A0A096NC67_PAPAN Loading...

ArfGAP with SH3 domain, ankyrin repeat and PH domain 1

AlphaFold DB , UniProt , Accession A0A096NC67, Species PAPAN (Papio anubis, Olive baboon), Gene ASAP1, Length 1,129 aa.

						>A0A096NC67_PAPAN|A0A096NC67|ASAP1
MRSSASRLSSFSSRDSLWNRMPDQISVSEFIAETTEDYNSPTTSSFTTRLHNCRNTVTLLEEALDQDRTALQKVKKSVKAIYNSGQDHVQNEENYAQVLDKFGSNFLSRDNPDLGTAFVKFSTLTKELSTLLKNLLQGLSHNVIFTLDSLLKGDLKGVKGDLKKPFDKAWKDYETKFTKIEKEKREHAKQHGMIRTEITGAEIAEEMEKERRLFQLQMCEYLIKVNEIKTKKGVDLLQNLIKYYHAQCNFFQDGLKTADKLKQYIEKLAADLYNIKQTQDEEKKQLTALRDLIKSSLQLDQKEDSQSRQGGYSMHQLQGNKEYGSEKKGYLLKKSDGIRKVWQRRKCSVKNGILTISHATSNRQPAKLNLLTCQVKPNAEDKKSFDLISHNRTYHFQAEDEQDYVAWISVLTNSKEEALTMAFRGEQSAGENSLEDLTKAIIEDVQRLPGNDICCDCGSSEPTWLSTNLGILTCIECSGIHREMGVHISRIQSLELDKLGTSELLLAKNVGNNSFNDIMEANLPSPSPKPTPSSDMTVRKEYITAKYVDHRFSRKTCSTSSAKLNELLEAIKSRDLLALIQVYAEGVELMEPLLEPGQELGETALHLAVRTADQTSLHLVDFLVQNCGNLDKQTALGNTVLHYCSMYSKPECLKLLLRSKPTVDIVNQAGETALDIAKRLKATQCEDLLSQAKSGKFNPHVHVEYEWNLRQEEMDESDDDLDDKPSPIKKERSPRPQSFCHSSSISPQDKPALPGFSTPRDKQRLSYGAFTNQIFVSTSTDSPTSPTTEAPPLPPRNAGKGPTGPPSTLPLSTQTSSGSSTLSKKRPPPPPPGHKRTLSDPPSPLPHGPPNKGAVPWGNDGGPSSSSKTTNKFEGLSQQSSTSSAKTALGPRVLPKLPQKVALRKTDHLSLDKSNIPPEIFQKSSQLAELPQKPPPGDLPPKPTELAPRPQVGDLPPKPGELPPKPQLGDLPPKPQLSDLPPKPQMKDLPPKPQLGDLLAKSQTGDVSPKAQQPSEVTPKSHPLDLSPNVQSRDAIQKQASEDSNDLTPTLPETPVPLPRKINTGKNKVRRVKTIYDCQADNDDELTFIEGEVIIVTGEEDQEWWIGHIEGQPERKGVFPVSFVHILSD
					

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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	38.8	Very low	33.1	Very low	248 Å²	248	155.9 Å²	155.9	100%	1.222	85%	0.848	S	S	*	*				0	133.8	0	-70.7	163.2	170.6	0	0	108.7
2	R	37	Very low	33.1	Very low	257 Å²	257	152.5 Å²	152.5	97%	0.97	84%	0.844	S	S	*	*			trans	-141	106.1	169.4	-122.5	-168.9	-174.9	-170.2	2.9	107.7
3	S	29.2	Very low	33.3	Very low	113 Å²	113	149.8 Å²	149.8	79%	0.79	84%	0.843	S	S	*	*			trans	-171.9	171.3	165.6	-163.7	0	0	0	0	108.9
4	S	30.2	Very low	33.5	Very low	113 Å²	113	152.4 Å²	152.4	79%	0.79	83%	0.833	S	S	*	*			trans	66.4	38	168.8	-51.2	0	0	0	0	117.4
5	A	33.5	Very low	34.1	Very low	106 Å²	106	151.6 Å²	151.6	88%	0.876	83%	0.827	S	S	*	*			trans	-116.6	48.9	168.5	0	0	0	0	0	111.7
6	S	36	Very low	34.9	Very low	104 Å²	104	147.6 Å²	147.6	73%	0.727	81%	0.814	S	S	*	*			trans	-148.3	45	-168.5	50.6	0	0	0	0	114
7	R	34.9	Very low	35	Very low	235 Å²	235	145.9 Å²	145.9	89%	0.887	80%	0.803	S	S	*	*	S	Bend	trans	-156.9	34.8	176	-117.5	172.9	-151.1	-144.2	4.6	116.4
8	L	30.9	Very low	35.6	Very low	157 Å²	157	147 Å²	147	82%	0.822	79%	0.793	S	S	*	*			trans	-128.1	18	178.2	-75.5	176	0	0	0	115	S10	L8-S10 PolarHBondContact O-N 3.16Å
9	S	31.3	Very low	36	Very low	123 Å²	123	145.5 Å²	145.5	86%	0.86	78%	0.784	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.5	51.1	176.4	59.8	0	0	0	0	112.7
10	S	31.8	Very low	36.4	Very low	95 Å²	95	149.9 Å²	149.9	66%	0.664	79%	0.789	S	S	*	*	T	Hydrogen-bonded Turn	trans	-150.6	16	-178.7	61.6	0	0	0	0	115.6	L8	L8-S10 PolarHBondContact O-N 3.16Å
11	F	30.8	Very low	37	Very low	164 Å²	164	147.5 Å²	147.5	72%	0.719	78%	0.775	S	S	*	*			trans	-115.3	54.1	175.8	-81.5	-78	0	0	0	112.7
12	S	32.9	Very low	37.9	Very low	115 Å²	115	140.9 Å²	140.9	80%	0.804	75%	0.75	S	S	*	*	S	Bend	trans	-133.9	46	170.7	-171.5	0	0	0	0	111.8
13	S	36.1	Very low	39.6	Very low	118 Å²	118	133.2 Å²	133.2	83%	0.825	73%	0.729	S	S	*	*			trans	-164.3	90.7	165.9	-78.8	0	0	0	0	108
14	R	35.6	Very low	42.3	Very low	185 Å²	185	129.5 Å²	129.5	70%	0.698	70%	0.699	S	S	*	*			trans	-143	26.2	173.8	-145.5	179.7	177	-166.3	-4.1	114.5
15	D	42.8	Very low	45.2	Very low	141 Å²	141	124.5 Å²	124.5	75%	0.754	66%	0.663	S	S	*	*			trans	-60.7	168.5	142.3	-63	-63.4	0	0	0	109.5
16	S	45.9	Very low	47.9	Very low	88 Å²	88	121 Å²	121	62%	0.615	63%	0.632	S	S	*	*			trans	69	31.4	176.1	75.6	0	0	0	0	119
17	L	37.3	Very low	50.5	Low	119 Å²	119	119.9 Å²	119.9	62%	0.623	62%	0.621	S	S	*	*	S	Bend	trans	-99.1	-19.2	147.3	-84.3	173.3	0	0	0	113.6
18	W	45.7	Very low	53.2	Low	165 Å²	165	112.7 Å²	112.7	63%	0.625	61%	0.607	S	S	*	*	S	Bend	trans	-84.6	-30.5	175.2	-63.9	94.1	0	0	0	112.7	R20	W18-R20 PolarHBondContact O-N 2.66Å
19	N	42.9	Very low	56.2	Low	118 Å²	118	109.6 Å²	109.6	63%	0.631	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.5	26.9	-171.9	-55.9	32.5	0	0	0	114.5
20	R	44.7	Very low	59.2	Low	233 Å²	233	104 Å²	104	88%	0.879	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-144.9	25.1	-178.9	-107.5	-175.4	-175.2	-167.1	0.5	115.4	W18	W18-R20 PolarHBondContact O-N 2.66Å
21	M	47.9	Very low	62.2	Low	101 Å²	101	104 Å²	104	50%	0.498	54%	0.54	S	S	.	.			trans	-103.8	114	166.9	-69.9	-73.9	-73.1	0	0	108.5	D23 Q24	M21-D23 PolarHBondContact O-N 3.38Å; M21-D23 VanDerWaalsContact O-N 3.12Å; M21-Q24 HydrophobicContact CB-CB 4.43Å; M21-Q24 HydrophobicContact CB-CG 4.18Å; M21-Q24 PolarHBondContact O-N 3.33Å
22	P	58.7	Low	65.1	Low	108 Å²	108	99 Å²	99	70%	0.701	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-26.4	-175.8	-26.3	35.6	0	0	0	114.5	N52	P22-N52 PolarHBondContact O-ND2 3.26Å
23	D	73.6	Confident	68	Low	96 Å²	96	94.5 Å²	94.5	51%	0.513	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	8.9	-170.2	-46.6	-70.1	0	0	0	114	M21 N52 N55	M21-D23 PolarHBondContact O-N 3.38Å; M21-D23 VanDerWaalsContact O-N 3.12Å; D23-N52 WeakPolarHBondContact O-CA 3.47Å; D23-N55 WeakPolarHBondContact O-CB 3.48Å; D23-N55 PolarHBondContact O-ND2 3.45Å
24	Q	84.8	Confident	70.8	Confident	35 Å²	35	89.8 Å²	89.8	16%	0.164	46%	0.461	C	S	.	.			trans	-112.3	167.9	177.8	-71.9	179	47.2	0	0	111.6	M21 N52 L59	M21-Q24 HydrophobicContact CB-CB 4.43Å; M21-Q24 HydrophobicContact CB-CG 4.18Å; M21-Q24 PolarHBondContact O-N 3.33Å; Q24-N52 PolarHBondContact N-ND2 2.9Å; Q24-N52 PolarHBondContact O-ND2 3.29Å; Q24-L59 HydrophobicContact CG-CD1 3.88Å; Q24-L59 VanDerWaalsContact NE2-CD1 3.27Å
25	I	90.8	Very high	73.6	Confident	8 Å²	8	84.3 Å²	84.3	4%	0.041	45%	0.448	C	S	.	.			trans	-131.2	133.5	167.1	-167.2	168.7	0	0	0	109.3	E29 F30 R49 N52 C53 T56 M218	I25-E29 HydrophobicContact CD1-CB 4.21Å; I25-E29 HydrophobicContact CG1-CB 3.63Å; I25-F30 HydrophobicContact CD1-CB 3.94Å; I25-F30 HydrophobicContact CG1-CB 4.13Å; I25-R49 HydrophobicContact CD1-CB 4.18Å; I25-N52 HydrophobicContact CB-CB 3.99Å; I25-N52 HydrophobicContact CG2-CB 4.34Å; I25-C53 HydrophobicContact CG2-CB 4.42Å; I25-T56 PolarHBondContact N-OG1 2.78Å; I25-T56 PolarHBondContact O-OG1 3.24Å; I25-M218 HydrophobicContact CG2-CE 4.45Å
26	S	90.8	Very high	76	Confident	32 Å²	32	82.1 Å²	82.1	22%	0.224	43%	0.434	C	S	.	.			trans	-78.7	163.1	173.2	69.3	0	0	0	0	111.9	S28 E29 F30	S26-S28 VanDerWaalsContact C-N 3.25Å; S26-S28 PolarHBondContact O-N 2.73Å; S26-S28 PolarHBondContact OG-OG 2.92Å; S26-E29 WeakPolarHBondContact CB-OE2 3.26Å; S26-E29 PolarHBondContact N-OE2 2.93Å; S26-E29 PolarHBondContact O-N 2.98Å; S26-E29 VanDerWaalsContact OG-CD 3.26Å; S26-E29 WeakPolarHBondContact OG-CG 3.17Å; S26-E29 PolarHBondContact OG-N 3.28Å; S26-E29 PolarHBondContact OG-OE2 2.86Å; S26-F30 WeakPolarHBondContact O-CB 3.43Å; S26-F30 PolarHBondContact O-N 2.73Å
27	V	91.4	Very high	78.2	Confident	81 Å²	81	78 Å²	78	49%	0.491	40%	0.404	S	S	.	.	H	α-helix	trans	-59.1	-38.5	175.9	-178.9	0	0	0	0	111.4	I31 L222	V27-I31 HydrophobicContact CG1-CD1 3.87Å; V27-I31 WeakPolarHBondContact O-CB 3.33Å; V27-I31 WeakPolarHBondContact O-CD1 3.17Å; V27-I31 VanDerWaalsContact O-CG1 3.22Å; V27-I31 WeakPolarHBondContact O-CG1 3.32Å; V27-I31 PolarHBondContact O-N 3.06Å; V27-L222 HydrophobicContact CG2-CD1 4.45Å; V27-L222 HydrophobicContact CG2-CD2 4.31Å
28	S	91.6	Very high	80.7	Confident	84 Å²	84	79.8 Å²	79.8	59%	0.587	40%	0.404	S	S	*	.	H	α-helix	trans	-64.4	-45	176.2	30.2	0	0	0	0	113.3	S26 A32	S26-S28 VanDerWaalsContact C-N 3.25Å; S26-S28 PolarHBondContact O-N 2.73Å; S26-S28 PolarHBondContact OG-OG 2.92Å; S28-A32 PolarHBondContact O-N 3.38Å; S28-A32 VanDerWaalsContact O-N 3.09Å
29	E	92.1	Very high	82.9	Confident	92 Å²	92	77.4 Å²	77.4	43%	0.43	40%	0.404	S	S	.	.	H	α-helix	trans	-69.1	-40.9	177.6	-69.6	158	134.3	0	0	111	I25 S26 I31 A32 E33	I25-E29 HydrophobicContact CD1-CB 4.21Å; I25-E29 HydrophobicContact CG1-CB 3.63Å; S26-E29 WeakPolarHBondContact CB-OE2 3.26Å; S26-E29 PolarHBondContact N-OE2 2.93Å; S26-E29 PolarHBondContact O-N 2.98Å; S26-E29 VanDerWaalsContact OG-CD 3.26Å; S26-E29 WeakPolarHBondContact OG-CG 3.17Å; S26-E29 PolarHBondContact OG-N 3.28Å; S26-E29 PolarHBondContact OG-OE2 2.86Å; E29-I31 PolarHBondContact O-N 3.36Å; E29-A32 PolarHBondContact O-N 2.64Å; E29-E33 WeakPolarHBondContact O-CB 3.48Å; E29-E33 VanDerWaalsContact O-CG 3.3Å; E29-E33 WeakPolarHBondContact O-CG 3.35Å; E29-E33 PolarHBondContact O-N 3.29Å
30	F	94.8	Very high	85.2	Confident	5 Å²	5	74.2 Å²	74.2	2%	0.022	39%	0.391	C	S	.	.	H	α-helix	trans	-61.8	-42	176.2	172.5	-102.3	0	0	0	112	I25 S26 T34 F46 M218 L222	I25-F30 HydrophobicContact CD1-CB 3.94Å; I25-F30 HydrophobicContact CG1-CB 4.13Å; S26-F30 WeakPolarHBondContact O-CB 3.43Å; S26-F30 PolarHBondContact O-N 2.73Å; F30-T34 VanDerWaalsContact CE2-OG1 3.22Å; F30-T34 WeakPolarHBondContact CE2-OG1 3.43Å; F30-T34 WeakPolarHBondContact CZ-OG1 3.42Å; F30-T34 WeakPolarHBondContact O-CB 3.45Å; F30-T34 PolarHBondContact O-N 3.49Å; F30-T34 PolarHBondContact O-OG1 2.85Å; F30-F46 HydrophobicContact CD2-CE2 4.2Å; F30-F46 AromaticContact CE2-CE2 3.94Å; F30-F46 HydrophobicContact CE2-CE2 3.94Å; F30-F46 HydrophobicContact CE2-CZ 4.24Å; F30-M218 HydrophobicContact CD1-CG 4.48Å; F30-M218 HydrophobicContact CD2-CG 3.94Å; F30-M218 HydrophobicContact CE1-CB 4.41Å; F30-M218 HydrophobicContact CE1-CG 4Å; F30-M218 HydrophobicContact CE2-CB 3.85Å; F30-M218 HydrophobicContact CE2-CG 3.4Å; F30-M218 HydrophobicContact CG-CG 4.46Å; F30-M218 HydrophobicContact CZ-CB 3.62Å; F30-M218 HydrophobicContact CZ-CG 3.44Å; F30-M218 VanDerWaalsContact CZ-CG 3.44Å; F30-L222 HydrophobicContact CB-CD1 4.48Å; F30-L222 HydrophobicContact CD1-CD1 3.47Å; F30-L222 VanDerWaalsContact CD1-CD1 3.47Å; F30-L222 HydrophobicContact CE1-CD1 3.91Å; F30-L222 HydrophobicContact CG-CD1 4.03Å
31	I	94.8	Very high	87.1	Confident	97 Å²	97	64.8 Å²	64.8	50%	0.497	36%	0.36	S	S	.	.	H	α-helix	trans	-62.6	-44.2	174.4	-72.7	166.2	0	0	0	110.8	V27 E29 T35	V27-I31 HydrophobicContact CG1-CD1 3.87Å; V27-I31 WeakPolarHBondContact O-CB 3.33Å; V27-I31 WeakPolarHBondContact O-CD1 3.17Å; V27-I31 VanDerWaalsContact O-CG1 3.22Å; V27-I31 WeakPolarHBondContact O-CG1 3.32Å; V27-I31 PolarHBondContact O-N 3.06Å; E29-I31 PolarHBondContact O-N 3.36Å; I31-T35 WeakPolarHBondContact O-CB 3.25Å; I31-T35 PolarHBondContact O-N 2.97Å; I31-T35 PolarHBondContact O-OG1 3.35Å
32	A	92.9	Very high	88.8	Confident	57 Å²	57	64 Å²	64	47%	0.471	36%	0.361	S	S	.	.	H	α-helix	trans	-63.6	-55.9	179.7	0	0	0	0	0	112.1	S28 E29 T34 T35 E36	S28-A32 PolarHBondContact O-N 3.38Å; S28-A32 VanDerWaalsContact O-N 3.09Å; E29-A32 PolarHBondContact O-N 2.64Å; A32-T34 VanDerWaalsContact C-N 3.31Å; A32-T34 PolarHBondContact O-N 3.14Å; A32-T35 PolarHBondContact O-N 3.19Å; A32-T35 VanDerWaalsContact O-N 3.1Å; A32-E36 PolarHBondContact O-N 3.44Å
33	E	93.1	Very high	90	Very high	21 Å²	21	63.9 Å²	63.9	10%	0.098	36%	0.358	C	S	.	.	H	α-helix	trans	-63.7	-35.6	-178.4	-62.3	-105.2	-169.1	0	0	111.8	E29 D37 S45 F46 R49	E29-E33 WeakPolarHBondContact O-CB 3.48Å; E29-E33 VanDerWaalsContact O-CG 3.3Å; E29-E33 WeakPolarHBondContact O-CG 3.35Å; E29-E33 PolarHBondContact O-N 3.29Å; E33-D37 WeakPolarHBondContact O-CB 3.06Å; E33-D37 PolarHBondContact O-N 2.92Å; E33-S45 PolarHBondContact OE2-OG 2.9Å; E33-F46 HydrophobicContact CB-CD2 4.03Å; E33-R49 HydrophobicContact CG-CG 4.26Å; E33-R49 IonicContact OE1-CZ 3.37Å; E33-R49 IonicContact OE1-NE 3.33Å; E33-R49 PolarHBondContact OE1-NE 3.2Å; E33-R49 IonicContact OE1-NH2 2.75Å; E33-R49 PolarHBondContact OE1-NH2 3.44Å; E33-R49 IonicContact OE2-NE 3.48Å
34	T	94.3	Very high	90.6	Very high	20 Å²	20	60 Å²	60	12%	0.123	34%	0.339	C	S	.	.	H	α-helix	trans	-70.2	-35.6	174.5	-57.9	0	0	0	0	111.9	F30 A32 D37 Y38 F46 Q215	F30-T34 VanDerWaalsContact CE2-OG1 3.22Å; F30-T34 WeakPolarHBondContact CE2-OG1 3.43Å; F30-T34 WeakPolarHBondContact CZ-OG1 3.42Å; F30-T34 WeakPolarHBondContact O-CB 3.45Å; F30-T34 PolarHBondContact O-N 3.49Å; F30-T34 PolarHBondContact O-OG1 2.85Å; A32-T34 VanDerWaalsContact C-N 3.31Å; A32-T34 PolarHBondContact O-N 3.14Å; T34-D37 PolarHBondContact O-N 3.23Å; T34-Y38 VanDerWaalsContact O-CB 3.29Å; T34-Y38 WeakPolarHBondContact O-CB 3.29Å; T34-Y38 PolarHBondContact O-N 3.07Å; T34-F46 WeakPolarHBondContact OG1-CE2 3.29Å; T34-Q215 HydrophobicContact CG2-CB 4.06Å; T34-Q215 HydrophobicContact CG2-CG 3.86Å
