalsContact C-N 3.31Å; Y743-E745 PolarHBondContact O-N 3Å; E745-R747 VanDerWaalsContact C-N 3.27Å; E745-R747 PolarHBondContact O-N 3.46Å; E745-T752 WeakPolarHBondContact CA-OG1 3.31Å
746	Q	89.6	Confident	91.4	Very high	53 Å²	53	34.9 Å²	34.9	25%	0.248	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	4.8	177.6	-64.1	-62.1	-33.9	0	0	114.1	E742 Y743 I744 E804 C805	E742-Q746 WeakPolarHBondContact O-CG 3.29Å; E742-Q746 PolarHBondContact O-N 3.14Å; Y743-Q746 PolarHBondContact O-N 3.04Å; Y743-Q746 VanDerWaalsContact O-N 3.15Å; I744-Q746 PolarHBondContact O-N 3.1Å; Q746-E804 PolarHBondContact O-N 3.13Å; Q746-C805 PolarHBondContact O-N 3Å; Q746-C805 VanDerWaalsContact O-N 3.14Å; Q746-C805 PolarHBondContact OE1-O 2.88Å
747	R	90.1	Very high	91.2	Very high	37 Å²	37	37.2 Å²	37.2	14%	0.14	21%	0.21	C	C	.	.	S	Bend	trans	-108.7	143.5	-178	-66.2	-65.7	179.4	-160	-10.2	112.7	Y743 I744 E745 C750 K802 E804 C805	Y743-R747 HydrophobicContact CE1-CG 4.28Å; Y743-R747 VanDerWaalsContact CZ-NH2 3.34Å; Y743-R747 WeakPolarHBondContact O-CG 3.22Å; Y743-R747 VanDerWaalsContact OH-CZ 3.27Å; Y743-R747 PolarHBondContact OH-NE 3.48Å; Y743-R747 PolarHBondContact OH-NH2 3.4Å; I744-R747 PolarHBondContact O-N 3.24Å; I744-R747 VanDerWaalsContact O-N 3.09Å; E745-R747 VanDerWaalsContact C-N 3.27Å; E745-R747 PolarHBondContact O-N 3.46Å; R747-C750 WeakPolarHBondContact O-CA 3.43Å; R747-C750 PolarHBondContact O-N 2.86Å; R747-K802 PolarHBondContact NH1-O 2.79Å; R747-E804 IonicContact CZ-OE1 2.64Å; R747-E804 IonicContact NE-OE1 2.97Å; R747-E804 IonicContact NH1-OE1 3.66Å; R747-E804 PolarHBondContact NH1-OE1 2.86Å; R747-C805 PolarHBondContact N-SG 2.85Å; R747-C805 PolarHBondContact O-SG 2.89Å
748	K	87.8	Confident	91.2	Very high	142 Å²	142	39.4 Å²	39.4	62%	0.617	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.6	141.5	175.5	-73.8	176.5	179.3	-178.5	0	110.7	E804	K748-E804 HydrophobicContact CD-CB 4.36Å; K748-E804 HydrophobicContact CG-CB 3.97Å; K748-E804 PolarHBondContact N-OE2 3.32Å
749	P	90.9	Very high	91.1	Very high	88 Å²	88	40.7 Å²	40.7	57%	0.571	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	cis	-90.9	24.9	5.7	37.2	-35	0	0	0	115	D751	P749-D751 VanDerWaalsContact C-N 3.26Å; P749-D751 HydrophobicContact CG-CB 4.12Å; P749-D751 PolarHBondContact O-N 3.05Å
750	C	89.4	Confident	91	Very high	43 Å²	43	42.2 Å²	42.2	29%	0.291	24%	0.237	S	C	.	.			trans	61.1	33	177.2	-36.6	0	0	0	0	113.5	K536 R747 C805	K536-C750 WeakPolarHBondContact CD-O 3.4Å; R747-C750 WeakPolarHBondContact O-CA 3.43Å; R747-C750 PolarHBondContact O-N 2.86Å; C750-C805 WeakPolarHBondContact CA-SG 3.33Å; C750-C805 HydrophobicContact CB-CB 3.85Å; C750-C805 WeakPolarHBondContact CB-SG 3.25Å; C750-C805 WeakPolarHBondContact SG-CA 3.28Å; C750-C805 WeakPolarHBondContact SG-CB 3.36Å; C750-C805 CovalentContact SG-SG 2.01Å; C750-C805 PolarHBondContact SG-SG 2.94Å
751	D	90.6	Very high	90.8	Very high	27 Å²	27	47 Å²	47	14%	0.144	27%	0.272	C	S	.	.			trans	-103.5	12.3	-171.3	75.7	-33.3	0	0	0	113.8	K535 K536 R726 P749	K535-D751 CarbonylContact C-O 3.55Å; K535-D751 WeakPolarHBondContact CA-O 3.37Å; K535-D751 WeakPolarHBondContact CG-O 3.38Å; K535-D751 IonicContact NZ-OD2 3.61Å; K535-D751 PolarHBondContact NZ-OD2 2.95Å; K536-D751 PolarHBondContact N-O 3.41Å; R726-D751 WeakPolarHBondContact CD-OD1 3.49Å; R726-D751 WeakPolarHBondContact CG-OD2 3.32Å; R726-D751 IonicContact CZ-OD1 2.72Å; R726-D751 IonicContact NE-OD1 3.18Å; R726-D751 PolarHBondContact NE-OD1 3.38Å; R726-D751 IonicContact NE-OD2 3.84Å; R726-D751 IonicContact NH2-OD1 3.74Å; P749-D751 VanDerWaalsContact C-N 3.26Å; P749-D751 HydrophobicContact CG-CB 4.12Å; P749-D751 PolarHBondContact O-N 3.05Å
752	T	91.8	Very high	90.7	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.006	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	156	173.8	55.9	0	0	0	0	110.2	M533 I534 R726 I744 E745	M533-T752 HydrophobicContact CG-CG2 4.24Å; M533-T752 HydrophobicContact SD-CG2 3.9Å; I534-T752 CarbonylContact O-C 3.51Å; I534-T752 WeakPolarHBondContact O-CA 3.4Å; R726-T752 HydrophobicContact CG-CG2 4.34Å; I744-T752 HydrophobicContact CG2-CG2 4.1Å; E745-T752 WeakPolarHBondContact CA-OG1 3.31Å
753	M	89.8	Confident	90.8	Very high	57 Å²	57	47 Å²	47	28%	0.281	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	136.9	179.9	-177.4	176.1	-163.8	0	0	109.7	I534 K536 V755	I534-M753 HydrophobicContact CG1-CB 4.38Å; I534-M753 PolarHBondContact N-O 2.87Å; I534-M753 PolarHBondContact O-N 2.97Å; K536-M753 HydrophobicContact CB-CB 4.19Å; K536-M753 HydrophobicContact CG-CB 4.38Å; M753-V755 HydrophobicContact CG-CG1 4.49Å