35	T	94	Very high	90.6	Very high	70 Å²	70	60.5 Å²	60.5	43%	0.429	35%	0.346	S	S	.	.	H	α-helix	trans	-71.9	-35.9	177	-61.4	0	0	0	0	111.1	I31 A32 Y38 N39	I31-T35 WeakPolarHBondContact O-CB 3.25Å; I31-T35 PolarHBondContact O-N 2.97Å; I31-T35 PolarHBondContact O-OG1 3.35Å; A32-T35 PolarHBondContact O-N 3.19Å; A32-T35 VanDerWaalsContact O-N 3.1Å; T35-Y38 PolarHBondContact O-N 3.27Å; T35-N39 WeakPolarHBondContact O-CB 3.15Å; T35-N39 VanDerWaalsContact O-CG 3.32Å; T35-N39 PolarHBondContact O-N 3.02Å; T35-N39 PolarHBondContact O-ND2 3.34Å
36	E	93.3	Very high	90.5	Very high	95 Å²	95	60.2 Å²	60.2	44%	0.444	34%	0.344	S	S	.	.	H	α-helix	trans	-64.5	-45.2	171.4	-169.9	179.8	152.4	0	0	111.5	A32 Y38 N39 S40	A32-E36 PolarHBondContact O-N 3.44Å; E36-Y38 VanDerWaalsContact C-N 3.32Å; E36-Y38 PolarHBondContact O-N 3.06Å; E36-N39 PolarHBondContact O-N 2.74Å; E36-S40 WeakPolarHBondContact O-CA 3.42Å; E36-S40 PolarHBondContact O-N 3.22Å
37	D	92.1	Very high	90.3	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-67.9	-28.1	174.4	-175.4	98.9	0	0	0	113.7	E33 T34 P41 S44 F46 R211 R212 Q215	E33-D37 WeakPolarHBondContact O-CB 3.06Å; E33-D37 PolarHBondContact O-N 2.92Å; T34-D37 PolarHBondContact O-N 3.23Å; D37-P41 WeakPolarHBondContact O-CA 3.21Å; D37-P41 WeakPolarHBondContact O-CB 3.43Å; D37-P41 WeakPolarHBondContact O-CD 3.35Å; D37-S44 VanDerWaalsContact CA-CB 3.49Å; D37-S44 WeakPolarHBondContact CA-OG 3.48Å; D37-S44 WeakPolarHBondContact CB-OG 3.26Å; D37-S44 PolarHBondContact N-OG 2.78Å; D37-F46 HydrophobicContact CB-CB 3.73Å; D37-F46 HydrophobicContact CB-CG 4.1Å; D37-R211 VanDerWaalsContact OD1-CD 3.3Å; D37-R211 WeakPolarHBondContact OD1-CD 3.47Å; D37-R211 IonicContact OD1-CZ 3.66Å; D37-R211 IonicContact OD1-NE 3.91Å; D37-R211 IonicContact OD1-NH1 2.61Å; D37-R211 PolarHBondContact OD1-NH1 3.04Å; D37-R211 WeakPolarHBondContact OD2-CD 3.22Å; D37-R211 IonicContact OD2-NE 2.75Å; D37-R212 PolarHBondContact O-NH1 3.37Å; D37-R212 PolarHBondContact O-NH2 3.08Å; D37-R212 IonicContact OD2-CZ 2.74Å; D37-R212 IonicContact OD2-NH1 2.73Å; D37-R212 PolarHBondContact OD2-NH1 3.43Å; D37-R212 IonicContact OD2-NH2 3.16Å; D37-Q215 VanDerWaalsContact CG-NE2 3.29Å; D37-Q215 PolarHBondContact OD2-NE2 2.91Å
38	Y	91.3	Very high	90.1	Very high	157 Å²	157	62.3 Å²	62.3	62%	0.616	36%	0.356	S	S	*	.	H	α-helix	trans	-69.1	-45	173.4	-170.1	-91.6	0	0	0	111.5	T34 T35 E36	T34-Y38 VanDerWaalsContact O-CB 3.29Å; T34-Y38 WeakPolarHBondContact O-CB 3.29Å; T34-Y38 PolarHBondContact O-N 3.07Å; T35-Y38 PolarHBondContact O-N 3.27Å; E36-Y38 VanDerWaalsContact C-N 3.32Å; E36-Y38 PolarHBondContact O-N 3.06Å
39	N	92.2	Very high	90	Very high	115 Å²	115	62.2 Å²	62.2	62%	0.615	34%	0.343	S	S	*	.	H	α-helix	trans	-80.6	-32.4	-177.7	-65.6	-36.3	0	0	0	113.4	T35 E36	T35-N39 WeakPolarHBondContact O-CB 3.15Å; T35-N39 VanDerWaalsContact O-CG 3.32Å; T35-N39 PolarHBondContact O-N 3.02Å; T35-N39 PolarHBondContact O-ND2 3.34Å; E36-N39 PolarHBondContact O-N 2.74Å
40	S	90.1	Very high	89.9	Confident	52 Å²	52	58.4 Å²	58.4	36%	0.364	33%	0.326	S	S	.	.			trans	-142.3	63.5	-172.5	-58.8	0	0	0	0	112.7	E36 T42 T43 S44	E36-S40 WeakPolarHBondContact O-CA 3.42Å; E36-S40 PolarHBondContact O-N 3.22Å; S40-T42 PolarHBondContact O-N 2.98Å; S40-T42 VanDerWaalsContact O-N 3.09Å; S40-T43 WeakPolarHBondContact CB-OG1 3.46Å; S40-T43 PolarHBondContact O-N 3.48Å; S40-T43 VanDerWaalsContact O-N 3.12Å; S40-T43 PolarHBondContact O-OG1 3.05Å; S40-S44 PolarHBondContact O-N 3.33Å; S40-S44 VanDerWaalsContact O-N 3.08Å
41	P	84.3	Confident	89.7	Confident	35 Å²	35	63 Å²	63	23%	0.227	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-19	-171.6	23	-33.9	0	0	0	115.5	D37 R211	D37-P41 WeakPolarHBondContact O-CA 3.21Å; D37-P41 WeakPolarHBondContact O-CB 3.43Å; D37-P41 WeakPolarHBondContact O-CD 3.35Å; P41-R211 PolarHBondContact O-NH1 2.66Å
42	T	84.3	Confident	89.6	Confident	84 Å²	84	59.5 Å²	59.5	52%	0.515	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-13.1	179.4	52.1	0	0	0	0	113.9	S40 A201 A204	S40-T42 PolarHBondContact O-N 2.98Å; S40-T42 VanDerWaalsContact O-N 3.09Å; T42-A201 HydrophobicContact CG2-CB 3.88Å; T42-A204 HydrophobicContact CG2-CB 4.34Å
43	T	83.9	Confident	89.6	Confident	106 Å²	106	56.8 Å²	56.8	65%	0.65	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.8	-11.6	179.1	61.9	0	0	0	0	114.1	S40	S40-T43 WeakPolarHBondContact CB-OG1 3.46Å; S40-T43 PolarHBondContact O-N 3.48Å; S40-T43 VanDerWaalsContact O-N 3.12Å; S40-T43 PolarHBondContact O-OG1 3.05Å
44	S	86.3	Confident	89.6	Confident	15 Å²	15	59.9 Å²	59.9	11%	0.105	32%	0.317	C	S	.	.			trans	-68.2	146.7	-175.9	178.6	0	0	0	0	114.2	D37 S40 F46	D37-S44 VanDerWaalsContact CA-CB 3.49Å; D37-S44 WeakPolarHBondContact CA-OG 3.48Å; D37-S44 WeakPolarHBondContact CB-OG 3.26Å; D37-S44 PolarHBondContact N-OG 2.78Å; S40-S44 PolarHBondContact O-N 3.33Å; S40-S44 VanDerWaalsContact O-N 3.08Å; S44-F46 VanDerWaalsContact C-N 3.34Å; S44-F46 PolarHBondContact OG-N 2.82Å
45	S	85.1	Confident	89.5	Confident	45 Å²	45	61.2 Å²	61.2	32%	0.315	32%	0.324	S	S	.	.	S	Bend	trans	-76.9	-12.7	176.2	124.5	0	0	0	0	114.4	E33 T47 T48	E33-S45 PolarHBondContact OE2-OG 2.9Å; S45-T47 PolarHBondContact O-N 2.91Å; S45-T48 WeakPolarHBondContact O-CB 3.46Å; S45-T48 WeakPolarHBondContact O-CG2 3.36Å; S45-T48 PolarHBondContact O-N 3.19Å; S45-T48 PolarHBondContact O-OG1 2.94Å
46	F	88.8	Confident	89.5	Confident	1 Å²	1	58.4 Å²	58.4	0%	0.004	31%	0.307	C	S	.	.	H	α-helix	trans	-50.2	-32.9	-165.8	177.8	-95.6	0	0	0	115.4	F30 E33 T34 D37 S44 T48 R49 L50 R211 F214 Q215	F30-F46 HydrophobicContact CD2-CE2 4.2Å; F30-F46 AromaticContact CE2-CE2 3.94Å; F30-F46 HydrophobicContact CE2-CE2 3.94Å; F30-F46 HydrophobicContact CE2-CZ 4.24Å; E33-F46 HydrophobicContact CB-CD2 4.03Å; T34-F46 WeakPolarHBondContact OG1-CE2 3.29Å; D37-F46 HydrophobicContact CB-CB 3.73Å; D37-F46 HydrophobicContact CB-CG 4.1Å; S44-F46 VanDerWaalsContact C-N 3.34Å; S44-F46 PolarHBondContact OG-N 2.82Å; F46-T48 PolarHBondContact O-N 2.65Å; F46-R49 WeakPolarHBondContact O-CB 3.17Å; F46-R49 PolarHBondContact O-N 3.34Å; F46-L50 HydrophobicContact CD1-CD2 4.24Å; F46-L50 HydrophobicContact CE1-CD2 3.59Å; F46-L50 HydrophobicContact CZ-CD2 4.14Å; F46-L50 PolarHBondContact O-N 3.3Å; F46-R211 HydrophobicContact CD1-CG 4.47Å; F46-R211 HydrophobicContact CE1-CG 4.37Å; F46-F214 HydrophobicContact CE1-CD1 4.22Å; F46-F214 HydrophobicContact CZ-CD1 4.1Å; F46-F214 HydrophobicContact CZ-CE1 4.16Å; F46-Q215 HydrophobicContact CE1-CG 3.67Å; F46-Q215 VanDerWaalsContact CE1-NE2 3.32Å; F46-Q215 HydrophobicContact CE2-CG 4.17Å; F46-Q215 HydrophobicContact CZ-CG 3.42Å; F46-Q215 VanDerWaalsContact CZ-CG 3.42Å
47	T	85.9	Confident	89.4	Confident	63 Å²	63	53.9 Å²	53.9	39%	0.387	29%	0.285	S	S	.	.	H	α-helix	trans	-59.5	-30.3	177.1	56.5	0	0	0	0	113.1	S45 R49 L50	S45-T47 PolarHBondContact O-N 2.91Å; T47-R49 VanDerWaalsContact C-N 3.3Å; T47-R49 PolarHBondContact O-N 3.01Å; T47-L50 WeakPolarHBondContact O-CD1 3.49Å; T47-L50 WeakPolarHBondContact O-CG 3.22Å
48	T	87	Confident	89.3	Confident	95 Å²	95	56 Å²	56	58%	0.583	30%	0.299	S	S	*	.	H	α-helix	trans	-69.9	-27.2	174.5	69.4	0	0	0	0	112.6	S45 F46	S45-T48 WeakPolarHBondContact O-CB 3.46Å; S45-T48 WeakPolarHBondContact O-CG2 3.36Å; S45-T48 PolarHBondContact O-N 3.19Å; S45-T48 PolarHBondContact O-OG1 2.94Å; F46-T48 PolarHBondContact O-N 2.65Å
49	R	90	Very high	89.3	Confident	81 Å²	81	51.5 Å²	51.5	31%	0.306	29%	0.285	S	S	.	.	H	α-helix	trans	-86.6	-7.6	-176.9	-54.7	-52.4	-159.3	149.6	15.6	114.3	I25 E33 F46 T47 H51 N52 C53	I25-R49 HydrophobicContact CD1-CB 4.18Å; E33-R49 HydrophobicContact CG-CG 4.26Å; E33-R49 IonicContact OE1-CZ 3.37Å; E33-R49 IonicContact OE1-NE 3.33Å; E33-R49 PolarHBondContact OE1-NE 3.2Å; E33-R49 IonicContact OE1-NH2 2.75Å; E33-R49 PolarHBondContact OE1-NH2 3.44Å; E33-R49 IonicContact OE2-NE 3.48Å; F46-R49 WeakPolarHBondContact O-CB 3.17Å; F46-R49 PolarHBondContact O-N 3.34Å; T47-R49 VanDerWaalsContact C-N 3.3Å; T47-R49 PolarHBondContact O-N 3.01Å; R49-H51 VanDerWaalsContact C-N 3.28Å; R49-H51 PolarHBondContact O-N 3.25Å; R49-N52 WeakPolarHBondContact O-CA 3.4Å; R49-N52 WeakPolarHBondContact O-CB 3.5Å; R49-N52 PolarHBondContact O-N 3.48Å; R49-C53 PolarHBondContact O-N 3.09Å; R49-C53 PolarHBondContact O-SG 2.79Å
50	L	90.1	Very high	89.3	Confident	13 Å²	13	47.9 Å²	47.9	7%	0.068	27%	0.265	C	S	.	.	H	α-helix	trans	-53.5	-44.2	-177.6	-68.5	174	0	0	0	112.1	F46 T47 N52 C53 R54 W170 Y173 F214	F46-L50 HydrophobicContact CD1-CD2 4.24Å; F46-L50 HydrophobicContact CE1-CD2 3.59Å; F46-L50 HydrophobicContact CZ-CD2 4.14Å; F46-L50 PolarHBondContact O-N 3.3Å; T47-L50 WeakPolarHBondContact O-CD1 3.49Å; T47-L50 WeakPolarHBondContact O-CG 3.22Å; L50-N52 PolarHBondContact O-N 3.1Å; L50-C53 WeakPolarHBondContact O-CB 3.28Å; L50-C53 PolarHBondContact O-N 2.63Å; L50-R54 PolarHBondContact O-N 2.92Å; L50-R54 VanDerWaalsContact O-N 3.12Å; L50-W170 HydrophobicContact CB-CH2 4.2Å; L50-W170 HydrophobicContact CB-CZ3 3.85Å; L50-W170 VanDerWaalsContact O-CZ3 3.3Å; L50-W170 WeakPolarHBondContact O-CZ3 3.41Å; L50-Y173 HydrophobicContact CD1-CD1 4.18Å; L50-Y173 HydrophobicContact CD1-CE1 3.42Å; L50-Y173 VanDerWaalsContact CD1-CE1 3.42Å; L50-Y173 HydrophobicContact CD1-CE2 4.27Å; L50-Y173 VanDerWaalsContact CD1-CZ 3.49Å; L50-F214 HydrophobicContact CD2-CD1 3.5Å; L50-F214 HydrophobicContact CD2-CE1 3.34Å; L50-F214 HydrophobicContact CD2-CG 4.35Å; L50-F214 HydrophobicContact CD2-CZ 4.09Å
51	H	90.1	Very high	89.3	Confident	102 Å²	102	46.5 Å²	46.5	47%	0.472	25%	0.253	S	S	.	.	H	α-helix	trans	-65.5	-38.8	178.9	-125.8	99.5	0	0	0	112.2	R49 C53 R54 N55	R49-H51 VanDerWaalsContact C-N 3.28Å; R49-H51 PolarHBondContact O-N 3.25Å; H51-C53 VanDerWaalsContact C-N 3.32Å; H51-C53 PolarHBondContact O-N 3.01Å; H51-R54 PolarHBondContact O-N 2.83Å; H51-N55 WeakPolarHBondContact O-CB 3.49Å; H51-N55 PolarHBondContact O-N 2.91Å; H51-N55 PolarHBondContact O-ND2 3.13Å
52	N	92.6	Very high	89.6	Confident	23 Å²	23	49.9 Å²	49.9	12%	0.123	27%	0.266	C	S	.	.	H	α-helix	trans	-59.2	-40.9	173	-63.2	64.2	0	0	0	111.9	P22 D23 Q24 I25 R49 L50 N55 T56	P22-N52 PolarHBondContact O-ND2 3.26Å; D23-N52 WeakPolarHBondContact O-CA 3.47Å; Q24-N52 PolarHBondContact N-ND2 2.9Å; Q24-N52 PolarHBondContact O-ND2 3.29Å; I25-N52 HydrophobicContact CB-CB 3.99Å; I25-N52 HydrophobicContact CG2-CB 4.34Å; R49-N52 WeakPolarHBondContact O-CA 3.4Å; R49-N52 WeakPolarHBondContact O-CB 3.5Å; R49-N52 PolarHBondContact O-N 3.48Å; L50-N52 PolarHBondContact O-N 3.1Å; N52-N55 PolarHBondContact O-N 2.94Å; N52-T56 WeakPolarHBondContact O-CB 3.15Å; N52-T56 PolarHBondContact O-N 2.91Å; N52-T56 PolarHBondContact O-OG1 3.35Å
53	C	93.3	Very high	90	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-59.5	-48.2	173.7	-62.3	0	0	0	0	111.8	I25 R49 L50 H51 N55 T56 V57 F214 M218	I25-C53 HydrophobicContact CG2-CB 4.42Å; R49-C53 PolarHBondContact O-N 3.09Å; R49-C53 PolarHBondContact O-SG 2.79Å; L50-C53 WeakPolarHBondContact O-CB 3.28Å; L50-C53 PolarHBondContact O-N 2.63Å; H51-C53 VanDerWaalsContact C-N 3.32Å; H51-C53 PolarHBondContact O-N 3.01Å; C53-N55 VanDerWaalsContact C-N 3.33Å; C53-N55 PolarHBondContact O-N 3.01Å; C53-T56 PolarHBondContact O-N 3.33Å; C53-V57 WeakPolarHBondContact O-CG2 3.45Å; C53-V57 PolarHBondContact O-N 3.28Å; C53-F214 HydrophobicContact CB-CE1 4.1Å; C53-F214 HydrophobicContact CB-CZ 3.81Å; C53-M218 HydrophobicContact CB-CE 3.77Å; C53-M218 HydrophobicContact CB-SD 4.18Å
54	R	92	Very high	90.3	Very high	85 Å²	85	42.3 Å²	42.3	32%	0.321	22%	0.223	S	C	.	.	H	α-helix	trans	-63.3	-35.9	179	178.4	176.7	172.6	178.4	-3.7	112.9	L50 H51 T58 F166 W170 E174	L50-R54 PolarHBondContact O-N 2.92Å; L50-R54 VanDerWaalsContact O-N 3.12Å; H51-R54 PolarHBondContact O-N 2.83Å; R54-T58 WeakPolarHBondContact O-CB 3.32Å; R54-T58 PolarHBondContact O-N 3.36Å; R54-T58 VanDerWaalsContact O-N 3.14Å; R54-T58 PolarHBondContact O-OG1 3.37Å; R54-F166 HydrophobicContact CB-CE1 4.42Å; R54-F166 HydrophobicContact CB-CZ 4.33Å; R54-W170 HydrophobicContact CB-CE3 4.01Å; R54-W170 HydrophobicContact CB-CH2 4.36Å; R54-W170 HydrophobicContact CB-CZ3 3.85Å; R54-W170 HydrophobicContact CG-CE3 4.45Å; R54-W170 VanDerWaalsContact NH1-CZ2 3.32Å; R54-E174 IonicContact NH1-OE1 3.88Å
55	N	92.4	Very high	90.5	Very high	49 Å²	49	44.1 Å²	44.1	26%	0.262	23%	0.231	S	C	.	.	H	α-helix	trans	-69.5	-48.1	174.8	-69	-13.5	0	0	0	111.4	D23 H51 N52 C53 V57 T58 L59	D23-N55 WeakPolarHBondContact O-CB 3.48Å; D23-N55 PolarHBondContact O-ND2 3.45Å; H51-N55 WeakPolarHBondContact O-CB 3.49Å; H51-N55 PolarHBondContact O-N 2.91Å; H51-N55 PolarHBondContact O-ND2 3.13Å; N52-N55 PolarHBondContact O-N 2.94Å; C53-N55 VanDerWaalsContact C-N 3.33Å; C53-N55 PolarHBondContact O-N 3.01Å; N55-V57 VanDerWaalsContact C-N 3.35Å; N55-V57 PolarHBondContact O-N 3.47Å; N55-T58 PolarHBondContact O-N 3.38Å; N55-T58 VanDerWaalsContact O-N 3.09Å; N55-L59 PolarHBondContact O-N 2.92Å
56	T	93.8	Very high	90.9	Very high	10 Å²	10	48.2 Å²	48.2	6%	0.061	25%	0.245	C	C	.	.	H	α-helix	trans	-53.1	-49.6	173.4	-73.2	0	0	0	0	111.1	I25 N52 C53 T58 L59 L60 M218	I25-T56 PolarHBondContact N-OG1 2.78Å; I25-T56 PolarHBondContact O-OG1 3.24Å; N52-T56 WeakPolarHBondContact O-CB 3.15Å; N52-T56 PolarHBondContact O-N 2.91Å; N52-T56 PolarHBondContact O-OG1 3.35Å; C53-T56 PolarHBondContact O-N 3.33Å; T56-T58 VanDerWaalsContact C-N 3.31Å; T56-T58 PolarHBondContact O-N 2.8Å; T56-L59 PolarHBondContact O-N 3.47Å; T56-L60 HydrophobicContact CG2-CD1 3.69Å; T56-L60 HydrophobicContact CG2-CG 4.33Å; T56-L60 WeakPolarHBondContact O-CB 3.11Å; T56-L60 VanDerWaalsContact O-CG 3.23Å; T56-L60 WeakPolarHBondContact O-CG 3.3Å; T56-L60 PolarHBondContact O-N 2.98Å; T56-M218 HydrophobicContact CG2-CE 4.3Å
57	V	92.5	Very high	91	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-58.9	-40.6	177.1	169.7	0	0	0	0	112.2	C53 N55 L60 E61 K163 F166 M218 Y221	C53-V57 WeakPolarHBondContact O-CG2 3.45Å; C53-V57 PolarHBondContact O-N 3.28Å; N55-V57 VanDerWaalsContact C-N 3.35Å; N55-V57 PolarHBondContact O-N 3.47Å; V57-L60 PolarHBondContact O-N 2.81Å; V57-E61 PolarHBondContact O-N 3.45Å; V57-K163 HydrophobicContact CG1-CD 3.86Å; V57-K163 HydrophobicContact CG1-CG 3.94Å; V57-F166 HydrophobicContact CB-CD1 4.28Å; V57-F166 HydrophobicContact CB-CE1 3.97Å; V57-F166 HydrophobicContact CB-CZ 4.23Å; V57-F166 HydrophobicContact CG1-CD1 3.84Å; V57-F166 HydrophobicContact CG1-CE1 4Å; V57-F166 HydrophobicContact CG1-CG 4.4Å; V57-F166 HydrophobicContact CG2-CD1 4.13Å; V57-F166 HydrophobicContact CG2-CD2 4.1Å; V57-F166 HydrophobicContact CG2-CE1 3.88Å; V57-F166 HydrophobicContact CG2-CE2 3.83Å; V57-F166 HydrophobicContact CG2-CG 4.24Å; V57-F166 HydrophobicContact CG2-CZ 3.72Å; V57-M218 HydrophobicContact CG2-CE 4.02Å; V57-M218 HydrophobicContact CG2-SD 3.52Å; V57-M218 VanDerWaalsContact CG2-SD 3.52Å; V57-Y221 HydrophobicContact CB-CE1 4.19Å; V57-Y221 HydrophobicContact CG1-CD1 4.43Å; V57-Y221 HydrophobicContact CG1-CD2 4.49Å; V57-Y221 HydrophobicContact CG1-CE1 3.99Å; V57-Y221 HydrophobicContact CG1-CE2 4.05Å; V57-Y221 HydrophobicContact CG2-CD1 3.77Å; V57-Y221 HydrophobicContact CG2-CE1 3.86Å; V57-Y221 HydrophobicContact CG2-CG 4.35Å; V57-Y221 PolarHBondContact O-OH 3.35Å
58	T	90.3	Very high	91.3	Very high	46 Å²	46	51.4 Å²	51.4	28%	0.282	26%	0.255	S	S	.	.	H	α-helix	trans	-69.1	-41	-177.9	-56.2	0	0	0	0	112.1	R54 N55 T56 E61 E62 K163	R54-T58 WeakPolarHBondContact O-CB 3.32Å; R54-T58 PolarHBondContact O-N 3.36Å; R54-T58 VanDerWaalsContact O-N 3.14Å; R54-T58 PolarHBondContact O-OG1 3.37Å; N55-T58 PolarHBondContact O-N 3.38Å; N55-T58 VanDerWaalsContact O-N 3.09Å; T56-T58 VanDerWaalsContact C-N 3.31Å; T56-T58 PolarHBondContact O-N 2.8Å; T58-E61 PolarHBondContact O-N 2.55Å; T58-E62 WeakPolarHBondContact O-CG 3.47Å; T58-E62 PolarHBondContact O-N 3.41Å; T58-E62 VanDerWaalsContact O-N 3.15Å; T58-K163 PolarHBondContact OG1-NZ 2.87Å
59	L	91.1	Very high	91.6	Very high	62 Å²	62	50 Å²	50	33%	0.325	25%	0.246	S	C	.	.	H	α-helix	trans	-71.3	-31.1	176.2	-66.2	169.9	0	0	0	112.7	Q24 N55 T56 A63	Q24-L59 HydrophobicContact CG-CD1 3.88Å; Q24-L59 VanDerWaalsContact NE2-CD1 3.27Å; N55-L59 PolarHBondContact O-N 2.92Å; T56-L59 PolarHBondContact O-N 3.47Å; L59-A63 WeakPolarHBondContact O-CB 3.2Å; L59-A63 PolarHBondContact O-N 2.91Å
60	L	92	Very high	91.8	Very high	39 Å²	39	48.5 Å²	48.5	20%	0.204	25%	0.251	C	S	.	.	H	α-helix	trans	-67.5	-40.8	173.1	-71.7	172.2	0	0	0	111.9	T56 V57 A63 L64 Y221 L222 V225	T56-L60 HydrophobicContact CG2-CD1 3.69Å; T56-L60 HydrophobicContact CG2-CG 4.33Å; T56-L60 WeakPolarHBondContact O-CB 3.11Å; T56-L60 VanDerWaalsContact O-CG 3.23Å; T56-L60 WeakPolarHBondContact O-CG 3.3Å; T56-L60 PolarHBondContact O-N 2.98Å; V57-L60 PolarHBondContact O-N 2.81Å; L60-A63 PolarHBondContact O-N 3.02Å; L60-L64 WeakPolarHBondContact O-CB 3.02Å; L60-L64 WeakPolarHBondContact O-CG 3.35Å; L60-L64 PolarHBondContact O-N 3.08Å; L60-Y221 HydrophobicContact CB-CE1 4.2Å; L60-Y221 HydrophobicContact CD1-CE1 4Å; L60-L222 HydrophobicContact CD1-CD2 4.13Å; L60-V225 HydrophobicContact CD1-CG1 4.29Å; L60-V225 HydrophobicContact CD2-CG1 4.15Å
61	E	90.6	Very high	92	Very high	22 Å²	22	48.9 Å²	48.9	10%	0.103	25%	0.253	C	S	.	.	H	α-helix	trans	-59.6	-47.3	171.5	-76.9	-53.8	135.9	0	0	112.5	V57 T58 A63 L64 D65 V158 K163 Y221	V57-E61 PolarHBondContact O-N 3.45Å; T58-E61 PolarHBondContact O-N 2.55Å; E61-A63 VanDerWaalsContact C-N 3.32Å; E61-A63 PolarHBondContact O-N 3.18Å; E61-L64 PolarHBondContact O-N 3.46Å; E61-L64 VanDerWaalsContact O-N 3.1Å; E61-D65 PolarHBondContact O-N 2.94Å; E61-V158 WeakPolarHBondContact OE2-CG1 3.37Å; E61-K163 HydrophobicContact CG-CB 4.21Å; E61-K163 HydrophobicContact CG-CD 3.82Å; E61-Y221 VanDerWaalsContact OE1-CE2 3.24Å; E61-Y221 WeakPolarHBondContact OE1-CE2 3.48Å; E61-Y221 PolarHBondContact OE1-OH 3.45Å
62	E	90.3	Very high	92.3	Very high	106 Å²	106	47.5 Å²	47.5	50%	0.495	25%	0.246	S	C	.	.	H	α-helix	trans	-61.3	-40	179.6	-73.4	176	-172.7	0	0	112.1	T58 Q66	T58-E62 WeakPolarHBondContact O-CG 3.47Å; T58-E62 PolarHBondContact O-N 3.41Å; T58-E62 VanDerWaalsContact O-N 3.15Å; E62-Q66 WeakPolarHBondContact O-CB 3.45Å; E62-Q66 VanDerWaalsContact O-CG 3.24Å; E62-Q66 WeakPolarHBondContact O-CG 3.3Å; E62-Q66 PolarHBondContact O-N 2.93Å; E62-Q66 PolarHBondContact O-NE2 3.47Å
63	A	91.1	Very high	92.4	Very high	30 Å²	30	53.3 Å²	53.3	25%	0.248	27%	0.271	C	S	.	.	H	α-helix	trans	-66.8	-37.4	173.6	0	0	0	0	0	112.3	L59 L60 E61 D67	L59-A63 WeakPolarHBondContact O-CB 3.2Å; L59-A63 PolarHBondContact O-N 2.91Å; L60-A63 PolarHBondContact O-N 3.02Å; E61-A63 VanDerWaalsContact C-N 3.32Å; E61-A63 PolarHBondContact O-N 3.18Å; A63-D67 WeakPolarHBondContact O-CB 3.12Å; A63-D67 PolarHBondContact O-N 3.49Å
64	L	92	Very high	92.5	Very high	2 Å²	2	56.9 Å²	56.9	1%	0.01	29%	0.292	C	S	.	.	H	α-helix	trans	-72.2	-35.8	-180	-73.9	171	0	0	0	113.4	L60 E61 R68 L155 V158 L162 V225 I228	L60-L64 WeakPolarHBondContact O-CB 3.02Å; L60-L64 WeakPolarHBondContact O-CG 3.35Å; L60-L64 PolarHBondContact O-N 3.08Å; E61-L64 PolarHBondContact O-N 3.46Å; E61-L64 VanDerWaalsContact O-N 3.1Å; L64-R68 WeakPolarHBondContact O-CB 3.45Å; L64-R68 PolarHBondContact O-N 3.05Å; L64-L155 HydrophobicContact CD2-CD2 3.97Å; L64-V158 HydrophobicContact CB-CG1 3.67Å; L64-L162 HydrophobicContact CD1-CD2 4.27Å; L64-V225 HydrophobicContact CD1-CG1 4.39Å; L64-V225 HydrophobicContact CD1-CG2 3.96Å; L64-I228 HydrophobicContact CD2-CG2 3.56Å
65	D	90.4	Very high	92.7	Very high	52 Å²	52	53.8 Å²	53.8	28%	0.278	28%	0.281	S	S	.	.	H	α-helix	trans	-72.8	-31.9	174.7	-158.1	43.6	0	0	0	112	E61 T69	E61-D65 PolarHBondContact O-N 2.94Å; D65-T69 WeakPolarHBondContact O-CB 3.36Å; D65-T69 PolarHBondContact O-N 3.44Å; D65-T69 PolarHBondContact O-OG1 2.86Å
66	Q	91.7	Very high	92.9	Very high	132 Å²	132	59.5 Å²	59.5	62%	0.617	30%	0.304	S	S	*	.	H	α-helix	trans	-63.5	-52.1	169.8	-75.2	172.7	65.8	0	0	111.5	E62 R68 T69 A70	E62-Q66 WeakPolarHBondContact O-CB 3.45Å; E62-Q66 VanDerWaalsContact O-CG 3.24Å; E62-Q66 WeakPolarHBondContact O-CG 3.3Å; E62-Q66 PolarHBondContact O-N 2.93Å; E62-Q66 PolarHBondContact O-NE2 3.47Å; Q66-R68 PolarHBondContact O-N 3.35Å; Q66-T69 WeakPolarHBondContact O-CB 3.49Å; Q66-T69 PolarHBondContact O-N 3.13Å; Q66-A70 PolarHBondContact O-N 3.24Å
67	D	91.9	Very high	93.1	Very high	61 Å²	61	62.4 Å²	62.4	33%	0.326	32%	0.324	S	S	.	.	H	α-helix	trans	-60.3	-43.8	176.6	-81.8	-22.9	0	0	0	111.8	A63 T69 A70 L71 K232	A63-D67 WeakPolarHBondContact O-CB 3.12Å; A63-D67 PolarHBondContact O-N 3.49Å; D67-T69 VanDerWaalsContact C-N 3.32Å; D67-T69 PolarHBondContact O-N 2.91Å; D67-A70 PolarHBondContact O-N 3.43Å; D67-L71 WeakPolarHBondContact O-CB 3.27Å; D67-L71 VanDerWaalsContact O-CG 3.27Å; D67-L71 WeakPolarHBondContact O-CG 3.3Å; D67-L71 PolarHBondContact O-N 3.12Å; D67-K232 VanDerWaalsContact OD2-CE 3.29Å; D67-K232 WeakPolarHBondContact OD2-CE 3.42Å; D67-K232 IonicContact OD2-NZ 3.2Å; D67-K232 PolarHBondContact OD2-NZ 2.91Å
68	R	92.5	Very high	93.3	Very high	69 Å²	69	63.2 Å²	63.2	26%	0.26	33%	0.329	S	S	.	.	H	α-helix	trans	-56.4	-45.8	174.1	174.7	-178.9	164.4	80.1	8.2	111.1	L64 Q66 Q72 L151 L155	L64-R68 WeakPolarHBondContact O-CB 3.45Å; L64-R68 PolarHBondContact O-N 3.05Å; Q66-R68 PolarHBondContact O-N 3.35Å; R68-Q72 WeakPolarHBondContact O-CG 3.42Å; R68-Q72 PolarHBondContact O-N 3.2Å; R68-L151 HydrophobicContact CG-CD2 4.15Å; R68-L151 PolarHBondContact NH1-O 2.93Å; R68-L155 HydrophobicContact CB-CD1 4.38Å; R68-L155 PolarHBondContact NH1-O 3.23Å
69	T	93.1	Very high	93.6	Very high	67 Å²	67	64.8 Å²	64.8	41%	0.411	33%	0.332	S	S	.	.	H	α-helix	trans	-64.4	-40.9	176.1	-68.7	0	0	0	0	112.6	D65 Q66 D67 K73	D65-T69 WeakPolarHBondContact O-CB 3.36Å; D65-T69 PolarHBondContact O-N 3.44Å; D65-T69 PolarHBondContact O-OG1 2.86Å; Q66-T69 WeakPolarHBondContact O-CB 3.49Å; Q66-T69 PolarHBondContact O-N 3.13Å; D67-T69 VanDerWaalsContact C-N 3.32Å; D67-T69 PolarHBondContact O-N 2.91Å; T69-K73 WeakPolarHBondContact O-CG 3.18Å; T69-K73 PolarHBondContact O-N 3Å
70	A	94.4	Very high	93.9	Very high	48 Å²	48	64.7 Å²	64.7	40%	0.397	34%	0.34	S	S	.	.	H	α-helix	trans	-64.9	-48.4	176.7	0	0	0	0	0	111.9	Q66 D67 Q72 K73 V74	Q66-A70 PolarHBondContact O-N 3.24Å; D67-A70 PolarHBondContact O-N 3.43Å; A70-Q72 VanDerWaalsContact C-N 3.33Å; A70-Q72 PolarHBondContact O-N 3.15Å; A70-K73 WeakPolarHBondContact O-CB 3.26Å; A70-K73 PolarHBondContact O-N 3.07Å; A70-K73 VanDerWaalsContact O-N 3.08Å; A70-V74 PolarHBondContact O-N 3.31Å
71	L	94.8	Very high	94.1	Very high	21 Å²	21	67.3 Å²	67.3	11%	0.11	35%	0.354	C	S	.	.	H	α-helix	trans	-64.1	-34.8	179.7	-70.2	168.1	0	0	0	112.3	D67 V74 K75 L147 L150 L151 L155 L236	D67-L71 WeakPolarHBondContact O-CB 3.27Å; D67-L71 VanDerWaalsContact O-CG 3.27Å; D67-L71 WeakPolarHBondContact O-CG 3.3Å; D67-L71 PolarHBondContact O-N 3.12Å; L71-V74 PolarHBondContact O-N 3.19Å; L71-K75 VanDerWaalsContact O-CB 3.23Å; L71-K75 WeakPolarHBondContact O-CB 3.17Å; L71-K75 PolarHBondContact O-N 3.01Å; L71-L147 HydrophobicContact CD2-CD2 3.77Å; L71-L150 HydrophobicContact CD1-CD2 3.87Å; L71-L151 HydrophobicContact CB-CD1 4.07Å; L71-L151 HydrophobicContact CB-CD2 3.98Å; L71-L151 HydrophobicContact CB-CG 4.31Å; L71-L155 HydrophobicContact CD1-CD1 3.79Å; L71-L236 HydrophobicContact CD2-CD2 3.61Å
72	Q	94.6	Very high	94.5	Very high	73 Å²	73	68.9 Å²	68.9	34%	0.341	36%	0.359	S	S	.	.	H	α-helix	trans	-64.5	-38.1	171.7	-69.3	-76	10.9	0	0	112.2	R68 A70 K76 L151	R68-Q72 WeakPolarHBondContact O-CG 3.42Å; R68-Q72 PolarHBondContact O-N 3.2Å; A70-Q72 VanDerWaalsContact C-N 3.33Å; A70-Q72 PolarHBondContact O-N 3.15Å; Q72-K76 PolarHBondContact O-N 3.42Å; Q72-L151 HydrophobicContact CG-CD1 4.05Å; Q72-L151 HydrophobicContact CG-CD2 3.91Å
73	K	96.1	Very high	94.8	Very high	146 Å²	146	68.2 Å²	68.2	64%	0.635	36%	0.359	S	S	*	.	H	α-helix	trans	-64.7	-48.3	174.3	-69.9	172.7	-178.8	178.6	0	111.1	T69 A70 K75 K76 S77	T69-K73 WeakPolarHBondContact O-CG 3.18Å; T69-K73 PolarHBondContact O-N 3Å; A70-K73 WeakPolarHBondContact O-CB 3.26Å; A70-K73 PolarHBondContact O-N 3.07Å; A70-K73 VanDerWaalsContact O-N 3.08Å; K73-K75 VanDerWaalsContact C-N 3.34Å; K73-K75 PolarHBondContact O-N 3.32Å; K73-K76 PolarHBondContact O-N 3.45Å; K73-K76 VanDerWaalsContact O-N 3.15Å; K73-S77 PolarHBondContact O-N 3.14Å; K73-S77 PolarHBondContact O-OG 2.87Å