754	K	91.4	Very high	90.9	Very high	51 Å²	51	46.5 Å²	46.5	22%	0.222	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	131.4	167.3	-179.5	179.4	-179.4	-172.8	0	109.5	I532 E742 N758	I532-K754 WeakPolarHBondContact O-CA 3.45Å; E742-K754 HydrophobicContact CG-CD 4.41Å; E742-K754 IonicContact OE1-NZ 2.62Å; E742-K754 PolarHBondContact OE1-NZ 3.49Å; K754-N758 PolarHBondContact NZ-OD1 3.45Å
755	V	90.2	Very high	91.1	Very high	9 Å²	9	45.5 Å²	45.5	6%	0.055	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	143.4	173.7	-66.1	0	0	0	0	111.3	I532 I534 I665 M753	I532-V755 HydrophobicContact CB-CG2 3.72Å; I532-V755 HydrophobicContact CG2-CG2 3.6Å; I532-V755 PolarHBondContact O-N 3.3Å; I532-V755 VanDerWaalsContact O-N 3.13Å; I534-V755 HydrophobicContact CD1-CG1 3.45Å; I534-V755 VanDerWaalsContact CD1-CG1 3.45Å; I534-V755 HydrophobicContact CD1-CG2 4.36Å; I534-V755 HydrophobicContact CG1-CG1 3.77Å; I534-V755 HydrophobicContact CG1-CG2 4.32Å; I534-V755 HydrophobicContact CG2-CG2 4.19Å; I665-V755 HydrophobicContact CG2-CG2 4.5Å; M753-V755 HydrophobicContact CG-CG1 4.49Å
756	G	88.4	Confident	91.3	Very high	40 Å²	40	42.8 Å²	42.8	41%	0.412	25%	0.254	S	S	.	.	S	Bend	trans	69.6	179	-178.4	0	0	0	0	0	114.7	E666	E666-G756 WeakPolarHBondContact O-CA 3.49Å; E666-G756 PolarHBondContact O-N 2.79Å
757	G	90.4	Very high	91.6	Very high	58 Å²	58	40.2 Å²	40.2	60%	0.598	24%	0.243	S	C	*	.			trans	-76.6	176	169.6	0	0	0	0	0	112.5
758	N	92.6	Very high	91.9	Very high	68 Å²	68	38.6 Å²	38.6	36%	0.364	24%	0.237	S	C	.	.			trans	-71.7	138.8	170.5	-66.1	-8.1	0	0	0	109.8	G529 I530 S738 K754 D760	G529-N758 PolarHBondContact N-ND2 3.04Å; I530-N758 CarbonylContact O-C 3.21Å; I530-N758 WeakPolarHBondContact O-CA 3.25Å; S738-N758 WeakPolarHBondContact CB-OD1 3.27Å; K754-N758 PolarHBondContact NZ-OD1 3.45Å; N758-D760 VanDerWaalsContact C-N 3.29Å; N758-D760 PolarHBondContact O-N 3.47Å
759	L	91.3	Very high	92.2	Very high	32 Å²	32	33.2 Å²	33.2	17%	0.168	22%	0.217	C	C	.	.	S	Bend	trans	-76.8	-18.8	-177.6	-65.2	156.3	0	0	0	113.1	I530 I532 A668 Y699	I530-L759 HydrophobicContact CB-CB 4.21Å; I530-L759 HydrophobicContact CB-CD1 4.05Å; I530-L759 HydrophobicContact CG2-CD1 3.74Å; I530-L759 PolarHBondContact O-N 2.98Å; I532-L759 HydrophobicContact CG1-CD1 4.47Å; A668-L759 HydrophobicContact CB-CD2 3.38Å; Y699-L759 HydrophobicContact CE1-CD2 3.81Å; Y699-L759 VanDerWaalsContact OH-CD2 3.26Å; Y699-L759 WeakPolarHBondContact OH-CD2 3.16Å; Y699-L759 PolarHBondContact OH-O 3.31Å
760	D	90.8	Very high	92	Very high	32 Å²	32	35.4 Å²	35.4	17%	0.171	22%	0.217	C	C	.	.	S	Bend	trans	-152.5	176.8	178.2	59.4	13.6	0	0	0	111.6	G529 I530 F690 N758 K762	G529-D760 WeakPolarHBondContact CA-O 3.49Å; G529-D760 VanDerWaalsContact CA-OD1 3.25Å; G529-D760 WeakPolarHBondContact CA-OD1 3.31Å; I530-D760 WeakPolarHBondContact CD1-OD2 3.49Å; I530-D760 WeakPolarHBondContact CG1-OD2 3.43Å; I530-D760 PolarHBondContact N-OD1 3.38Å; F690-D760 HydrophobicContact CE2-CB 4.37Å; F690-D760 HydrophobicContact CZ-CB 4.36Å; N758-D760 VanDerWaalsContact C-N 3.29Å; N758-D760 PolarHBondContact O-N 3.47Å; D760-K762 WeakPolarHBondContact OD1-CE 3.27Å; D760-K762 WeakPolarHBondContact OD2-CE 3.46Å; D760-K762 IonicContact OD2-NZ 3.87Å; D760-K762 PolarHBondContact OD2-NZ 3.05Å
761	S	89.8	Confident	91.8	Very high	116 Å²	116	36.6 Å²	36.6	81%	0.811	24%	0.237	S	C	*	.			trans	-118.3	113.7	174.1	-170.5	0	0	0	0	109.4
762	K	90.9	Very high	91.6	Very high	33 Å²	33	36.9 Å²	36.9	14%	0.143	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	174.2	176.7	-53.3	-170.7	-161.7	176.8	0	110.1	T510 S527 L528 D760	T510-K762 HydrophobicContact CG2-CB 4Å; T510-K762 HydrophobicContact CG2-CD 3.43Å; T510-K762 VanDerWaalsContact CG2-CD 3.43Å; T510-K762 HydrophobicContact CG2-CG 4.3Å; S527-K762 WeakPolarHBondContact CA-O 3.15Å; L528-K762 HydrophobicContact CD1-CB 3.92Å; L528-K762 HydrophobicContact CG-CB 4.49Å; L528-K762 PolarHBondContact N-O 3.27Å; L528-K762 CarbonylContact O-C 3.56Å; L528-K762 WeakPolarHBondContact O-CA 3.24Å; L528-K762 PolarHBondContact O-N 3.06Å; D760-K762 WeakPolarHBondContact OD1-CE 3.27Å; D760-K762 WeakPolarHBondContact OD2-CE 3.46Å; D760-K762 IonicContact OD2-NZ 3.87Å; D760-K762 PolarHBondContact OD2-NZ 3.05Å
763	G	93.8	Very high	91.3	Very high	9 Å²	9	41.5 Å²	41.5	9%	0.093	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	155.1	168.6	0	0	0	0	0	112.4	I511 M526	I511-G763 PolarHBondContact N-O 3.13Å; I511-G763 VanDerWaalsContact N-O 3.1Å; M526-G763 CarbonylContact O-C 3.55Å; M526-G763 WeakPolarHBondContact O-CA 3.4Å