74	V	95.8	Very high	95.1	Very high	74 Å²	74	70.1 Å²	70.1	45%	0.448	37%	0.37	S	S	.	.	H	α-helix	trans	-55.1	-50.2	175.1	173.9	0	0	0	0	110.5	A70 L71 K76 S77 V78 L147	A70-V74 PolarHBondContact O-N 3.31Å; L71-V74 PolarHBondContact O-N 3.19Å; V74-K76 VanDerWaalsContact C-N 3.33Å; V74-K76 PolarHBondContact O-N 2.92Å; V74-S77 PolarHBondContact O-N 3.46Å; V74-V78 HydrophobicContact CG1-CG2 4.19Å; V74-V78 WeakPolarHBondContact O-CG2 3.48Å; V74-V78 PolarHBondContact O-N 3.07Å; V74-L147 HydrophobicContact CG1-CD1 4.01Å
75	K	95.8	Very high	95.3	Very high	20 Å²	20	70.5 Å²	70.5	9%	0.087	38%	0.375	C	S	.	.	H	α-helix	trans	-57.8	-40.6	177	176.7	179	172.5	-177.5	0	113.2	L71 K73 K79 L147 D148 L151	L71-K75 VanDerWaalsContact O-CB 3.23Å; L71-K75 WeakPolarHBondContact O-CB 3.17Å; L71-K75 PolarHBondContact O-N 3.01Å; K73-K75 VanDerWaalsContact C-N 3.34Å; K73-K75 PolarHBondContact O-N 3.32Å; K75-K79 WeakPolarHBondContact O-CB 3.43Å; K75-K79 WeakPolarHBondContact O-CG 3.31Å; K75-K79 PolarHBondContact O-N 2.8Å; K75-L147 HydrophobicContact CB-CB 4.27Å; K75-L147 HydrophobicContact CB-CD1 4.1Å; K75-L147 HydrophobicContact CD-CB 4.36Å; K75-L147 HydrophobicContact CG-CB 4.38Å; K75-D148 WeakPolarHBondContact CE-OD1 3.47Å; K75-D148 WeakPolarHBondContact CE-OD2 3.45Å; K75-D148 IonicContact NZ-OD1 3.35Å; K75-D148 PolarHBondContact NZ-OD1 3.33Å; K75-D148 IonicContact NZ-OD2 2.55Å; K75-D148 PolarHBondContact NZ-OD2 2.97Å; K75-L151 HydrophobicContact CB-CD1 4.28Å; K75-L151 HydrophobicContact CD-CD1 3.6Å
76	K	96.9	Very high	95.6	Very high	169 Å²	169	71 Å²	71	74%	0.735	38%	0.375	S	S	*	.	H	α-helix	trans	-62.5	-47.1	176.1	-173	-178.7	177.8	-175.8	0	110.9	Q72 K73 V74 K79 A80	Q72-K76 PolarHBondContact O-N 3.42Å; K73-K76 PolarHBondContact O-N 3.45Å; K73-K76 VanDerWaalsContact O-N 3.15Å; V74-K76 VanDerWaalsContact C-N 3.33Å; V74-K76 PolarHBondContact O-N 2.92Å; K76-K79 PolarHBondContact O-N 3.15Å; K76-A80 PolarHBondContact O-N 3.47Å
77	S	96.9	Very high	95.8	Very high	71 Å²	71	69.4 Å²	69.4	50%	0.497	37%	0.371	S	S	.	.	H	α-helix	trans	-63.8	-43.6	177.6	-57.4	0	0	0	0	112.3	K73 V74 K79 A80 I81	K73-S77 PolarHBondContact O-N 3.14Å; K73-S77 PolarHBondContact O-OG 2.87Å; V74-S77 PolarHBondContact O-N 3.46Å; S77-K79 PolarHBondContact O-N 2.83Å; S77-A80 WeakPolarHBondContact O-CB 3.46Å; S77-A80 PolarHBondContact O-N 3.25Å; S77-I81 WeakPolarHBondContact O-CG1 3.26Å; S77-I81 PolarHBondContact O-N 2.96Å
78	V	96.7	Very high	96.1	Very high	18 Å²	18	71.3 Å²	71.3	11%	0.109	38%	0.378	C	S	.	.	H	α-helix	trans	-65	-37.6	178.2	175.1	0	0	0	0	111.8	V74 I81 Y82 L139 V143 I144	V74-V78 HydrophobicContact CG1-CG2 4.19Å; V74-V78 WeakPolarHBondContact O-CG2 3.48Å; V74-V78 PolarHBondContact O-N 3.07Å; V78-I81 PolarHBondContact O-N 3.44Å; V78-Y82 WeakPolarHBondContact O-CB 3.35Å; V78-Y82 PolarHBondContact O-N 3.41Å; V78-L139 HydrophobicContact CG1-CD1 3.74Å; V78-L139 HydrophobicContact CG1-CD2 4.17Å; V78-L139 HydrophobicContact CG1-CG 3.86Å; V78-V143 HydrophobicContact CG1-CB 4.36Å; V78-V143 HydrophobicContact CG1-CG1 4.05Å; V78-V143 HydrophobicContact CG2-CG1 4.23Å; V78-I144 HydrophobicContact CG1-CD1 4.1Å; V78-I144 HydrophobicContact CG1-CG1 3.53Å
79	K	96.8	Very high	96.3	Very high	78 Å²	78	68.1 Å²	68.1	34%	0.339	37%	0.366	S	S	.	.	H	α-helix	trans	-67	-35.9	172.4	-75	-164.5	177.9	-163.1	0	112.9	K75 K76 S77 Y82 N83 I144 D148	K75-K79 WeakPolarHBondContact O-CB 3.43Å; K75-K79 WeakPolarHBondContact O-CG 3.31Å; K75-K79 PolarHBondContact O-N 2.8Å; K76-K79 PolarHBondContact O-N 3.15Å; S77-K79 PolarHBondContact O-N 2.83Å; K79-Y82 PolarHBondContact O-N 2.62Å; K79-N83 WeakPolarHBondContact O-CB 3.34Å; K79-N83 VanDerWaalsContact O-CG 3.25Å; K79-N83 PolarHBondContact O-N 2.87Å; K79-N83 PolarHBondContact O-OD1 3.02Å; K79-I144 HydrophobicContact CD-CG2 4.43Å; K79-I144 HydrophobicContact CG-CD1 4.04Å; K79-I144 HydrophobicContact CG-CG1 4.33Å; K79-I144 HydrophobicContact CG-CG2 4.19Å; K79-D148 VanDerWaalsContact CE-OD2 3.28Å; K79-D148 WeakPolarHBondContact CE-OD2 3.24Å; K79-D148 IonicContact NZ-OD2 2.64Å; K79-D148 PolarHBondContact NZ-OD2 2.86Å
80	A	97.6	Very high	96.4	Very high	60 Å²	60	69.4 Å²	69.4	50%	0.496	37%	0.367	S	S	.	.	H	α-helix	trans	-62.1	-48.6	173.1	0	0	0	0	0	111.1	K76 S77 Y82 N83 S84	K76-A80 PolarHBondContact O-N 3.47Å; S77-A80 WeakPolarHBondContact O-CB 3.46Å; S77-A80 PolarHBondContact O-N 3.25Å; A80-Y82 PolarHBondContact O-N 3.26Å; A80-N83 PolarHBondContact O-N 3.09Å; A80-S84 PolarHBondContact O-N 3.22Å; A80-S84 PolarHBondContact O-OG 3.3Å
81	I	96.6	Very high	96.5	Very high	95 Å²	95	72 Å²	72	49%	0.487	38%	0.375	S	S	.	.	H	α-helix	trans	-57.1	-46.6	176.3	-66.4	164.3	0	0	0	111.3	S77 V78 S84 G85 L139	S77-I81 WeakPolarHBondContact O-CG1 3.26Å; S77-I81 PolarHBondContact O-N 2.96Å; V78-I81 PolarHBondContact O-N 3.44Å; I81-S84 PolarHBondContact O-OG 2.91Å; I81-S84 VanDerWaalsContact O-OG 3.08Å; I81-G85 PolarHBondContact O-N 3.47Å; I81-L139 HydrophobicContact CB-CD2 4.4Å; I81-L139 HydrophobicContact CG2-CD2 3.84Å
82	Y	97.6	Very high	96.5	Very high	54 Å²	54	73.1 Å²	73.1	21%	0.212	38%	0.379	C	S	.	.	H	α-helix	trans	-61.1	-48.6	178.3	174.8	-104.3	0	0	0	112.1	V78 K79 A80 G85 Q86 L136 I144	V78-Y82 WeakPolarHBondContact O-CB 3.35Å; V78-Y82 PolarHBondContact O-N 3.41Å; K79-Y82 PolarHBondContact O-N 2.62Å; A80-Y82 PolarHBondContact O-N 3.26Å; Y82-G85 PolarHBondContact O-N 3.49Å; Y82-Q86 HydrophobicContact CD1-CG 4.42Å; Y82-Q86 HydrophobicContact CD2-CG 4.35Å; Y82-Q86 HydrophobicContact CE1-CG 3.95Å; Y82-Q86 HydrophobicContact CE2-CG 3.84Å; Y82-Q86 WeakPolarHBondContact O-CG 3.35Å; Y82-Q86 PolarHBondContact O-N 3.16Å; Y82-L136 HydrophobicContact CD2-CB 4.08Å; Y82-L136 HydrophobicContact CD2-CD2 4.36Å; Y82-L136 WeakPolarHBondContact CD2-O 3.43Å; Y82-L136 HydrophobicContact CE2-CB 4.06Å; Y82-L136 WeakPolarHBondContact CE2-O 3.48Å; Y82-I144 HydrophobicContact CD1-CD1 4.14Å; Y82-I144 HydrophobicContact CD2-CD1 4.46Å; Y82-I144 HydrophobicContact CG-CD1 3.79Å
83	N	96.7	Very high	96.5	Very high	92 Å²	92	71.4 Å²	71.4	49%	0.492	37%	0.371	S	S	.	.	H	α-helix	trans	-61	-52.2	179.1	-71	14.9	0	0	0	111.3	K79 A80 G85 Q86 D87	K79-N83 WeakPolarHBondContact O-CB 3.34Å; K79-N83 VanDerWaalsContact O-CG 3.25Å; K79-N83 PolarHBondContact O-N 2.87Å; K79-N83 PolarHBondContact O-OD1 3.02Å; A80-N83 PolarHBondContact O-N 3.09Å; N83-G85 PolarHBondContact O-N 3.4Å; N83-Q86 WeakPolarHBondContact O-CB 3.46Å; N83-Q86 PolarHBondContact O-N 3.16Å; N83-D87 PolarHBondContact O-N 3.42Å
84	S	97.8	Very high	96.5	Very high	70 Å²	70	67.7 Å²	67.7	49%	0.49	36%	0.358	S	S	.	.	H	α-helix	trans	-61.6	-29.8	178.5	56.2	0	0	0	0	113.1	A80 I81 H88	A80-S84 PolarHBondContact O-N 3.22Å; A80-S84 PolarHBondContact O-OG 3.3Å; I81-S84 PolarHBondContact O-OG 2.91Å; I81-S84 VanDerWaalsContact O-OG 3.08Å; S84-H88 WeakPolarHBondContact O-CB 3.46Å; S84-H88 PolarHBondContact O-N 3.08Å
85	G	97	Very high	96.5	Very high	10 Å²	10	70.5 Å²	70.5	10%	0.103	36%	0.362	C	S	.	.	H	α-helix	trans	-70.6	-41.2	173.4	0	0	0	0	0	112.8	I81 Y82 N83 D87 H88 V89 L136	I81-G85 PolarHBondContact O-N 3.47Å; Y82-G85 PolarHBondContact O-N 3.49Å; N83-G85 PolarHBondContact O-N 3.4Å; G85-D87 VanDerWaalsContact C-N 3.34Å; G85-H88 PolarHBondContact O-N 2.87Å; G85-V89 WeakPolarHBondContact O-CG2 3.12Å; G85-V89 PolarHBondContact O-N 3.18Å; G85-L136 WeakPolarHBondContact O-CD1 3.32Å
86	Q	96.8	Very high	96.6	Very high	62 Å²	62	69.5 Å²	69.5	29%	0.29	36%	0.358	S	S	.	.	H	α-helix	trans	-62.3	-43.3	174.3	-71.3	-73.9	127	0	0	111.1	Y82 N83 H88 V89 Q90	Y82-Q86 HydrophobicContact CD1-CG 4.42Å; Y82-Q86 HydrophobicContact CD2-CG 4.35Å; Y82-Q86 HydrophobicContact CE1-CG 3.95Å; Y82-Q86 HydrophobicContact CE2-CG 3.84Å; Y82-Q86 WeakPolarHBondContact O-CG 3.35Å; Y82-Q86 PolarHBondContact O-N 3.16Å; N83-Q86 WeakPolarHBondContact O-CB 3.46Å; N83-Q86 PolarHBondContact O-N 3.16Å; Q86-H88 VanDerWaalsContact C-N 3.32Å; Q86-H88 PolarHBondContact O-N 3.15Å; Q86-V89 PolarHBondContact O-N 2.96Å; Q86-Q90 PolarHBondContact O-N 2.86Å
87	D	96.5	Very high	96.6	Very high	100 Å²	100	66.8 Å²	66.8	54%	0.535	35%	0.348	S	S	.	.	H	α-helix	trans	-62.7	-39.9	175.2	-59.7	-32.8	0	0	0	111.1	N83 G85 Q90 N91	N83-D87 PolarHBondContact O-N 3.42Å; G85-D87 VanDerWaalsContact C-N 3.34Å; D87-Q90 PolarHBondContact O-N 3.19Å; D87-N91 PolarHBondContact O-N 3.49Å; D87-N91 VanDerWaalsContact O-N 3.09Å; D87-N91 PolarHBondContact O-ND2 2.7Å
88	H	96.6	Very high	96.5	Very high	100 Å²	100	68.4 Å²	68.4	46%	0.463	35%	0.354	S	S	.	.	H	α-helix	trans	-64.7	-48	176.2	-174.2	12.1	0	0	0	112.3	S84 G85 Q86 Q90 N91 E92	S84-H88 WeakPolarHBondContact O-CB 3.46Å; S84-H88 PolarHBondContact O-N 3.08Å; G85-H88 PolarHBondContact O-N 2.87Å; Q86-H88 VanDerWaalsContact C-N 3.32Å; Q86-H88 PolarHBondContact O-N 3.15Å; H88-Q90 VanDerWaalsContact C-N 3.32Å; H88-Q90 PolarHBondContact O-N 3.2Å; H88-N91 PolarHBondContact O-N 2.83Å; H88-N91 VanDerWaalsContact O-N 3.16Å; H88-E92 IonicContact CE1-OE1 2.71Å; H88-E92 PolarHBondContact O-N 3.19Å
89	V	97.3	Very high	96.5	Very high	3 Å²	3	68.8 Å²	68.8	2%	0.018	36%	0.355	C	S	.	.	H	α-helix	trans	-55.7	-46.2	175.5	162.8	0	0	0	0	111.1	G85 Q86 N91 E92 E93 S129 L132 K133 L136	G85-V89 WeakPolarHBondContact O-CG2 3.12Å; G85-V89 PolarHBondContact O-N 3.18Å; Q86-V89 PolarHBondContact O-N 2.96Å; V89-N91 VanDerWaalsContact C-N 3.32Å; V89-N91 PolarHBondContact O-N 2.86Å; V89-E92 PolarHBondContact O-N 3.07Å; V89-E93 WeakPolarHBondContact O-CG 3.4Å; V89-E93 PolarHBondContact O-N 3.36Å; V89-S129 PolarHBondContact O-OG 3.07Å; V89-L132 HydrophobicContact CG2-CB 3.97Å; V89-L132 HydrophobicContact CG2-CD2 3.7Å; V89-L132 HydrophobicContact CG2-CG 3.63Å; V89-K133 HydrophobicContact CG1-CB 4.04Å; V89-K133 HydrophobicContact CG1-CD 3.85Å; V89-K133 HydrophobicContact CG1-CG 3.97Å; V89-K133 HydrophobicContact CG2-CB 4.31Å; V89-L136 HydrophobicContact CG2-CD1 3.77Å
90	Q	95.3	Very high	96.4	Very high	93 Å²	93	67.2 Å²	67.2	44%	0.435	35%	0.351	S	S	.	.	H	α-helix	trans	-63.5	-38.2	179.3	-172.4	62.1	76.3	0	0	112.2	Q86 D87 H88 E93 N94	Q86-Q90 PolarHBondContact O-N 2.86Å; D87-Q90 PolarHBondContact O-N 3.19Å; H88-Q90 VanDerWaalsContact C-N 3.32Å; H88-Q90 PolarHBondContact O-N 3.2Å; Q90-E93 PolarHBondContact O-N 2.87Å; Q90-N94 PolarHBondContact NE2-OD1 2.81Å; Q90-N94 WeakPolarHBondContact O-CB 3.44Å; Q90-N94 PolarHBondContact O-N 3Å; Q90-N94 PolarHBondContact O-ND2 3.29Å; Q90-N94 PolarHBondContact O-OD1 3.17Å
91	N	95.7	Very high	96.2	Very high	104 Å²	104	71.2 Å²	71.2	56%	0.556	36%	0.357	S	S	*	.	H	α-helix	trans	-69.7	-36.8	176.1	-76.5	-59.6	0	0	0	112.4	D87 H88 V89 N94 Y95	D87-N91 PolarHBondContact O-N 3.49Å; D87-N91 VanDerWaalsContact O-N 3.09Å; D87-N91 PolarHBondContact O-ND2 2.7Å; H88-N91 PolarHBondContact O-N 2.83Å; H88-N91 VanDerWaalsContact O-N 3.16Å; V89-N91 VanDerWaalsContact C-N 3.32Å; V89-N91 PolarHBondContact O-N 2.86Å; N91-N94 PolarHBondContact O-N 3.07Å; N91-Y95 VanDerWaalsContact O-CB 3.32Å; N91-Y95 WeakPolarHBondContact O-CB 3.38Å; N91-Y95 PolarHBondContact O-N 2.9Å
92	E	94.9	Very high	96	Very high	43 Å²	43	71.5 Å²	71.5	20%	0.201	36%	0.355	C	S	.	.	H	α-helix	trans	-65.2	-42.2	171.9	-70.6	-170.3	128.1	0	0	112.2	H88 V89 Y95 A96 T125 S129	H88-E92 IonicContact CE1-OE1 2.71Å; H88-E92 PolarHBondContact O-N 3.19Å; V89-E92 PolarHBondContact O-N 3.07Å; E92-Y95 PolarHBondContact O-N 2.65Å; E92-A96 VanDerWaalsContact O-CB 3.32Å; E92-A96 WeakPolarHBondContact O-CB 3.29Å; E92-A96 PolarHBondContact O-N 3.44Å; E92-T125 HydrophobicContact CB-CG2 4.18Å; E92-S129 WeakPolarHBondContact OE2-CA 3Å; E92-S129 WeakPolarHBondContact OE2-CB 3.48Å
93	E	95.3	Very high	95.7	Very high	37 Å²	37	68.9 Å²	68.9	17%	0.173	35%	0.345	C	S	.	.	H	α-helix	trans	-61.2	-43.8	175.4	-75.2	179.3	179.1	0	0	111.3	V89 Q90 A96 Q97 K133	V89-E93 WeakPolarHBondContact O-CG 3.4Å; V89-E93 PolarHBondContact O-N 3.36Å; Q90-E93 PolarHBondContact O-N 2.87Å; E93-A96 PolarHBondContact O-N 3.01Å; E93-Q97 VanDerWaalsContact O-CG 3.26Å; E93-Q97 WeakPolarHBondContact O-CG 3.42Å; E93-Q97 PolarHBondContact O-N 3.06Å; E93-K133 VanDerWaalsContact CD-NZ 3.29Å; E93-K133 IonicContact OE1-NZ 2.66Å; E93-K133 PolarHBondContact OE1-NZ 3.48Å; E93-K133 IonicContact OE2-NZ 2.72Å; E93-K133 PolarHBondContact OE2-NZ 3.25Å; E93-K133 VanDerWaalsContact OE2-NZ 3.16Å
94	N	95.6	Very high	95.4	Very high	68 Å²	68	67.2 Å²	67.2	36%	0.364	34%	0.34	S	S	.	.	H	α-helix	trans	-65.4	-47.4	177.5	-67.1	-6.8	0	0	0	112	Q90 N91 A96 Q97 V98	Q90-N94 PolarHBondContact NE2-OD1 2.81Å; Q90-N94 WeakPolarHBondContact O-CB 3.44Å; Q90-N94 PolarHBondContact O-N 3Å; Q90-N94 PolarHBondContact O-ND2 3.29Å; Q90-N94 PolarHBondContact O-OD1 3.17Å; N91-N94 PolarHBondContact O-N 3.07Å; N94-A96 VanDerWaalsContact C-N 3.34Å; N94-A96 PolarHBondContact O-N 3.14Å; N94-Q97 PolarHBondContact O-N 3.26Å; N94-V98 WeakPolarHBondContact O-CG2 3.39Å; N94-V98 PolarHBondContact O-N 3.21Å; N94-V98 VanDerWaalsContact O-N 3.08Å
95	Y	97.3	Very high	94.9	Very high	133 Å²	133	67.9 Å²	67.9	52%	0.522	34%	0.338	S	S	.	.	H	α-helix	trans	-57.2	-47.1	175.8	162.7	-95.3	0	0	0	111.3	N91 E92 Q97 V98 L99 T125	N91-Y95 VanDerWaalsContact O-CB 3.32Å; N91-Y95 WeakPolarHBondContact O-CB 3.38Å; N91-Y95 PolarHBondContact O-N 2.9Å; E92-Y95 PolarHBondContact O-N 2.65Å; Y95-Q97 PolarHBondContact O-N 2.86Å; Y95-V98 PolarHBondContact O-N 2.85Å; Y95-L99 HydrophobicContact CE1-CD2 4.07Å; Y95-L99 WeakPolarHBondContact O-CB 3.41Å; Y95-L99 PolarHBondContact O-N 3.06Å; Y95-T125 HydrophobicContact CD1-CG2 4.02Å; Y95-T125 HydrophobicContact CE1-CG2 4.27Å
96	A	97.1	Very high	94.3	Very high	0 Å²	0	70.5 Å²	70.5	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-64.4	-40.7	179.9	0	0	0	0	0	112.1	E92 E93 N94 V98 L99 D100 S122 T125 K126	E92-A96 VanDerWaalsContact O-CB 3.32Å; E92-A96 WeakPolarHBondContact O-CB 3.29Å; E92-A96 PolarHBondContact O-N 3.44Å; E93-A96 PolarHBondContact O-N 3.01Å; N94-A96 VanDerWaalsContact C-N 3.34Å; N94-A96 PolarHBondContact O-N 3.14Å; A96-V98 PolarHBondContact O-N 3.38Å; A96-L99 PolarHBondContact O-N 2.89Å; A96-D100 WeakPolarHBondContact O-CB 3.27Å; A96-D100 PolarHBondContact O-N 2.99Å; A96-S122 WeakPolarHBondContact O-CB 3.39Å; A96-S122 PolarHBondContact O-OG 3.07Å; A96-S122 VanDerWaalsContact O-OG 3.1Å; A96-T125 HydrophobicContact CB-CG2 4.19Å; A96-K126 HydrophobicContact CB-CD 4.5Å; A96-K126 HydrophobicContact CB-CG 3.77Å
97	Q	95.8	Very high	93.6	Very high	111 Å²	111	71.3 Å²	71.3	52%	0.519	35%	0.353	S	S	.	.	H	α-helix	trans	-61.3	-41.3	175.1	-74.2	171.5	38.3	0	0	113	E93 N94 Y95 D100 K101	E93-Q97 VanDerWaalsContact O-CG 3.26Å; E93-Q97 WeakPolarHBondContact O-CG 3.42Å; E93-Q97 PolarHBondContact O-N 3.06Å; N94-Q97 PolarHBondContact O-N 3.26Å; Y95-Q97 PolarHBondContact O-N 2.86Å; Q97-D100 VanDerWaalsContact O-CB 3.27Å; Q97-D100 WeakPolarHBondContact O-CB 3.34Å; Q97-D100 PolarHBondContact O-N 3.26Å; Q97-K101 PolarHBondContact O-N 3.09Å; Q97-K101 VanDerWaalsContact O-N 3.1Å
98	V	96.3	Very high	92.3	Very high	105 Å²	105	71 Å²	71	64%	0.636	36%	0.358	S	S	*	.	H	α-helix	trans	-66.3	-41.2	176.3	173.6	0	0	0	0	110.8	N94 Y95 A96 K101 F102	N94-V98 WeakPolarHBondContact O-CG2 3.39Å; N94-V98 PolarHBondContact O-N 3.21Å; N94-V98 VanDerWaalsContact O-N 3.08Å; Y95-V98 PolarHBondContact O-N 2.85Å; A96-V98 PolarHBondContact O-N 3.38Å; V98-K101 PolarHBondContact O-N 3.47Å; V98-F102 WeakPolarHBondContact O-CB 3.47Å; V98-F102 PolarHBondContact O-N 2.88Å
99	L	95.3	Very high	90.8	Very high	26 Å²	26	76.1 Å²	76.1	14%	0.136	37%	0.374	C	S	.	.	H	α-helix	trans	-67.5	-35.6	177.8	-163.9	65.5	0	0	0	112.6	Y95 A96 F102 G103 F118 F121	Y95-L99 HydrophobicContact CE1-CD2 4.07Å; Y95-L99 WeakPolarHBondContact O-CB 3.41Å; Y95-L99 PolarHBondContact O-N 3.06Å; A96-L99 PolarHBondContact O-N 2.89Å; L99-F102 PolarHBondContact O-N 2.83Å; L99-G103 PolarHBondContact O-N 2.85Å; L99-F118 HydrophobicContact CD1-CB 4.36Å; L99-F118 HydrophobicContact CD1-CD1 3.82Å; L99-F118 HydrophobicContact CD1-CG 4.48Å; L99-F118 HydrophobicContact CG-CB 4.4Å; L99-F121 HydrophobicContact CD2-CB 3.66Å
100	D	95.3	Very high	89.3	Confident	46 Å²	46	81.8 Å²	81.8	25%	0.246	40%	0.404	C	S	.	.	H	α-helix	trans	-54.9	-56.9	169.3	-130.9	39.4	0	0	0	110.4	A96 Q97 F102 G103 S104 S122 K126	A96-D100 WeakPolarHBondContact O-CB 3.27Å; A96-D100 PolarHBondContact O-N 2.99Å; Q97-D100 VanDerWaalsContact O-CB 3.27Å; Q97-D100 WeakPolarHBondContact O-CB 3.34Å; Q97-D100 PolarHBondContact O-N 3.26Å; D100-F102 VanDerWaalsContact C-N 3.31Å; D100-F102 PolarHBondContact O-N 3.11Å; D100-G103 PolarHBondContact O-N 2.79Å; D100-G103 VanDerWaalsContact O-N 3.16Å; D100-S104 PolarHBondContact O-N 2.85Å; D100-S104 PolarHBondContact O-OG 2.93Å; D100-S122 VanDerWaalsContact OD1-CB 3.32Å; D100-S122 WeakPolarHBondContact OD1-CB 3.3Å; D100-S122 PolarHBondContact OD1-OG 3.44Å; D100-K126 IonicContact OD1-NZ 3.6Å; D100-K126 PolarHBondContact OD1-NZ 2.99Å; D100-K126 IonicContact OD2-NZ 3.79Å; D100-K126 PolarHBondContact OD2-NZ 3.48Å
101	K	93.1	Very high	88	Confident	144 Å²	144	79.9 Å²	79.9	63%	0.626	40%	0.397	S	S	*	.	H	α-helix	trans	-64.3	-37	-177.1	-172.2	173.9	-177.7	176.7	0	111.7	Q97 V98 N105	Q97-K101 PolarHBondContact O-N 3.09Å; Q97-K101 VanDerWaalsContact O-N 3.1Å; V98-K101 PolarHBondContact O-N 3.47Å; K101-N105 WeakPolarHBondContact O-CB 3.46Å; K101-N105 PolarHBondContact O-N 3.49Å; K101-N105 PolarHBondContact O-ND2 2.81Å; K101-N105 PolarHBondContact O-OD1 3.45Å
102	F	92.7	Very high	87.3	Confident	100 Å²	100	78.6 Å²	78.6	44%	0.439	39%	0.394	S	S	.	.	H	α-helix	trans	-63.5	-44.5	174	-174.6	-102.9	0	0	0	111.9	V98 L99 D100 N105 F106 F118	V98-F102 WeakPolarHBondContact O-CB 3.47Å; V98-F102 PolarHBondContact O-N 2.88Å; L99-F102 PolarHBondContact O-N 2.83Å; D100-F102 VanDerWaalsContact C-N 3.31Å; D100-F102 PolarHBondContact O-N 3.11Å; F102-N105 PolarHBondContact O-N 3.03Å; F102-F106 HydrophobicContact CE1-CD2 4.15Å; F102-F106 HydrophobicContact CE1-CE2 4.27Å; F102-F106 HydrophobicContact CZ-CD2 4.04Å; F102-F106 AromaticContact CZ-CE2 3.89Å; F102-F106 HydrophobicContact CZ-CE2 3.89Å; F102-F106 PolarHBondContact O-N 3.24Å; F102-F106 VanDerWaalsContact O-N 3.12Å; F102-F118 HydrophobicContact CD1-CB 4.47Å; F102-F118 HydrophobicContact CD1-CD1 4.19Å; F102-F118 AromaticContact CD1-CD2 3.87Å; F102-F118 HydrophobicContact CD1-CD2 3.87Å; F102-F118 HydrophobicContact CD1-CE1 4.42Å; F102-F118 HydrophobicContact CD1-CE2 4.14Å; F102-F118 AromaticContact CD1-CG 3.92Å; F102-F118 HydrophobicContact CD1-CG 3.92Å; F102-F118 HydrophobicContact CD1-CZ 4.4Å; F102-F118 HydrophobicContact CE1-CD1 4.38Å; F102-F118 AromaticContact CE1-CD2 3.86Å; F102-F118 HydrophobicContact CE1-CD2 3.86Å; F102-F118 HydrophobicContact CE1-CE1 4.17Å; F102-F118 AromaticContact CE1-CE2 3.63Å; F102-F118 HydrophobicContact CE1-CE2 3.63Å; F102-F118 HydrophobicContact CE1-CG 4.24Å; F102-F118 AromaticContact CE1-CZ 3.8Å; F102-F118 HydrophobicContact CE1-CZ 3.8Å
103	G	92.6	Very high	86.7	Confident	0 Å²	0	81.4 Å²	81.4	0%	0	41%	0.41	C	S	.	.	H	α-helix	trans	-62.8	-46.2	174.7	0	0	0	0	0	113.3	L99 D100 N105 F106 L107 G115	L99-G103 PolarHBondContact O-N 2.85Å; D100-G103 PolarHBondContact O-N 2.79Å; D100-G103 VanDerWaalsContact O-N 3.16Å; G103-N105 VanDerWaalsContact C-N 3.33Å; G103-N105 PolarHBondContact O-N 2.89Å; G103-F106 WeakPolarHBondContact O-CB 3.22Å; G103-F106 PolarHBondContact O-N 2.71Å; G103-F106 VanDerWaalsContact O-N 3.08Å; G103-L107 WeakPolarHBondContact O-CG 3.44Å; G103-L107 PolarHBondContact O-N 3.22Å; G103-G115 WeakPolarHBondContact O-CA 3.45Å
104	S	89.5	Confident	86.2	Confident	57 Å²	57	81.1 Å²	81.1	40%	0.399	41%	0.41	S	S	.	.	H	α-helix	trans	-61.8	-37.6	176.1	-61	0	0	0	0	113.1	D100 F106 L107 S108	D100-S104 PolarHBondContact O-N 2.85Å; D100-S104 PolarHBondContact O-OG 2.93Å; S104-F106 VanDerWaalsContact C-N 3.29Å; S104-F106 PolarHBondContact O-N 3.35Å; S104-L107 PolarHBondContact O-N 3.38Å; S104-S108 PolarHBondContact O-N 3.11Å; S104-S108 PolarHBondContact O-OG 3.08Å
105	N	87.1	Confident	86	Confident	84 Å²	84	77.9 Å²	77.9	45%	0.449	39%	0.393	S	S	.	.	H	α-helix	trans	-68.3	-26.8	174.1	-72.8	-5.9	0	0	0	113	K101 F102 G103 S108 R109	K101-N105 WeakPolarHBondContact O-CB 3.46Å; K101-N105 PolarHBondContact O-N 3.49Å; K101-N105 PolarHBondContact O-ND2 2.81Å; K101-N105 PolarHBondContact O-OD1 3.45Å; F102-N105 PolarHBondContact O-N 3.03Å; G103-N105 VanDerWaalsContact C-N 3.33Å; G103-N105 PolarHBondContact O-N 2.89Å; N105-S108 PolarHBondContact O-OG 2.61Å; N105-R109 WeakPolarHBondContact O-CG 3.48Å
106	F	83.8	Confident	85.6	Confident	65 Å²	65	74 Å²	74	29%	0.285	38%	0.383	S	S	.	.	H	α-helix	trans	-74.6	-48.1	172.7	-120.1	-94.1	0	0	0	110.3	F102 G103 S104 S108 R109 D110 L114	F102-F106 HydrophobicContact CE1-CD2 4.15Å; F102-F106 HydrophobicContact CE1-CE2 4.27Å; F102-F106 HydrophobicContact CZ-CD2 4.04Å; F102-F106 AromaticContact CZ-CE2 3.89Å; F102-F106 HydrophobicContact CZ-CE2 3.89Å; F102-F106 PolarHBondContact O-N 3.24Å; F102-F106 VanDerWaalsContact O-N 3.12Å; G103-F106 WeakPolarHBondContact O-CB 3.22Å; G103-F106 PolarHBondContact O-N 2.71Å; G103-F106 VanDerWaalsContact O-N 3.08Å; S104-F106 VanDerWaalsContact C-N 3.29Å; S104-F106 PolarHBondContact O-N 3.35Å; F106-S108 PolarHBondContact O-N 2.77Å; F106-S108 VanDerWaalsContact O-N 3.09Å; F106-R109 PolarHBondContact O-N 3.48Å; F106-D110 VanDerWaalsContact CD1-O 3.28Å; F106-D110 WeakPolarHBondContact CD1-O 3.4Å; F106-D110 PolarHBondContact O-N 2.83Å; F106-L114 HydrophobicContact CD1-CB 3.89Å; F106-L114 HydrophobicContact CE1-CB 4.01Å; F106-L114 HydrophobicContact CE1-CD1 3.9Å
107	L	83.1	Confident	85.4	Confident	79 Å²	79	74.2 Å²	74.2	41%	0.414	39%	0.385	S	S	.	.	H	α-helix	trans	-52.4	-32.7	178.1	-74.1	174.9	0	0	0	113.7	G103 S104 P112 V119	G103-L107 WeakPolarHBondContact O-CG 3.44Å; G103-L107 PolarHBondContact O-N 3.22Å; S104-L107 PolarHBondContact O-N 3.38Å; L107-P112 HydrophobicContact CD2-CB 4.12Å; L107-P112 VanDerWaalsContact CD2-O 3.3Å; L107-P112 WeakPolarHBondContact CD2-O 3.39Å; L107-V119 HydrophobicContact CD1-CG2 4.28Å
108	S	69.4	Low	85.3	Confident	92 Å²	92	71.8 Å²	71.8	64%	0.643	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	1.9	-179.7	59.7	0	0	0	0	115.2	S104 N105 F106	S104-S108 PolarHBondContact O-N 3.11Å; S104-S108 PolarHBondContact O-OG 3.08Å; N105-S108 PolarHBondContact O-OG 2.61Å; F106-S108 PolarHBondContact O-N 2.77Å; F106-S108 VanDerWaalsContact O-N 3.09Å
109	R	64.5	Low	85.2	Confident	208 Å²	208	68.6 Å²	68.6	79%	0.785	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.3	-42.6	-172.4	-61.1	-173.9	73.1	163.3	4.6	115.3	N105 F106	N105-R109 WeakPolarHBondContact O-CG 3.48Å; F106-R109 PolarHBondContact O-N 3.48Å
110	D	66.8	Low	85.1	Confident	122 Å²	122	72 Å²	72	65%	0.652	37%	0.367	S	S	*	.	S	Bend	trans	-157.9	140.7	-175.6	-101.5	-53.9	0	0	0	112.4	F106	F106-D110 VanDerWaalsContact CD1-O 3.28Å; F106-D110 WeakPolarHBondContact CD1-O 3.4Å; F106-D110 PolarHBondContact O-N 2.83Å
111	N	66.6	Low	85.1	Confident	53 Å²	53	72.5 Å²	72.5	28%	0.283	37%	0.367	S	S	.	.			trans	42.8	85.4	168.3	-162.5	-35	0	0	0	115.4	D113 L114	N111-D113 VanDerWaalsContact C-N 3.26Å; N111-D113 PolarHBondContact O-N 2.92Å; N111-D113 VanDerWaalsContact O-N 3.12Å; N111-L114 HydrophobicContact CB-CD1 4.21Å; N111-L114 PolarHBondContact O-N 3.35Å; N111-L114 VanDerWaalsContact O-N 3.11Å
112	P	80.9	Confident	85.2	Confident	78 Å²	78	65.6 Å²	65.6	51%	0.506	34%	0.337	S	S	.	.	H	α-helix	trans	-66.1	-20.6	-166.7	26.2	-35.5	0	0	0	115	L107 L114 G115 T116	L107-P112 HydrophobicContact CD2-CB 4.12Å; L107-P112 VanDerWaalsContact CD2-O 3.3Å; L107-P112 WeakPolarHBondContact CD2-O 3.39Å; P112-L114 VanDerWaalsContact C-N 3.34Å; P112-G115 PolarHBondContact O-N 3.17Å; P112-T116 WeakPolarHBondContact O-CB 3.44Å; P112-T116 PolarHBondContact O-N 2.81Å; P112-T116 PolarHBondContact O-OG1 3.35Å
113	D	82	Confident	85.3	Confident	101 Å²	101	64 Å²	64	54%	0.54	34%	0.335	S	S	.	.	H	α-helix	trans	-65.4	-37.4	175.5	-71.7	-53.7	0	0	0	111.9	N111 A117 I275	N111-D113 VanDerWaalsContact C-N 3.26Å; N111-D113 PolarHBondContact O-N 2.92Å; N111-D113 VanDerWaalsContact O-N 3.12Å; D113-A117 PolarHBondContact O-N 3.41Å; D113-A117 VanDerWaalsContact O-N 3.16Å; D113-I275 HydrophobicContact CB-CD1 4.29Å