764	Y	95.8	Very high	91.2	Very high	1 Å²	1	40.4 Å²	40.4	0%	0.004	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	136.1	164.6	-61.9	-39	0	0	0	110	Y435 P508 P524 F525 M526 L528 E737 T739	Y435-Y764 HydrophobicContact CE1-CD2 4.41Å; Y435-Y764 AromaticContact CE1-CE2 3.87Å; Y435-Y764 HydrophobicContact CE1-CE2 3.87Å; Y435-Y764 AromaticContact CZ-CE2 3.83Å; Y435-Y764 WeakPolarHBondContact OH-CE2 3.41Å; Y435-Y764 PolarHBondContact OH-OH 2.71Å; P508-Y764 VanDerWaalsContact C-CD1 3.43Å; P508-Y764 HydrophobicContact CB-CD1 4.28Å; P508-Y764 HydrophobicContact CB-CD2 4.03Å; P508-Y764 HydrophobicContact CB-CE1 3.86Å; P508-Y764 HydrophobicContact CB-CE2 3.57Å; P508-Y764 HydrophobicContact CB-CG 4.36Å; P508-Y764 VanDerWaalsContact CB-CZ 3.48Å; P508-Y764 WeakPolarHBondContact O-CE1 3.2Å; P524-Y764 CarbonylContact C-O 3.59Å; P524-Y764 WeakPolarHBondContact CA-O 3.4Å; F525-Y764 WeakPolarHBondContact CD1-O 3.41Å; F525-Y764 HydrophobicContact CE2-CD2 4.33Å; F525-Y764 HydrophobicContact CZ-CD2 4.21Å; F525-Y764 HydrophobicContact CZ-CG 4.23Å; F525-Y764 PolarHBondContact N-O 2.85Å; M526-Y764 HydrophobicContact CB-CD2 4.38Å; M526-Y764 PolarHBondContact O-N 3.43Å; M526-Y764 HydrophobicContact SD-CD2 4.4Å; L528-Y764 HydrophobicContact CD2-CD1 3.62Å; L528-Y764 HydrophobicContact CD2-CD2 3.48Å; L528-Y764 VanDerWaalsContact CD2-CD2 3.48Å; L528-Y764 HydrophobicContact CD2-CE1 3.4Å; L528-Y764 HydrophobicContact CD2-CE2 3.24Å; L528-Y764 HydrophobicContact CD2-CG 3.66Å; E737-Y764 VanDerWaalsContact OE2-CE1 3.26Å; E737-Y764 WeakPolarHBondContact OE2-CE1 3.45Å; E737-Y764 VanDerWaalsContact OE2-CZ 3.25Å; E737-Y764 PolarHBondContact OE2-OH 3.09Å; T739-Y764 PolarHBondContact OG1-OH 2.99Å
765	G	95.6	Very high	91.1	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	28%	0.281	C	S	.	.			trans	-127.6	150.6	174.4	0	0	0	0	0	110.6	L509	L509-G765 PolarHBondContact O-N 2.99Å
766	V	96.8	Very high	91.1	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.006	31%	0.307	C	S	.	.			trans	-72.9	128.4	167.8	-176.8	0	0	0	0	107.9	I462 I504 A505 V506 S522 F525 V778 V782	I462-V766 HydrophobicContact CD1-CG2 3.88Å; I504-V766 HydrophobicContact CD1-CG1 3.62Å; I504-V766 HydrophobicContact CG1-CG1 3.63Å; A505-V766 WeakPolarHBondContact O-CG1 3.39Å; V506-V766 HydrophobicContact CG2-CG1 3.89Å; S522-V766 PolarHBondContact N-O 2.96Å; S522-V766 WeakPolarHBondContact OG-CA 3.39Å; S522-V766 VanDerWaalsContact OG-CB 3.32Å; S522-V766 WeakPolarHBondContact OG-CB 3.37Å; S522-V766 PolarHBondContact OG-N 3.44Å; S522-V766 PolarHBondContact OG-O 3.3Å; F525-V766 HydrophobicContact CD1-CG2 4.08Å; F525-V766 HydrophobicContact CE1-CG2 4.31Å; V766-V778 HydrophobicContact CB-CG1 4.02Å; V766-V778 HydrophobicContact CG1-CG1 3.79Å; V766-V782 HydrophobicContact CG2-CG2 4.21Å
767	A	96.8	Very high	91.2	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	145.2	-177.8	0	0	0	0	0	112.2	L497 I504 A505 L509 I519 D520 F521	L497-A767 HydrophobicContact CD1-CB 3.63Å; I504-A767 WeakPolarHBondContact CA-O 3.22Å; I504-A767 WeakPolarHBondContact CG1-O 3.31Å; A505-A767 HydrophobicContact CB-CB 4.27Å; A505-A767 PolarHBondContact N-O 3.32Å; A505-A767 PolarHBondContact O-N 2.86Å; A505-A767 VanDerWaalsContact O-N 3.12Å; L509-A767 HydrophobicContact CD2-CB 3.82Å; I519-A767 HydrophobicContact CD1-CB 3.94Å; D520-A767 CarbonylContact O-C 3.52Å; D520-A767 WeakPolarHBondContact O-CA 3.27Å; F521-A767 HydrophobicContact CD1-CB 3.91Å; F521-A767 HydrophobicContact CE1-CB 3.73Å; F521-A767 HydrophobicContact CZ-CB 4.28Å
768	T	95.6	Very high	91.4	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.012	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	154.2	177.3	53.3	0	0	0	0	110.2	I504 D520	I504-T768 HydrophobicContact CD1-CG2 4.42Å; I504-T768 HydrophobicContact CG1-CG2 4.05Å; D520-T768 PolarHBondContact N-O 3.33Å; D520-T768 PolarHBondContact O-N 2.87Å; D520-T768 PolarHBondContact O-OG1 3.28Å
769	P	93.2	Very high	91.4	Very high	30 Å²	30	43.3 Å²	43.3	20%	0.195	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.2	143.4	169.3	-23.2	34.3	0	0	0	110.4	L497 D503 G771 S772	L497-P769 HydrophobicContact CB-CG 4.36Å; L497-P769 HydrophobicContact CD2-CG 4.27Å; D503-P769 WeakPolarHBondContact O-CD 3.4Å; P769-G771 PolarHBondContact O-N 2.81Å; P769-S772 WeakPolarHBondContact O-CB 3.38Å; P769-S772 PolarHBondContact O-N 2.78Å
770	K	88	Confident	91.6	Very high	133 Å²	133	47.4 Å²	47.4	58%	0.578	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	128	-176.3	-163.7	171.3	-170.4	174.2	0	110.9	E517 S772	E517-K770 PolarHBondContact O-NZ 2.76Å; K770-S772 VanDerWaalsContact C-N 3.31Å; K770-S772 PolarHBondContact O-N 3.35Å
771	G	83.9	Confident	91.7	Very high	69 Å²	69	46.2 Å²	46.2	71%	0.711	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.1	14	-177.7	0	0	0	0	0	115.4	D520 P769	D520-G771 PolarHBondContact OD2-N 3.03Å; P769-G771 PolarHBondContact O-N 2.81Å
772	S	86.4	Confident	92	Very high	32 Å²	32	40.8 Å²	40.8	22%	0.224	25%	0.245	C	C	.	.			trans	-64.6	137.3	175.6	178.4	0	0	0	0	112.3	P769 K770 L774 R775	P769-S772 WeakPolarHBondContact O-CB 3.38Å; P769-S772 PolarHBondContact O-N 2.78Å; K770-S772 VanDerWaalsContact C-N 3.31Å; K770-S772 PolarHBondContact O-N 3.35Å; S772-L774 PolarHBondContact O-N 3.33Å; S772-L774 PolarHBondContact OG-N 2.88Å; S772-R775 WeakPolarHBondContact O-CB 3.32Å; S772-R775 PolarHBondContact O-N 3.07Å
773	A	86.6	Confident	92.1	Very high	99 Å²	99	42.2 Å²	42.2	82%	0.818	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-24.3	174.6	0	0	0	0	0	113	R775	A773-R775 VanDerWaalsContact C-N 3.28Å; A773-R775 PolarHBondContact O-N 2.81Å
774	L	87.5	Confident	92.2	Very high	33 Å²	33	46.5 Å²	46.5	17%	0.173	27%	0.27	C	S	.	.	H	α-helix	trans	-71	-23.4	179.5	-66.5	174.6	0	0	0	112.9	I425 S772 N776 A777 V778	I425-L774 HydrophobicContact CD1-CD1 4.24Å; I425-L774 HydrophobicContact CG2-CD1 4.3Å; S772-L774 PolarHBondContact O-N 3.33Å; S772-L774 PolarHBondContact OG-N 2.88Å; L774-N776 PolarHBondContact O-N 2.63Å; L774-A777 PolarHBondContact O-N 2.75Å; L774-V778 HydrophobicContact CB-CG2 4.41Å; L774-V778 WeakPolarHBondContact O-CB 3.49Å; L774-V778 VanDerWaalsContact O-CG2 3.25Å; L774-V778 WeakPolarHBondContact O-CG2 3.24Å; L774-V778 PolarHBondContact O-N 2.95Å
775	R	89.4	Confident	92.1	Very high	99 Å²	99	46.4 Å²	46.4	37%	0.374	27%	0.27	S	S	.	.	H	α-helix	trans	-53.3	-51.1	-173	178.9	-167.8	165.6	174	-7.8	112.1	D520 S772 A773 V778 N779	D520-R775 HydrophobicContact CB-CG 4.35Å; D520-R775 VanDerWaalsContact CG-NH1 3.26Å; D520-R775 IonicContact OD1-NH1 3.91Å; D520-R775 PolarHBondContact OD1-NH1 2.82Å; D520-R775 WeakPolarHBondContact OD2-CD 3.4Å; D520-R775 IonicContact OD2-CZ 3.8Å; D520-R775 IonicContact OD2-NH1 3.99Å; D520-R775 PolarHBondContact OD2-NH1 3.43Å; S772-R775 WeakPolarHBondContact O-CB 3.32Å; S772-R775 PolarHBondContact O-N 3.07Å; A773-R775 VanDerWaalsContact C-N 3.28Å; A773-R775 PolarHBondContact O-N 2.81Å; R775-V778 PolarHBondContact O-N 2.85Å; R775-N779 WeakPolarHBondContact O-CB 3.33Å; R775-N779 PolarHBondContact O-N 3.42Å
776	N	89.6	Confident	92	Very high	111 Å²	111	50.4 Å²	50.4	59%	0.594	29%	0.291	S	S	*	.	H	α-helix	trans	-67.5	-43.4	-175.2	-70.6	-15	0	0	0	111.6	L774 N779 L780	L774-N776 PolarHBondContact O-N 2.63Å; N776-N779 PolarHBondContact O-N 3.28Å; N776-L780 WeakPolarHBondContact O-CG 3.5Å; N776-L780 PolarHBondContact O-N 2.92Å
777	A	91.3	Very high	91.9	Very high	40 Å²	40	58.2 Å²	58.2	33%	0.331	33%	0.327	S	S	.	.	H	α-helix	trans	-63.5	-44	178.3	0	0	0	0	0	111.9	V466 L774 L780 A781	V466-A777 HydrophobicContact CG1-CB 4Å; V466-A777 HydrophobicContact CG2-CB 4.24Å; L774-A777 PolarHBondContact O-N 2.75Å; A777-L780 PolarHBondContact O-N 3.46Å; A777-A781 WeakPolarHBondContact O-CB 3.34Å; A777-A781 PolarHBondContact O-N 3.39Å
778	V	93.4	Very high	91.8	Very high	1 Å²	1	63.8 Å²	63.8	1%	0.006	35%	0.353	C	S	.	.	H	α-helix	trans	-65	-43.3	176.2	172	0	0	0	0	110.9	I462 I504 V766 L774 R775 L780 A781 V782	I462-V778 HydrophobicContact CG2-CG1 4.42Å; I462-V778 HydrophobicContact CG2-CG2 4.2Å; I504-V778 HydrophobicContact CD1-CG1 4.23Å; I504-V778 HydrophobicContact CD1-CG2 3.69Å; V766-V778 HydrophobicContact CB-CG1 4.02Å; V766-V778 HydrophobicContact CG1-CG1 3.79Å; L774-V778 HydrophobicContact CB-CG2 4.41Å; L774-V778 WeakPolarHBondContact O-CB 3.49Å; L774-V778 VanDerWaalsContact O-CG2 3.25Å; L774-V778 WeakPolarHBondContact O-CG2 3.24Å; L774-V778 PolarHBondContact O-N 2.95Å; R775-V778 PolarHBondContact O-N 2.85Å; V778-L780 PolarHBondContact O-N 3.3Å; V778-A781 WeakPolarHBondContact O-CB 3.3Å; V778-A781 PolarHBondContact O-N 3.45Å; V778-V782 HydrophobicContact CG1-CG2 4.37Å; V778-V782 WeakPolarHBondContact O-CG2 3.48Å; V778-V782 PolarHBondContact O-N 3.03Å
779	N	94.1	Very high	91.6	Very high	37 Å²	37	65 Å²	65	20%	0.198	37%	0.366	C	S	.	.	H	α-helix	trans	-61.3	-43.7	179	-172	60.3	0	0	0	112.1	K523 R775 N776 V782 L783	K523-N779 WeakPolarHBondContact CG-OD1 3.5Å; K523-N779 PolarHBondContact N-OD1 3.43Å; R775-N779 WeakPolarHBondContact O-CB 3.33Å; R775-N779 PolarHBondContact O-N 3.42Å; N776-N779 PolarHBondContact O-N 3.28Å; N779-V782 PolarHBondContact O-N 3.4Å; N779-L783 WeakPolarHBondContact O-CG 3.21Å; N779-L783 PolarHBondContact O-N 3.27Å; N779-L783 VanDerWaalsContact O-N 3.11Å
780	L	93.6	Very high	91.7	Very high	118 Å²	118	65.3 Å²	65.3	62%	0.618	37%	0.366	S	S	*	.	H	α-helix	trans	-65.6	-39	174.3	-69.9	172.9	0	0	0	112.1	N776 A777 V778 L783 K784	N776-L780 WeakPolarHBondContact O-CG 3.5Å; N776-L780 PolarHBondContact O-N 2.92Å; A777-L780 PolarHBondContact O-N 3.46Å; V778-L780 PolarHBondContact O-N 3.3Å; L780-L783 PolarHBondContact O-N 3.41Å; L780-K784 WeakPolarHBondContact O-CB 3.39Å; L780-K784 PolarHBondContact O-N 3.02Å