114	L	86.1	Confident	85.3	Confident	32 Å²	32	64.9 Å²	64.9	17%	0.168	34%	0.34	C	S	.	.	H	α-helix	trans	-67.7	-46.7	175.1	-74.3	170.6	0	0	0	111.5	F106 N111 P112 T116 A117 F118 L272 I275	F106-L114 HydrophobicContact CD1-CB 3.89Å; F106-L114 HydrophobicContact CE1-CB 4.01Å; F106-L114 HydrophobicContact CE1-CD1 3.9Å; N111-L114 HydrophobicContact CB-CD1 4.21Å; N111-L114 PolarHBondContact O-N 3.35Å; N111-L114 VanDerWaalsContact O-N 3.11Å; P112-L114 VanDerWaalsContact C-N 3.34Å; L114-T116 VanDerWaalsContact C-N 3.33Å; L114-T116 PolarHBondContact O-N 2.84Å; L114-A117 WeakPolarHBondContact O-CB 3.28Å; L114-A117 PolarHBondContact O-N 3.44Å; L114-A117 VanDerWaalsContact O-N 3.12Å; L114-F118 WeakPolarHBondContact O-CD2 3.26Å; L114-F118 PolarHBondContact O-N 3.28Å; L114-L272 HydrophobicContact CD2-CD2 3.39Å; L114-I275 HydrophobicContact CG-CD1 4.38Å
115	G	90.1	Very high	85.5	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-59.2	-44.2	176.6	0	0	0	0	0	112.5	G103 P112 A117 F118 V119	G103-G115 WeakPolarHBondContact O-CA 3.45Å; P112-G115 PolarHBondContact O-N 3.17Å; G115-A117 PolarHBondContact O-N 3.04Å; G115-F118 PolarHBondContact O-N 2.85Å; G115-V119 PolarHBondContact O-N 3.33Å
116	T	90.4	Very high	85.9	Confident	52 Å²	52	62.5 Å²	62.5	32%	0.319	32%	0.321	S	S	.	.	H	α-helix	trans	-58	-36.5	175.2	-59.9	0	0	0	0	112.1	P112 L114 K120	P112-T116 WeakPolarHBondContact O-CB 3.44Å; P112-T116 PolarHBondContact O-N 2.81Å; P112-T116 PolarHBondContact O-OG1 3.35Å; L114-T116 VanDerWaalsContact C-N 3.33Å; L114-T116 PolarHBondContact O-N 2.84Å; T116-K120 HydrophobicContact CG2-CD 4.36Å; T116-K120 WeakPolarHBondContact O-CG 3.35Å; T116-K120 PolarHBondContact O-N 2.83Å; T116-K120 VanDerWaalsContact O-N 3.11Å
117	A	92.1	Very high	86.4	Confident	4 Å²	4	62.5 Å²	62.5	3%	0.033	32%	0.322	C	S	.	.	H	α-helix	trans	-66.8	-46.7	179.8	0	0	0	0	0	112.9	D113 L114 G115 V119 K120 F121 Y264 L268	D113-A117 PolarHBondContact O-N 3.41Å; D113-A117 VanDerWaalsContact O-N 3.16Å; L114-A117 WeakPolarHBondContact O-CB 3.28Å; L114-A117 PolarHBondContact O-N 3.44Å; L114-A117 VanDerWaalsContact O-N 3.12Å; G115-A117 PolarHBondContact O-N 3.04Å; A117-V119 PolarHBondContact O-N 2.91Å; A117-K120 PolarHBondContact O-N 3.4Å; A117-K120 VanDerWaalsContact O-N 3.15Å; A117-F121 WeakPolarHBondContact O-CD2 3.34Å; A117-F121 PolarHBondContact O-N 3.06Å; A117-Y264 WeakPolarHBondContact CA-OH 3.34Å; A117-Y264 VanDerWaalsContact CB-OH 3.29Å; A117-Y264 WeakPolarHBondContact CB-OH 3.46Å; A117-L268 HydrophobicContact CB-CD1 3.77Å; A117-L268 HydrophobicContact CB-CD2 3.8Å; A117-L268 HydrophobicContact CB-CG 4.47Å
118	F	94.3	Very high	86.8	Confident	59 Å²	59	61.1 Å²	61.1	26%	0.259	31%	0.314	S	S	.	.	H	α-helix	trans	-63.1	-40.7	178.9	-64.7	-63.2	0	0	0	112.3	L99 F102 L114 G115 K120 F121 S122	L99-F118 HydrophobicContact CD1-CB 4.36Å; L99-F118 HydrophobicContact CD1-CD1 3.82Å; L99-F118 HydrophobicContact CD1-CG 4.48Å; L99-F118 HydrophobicContact CG-CB 4.4Å; F102-F118 HydrophobicContact CD1-CB 4.47Å; F102-F118 HydrophobicContact CD1-CD1 4.19Å; F102-F118 AromaticContact CD1-CD2 3.87Å; F102-F118 HydrophobicContact CD1-CD2 3.87Å; F102-F118 HydrophobicContact CD1-CE1 4.42Å; F102-F118 HydrophobicContact CD1-CE2 4.14Å; F102-F118 AromaticContact CD1-CG 3.92Å; F102-F118 HydrophobicContact CD1-CG 3.92Å; F102-F118 HydrophobicContact CD1-CZ 4.4Å; F102-F118 HydrophobicContact CE1-CD1 4.38Å; F102-F118 AromaticContact CE1-CD2 3.86Å; F102-F118 HydrophobicContact CE1-CD2 3.86Å; F102-F118 HydrophobicContact CE1-CE1 4.17Å; F102-F118 AromaticContact CE1-CE2 3.63Å; F102-F118 HydrophobicContact CE1-CE2 3.63Å; F102-F118 HydrophobicContact CE1-CG 4.24Å; F102-F118 AromaticContact CE1-CZ 3.8Å; F102-F118 HydrophobicContact CE1-CZ 3.8Å; L114-F118 WeakPolarHBondContact O-CD2 3.26Å; L114-F118 PolarHBondContact O-N 3.28Å; G115-F118 PolarHBondContact O-N 2.85Å; F118-K120 VanDerWaalsContact C-N 3.32Å; F118-K120 PolarHBondContact O-N 3.49Å; F118-F121 PolarHBondContact O-N 3.32Å; F118-S122 WeakPolarHBondContact O-CB 3.35Å; F118-S122 PolarHBondContact O-N 2.73Å
119	V	94.1	Very high	88.1	Confident	38 Å²	38	56.7 Å²	56.7	23%	0.23	28%	0.283	C	S	.	.	H	α-helix	trans	-62.6	-36.8	173.8	178.8	0	0	0	0	111.8	L107 G115 A117 S122 T123	L107-V119 HydrophobicContact CD1-CG2 4.28Å; G115-V119 PolarHBondContact O-N 3.33Å; A117-V119 PolarHBondContact O-N 2.91Å; V119-S122 WeakPolarHBondContact O-CB 3.24Å; V119-S122 PolarHBondContact O-N 3.41Å; V119-T123 WeakPolarHBondContact O-CB 3.2Å; V119-T123 PolarHBondContact O-N 2.87Å; V119-T123 PolarHBondContact O-OG1 3.02Å
120	K	92.8	Very high	89.6	Confident	99 Å²	99	50.1 Å²	50.1	43%	0.43	27%	0.266	S	S	.	.	H	α-helix	trans	-68.8	-41	175.4	-79.8	-178.1	176	179.8	0	113.3	T116 A117 F118 T123 L124 Y264	T116-K120 HydrophobicContact CG2-CD 4.36Å; T116-K120 WeakPolarHBondContact O-CG 3.35Å; T116-K120 PolarHBondContact O-N 2.83Å; T116-K120 VanDerWaalsContact O-N 3.11Å; A117-K120 PolarHBondContact O-N 3.4Å; A117-K120 VanDerWaalsContact O-N 3.15Å; F118-K120 VanDerWaalsContact C-N 3.32Å; F118-K120 PolarHBondContact O-N 3.49Å; K120-T123 PolarHBondContact O-N 2.89Å; K120-L124 WeakPolarHBondContact O-CG 3.44Å; K120-L124 PolarHBondContact O-N 3.34Å; K120-Y264 HydrophobicContact CB-CD1 4.27Å; K120-Y264 HydrophobicContact CB-CE1 3.77Å; K120-Y264 HydrophobicContact CD-CD2 4.27Å; K120-Y264 HydrophobicContact CD-CE1 4.02Å; K120-Y264 HydrophobicContact CD-CE2 3.79Å
121	F	94.6	Very high	91	Very high	55 Å²	55	46 Å²	46	24%	0.241	24%	0.244	C	C	.	.	H	α-helix	trans	-61.9	-45.8	172.5	-76.1	-68.8	0	0	0	111.5	L99 A117 F118 T123 L124 T125 L261 I265 L268	L99-F121 HydrophobicContact CD2-CB 3.66Å; A117-F121 WeakPolarHBondContact O-CD2 3.34Å; A117-F121 PolarHBondContact O-N 3.06Å; F118-F121 PolarHBondContact O-N 3.32Å; F121-T123 VanDerWaalsContact C-N 3.34Å; F121-T123 PolarHBondContact O-N 3.47Å; F121-L124 PolarHBondContact O-N 3.02Å; F121-T125 PolarHBondContact O-N 2.75Å; F121-T125 PolarHBondContact O-OG1 3.18Å; F121-L261 HydrophobicContact CD1-CD1 3.75Å; F121-L261 HydrophobicContact CE1-CD1 3.71Å; F121-I265 HydrophobicContact CE1-CD1 4.21Å; F121-I265 HydrophobicContact CE1-CG1 3.91Å; F121-I265 HydrophobicContact CZ-CG1 4.07Å; F121-L268 HydrophobicContact CE2-CD2 3.48Å; F121-L268 VanDerWaalsContact CE2-CD2 3.48Å; F121-L268 HydrophobicContact CZ-CD2 3.8Å
122	S	95.8	Very high	92.4	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-51.9	-51	172.6	154.5	0	0	0	0	111.9	A96 D100 F118 V119 L124 T125 K126	A96-S122 WeakPolarHBondContact O-CB 3.39Å; A96-S122 PolarHBondContact O-OG 3.07Å; A96-S122 VanDerWaalsContact O-OG 3.1Å; D100-S122 VanDerWaalsContact OD1-CB 3.32Å; D100-S122 WeakPolarHBondContact OD1-CB 3.3Å; D100-S122 PolarHBondContact OD1-OG 3.44Å; F118-S122 WeakPolarHBondContact O-CB 3.35Å; F118-S122 PolarHBondContact O-N 2.73Å; V119-S122 WeakPolarHBondContact O-CB 3.24Å; V119-S122 PolarHBondContact O-N 3.41Å; S122-L124 PolarHBondContact O-N 2.7Å; S122-T125 PolarHBondContact O-N 3.08Å; S122-K126 WeakPolarHBondContact O-CG 3.36Å; S122-K126 PolarHBondContact O-N 2.94Å; S122-K126 WeakPolarHBondContact OG-CE 3.46Å; S122-K126 PolarHBondContact OG-NZ 3.37Å
123	T	94.6	Very high	93.1	Very high	66 Å²	66	44.4 Å²	44.4	41%	0.405	23%	0.228	S	C	.	.	H	α-helix	trans	-59.9	-43.9	-179	-57.7	0	0	0	0	112.1	V119 K120 F121 K126 E127	V119-T123 WeakPolarHBondContact O-CB 3.2Å; V119-T123 PolarHBondContact O-N 2.87Å; V119-T123 PolarHBondContact O-OG1 3.02Å; K120-T123 PolarHBondContact O-N 2.89Å; F121-T123 VanDerWaalsContact C-N 3.34Å; F121-T123 PolarHBondContact O-N 3.47Å; T123-K126 PolarHBondContact O-N 2.58Å; T123-E127 PolarHBondContact O-N 2.87Å
124	L	92.7	Very high	93.7	Very high	19 Å²	19	43.8 Å²	43.8	10%	0.099	23%	0.225	C	C	.	.	H	α-helix	trans	-70.9	-32.7	179.6	-69.6	163.9	0	0	0	112.5	K120 F121 S122 E127 L128 T257 K260 L261	K120-L124 WeakPolarHBondContact O-CG 3.44Å; K120-L124 PolarHBondContact O-N 3.34Å; F121-L124 PolarHBondContact O-N 3.02Å; S122-L124 PolarHBondContact O-N 2.7Å; L124-E127 PolarHBondContact O-N 2.79Å; L124-L128 WeakPolarHBondContact O-CG 3.42Å; L124-L128 PolarHBondContact O-N 3.47Å; L124-T257 HydrophobicContact CD2-CG2 4.09Å; L124-K260 HydrophobicContact CD2-CB 4.26Å; L124-K260 HydrophobicContact CD2-CD 4.16Å; L124-L261 HydrophobicContact CB-CD1 4.48Å; L124-L261 HydrophobicContact CD1-CB 4.06Å; L124-L261 HydrophobicContact CD1-CD1 3.66Å; L124-L261 HydrophobicContact CD1-CG 4.46Å
125	T	93.6	Very high	94.3	Very high	25 Å²	25	43 Å²	43	15%	0.153	22%	0.22	C	C	.	.	H	α-helix	trans	-68.5	-38	170.8	-57.9	0	0	0	0	112	E92 Y95 A96 F121 S122 E127 L128 S129	E92-T125 HydrophobicContact CB-CG2 4.18Å; Y95-T125 HydrophobicContact CD1-CG2 4.02Å; Y95-T125 HydrophobicContact CE1-CG2 4.27Å; A96-T125 HydrophobicContact CB-CG2 4.19Å; F121-T125 PolarHBondContact O-N 2.75Å; F121-T125 PolarHBondContact O-OG1 3.18Å; S122-T125 PolarHBondContact O-N 3.08Å; T125-E127 VanDerWaalsContact C-N 3.34Å; T125-E127 PolarHBondContact O-N 2.81Å; T125-L128 PolarHBondContact O-N 2.83Å; T125-S129 WeakPolarHBondContact O-CB 3.29Å; T125-S129 PolarHBondContact O-N 3.45Å
126	K	94.8	Very high	94.6	Very high	66 Å²	66	43.4 Å²	43.4	29%	0.287	22%	0.223	S	C	.	.	H	α-helix	trans	-61.5	-39.4	172.9	-68.6	162.1	-177.1	169.9	0	112.1	A96 D100 S122 T123 T130	A96-K126 HydrophobicContact CB-CD 4.5Å; A96-K126 HydrophobicContact CB-CG 3.77Å; D100-K126 IonicContact OD1-NZ 3.6Å; D100-K126 PolarHBondContact OD1-NZ 2.99Å; D100-K126 IonicContact OD2-NZ 3.79Å; D100-K126 PolarHBondContact OD2-NZ 3.48Å; S122-K126 WeakPolarHBondContact O-CG 3.36Å; S122-K126 PolarHBondContact O-N 2.94Å; S122-K126 WeakPolarHBondContact OG-CE 3.46Å; S122-K126 PolarHBondContact OG-NZ 3.37Å; T123-K126 PolarHBondContact O-N 2.58Å; K126-T130 WeakPolarHBondContact O-CB 3.09Å; K126-T130 PolarHBondContact O-N 3.42Å; K126-T130 VanDerWaalsContact O-N 3.09Å; K126-T130 PolarHBondContact O-OG1 2.96Å
127	E	94.4	Very high	94.8	Very high	65 Å²	65	46.2 Å²	46.2	30%	0.304	23%	0.232	S	C	.	.	H	α-helix	trans	-59.1	-51.6	172.3	-75.5	-168	-169.3	0	0	111.5	T123 L124 T125 T130 L131 T257 K260	T123-E127 PolarHBondContact O-N 2.87Å; L124-E127 PolarHBondContact O-N 2.79Å; T125-E127 VanDerWaalsContact C-N 3.34Å; T125-E127 PolarHBondContact O-N 2.81Å; E127-T130 WeakPolarHBondContact O-CB 3.19Å; E127-T130 PolarHBondContact O-N 2.88Å; E127-L131 WeakPolarHBondContact O-CG 3.45Å; E127-L131 PolarHBondContact O-N 2.94Å; E127-L131 VanDerWaalsContact O-N 3.14Å; E127-T257 HydrophobicContact CB-CG2 3.91Å; E127-T257 WeakPolarHBondContact OE2-CB 3.07Å; E127-T257 WeakPolarHBondContact OE2-CG2 3.19Å; E127-T257 PolarHBondContact OE2-OG1 3.33Å; E127-K260 IonicContact OE1-NZ 3.79Å; E127-K260 PolarHBondContact OE1-NZ 3.09Å; E127-K260 IonicContact OE2-NZ 2.86Å; E127-K260 PolarHBondContact OE2-NZ 3.19Å
128	L	93.4	Very high	94.9	Very high	49 Å²	49	46.6 Å²	46.6	26%	0.257	24%	0.237	S	C	.	.	H	α-helix	trans	-63.8	-45.4	-177.3	-69.1	172.5	0	0	0	112.7	L124 T125 T130 L131 L132 T257	L124-L128 WeakPolarHBondContact O-CG 3.42Å; L124-L128 PolarHBondContact O-N 3.47Å; T125-L128 PolarHBondContact O-N 2.83Å; L128-T130 VanDerWaalsContact C-N 3.29Å; L128-T130 PolarHBondContact O-N 2.7Å; L128-L131 WeakPolarHBondContact O-CB 3.43Å; L128-L131 PolarHBondContact O-N 2.7Å; L128-L131 VanDerWaalsContact O-N 3.13Å; L128-L132 PolarHBondContact O-N 3.42Å; L128-T257 HydrophobicContact CD2-CG2 3.75Å; L128-T257 HydrophobicContact CG-CG2 3.83Å
129	S	95.5	Very high	95	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-60.5	-39.3	176.7	178.7	0	0	0	0	111.6	V89 E92 T125 L131 L132 K133	V89-S129 PolarHBondContact O-OG 3.07Å; E92-S129 WeakPolarHBondContact OE2-CA 3Å; E92-S129 WeakPolarHBondContact OE2-CB 3.48Å; T125-S129 WeakPolarHBondContact O-CB 3.29Å; T125-S129 PolarHBondContact O-N 3.45Å; S129-L131 PolarHBondContact O-N 3.11Å; S129-L132 PolarHBondContact O-N 3.14Å; S129-K133 WeakPolarHBondContact O-CB 3.39Å; S129-K133 PolarHBondContact O-N 3.43Å
130	T	95.8	Very high	95	Very high	69 Å²	69	44.1 Å²	44.1	42%	0.423	23%	0.228	S	C	.	.	H	α-helix	trans	-61.4	-41.5	174.5	-59.5	0	0	0	0	112.1	K126 E127 L128 K133 N134	K126-T130 WeakPolarHBondContact O-CB 3.09Å; K126-T130 PolarHBondContact O-N 3.42Å; K126-T130 VanDerWaalsContact O-N 3.09Å; K126-T130 PolarHBondContact O-OG1 2.96Å; E127-T130 WeakPolarHBondContact O-CB 3.19Å; E127-T130 PolarHBondContact O-N 2.88Å; L128-T130 VanDerWaalsContact C-N 3.29Å; L128-T130 PolarHBondContact O-N 2.7Å; T130-K133 WeakPolarHBondContact O-CB 3.49Å; T130-K133 PolarHBondContact O-N 3.34Å; T130-N134 VanDerWaalsContact O-CG 3.28Å; T130-N134 PolarHBondContact O-N 2.92Å; T130-N134 VanDerWaalsContact O-N 3.1Å; T130-N134 PolarHBondContact O-ND2 3.49Å
131	L	96	Very high	95.1	Very high	37 Å²	37	45.9 Å²	45.9	19%	0.194	24%	0.237	C	C	.	.	H	α-helix	trans	-63.5	-41.5	175.6	-66	172.7	0	0	0	111.5	E127 L128 S129 N134 L135 F250 D253	E127-L131 WeakPolarHBondContact O-CG 3.45Å; E127-L131 PolarHBondContact O-N 2.94Å; E127-L131 VanDerWaalsContact O-N 3.14Å; L128-L131 WeakPolarHBondContact O-CB 3.43Å; L128-L131 PolarHBondContact O-N 2.7Å; L128-L131 VanDerWaalsContact O-N 3.13Å; S129-L131 PolarHBondContact O-N 3.11Å; L131-N134 PolarHBondContact O-N 2.98Å; L131-L135 PolarHBondContact O-N 3.18Å; L131-L135 VanDerWaalsContact O-N 3.1Å; L131-F250 HydrophobicContact CB-CD2 3.83Å; L131-F250 HydrophobicContact CB-CE2 4.01Å; L131-F250 WeakPolarHBondContact O-CD2 3.04Å; L131-D253 HydrophobicContact CD1-CB 4.06Å; L131-D253 HydrophobicContact CD2-CB 3.96Å
132	L	95.9	Very high	95	Very high	29 Å²	29	44.4 Å²	44.4	15%	0.152	23%	0.232	C	C	.	.	H	α-helix	trans	-66.1	-42.5	177.1	179.9	58.7	0	0	0	111.7	V89 L128 S129 N134 L135 L136 F250	V89-L132 HydrophobicContact CG2-CB 3.97Å; V89-L132 HydrophobicContact CG2-CD2 3.7Å; V89-L132 HydrophobicContact CG2-CG 3.63Å; L128-L132 PolarHBondContact O-N 3.42Å; S129-L132 PolarHBondContact O-N 3.14Å; L132-N134 VanDerWaalsContact C-N 3.28Å; L132-N134 PolarHBondContact O-N 3.11Å; L132-L135 WeakPolarHBondContact O-CB 3.34Å; L132-L135 PolarHBondContact O-N 3.22Å; L132-L135 VanDerWaalsContact O-N 3.11Å; L132-L136 HydrophobicContact CD1-CD1 4.25Å; L132-L136 HydrophobicContact CD1-CG 4.31Å; L132-L136 HydrophobicContact CG-CD1 3.98Å; L132-L136 WeakPolarHBondContact O-CG 3.49Å; L132-L136 PolarHBondContact O-N 3.21Å; L132-F250 HydrophobicContact CB-CE2 3.88Å; L132-F250 HydrophobicContact CB-CZ 4.41Å; L132-F250 HydrophobicContact CD1-CE2 4.31Å; L132-F250 HydrophobicContact CD1-CZ 4.23Å
133	K	95.9	Very high	95	Very high	67 Å²	67	44.7 Å²	44.7	29%	0.291	23%	0.233	S	C	.	.	H	α-helix	trans	-55.4	-42.7	174.6	-159.2	168.4	-161.8	164.8	0	111.5	V89 E93 S129 T130 L136 Q137	V89-K133 HydrophobicContact CG1-CB 4.04Å; V89-K133 HydrophobicContact CG1-CD 3.85Å; V89-K133 HydrophobicContact CG1-CG 3.97Å; V89-K133 HydrophobicContact CG2-CB 4.31Å; E93-K133 VanDerWaalsContact CD-NZ 3.29Å; E93-K133 IonicContact OE1-NZ 2.66Å; E93-K133 PolarHBondContact OE1-NZ 3.48Å; E93-K133 IonicContact OE2-NZ 2.72Å; E93-K133 PolarHBondContact OE2-NZ 3.25Å; E93-K133 VanDerWaalsContact OE2-NZ 3.16Å; S129-K133 WeakPolarHBondContact O-CB 3.39Å; S129-K133 PolarHBondContact O-N 3.43Å; T130-K133 WeakPolarHBondContact O-CB 3.49Å; T130-K133 PolarHBondContact O-N 3.34Å; K133-L136 PolarHBondContact O-N 2.8Å; K133-Q137 WeakPolarHBondContact O-CG 3.23Å; K133-Q137 PolarHBondContact O-N 2.86Å
134	N	95.4	Very high	95.1	Very high	89 Å²	89	42.1 Å²	42.1	48%	0.476	22%	0.217	S	C	.	.	H	α-helix	trans	-67.3	-40.3	175.7	-68.3	-22.7	0	0	0	112.6	T130 L131 L132 L136 Q137 G138	T130-N134 VanDerWaalsContact O-CG 3.28Å; T130-N134 PolarHBondContact O-N 2.92Å; T130-N134 VanDerWaalsContact O-N 3.1Å; T130-N134 PolarHBondContact O-ND2 3.49Å; L131-N134 PolarHBondContact O-N 2.98Å; L132-N134 VanDerWaalsContact C-N 3.28Å; L132-N134 PolarHBondContact O-N 3.11Å; N134-L136 VanDerWaalsContact C-N 3.34Å; N134-L136 PolarHBondContact O-N 3.32Å; N134-Q137 PolarHBondContact O-N 2.99Å; N134-G138 PolarHBondContact O-N 3.25Å
135	L	97.2	Very high	95.2	Very high	14 Å²	14	47.6 Å²	47.6	7%	0.073	24%	0.24	C	C	.	.	H	α-helix	trans	-62.3	-40.4	174.3	178.4	59.7	0	0	0	112.1	L131 L132 G138 L139 Y243 A246 Q247 F250	L131-L135 PolarHBondContact O-N 3.18Å; L131-L135 VanDerWaalsContact O-N 3.1Å; L132-L135 WeakPolarHBondContact O-CB 3.34Å; L132-L135 PolarHBondContact O-N 3.22Å; L132-L135 VanDerWaalsContact O-N 3.11Å; L135-G138 CarbonylContact O-C 3.6Å; L135-G138 WeakPolarHBondContact O-CA 3.35Å; L135-G138 PolarHBondContact O-N 3.43Å; L135-G138 VanDerWaalsContact O-N 3.12Å; L135-L139 PolarHBondContact O-N 2.91Å; L135-Y243 HydrophobicContact CD1-CD2 4.33Å; L135-Y243 HydrophobicContact CD1-CE2 3.57Å; L135-Y243 HydrophobicContact CG-CE2 4.27Å; L135-A246 HydrophobicContact CD1-CB 4.29Å; L135-Q247 HydrophobicContact CD1-CB 3.92Å; L135-Q247 HydrophobicContact CD1-CG 4.34Å; L135-Q247 HydrophobicContact CD2-CG 4.23Å; L135-F250 HydrophobicContact CB-CB 4.23Å; L135-F250 HydrophobicContact CB-CD2 4.23Å; L135-F250 HydrophobicContact CB-CG 4.22Å; L135-F250 HydrophobicContact CD1-CB 4.48Å; L135-F250 HydrophobicContact CD2-CB 4.03Å; L135-F250 HydrophobicContact CD2-CD1 3.64Å; L135-F250 HydrophobicContact CD2-CD2 4.28Å; L135-F250 HydrophobicContact CD2-CE1 4.17Å; L135-F250 HydrophobicContact CD2-CG 3.69Å; L135-F250 HydrophobicContact CG-CB 4.48Å; L135-F250 HydrophobicContact CG-CG 4.49Å
136	L	97.1	Very high	95.2	Very high	9 Å²	9	47.5 Å²	47.5	5%	0.047	24%	0.24	C	C	.	.	H	α-helix	trans	-69.4	-37	179.4	-68.2	164.8	0	0	0	112.4	Y82 G85 V89 L132 K133 N134 G138 L139 S140	Y82-L136 HydrophobicContact CD2-CB 4.08Å; Y82-L136 HydrophobicContact CD2-CD2 4.36Å; Y82-L136 WeakPolarHBondContact CD2-O 3.43Å; Y82-L136 HydrophobicContact CE2-CB 4.06Å; Y82-L136 WeakPolarHBondContact CE2-O 3.48Å; G85-L136 WeakPolarHBondContact O-CD1 3.32Å; V89-L136 HydrophobicContact CG2-CD1 3.77Å; L132-L136 HydrophobicContact CD1-CD1 4.25Å; L132-L136 HydrophobicContact CD1-CG 4.31Å; L132-L136 HydrophobicContact CG-CD1 3.98Å; L132-L136 WeakPolarHBondContact O-CG 3.49Å; L132-L136 PolarHBondContact O-N 3.21Å; K133-L136 PolarHBondContact O-N 2.8Å; N134-L136 VanDerWaalsContact C-N 3.34Å; N134-L136 PolarHBondContact O-N 3.32Å; L136-G138 VanDerWaalsContact C-N 3.3Å; L136-L139 WeakPolarHBondContact O-CB 3.27Å; L136-L139 PolarHBondContact O-N 2.78Å; L136-S140 WeakPolarHBondContact O-CB 3.39Å; L136-S140 PolarHBondContact O-N 3.46Å
137	Q	94.9	Very high	95.2	Very high	112 Å²	112	44.5 Å²	44.5	52%	0.523	23%	0.227	S	C	.	.	H	α-helix	trans	-60.2	-42.3	166.8	-70.1	179.2	25.1	0	0	111.1	K133 N134 L139 S140 H141	K133-Q137 WeakPolarHBondContact O-CG 3.23Å; K133-Q137 PolarHBondContact O-N 2.86Å; N134-Q137 PolarHBondContact O-N 2.99Å; Q137-L139 PolarHBondContact O-N 3.22Å; Q137-S140 PolarHBondContact O-N 3.44Å; Q137-H141 WeakPolarHBondContact O-CB 3.44Å; Q137-H141 PolarHBondContact O-N 2.96Å
138	G	94	Very high	95.2	Very high	12 Å²	12	42.4 Å²	42.4	12%	0.124	22%	0.217	C	C	.	.	H	α-helix	trans	-57.3	-43.5	172.9	0	0	0	0	0	113.4	N134 L135 L136 N142	N134-G138 PolarHBondContact O-N 3.25Å; L135-G138 CarbonylContact O-C 3.6Å; L135-G138 WeakPolarHBondContact O-CA 3.35Å; L135-G138 PolarHBondContact O-N 3.43Å; L135-G138 VanDerWaalsContact O-N 3.12Å; L136-G138 VanDerWaalsContact C-N 3.3Å; G138-N142 VanDerWaalsContact O-CB 3.32Å; G138-N142 WeakPolarHBondContact O-CB 3.35Å; G138-N142 PolarHBondContact O-N 2.67Å; G138-N142 PolarHBondContact O-ND2 3.2Å
139	L	95.7	Very high	95.2	Very high	8 Å²	8	43 Å²	43	4%	0.042	23%	0.226	C	C	.	.	H	α-helix	trans	-63.7	-44.3	175	-173.4	63.6	0	0	0	111.6	V78 I81 L135 L136 Q137 V143 I144 Y243	V78-L139 HydrophobicContact CG1-CD1 3.74Å; V78-L139 HydrophobicContact CG1-CD2 4.17Å; V78-L139 HydrophobicContact CG1-CG 3.86Å; I81-L139 HydrophobicContact CB-CD2 4.4Å; I81-L139 HydrophobicContact CG2-CD2 3.84Å; L135-L139 PolarHBondContact O-N 2.91Å; L136-L139 WeakPolarHBondContact O-CB 3.27Å; L136-L139 PolarHBondContact O-N 2.78Å; Q137-L139 PolarHBondContact O-N 3.22Å; L139-V143 HydrophobicContact CD1-CB 4.12Å; L139-V143 HydrophobicContact CD1-CG2 3.99Å; L139-V143 WeakPolarHBondContact O-CA 3.48Å; L139-V143 WeakPolarHBondContact O-CB 3.44Å; L139-V143 PolarHBondContact O-N 3.2Å; L139-I144 PolarHBondContact O-N 2.72Å; L139-Y243 HydrophobicContact CB-CD2 4.02Å; L139-Y243 HydrophobicContact CB-CE2 3.64Å; L139-Y243 HydrophobicContact CD1-CD1 4.33Å; L139-Y243 HydrophobicContact CD1-CD2 3.93Å; L139-Y243 HydrophobicContact CD1-CE1 4.05Å; L139-Y243 HydrophobicContact CD1-CE2 3.62Å; L139-Y243 HydrophobicContact CD1-CG 4.28Å; L139-Y243 HydrophobicContact CG-CE2 4.2Å
140	S	95.7	Very high	95.1	Very high	37 Å²	37	43.2 Å²	43.2	26%	0.259	23%	0.227	S	C	.	.	I	π-helix	trans	-65.1	-50.5	-179.3	-168.6	0	0	0	0	112.1	L136 Q137 I144 F145	L136-S140 WeakPolarHBondContact O-CB 3.39Å; L136-S140 PolarHBondContact O-N 3.46Å; Q137-S140 PolarHBondContact O-N 3.44Å; S140-I144 WeakPolarHBondContact O-CB 3.39Å; S140-I144 PolarHBondContact O-N 2.78Å; S140-F145 PolarHBondContact O-N 3.06Å
141	H	93.4	Very high	95	Very high	135 Å²	135	40.1 Å²	40.1	63%	0.625	21%	0.208	S	C	*	.	I	π-helix	trans	-72.2	-45.8	-177.2	-173.9	76	0	0	0	113.1	Q137 F145	Q137-H141 WeakPolarHBondContact O-CB 3.44Å; Q137-H141 PolarHBondContact O-N 2.96Å; H141-F145 WeakPolarHBondContact O-CB 2.94Å
142	N	94.3	Very high	94.8	Very high	25 Å²	25	44.9 Å²	44.9	13%	0.134	23%	0.227	C	C	.	.	I	π-helix	trans	-81.9	-38.8	-175.1	-63.8	-82.5	0	0	0	112.4	G138 T146 N239 K242	G138-N142 VanDerWaalsContact O-CB 3.32Å; G138-N142 WeakPolarHBondContact O-CB 3.35Å; G138-N142 PolarHBondContact O-N 2.67Å; G138-N142 PolarHBondContact O-ND2 3.2Å; N142-T146 VanDerWaalsContact O-CB 3.27Å; N142-T146 WeakPolarHBondContact O-CB 3.35Å; N142-T146 PolarHBondContact O-OG1 2.89Å; N142-N239 HydrophobicContact CB-CB 4.48Å; N142-N239 WeakPolarHBondContact O-CB 3.48Å; N142-K242 WeakPolarHBondContact OD1-CB 3.46Å; N142-K242 WeakPolarHBondContact OD1-CD 3.46Å
143	V	95	Very high	94.4	Very high	5 Å²	5	45.5 Å²	45.5	3%	0.03	24%	0.24	C	C	.	.	I	π-helix	trans	-104.6	-52.9	-171.1	-168.3	0	0	0	0	111.8	V78 L139 L147 L240 Y243	V78-V143 HydrophobicContact CG1-CB 4.36Å; V78-V143 HydrophobicContact CG1-CG1 4.05Å; V78-V143 HydrophobicContact CG2-CG1 4.23Å; L139-V143 HydrophobicContact CD1-CB 4.12Å; L139-V143 HydrophobicContact CD1-CG2 3.99Å; L139-V143 WeakPolarHBondContact O-CA 3.48Å; L139-V143 WeakPolarHBondContact O-CB 3.44Å; L139-V143 PolarHBondContact O-N 3.2Å; V143-L147 HydrophobicContact CG1-CD1 3.88Å; V143-L147 WeakPolarHBondContact O-CB 3.39Å; V143-L147 VanDerWaalsContact O-CG 3.26Å; V143-L147 WeakPolarHBondContact O-CG 3.25Å; V143-L147 PolarHBondContact O-N 3.46Å; V143-L240 HydrophobicContact CG1-CD2 4.1Å; V143-L240 HydrophobicContact CG2-CD2 4.07Å; V143-Y243 HydrophobicContact CG2-CD1 4.33Å; V143-Y243 HydrophobicContact CG2-CD2 4.47Å; V143-Y243 HydrophobicContact CG2-CG 3.89Å
144	I	96.1	Very high	94	Very high	12 Å²	12	43.6 Å²	43.6	6%	0.062	23%	0.233	C	C	.	.	I	π-helix	trans	-65.1	-49.8	-176.3	-64.7	175.6	0	0	0	111.2	V78 K79 Y82 L139 S140 L147 D148	V78-I144 HydrophobicContact CG1-CD1 4.1Å; V78-I144 HydrophobicContact CG1-CG1 3.53Å; K79-I144 HydrophobicContact CD-CG2 4.43Å; K79-I144 HydrophobicContact CG-CD1 4.04Å; K79-I144 HydrophobicContact CG-CG1 4.33Å; K79-I144 HydrophobicContact CG-CG2 4.19Å; Y82-I144 HydrophobicContact CD1-CD1 4.14Å; Y82-I144 HydrophobicContact CD2-CD1 4.46Å; Y82-I144 HydrophobicContact CG-CD1 3.79Å; L139-I144 PolarHBondContact O-N 2.72Å; S140-I144 WeakPolarHBondContact O-CB 3.39Å; S140-I144 PolarHBondContact O-N 2.78Å; I144-L147 PolarHBondContact O-N 2.95Å; I144-D148 WeakPolarHBondContact O-CB 3.33Å; I144-D148 PolarHBondContact O-N 3.13Å
145	F	95.3	Very high	93.7	Very high	135 Å²	135	39.3 Å²	39.3	59%	0.592	21%	0.211	S	C	*	.	H	α-helix	trans	-62.7	-45.4	-179.1	179.8	-97	0	0	0	112	S140 H141 L147 D148 S149	S140-F145 PolarHBondContact O-N 3.06Å; H141-F145 WeakPolarHBondContact O-CB 2.94Å; F145-L147 VanDerWaalsContact C-N 3.35Å; F145-L147 PolarHBondContact O-N 2.82Å; F145-D148 PolarHBondContact O-N 2.77Å; F145-S149 WeakPolarHBondContact O-CB 3.25Å; F145-S149 PolarHBondContact O-N 2.71Å
146	T	93.3	Very high	93.1	Very high	23 Å²	23	46 Å²	46	14%	0.141	24%	0.239	C	C	.	.	H	α-helix	trans	-57.5	-45.3	175.6	-55.4	0	0	0	0	111.9	N142 S149 L150 L236	N142-T146 VanDerWaalsContact O-CB 3.27Å; N142-T146 WeakPolarHBondContact O-CB 3.35Å; N142-T146 PolarHBondContact O-OG1 2.89Å; T146-S149 PolarHBondContact O-N 2.94Å; T146-L150 WeakPolarHBondContact O-CB 3.48Å; T146-L150 PolarHBondContact O-N 3.41Å; T146-L236 HydrophobicContact CG2-CD1 4.02Å