781	A	94.2	Very high	92	Very high	6 Å²	6	59.1 Å²	59.1	5%	0.05	34%	0.339	C	S	.	.	H	α-helix	trans	-60.9	-48.9	175.2	0	0	0	0	0	111.2	H465 V466 A777 V778 L783 K784 L785	H465-A781 HydrophobicContact CB-CB 3.94Å; V466-A781 HydrophobicContact CG2-CB 4.13Å; A777-A781 WeakPolarHBondContact O-CB 3.34Å; A777-A781 PolarHBondContact O-N 3.39Å; V778-A781 WeakPolarHBondContact O-CB 3.3Å; V778-A781 PolarHBondContact O-N 3.45Å; A781-L783 VanDerWaalsContact C-N 3.34Å; A781-L783 PolarHBondContact O-N 3.49Å; A781-K784 PolarHBondContact O-N 3.2Å; A781-L785 VanDerWaalsContact O-CG 3.29Å; A781-L785 WeakPolarHBondContact O-CG 3.33Å; A781-L785 PolarHBondContact O-N 3.38Å
782	V	94.9	Very high	92.4	Very high	3 Å²	3	60.3 Å²	60.3	2%	0.018	33%	0.329	C	S	.	.	H	α-helix	trans	-59.2	-43.7	178.7	171.9	0	0	0	0	111.7	I462 F525 V766 V778 N779 K784 L785 N786	I462-V782 HydrophobicContact CD1-CG2 4.2Å; F525-V782 HydrophobicContact CB-CG1 3.84Å; V766-V782 HydrophobicContact CG2-CG2 4.21Å; V778-V782 HydrophobicContact CG1-CG2 4.37Å; V778-V782 WeakPolarHBondContact O-CG2 3.48Å; V778-V782 PolarHBondContact O-N 3.03Å; N779-V782 PolarHBondContact O-N 3.4Å; V782-K784 PolarHBondContact O-N 3.46Å; V782-L785 PolarHBondContact O-N 3.4Å; V782-N786 PolarHBondContact O-N 3.14Å
783	L	94.3	Very high	92.8	Very high	63 Å²	63	65.8 Å²	65.8	33%	0.33	35%	0.349	S	S	.	.	H	α-helix	trans	-61.1	-44.6	176.3	-72.4	172.6	0	0	0	111.9	K523 N779 L780 A781 L785 N786 E787	K523-L783 HydrophobicContact CB-CD2 4.18Å; K523-L783 HydrophobicContact CG-CD2 4.16Å; N779-L783 WeakPolarHBondContact O-CG 3.21Å; N779-L783 PolarHBondContact O-N 3.27Å; N779-L783 VanDerWaalsContact O-N 3.11Å; L780-L783 PolarHBondContact O-N 3.41Å; A781-L783 VanDerWaalsContact C-N 3.34Å; A781-L783 PolarHBondContact O-N 3.49Å; L783-L785 PolarHBondContact O-N 2.95Å; L783-N786 WeakPolarHBondContact O-CB 3.41Å; L783-N786 PolarHBondContact O-N 3.32Å; L783-N786 VanDerWaalsContact O-N 3.14Å; L783-E787 WeakPolarHBondContact O-CG 3.23Å; L783-E787 PolarHBondContact O-N 2.69Å
784	K	94.4	Very high	93.2	Very high	98 Å²	98	61.9 Å²	61.9	43%	0.426	31%	0.314	S	S	.	.	H	α-helix	trans	-63.6	-39.7	177.6	-172	168.8	-175.7	170.5	0	112.6	L780 A781 V782 N786 E787 Q788	L780-K784 WeakPolarHBondContact O-CB 3.39Å; L780-K784 PolarHBondContact O-N 3.02Å; A781-K784 PolarHBondContact O-N 3.2Å; V782-K784 PolarHBondContact O-N 3.46Å; K784-N786 VanDerWaalsContact C-N 3.25Å; K784-N786 PolarHBondContact O-N 3.3Å; K784-E787 PolarHBondContact O-N 2.94Å; K784-Q788 WeakPolarHBondContact O-CB 3.38Å; K784-Q788 VanDerWaalsContact O-CG 3.25Å; K784-Q788 WeakPolarHBondContact O-CG 3.26Å; K784-Q788 PolarHBondContact O-N 2.89Å
785	L	94.9	Very high	93.5	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-63.9	-33.7	175.1	-67	-175.9	0	0	0	112	L458 E461 I462 A781 V782 L783 L790 L791	L458-L785 HydrophobicContact CD1-CD1 3.88Å; E461-L785 HydrophobicContact CB-CD1 3.98Å; E461-L785 HydrophobicContact CB-CD2 4.2Å; I462-L785 HydrophobicContact CG1-CD1 4.21Å; A781-L785 VanDerWaalsContact O-CG 3.29Å; A781-L785 WeakPolarHBondContact O-CG 3.33Å; A781-L785 PolarHBondContact O-N 3.38Å; V782-L785 PolarHBondContact O-N 3.4Å; L783-L785 PolarHBondContact O-N 2.95Å; L785-L790 HydrophobicContact CD2-CB 4.44Å; L785-L790 HydrophobicContact CD2-CD2 3.6Å; L785-L790 PolarHBondContact O-N 2.8Å; L785-L791 HydrophobicContact CB-CD2 4.05Å; L785-L791 HydrophobicContact CB-CG 4.03Å; L785-L791 HydrophobicContact CD1-CD2 4.46Å; L785-L791 PolarHBondContact O-N 3.04Å
786	N	93.4	Very high	93.7	Very high	84 Å²	84	61.5 Å²	61.5	45%	0.449	32%	0.318	S	S	.	.	H	α-helix	trans	-71	-49.1	175.1	-164.7	37.1	0	0	0	111.6	V782 L783 K784 Q788 G789 L791	V782-N786 PolarHBondContact O-N 3.14Å; L783-N786 WeakPolarHBondContact O-CB 3.41Å; L783-N786 PolarHBondContact O-N 3.32Å; L783-N786 VanDerWaalsContact O-N 3.14Å; K784-N786 VanDerWaalsContact C-N 3.25Å; K784-N786 PolarHBondContact O-N 3.3Å; N786-Q788 PolarHBondContact O-N 2.94Å; N786-G789 PolarHBondContact O-N 2.89Å; N786-L791 HydrophobicContact CB-CD1 3.76Å
787	E	93.6	Very high	93.9	Very high	164 Å²	164	59.9 Å²	59.9	77%	0.766	31%	0.305	S	S	*	.	H	α-helix	trans	-58.9	-33.6	177.9	-73.7	173.3	-177.8	0	0	112.8	L783 K784 G789	L783-E787 WeakPolarHBondContact O-CG 3.23Å; L783-E787 PolarHBondContact O-N 2.69Å; K784-E787 PolarHBondContact O-N 2.94Å; E787-G789 VanDerWaalsContact C-N 3.28Å; E787-G789 PolarHBondContact O-N 3.27Å
788	Q	94.4	Very high	94	Very high	117 Å²	117	58.2 Å²	58.2	55%	0.547	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-4.1	177.2	-69.3	179	-7.8	0	0	114	K784 N786 L790	K784-Q788 WeakPolarHBondContact O-CB 3.38Å; K784-Q788 VanDerWaalsContact O-CG 3.25Å; K784-Q788 WeakPolarHBondContact O-CG 3.26Å; K784-Q788 PolarHBondContact O-N 2.89Å; N786-Q788 PolarHBondContact O-N 2.94Å; Q788-L790 PolarHBondContact O-N 3.31Å
789	G	93.3	Very high	93.9	Very high	28 Å²	28	58.2 Å²	58.2	29%	0.289	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.2	16	-174.9	0	0	0	0	0	114	N786 E787 D792 K793	N786-G789 PolarHBondContact O-N 2.89Å; E787-G789 VanDerWaalsContact C-N 3.28Å; E787-G789 PolarHBondContact O-N 3.27Å; G789-D792 PolarHBondContact O-N 2.82Å; G789-K793 PolarHBondContact O-N 3.22Å; G789-K793 VanDerWaalsContact O-N 3.13Å
790	L	94.4	Very high	93.7	Very high	37 Å²	37	61.6 Å²	61.6	19%	0.194	30%	0.301	C	S	.	.	H	α-helix	trans	-70.9	-35.6	-179.2	-166.8	71.3	0	0	0	111.2	E461 L785 Q788 D792 K793 L794	E461-L790 HydrophobicContact CB-CD2 4.26Å; E461-L790 HydrophobicContact CG-CD2 3.67Å; L785-L790 HydrophobicContact CD2-CB 4.44Å; L785-L790 HydrophobicContact CD2-CD2 3.6Å; L785-L790 PolarHBondContact O-N 2.8Å; Q788-L790 PolarHBondContact O-N 3.31Å; L790-D792 VanDerWaalsContact C-N 3.32Å; L790-D792 PolarHBondContact O-N 3.16Å; L790-K793 HydrophobicContact CD1-CD 4.31Å; L790-K793 WeakPolarHBondContact O-CB 3.31Å; L790-K793 PolarHBondContact O-N 3.49Å; L790-L794 WeakPolarHBondContact O-CG 3.14Å; L790-L794 PolarHBondContact O-N 3.09Å
791	L	94.1	Very high	93.4	Very high	2 Å²	2	61.9 Å²	61.9	1%	0.01	30%	0.303	C	S	.	.	H	α-helix	trans	-61.2	-41.1	176.8	-62.4	180	0	0	0	111.7	L458 F525 L785 N786 L794 K795	L458-L791 HydrophobicContact CD1-CD2 3.7Å; F525-L791 HydrophobicContact CB-CD1 4.02Å; L785-L791 HydrophobicContact CB-CD2 4.05Å; L785-L791 HydrophobicContact CB-CG 4.03Å; L785-L791 HydrophobicContact CD1-CD2 4.46Å; L785-L791 PolarHBondContact O-N 3.04Å; N786-L791 HydrophobicContact CB-CD1 3.76Å; L791-L794 PolarHBondContact O-N 3.38Å; L791-K795 WeakPolarHBondContact O-CB 3.24Å; L791-K795 PolarHBondContact O-N 2.95Å
792	D	93	Very high	93	Very high	94 Å²	94	65.5 Å²	65.5	50%	0.503	32%	0.318	S	S	.	.	H	α-helix	trans	-67.1	-41.9	175.5	-67.6	-35.6	0	0	0	111.6	G789 L790 L794 K795 N796	G789-D792 PolarHBondContact O-N 2.82Å; L790-D792 VanDerWaalsContact C-N 3.32Å; L790-D792 PolarHBondContact O-N 3.16Å; D792-L794 VanDerWaalsContact C-N 3.34Å; D792-L794 PolarHBondContact O-N 3.5Å; D792-K795 PolarHBondContact O-N 3.2Å; D792-N796 PolarHBondContact O-N 3.15Å
793	K	95.2	Very high	92.5	Very high	148 Å²	148	66.8 Å²	66.8	64%	0.643	33%	0.332	S	S	*	.	H	α-helix	trans	-59.7	-43.6	174.2	-174.3	177.4	176.9	178.1	0	111.8	G789 L790 N796 K797	G789-K793 PolarHBondContact O-N 3.22Å; G789-K793 VanDerWaalsContact O-N 3.13Å; L790-K793 HydrophobicContact CD1-CD 4.31Å; L790-K793 WeakPolarHBondContact O-CB 3.31Å; L790-K793 PolarHBondContact O-N 3.49Å; K793-N796 PolarHBondContact O-N 2.92Å; K793-K797 WeakPolarHBondContact O-CB 3.39Å; K793-K797 PolarHBondContact O-N 3.18Å; K793-K797 VanDerWaalsContact O-N 3.08Å
794	L	94.8	Very high	92.1	Very high	16 Å²	16	68.2 Å²	68.2	8%	0.084	34%	0.337	C	S	.	.	H	α-helix	trans	-66.4	-38.5	175.7	-70.9	177.8	0	0	0	111.6	Y454 D457 L790 L791 D792 K797 W798	Y454-L794 HydrophobicContact CD2-CB 3.87Å; Y454-L794 HydrophobicContact CE2-CB 3.53Å; D457-L794 HydrophobicContact CB-CD1 4.33Å; D457-L794 HydrophobicContact CB-CD2 3.78Å; L790-L794 WeakPolarHBondContact O-CG 3.14Å; L790-L794 PolarHBondContact O-N 3.09Å; L791-L794 PolarHBondContact O-N 3.38Å; D792-L794 VanDerWaalsContact C-N 3.34Å; D792-L794 PolarHBondContact O-N 3.5Å; L794-K797 PolarHBondContact O-N 3.34Å; L794-W798 VanDerWaalsContact O-CD1 3.24Å; L794-W798 PolarHBondContact O-N 3.14Å
795	K	93.3	Very high	91.5	Very high	51 Å²	51	64.2 Å²	64.2	22%	0.222	32%	0.321	C	S	.	.	H	α-helix	trans	-61.6	-47.5	176	-175.4	-180	176.2	-176.4	0	110.5	Y454 M526 L791 D792 K797 W798 W799	Y454-K795 HydrophobicContact CE2-CB 4.39Å; M526-K795 HydrophobicContact CE-CB 4.47Å; M526-K795 HydrophobicContact CE-CD 4.4Å; M526-K795 HydrophobicContact CE-CG 4.31Å; L791-K795 WeakPolarHBondContact O-CB 3.24Å; L791-K795 PolarHBondContact O-N 2.95Å; D792-K795 PolarHBondContact O-N 3.2Å; K795-K797 PolarHBondContact O-N 3.29Å; K795-W798 PolarHBondContact O-N 2.83Å; K795-W799 HydrophobicContact CG-CD2 4.46Å; K795-W799 HydrophobicContact CG-CE3 4.21Å; K795-W799 WeakPolarHBondContact O-CB 3.24Å; K795-W799 PolarHBondContact O-N 3.26Å
796	N	92.9	Very high	90	Very high	74 Å²	74	67.7 Å²	67.7	40%	0.396	36%	0.357	S	S	.	.	H	α-helix	trans	-59.4	-45.1	178	-69.5	-18.3	0	0	0	112.2	D792 K793 W798 Y800 D801	D792-N796 PolarHBondContact O-N 3.15Å; K793-N796 PolarHBondContact O-N 2.92Å; N796-W798 VanDerWaalsContact C-N 3.33Å; N796-W798 PolarHBondContact O-N 3.35Å; N796-Y800 PolarHBondContact O-N 3.14Å; N796-Y800 WeakPolarHBondContact OD1-CD2 3.44Å; N796-D801 PolarHBondContact O-N 2.89Å
797	K	93.8	Very high	87.9	Confident	76 Å²	76	69.8 Å²	69.8	33%	0.33	38%	0.378	S	S	.	.	H	α-helix	trans	-55.1	-43.6	176.9	-179.8	-174.6	175.4	-168.8	0	113.3	D457 K793 L794 K795 D801 K802	D457-K797 IonicContact OD1-NZ 3.94Å; D457-K797 IonicContact OD2-NZ 2.63Å; D457-K797 PolarHBondContact OD2-NZ 3.28Å; K793-K797 WeakPolarHBondContact O-CB 3.39Å; K793-K797 PolarHBondContact O-N 3.18Å; K793-K797 VanDerWaalsContact O-N 3.08Å; L794-K797 PolarHBondContact O-N 3.34Å; K795-K797 PolarHBondContact O-N 3.29Å; K797-D801 WeakPolarHBondContact CA-OD2 3.21Å; K797-K802 WeakPolarHBondContact O-CG 3.44Å
798	W	94.2	Very high	85.3	Confident	5 Å²	5	65.1 Å²	65.1	2%	0.019	37%	0.374	C	S	.	.	H	α-helix	trans	-94.5	-22	-170.8	-72.7	106.2	0	0	0	114.5	P434 M437 E452 G453 D457 L794 K795 N796 K802	P434-W798 HydrophobicContact CB-CB 4.32Å; P434-W798 HydrophobicContact CB-CE3 4.4Å; M437-W798 HydrophobicContact CE-CE3 4.08Å; M437-W798 HydrophobicContact CE-CZ3 3.59Å; E452-W798 HydrophobicContact CB-CH2 4.07Å; E452-W798 HydrophobicContact CG-CH2 4.35Å; G453-W798 VanDerWaalsContact C-CZ2 3.48Å; G453-W798 VanDerWaalsContact CA-CH2 3.41Å; G453-W798 VanDerWaalsContact CA-CZ2 3.44Å; D457-W798 WeakPolarHBondContact OD2-CZ2 3.42Å; D457-W798 PolarHBondContact OD2-NE1 3.5Å; L794-W798 VanDerWaalsContact O-CD1 3.24Å; L794-W798 PolarHBondContact O-N 3.14Å; K795-W798 PolarHBondContact O-N 2.83Å; N796-W798 VanDerWaalsContact C-N 3.33Å; N796-W798 PolarHBondContact O-N 3.35Å; W798-K802 HydrophobicContact CE3-CD 4.02Å; W798-K802 HydrophobicContact CZ3-CD 4.16Å
799	W	91.8	Very high	82.4	Confident	1 Å²	1	63.2 Å²	63.2	0%	0.004	39%	0.386	C	S	.	.	H	α-helix	trans	-101	-47.7	178.1	-85.3	-107.7	0	0	0	113.7	P434 Y435 Y454 M526 T739 K795	P434-W799 HydrophobicContact CG-CD2 4.11Å; P434-W799 HydrophobicContact CG-CE3 4.03Å; P434-W799 HydrophobicContact CG-CH2 3.61Å; P434-W799 HydrophobicContact CG-CZ2 3.68Å; P434-W799 HydrophobicContact CG-CZ3 3.79Å; Y435-W799 HydrophobicContact CD1-CH2 4.04Å; Y435-W799 AromaticContact CE1-CH2 3.53Å; Y435-W799 HydrophobicContact CE1-CH2 3.53Å; Y435-W799 AromaticContact CE1-CZ2 3.89Å; Y435-W799 HydrophobicContact CE1-CZ2 3.89Å; Y435-W799 AromaticContact CZ-CH2 3.96Å; Y435-W799 AromaticContact CZ-CZ2 3.83Å; Y454-W799 AromaticContact CD2-CZ3 3.73Å; Y454-W799 HydrophobicContact CD2-CZ3 3.73Å; Y454-W799 HydrophobicContact CE2-CZ3 4.46Å; Y454-W799 HydrophobicContact CG-CH2 4.33Å; Y454-W799 AromaticContact CG-CZ3 3.88Å; Y454-W799 HydrophobicContact CG-CZ3 3.88Å; M526-W799 HydrophobicContact CE-CH2 4.2Å; M526-W799 HydrophobicContact CE-CZ3 4.35Å; T739-W799 PolarHBondContact O-NE1 3.06Å; K795-W799 HydrophobicContact CG-CD2 4.46Å; K795-W799 HydrophobicContact CG-CE3 4.21Å; K795-W799 WeakPolarHBondContact O-CB 3.24Å; K795-W799 PolarHBondContact O-N 3.26Å
800	Y	88.5	Confident	79.6	Confident	108 Å²	108	65.3 Å²	65.3	42%	0.424	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-46.7	-167.9	-56.4	-59.8	0	0	0	112.7	N796 K802 G803	N796-Y800 PolarHBondContact O-N 3.14Å; N796-Y800 WeakPolarHBondContact OD1-CD2 3.44Å; Y800-K802 PolarHBondContact O-N 2.94Å; Y800-G803 PolarHBondContact O-N 3.45Å
801	D	88.6	Confident	76.7	Confident	125 Å²	125	71.3 Å²	71.3	67%	0.668	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-29.4	-178.8	-63.4	-13.4	0	0	0	112.2	N796 K797	N796-D801 PolarHBondContact O-N 2.89Å; K797-D801 WeakPolarHBondContact CA-OD2 3.21Å
802	K	84.9	Confident	73.6	Confident	81 Å²	81	76.5 Å²	76.5	35%	0.352	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100	16.3	174.9	-67.5	-176.3	178.6	-171.9	0	113	R747 K797 W798 Y800	R747-K802 PolarHBondContact NH1-O 2.79Å; K797-K802 WeakPolarHBondContact O-CG 3.44Å; W798-K802 HydrophobicContact CE3-CD 4.02Å; W798-K802 HydrophobicContact CZ3-CD 4.16Å; Y800-K802 PolarHBondContact O-N 2.94Å
803	G	84.1	Confident	70.6	Confident	30 Å²	30	82 Å²	82	31%	0.309	50%	0.496	S	S	.	.			trans	-65.6	129.8	174.4	0	0	0	0	0	110.7	Y800	Y800-G803 PolarHBondContact O-N 3.45Å
804	E	87.1	Confident	67.3	Low	93 Å²	93	82.1 Å²	82.1	44%	0.435	50%	0.503	S	S	.	.			trans	-94.5	-19.4	179.4	-65.6	167.7	-156.4	0	0	112.2	Q746 R747 K748 G806	Q746-E804 PolarHBondContact O-N 3.13Å; R747-E804 IonicContact CZ-OE1 2.64Å; R747-E804 IonicContact NE-OE1 2.97Å; R747-E804 IonicContact NH1-OE1 3.66Å; R747-E804 PolarHBondContact NH1-OE1 2.86Å; K748-E804 HydrophobicContact CD-CB 4.36Å; K748-E804 HydrophobicContact CG-CB 3.97Å; K748-E804 PolarHBondContact N-OE2 3.32Å; E804-G806 PolarHBondContact O-N 3.02Å
805	C	81.5	Confident	64.2	Low	15 Å²	15	86 Å²	86	10%	0.101	54%	0.538	C	S	.	.	S	Bend	trans	-90.5	95.2	177.9	-66.4	0	0	0	0	109.1	Q746 R747 C750 S807	Q746-C805 PolarHBondContact O-N 3Å; Q746-C805 VanDerWaalsContact O-N 3.14Å; Q746-C805 PolarHBondContact OE1-O 2.88Å; R747-C805 PolarHBondContact N-SG 2.85Å; R747-C805 PolarHBondContact O-SG 2.89Å; C750-C805 WeakPolarHBondContact CA-SG 3.33Å; C750-C805 HydrophobicContact CB-CB 3.85Å; C750-C805 WeakPolarHBondContact CB-SG 3.25Å; C750-C805 WeakPolarHBondContact SG-CA 3.28Å; C750-C805 WeakPolarHBondContact SG-CB 3.36Å; C750-C805 CovalentContact SG-SG 2.01Å; C750-C805 PolarHBondContact SG-SG 2.94Å; C805-S807 PolarHBondContact O-N 3.4Å
806	G	62.8	Low	60.9	Low	72 Å²	72	89.9 Å²	89.9	74%	0.742	57%	0.57	S	S	*	*			trans	-57	132.6	170.6	0	0	0	0	0	110.2	E804 G808	E804-G806 PolarHBondContact O-N 3.02Å; G806-G808 VanDerWaalsContact C-N 3.26Å; G806-G808 PolarHBondContact O-N 2.93Å
807	S	49.6	Very low	57.7	Low	128 Å²	128	95.1 Å²	95.1	90%	0.895	59%	0.589	S	S	*	*	S	Bend	trans	-64.8	88.9	166.4	46.8	0	0	0	0	109.3	C805	C805-S807 PolarHBondContact O-N 3.4Å
808	G	39.1	Very low	54.7	Low	66 Å²	66	97.3 Å²	97.3	68%	0.68	61%	0.611	S	S	*	*			trans	74.8	147.5	164.1	0	0	0	0	0	115.9	G806	G806-G808 VanDerWaalsContact C-N 3.26Å; G806-G808 PolarHBondContact O-N 2.93Å
809	G	34.2	Very low	51.3	Low	78 Å²	78	103 Å²	103	80%	0.804	65%	0.65	S	S	*	*	S	Bend	trans	-59.7	163.8	157.6	0	0	0	0	0	111
810	G	33.3	Very low	48.3	Very low	72 Å²	72	108.3 Å²	108.3	74%	0.742	69%	0.687	S	S	*	*	S	Bend	trans	10.9	123.6	168.6	0	0	0	0	0	118.9
811	D	33.3	Very low	45.5	Very low	163 Å²	163	110.3 Å²	110.3	87%	0.872	70%	0.704	S	S	*	*			trans	76.6	88	160.5	-55.8	-26.5	0	0	0	117.8
812	S	29.1	Very low	42.6	Very low	110 Å²	110	113.2 Å²	113.2	77%	0.769	71%	0.713	S	S	*	*				171.7	109.4	108	41.3	0	0	0	0	110.9	N814	S812-N814 PolarHBondContact O-N 3.02Å; S812-N814 VanDerWaalsContact O-N 3.12Å
813	K	30.4	Very low	40.3	Very low	211 Å²	211	115.5 Å²	115.5	92%	0.917	73%	0.734	S	S	*	*			trans	-69.7	96.2	155	-80.4	179	175	175	0	107.2
814	N	27.1	Very low	37.9	Very low	149 Å²	149	126.8 Å²	126.8	80%	0.797	78%	0.779	S	S	*	*			trans	-128	103.5	153.7	-90.9	-19.2	0	0	0	108.2	S812 C816	S812-N814 PolarHBondContact O-N 3.02Å; S812-N814 VanDerWaalsContact O-N 3.12Å; N814-C816 PolarHBondContact O-N 3.2Å; N814-C816 VanDerWaalsContact O-N 3.13Å
815	A	29.1	Very low	35.4	Very low	98 Å²	98	128.5 Å²	128.5	81%	0.81	80%	0.796	S	S	*	*			trans	-63.6	105.8	167.9	0	0	0	0	0	108.8	K817	A815-K817 PolarHBondContact O-N 3.28Å; A815-K817 VanDerWaalsContact O-N 3.1Å
816	C	24.6	Very low	33	Very low	133 Å²	133	134.4 Å²	134.4	90%	0.899	83%	0.833	S	S	*	*			trans	-71.4	97.9	157.9	-88.1	0	0	0	0	107.9	N814	N814-C816 PolarHBondContact O-N 3.2Å; N814-C816 VanDerWaalsContact O-N 3.13Å
817	K	25.2	Very low	31.4	Very low	184 Å²	184	137.9 Å²	137.9	80%	0.8	84%	0.838	S	S	*	*			trans	-60.7	140.3	158.6	-73.7	178.9	175.4	179.1	0	108.3	A815 C819	A815-K817 PolarHBondContact O-N 3.28Å; A815-K817 VanDerWaalsContact O-N 3.1Å; K817-C819 PolarHBondContact O-N 2.75Å
818	P	30.7	Very low	30.3	Very low	121 Å²	121	138.5 Å²	138.5	79%	0.786	83%	0.834	S	S	*	*			trans	-67.8	121.8	173	27	-30.3	0	0	0	109.2	S820	P818-S820 PolarHBondContact O-N 3.29Å
819	C	23.5	Very low	29.7	Very low	125 Å²	125	143 Å²	143	85%	0.845	84%	0.844	S	S	*	*			trans	-68.4	107.2	163.9	-78.8	0	0	0	0	108.3	K817 I821	K817-C819 PolarHBondContact O-N 2.75Å; C819-I821 PolarHBondContact O-N 2.77Å
820	S	27.8	Very low	29.4	Very low	112 Å²	112	147.3 Å²	147.3	78%	0.783	85%	0.846	S	S	*	*			trans	-61.6	116.9	159.7	-20	0	0	0	0	107.8	P818 E822	P818-S820 PolarHBondContact O-N 3.29Å; S820-E822 PolarHBondContact O-N 3.31Å
821	I	30.2	Very low	29.2	Very low	151 Å²	151	152.7 Å²	152.7	77%	0.774	85%	0.854	S	S	*	*			trans	-77.7	98.1	165.8	-63.1	172.2	0	0	0	105.7	C819 T823	C819-I821 PolarHBondContact O-N 2.77Å; I821-T823 PolarHBondContact O-N 3.46Å
822	E	27	Very low	28.8	Very low	186 Å²	186	151.9 Å²	151.9	87%	0.869	85%	0.852	S	S	*	*			trans	-66.4	120.8	158.4	-82.6	178.4	157.6	0	0	107.6	S820	S820-E822 PolarHBondContact O-N 3.31Å
823	T	37.4	Very low	28.8	Very low	128 Å²	128	155.4 Å²	155.4	79%	0.785	86%	0.859	S	S	*	*			trans	-88.6	125.8	168.9	20.8	0	0	0	0	107.5	I821	I821-T823 PolarHBondContact O-N 3.46Å
824	Q	32.9	Very low	28.7	Very low	267 Å²	267	150.4 Å²	150.4	100%	1.248	85%	0.854	S	S	*	*			trans	-71	0	156.3	-84.5	-176.6	-16.6	0	0	110.1

Retrieved 824 of 824 residues in 1205.5 ms (Link to these results)

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