147	L	95.2	Very high	91.9	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-68.6	-38.5	176	-70.8	172.5	0	0	0	112.7	L71 V74 K75 V143 I144 F145 L151 L236	L71-L147 HydrophobicContact CD2-CD2 3.77Å; V74-L147 HydrophobicContact CG1-CD1 4.01Å; K75-L147 HydrophobicContact CB-CB 4.27Å; K75-L147 HydrophobicContact CB-CD1 4.1Å; K75-L147 HydrophobicContact CD-CB 4.36Å; K75-L147 HydrophobicContact CG-CB 4.38Å; V143-L147 HydrophobicContact CG1-CD1 3.88Å; V143-L147 WeakPolarHBondContact O-CB 3.39Å; V143-L147 VanDerWaalsContact O-CG 3.26Å; V143-L147 WeakPolarHBondContact O-CG 3.25Å; V143-L147 PolarHBondContact O-N 3.46Å; I144-L147 PolarHBondContact O-N 2.95Å; F145-L147 VanDerWaalsContact C-N 3.35Å; F145-L147 PolarHBondContact O-N 2.82Å; L147-L151 WeakPolarHBondContact O-CB 3.35Å; L147-L151 WeakPolarHBondContact O-CD1 3.23Å; L147-L151 WeakPolarHBondContact O-CG 3.44Å; L147-L151 PolarHBondContact O-N 2.87Å; L147-L151 VanDerWaalsContact O-N 3.08Å; L147-L236 HydrophobicContact CD2-CD1 3.85Å; L147-L236 HydrophobicContact CD2-CD2 4.16Å; L147-L236 HydrophobicContact CG-CD1 4.23Å
148	D	94.5	Very high	91	Very high	21 Å²	21	41 Å²	41	11%	0.112	22%	0.22	C	C	.	.	H	α-helix	trans	-64.6	-41.6	174.9	-113	-59.1	0	0	0	111.5	K75 K79 I144 F145 K152	K75-D148 WeakPolarHBondContact CE-OD1 3.47Å; K75-D148 WeakPolarHBondContact CE-OD2 3.45Å; K75-D148 IonicContact NZ-OD1 3.35Å; K75-D148 PolarHBondContact NZ-OD1 3.33Å; K75-D148 IonicContact NZ-OD2 2.55Å; K75-D148 PolarHBondContact NZ-OD2 2.97Å; K79-D148 VanDerWaalsContact CE-OD2 3.28Å; K79-D148 WeakPolarHBondContact CE-OD2 3.24Å; K79-D148 IonicContact NZ-OD2 2.64Å; K79-D148 PolarHBondContact NZ-OD2 2.86Å; I144-D148 WeakPolarHBondContact O-CB 3.33Å; I144-D148 PolarHBondContact O-N 3.13Å; F145-D148 PolarHBondContact O-N 2.77Å; D148-K152 VanDerWaalsContact O-CB 3.24Å; D148-K152 WeakPolarHBondContact O-CB 3.24Å; D148-K152 WeakPolarHBondContact O-CG 3.44Å; D148-K152 PolarHBondContact O-N 3.5Å; D148-K152 VanDerWaalsContact OD1-CD 3.31Å; D148-K152 WeakPolarHBondContact OD1-CD 3.46Å; D148-K152 WeakPolarHBondContact OD1-CE 3.46Å; D148-K152 IonicContact OD1-NZ 3.85Å; D148-K152 PolarHBondContact OD1-NZ 2.98Å
149	S	93.2	Very high	89.6	Confident	61 Å²	61	48.6 Å²	48.6	43%	0.427	25%	0.249	S	C	.	.	H	α-helix	trans	-62.3	-55.6	175.8	-174.3	0	0	0	0	111.6	F145 T146 L151 K152 G153	F145-S149 WeakPolarHBondContact O-CB 3.25Å; F145-S149 PolarHBondContact O-N 2.71Å; T146-S149 PolarHBondContact O-N 2.94Å; S149-L151 VanDerWaalsContact C-N 3.3Å; S149-L151 PolarHBondContact O-N 2.95Å; S149-K152 PolarHBondContact O-N 2.94Å; S149-G153 WeakPolarHBondContact O-CA 3.45Å; S149-G153 PolarHBondContact O-N 3.15Å
150	L	92.5	Very high	88.4	Confident	5 Å²	5	50.2 Å²	50.2	3%	0.026	27%	0.268	C	S	.	.	H	α-helix	trans	-58.6	-38.6	179.7	178.1	58.9	0	0	0	112.7	L71 T146 D154 L155 K231 K232	L71-L150 HydrophobicContact CD1-CD2 3.87Å; T146-L150 WeakPolarHBondContact O-CB 3.48Å; T146-L150 PolarHBondContact O-N 3.41Å; L150-D154 HydrophobicContact CD1-CB 4.46Å; L150-L155 HydrophobicContact CD1-CD1 4.17Å; L150-L155 HydrophobicContact CD1-CG 4.16Å; L150-L155 HydrophobicContact CD2-CD1 4.5Å; L150-L155 HydrophobicContact CG-CD1 3.93Å; L150-L155 HydrophobicContact CG-CG 4.39Å; L150-L155 WeakPolarHBondContact O-CB 3.47Å; L150-L155 PolarHBondContact O-N 2.93Å; L150-K231 HydrophobicContact CD1-CB 3.98Å; L150-K232 HydrophobicContact CD2-CB 3.86Å
151	L	93.6	Very high	87.7	Confident	5 Å²	5	53.6 Å²	53.6	3%	0.026	28%	0.283	C	S	.	.	H	α-helix	trans	-84.7	-20.1	-176.3	-72.7	165.3	0	0	0	115.4	R68 L71 Q72 K75 L147 S149 L155	R68-L151 HydrophobicContact CG-CD2 4.15Å; R68-L151 PolarHBondContact NH1-O 2.93Å; L71-L151 HydrophobicContact CB-CD1 4.07Å; L71-L151 HydrophobicContact CB-CD2 3.98Å; L71-L151 HydrophobicContact CB-CG 4.31Å; Q72-L151 HydrophobicContact CG-CD1 4.05Å; Q72-L151 HydrophobicContact CG-CD2 3.91Å; K75-L151 HydrophobicContact CB-CD1 4.28Å; K75-L151 HydrophobicContact CD-CD1 3.6Å; L147-L151 WeakPolarHBondContact O-CB 3.35Å; L147-L151 WeakPolarHBondContact O-CD1 3.23Å; L147-L151 WeakPolarHBondContact O-CG 3.44Å; L147-L151 PolarHBondContact O-N 2.87Å; L147-L151 VanDerWaalsContact O-N 3.08Å; S149-L151 VanDerWaalsContact C-N 3.3Å; S149-L151 PolarHBondContact O-N 2.95Å; L151-L155 HydrophobicContact CD2-CD1 3.94Å
152	K	91.6	Very high	87.3	Confident	136 Å²	136	49 Å²	49	59%	0.591	26%	0.263	S	S	*	.	H	α-helix	trans	-105.6	-24.7	177.4	-70.6	171.4	165.8	160.6	0	113.7	D148 S149 K156	D148-K152 VanDerWaalsContact O-CB 3.24Å; D148-K152 WeakPolarHBondContact O-CB 3.24Å; D148-K152 WeakPolarHBondContact O-CG 3.44Å; D148-K152 PolarHBondContact O-N 3.5Å; D148-K152 VanDerWaalsContact OD1-CD 3.31Å; D148-K152 WeakPolarHBondContact OD1-CD 3.46Å; D148-K152 WeakPolarHBondContact OD1-CE 3.46Å; D148-K152 IonicContact OD1-NZ 3.85Å; D148-K152 PolarHBondContact OD1-NZ 2.98Å; S149-K152 PolarHBondContact O-N 2.94Å; K152-K156 VanDerWaalsContact O-CB 3.24Å; K152-K156 WeakPolarHBondContact O-CB 3.41Å; K152-K156 WeakPolarHBondContact O-CD 3.35Å
153	G	87.7	Confident	87	Confident	42 Å²	42	49.4 Å²	49.4	43%	0.433	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-103.7	169.6	0	0	0	0	0	109.9	S149 L155 K156	S149-G153 WeakPolarHBondContact O-CA 3.45Å; S149-G153 PolarHBondContact O-N 3.15Å; G153-L155 PolarHBondContact O-N 2.79Å; G153-K156 VanDerWaalsContact O-CB 3.24Å; G153-K156 WeakPolarHBondContact O-CB 3.2Å; G153-K156 PolarHBondContact O-N 2.92Å
154	D	87.9	Confident	86.9	Confident	27 Å²	27	55.8 Å²	55.8	14%	0.144	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-29.3	-163.1	-57	-89.5	0	0	0	116.1	L150 K224 I228 K231	L150-D154 HydrophobicContact CD1-CB 4.46Å; D154-K224 IonicContact OD1-NZ 3Å; D154-K224 PolarHBondContact OD1-NZ 2.9Å; D154-I228 HydrophobicContact CB-CG1 3.88Å; D154-K231 HydrophobicContact CB-CD 4.41Å; D154-K231 IonicContact OD1-NZ 3.54Å; D154-K231 PolarHBondContact OD1-NZ 2.94Å; D154-K231 VanDerWaalsContact OD2-CD 3.3Å; D154-K231 WeakPolarHBondContact OD2-CD 3.45Å; D154-K231 IonicContact OD2-NZ 3.68Å; D154-K231 PolarHBondContact OD2-NZ 3.48Å
155	L	89.1	Confident	86.8	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	3.8	174.1	-67.3	173.5	0	0	0	113.8	L64 R68 L71 L150 L151 G153 V158 I228	L64-L155 HydrophobicContact CD2-CD2 3.97Å; R68-L155 HydrophobicContact CB-CD1 4.38Å; R68-L155 PolarHBondContact NH1-O 3.23Å; L71-L155 HydrophobicContact CD1-CD1 3.79Å; L150-L155 HydrophobicContact CD1-CD1 4.17Å; L150-L155 HydrophobicContact CD1-CG 4.16Å; L150-L155 HydrophobicContact CD2-CD1 4.5Å; L150-L155 HydrophobicContact CG-CD1 3.93Å; L150-L155 HydrophobicContact CG-CG 4.39Å; L150-L155 WeakPolarHBondContact O-CB 3.47Å; L150-L155 PolarHBondContact O-N 2.93Å; L151-L155 HydrophobicContact CD2-CD1 3.94Å; G153-L155 PolarHBondContact O-N 2.79Å; L155-V158 HydrophobicContact CB-CG2 4.36Å; L155-V158 HydrophobicContact CD2-CG2 3.96Å; L155-V158 WeakPolarHBondContact O-CG2 3.36Å; L155-I228 HydrophobicContact CD2-CG2 3.59Å; L155-I228 HydrophobicContact CG-CG2 4.34Å
156	K	84.8	Confident	86.7	Confident	153 Å²	153	51.5 Å²	51.5	67%	0.665	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	130.6	173.8	179.9	-172.4	168.1	-165.8	0	109.2	K152 G153 V158	K152-K156 VanDerWaalsContact O-CB 3.24Å; K152-K156 WeakPolarHBondContact O-CB 3.41Å; K152-K156 WeakPolarHBondContact O-CD 3.35Å; G153-K156 VanDerWaalsContact O-CB 3.24Å; G153-K156 WeakPolarHBondContact O-CB 3.2Å; G153-K156 PolarHBondContact O-N 2.92Å; K156-V158 VanDerWaalsContact C-N 3.32Å; K156-V158 PolarHBondContact O-N 3.47Å
157	G	71.8	Confident	86.7	Confident	16 Å²	16	53 Å²	53	17%	0.165	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.2	2.8	178.5	0	0	0	0	0	115.3	K159 G160 D161 L162	G157-K159 VanDerWaalsContact C-N 3.26Å; G157-K159 CarbonylContact O-C 3.52Å; G157-K159 PolarHBondContact O-N 3.37Å; G157-G160 CarbonylContact O-C 3.58Å; G157-G160 PolarHBondContact O-N 2.95Å; G157-D161 WeakPolarHBondContact CA-OD2 3.31Å; G157-D161 WeakPolarHBondContact O-CA 3.33Å; G157-D161 WeakPolarHBondContact O-CB 3.37Å; G157-D161 PolarHBondContact O-N 2.96Å; G157-L162 PolarHBondContact O-N 3.04Å; G157-L162 VanDerWaalsContact O-N 3.15Å
158	V	76.1	Confident	86.7	Confident	2 Å²	2	58.6 Å²	58.6	1%	0.012	31%	0.309	C	S	.	.	I	π-helix	trans	-41.6	-57.3	169.6	166.6	0	0	0	0	110.2	E61 L64 L155 K156 G160 L162	E61-V158 WeakPolarHBondContact OE2-CG1 3.37Å; L64-V158 HydrophobicContact CB-CG1 3.67Å; L155-V158 HydrophobicContact CB-CG2 4.36Å; L155-V158 HydrophobicContact CD2-CG2 3.96Å; L155-V158 WeakPolarHBondContact O-CG2 3.36Å; K156-V158 VanDerWaalsContact C-N 3.32Å; K156-V158 PolarHBondContact O-N 3.47Å; V158-G160 VanDerWaalsContact C-N 3.26Å; V158-G160 PolarHBondContact O-N 3.49Å; V158-L162 HydrophobicContact CG2-CD2 4.45Å
159	K	65.9	Low	86.8	Confident	170 Å²	170	57.8 Å²	57.8	74%	0.739	31%	0.305	S	S	*	.	I	π-helix	trans	-67.1	76.2	171.3	-167.5	167	-169	155.3	0	112.9	G157	G157-K159 VanDerWaalsContact C-N 3.26Å; G157-K159 CarbonylContact O-C 3.52Å; G157-K159 PolarHBondContact O-N 3.37Å
160	G	68.8	Low	86.8	Confident	42 Å²	42	55.9 Å²	55.9	43%	0.433	29%	0.288	S	S	.	.	I	π-helix	trans	125.2	-68.9	172.6	0	0	0	0	0	113.4	G157 V158 L162 K163 K164	G157-G160 CarbonylContact O-C 3.58Å; G157-G160 PolarHBondContact O-N 2.95Å; V158-G160 VanDerWaalsContact C-N 3.26Å; V158-G160 PolarHBondContact O-N 3.49Å; G160-L162 PolarHBondContact O-N 3.14Å; G160-K163 PolarHBondContact O-N 3.4Å; G160-K164 WeakPolarHBondContact O-CB 3.4Å; G160-K164 PolarHBondContact O-N 3.08Å
161	D	81.4	Confident	87	Confident	108 Å²	108	61.2 Å²	61.2	58%	0.578	31%	0.311	S	S	*	.	I	π-helix	trans	-63.8	-37.4	-168	-57.7	-48.5	0	0	0	113.6	G157 P165	G157-D161 WeakPolarHBondContact CA-OD2 3.31Å; G157-D161 WeakPolarHBondContact O-CA 3.33Å; G157-D161 WeakPolarHBondContact O-CB 3.37Å; G157-D161 PolarHBondContact O-N 2.96Å; D161-P165 WeakPolarHBondContact O-CD 3.43Å
162	L	84.9	Confident	87.1	Confident	38 Å²	38	63.5 Å²	63.5	20%	0.199	32%	0.323	C	S	.	.	I	π-helix	trans	-69.8	-42.2	-179.9	-176.8	62.3	0	0	0	112.4	L64 G157 V158 G160 P165 Y221 K224 V225 I228	L64-L162 HydrophobicContact CD1-CD2 4.27Å; G157-L162 PolarHBondContact O-N 3.04Å; G157-L162 VanDerWaalsContact O-N 3.15Å; V158-L162 HydrophobicContact CG2-CD2 4.45Å; G160-L162 PolarHBondContact O-N 3.14Å; L162-P165 WeakPolarHBondContact O-CD 3.48Å; L162-Y221 HydrophobicContact CD2-CE2 4.07Å; L162-Y221 HydrophobicContact CG-CD2 4.09Å; L162-Y221 HydrophobicContact CG-CE2 3.75Å; L162-K224 HydrophobicContact CD1-CB 4.08Å; L162-K224 HydrophobicContact CD1-CG 3.64Å; L162-V225 HydrophobicContact CD2-CG2 4.4Å; L162-I228 HydrophobicContact CD2-CD1 4.1Å
163	K	88.6	Confident	87.2	Confident	35 Å²	35	57.9 Å²	57.9	15%	0.152	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-25.5	-178.4	179.8	169.1	176.4	168.8	0	113.7	V57 T58 E61 G160 P165 F166 D167 Y221	V57-K163 HydrophobicContact CG1-CD 3.86Å; V57-K163 HydrophobicContact CG1-CG 3.94Å; T58-K163 PolarHBondContact OG1-NZ 2.87Å; E61-K163 HydrophobicContact CG-CB 4.21Å; E61-K163 HydrophobicContact CG-CD 3.82Å; G160-K163 PolarHBondContact O-N 3.4Å; K163-P165 VanDerWaalsContact C-CD 3.45Å; K163-F166 WeakPolarHBondContact O-CB 3.42Å; K163-F166 PolarHBondContact O-N 3.43Å; K163-F166 VanDerWaalsContact O-N 3.08Å; K163-D167 WeakPolarHBondContact CE-OD1 3.31Å; K163-D167 WeakPolarHBondContact CE-OD2 3.21Å; K163-D167 PolarHBondContact O-N 3.11Å; K163-Y221 HydrophobicContact CB-CE2 4.43Å
164	K	92.7	Very high	87.5	Confident	139 Å²	139	59.9 Å²	59.9	60%	0.604	30%	0.297	S	S	*	.	H	α-helix	trans	-51.7	-39.1	-175.6	173.4	178.4	179.6	-176.9	0	115.7	G160 K168	G160-K164 WeakPolarHBondContact O-CB 3.4Å; G160-K164 PolarHBondContact O-N 3.08Å; K164-K168 WeakPolarHBondContact O-CB 3.45Å; K164-K168 PolarHBondContact O-N 3.21Å
165	P	93.1	Very high	87.8	Confident	55 Å²	55	63.2 Å²	63.2	36%	0.357	32%	0.318	S	S	.	.	H	α-helix	trans	-67.8	-41.1	176.3	-19.5	33.3	0	0	0	112.6	D161 L162 K163 K168 A169	D161-P165 WeakPolarHBondContact O-CD 3.43Å; L162-P165 WeakPolarHBondContact O-CD 3.48Å; K163-P165 VanDerWaalsContact C-CD 3.45Å; P165-K168 PolarHBondContact O-N 2.92Å; P165-A169 PolarHBondContact O-N 3.3Å
166	F	94.6	Very high	88	Confident	2 Å²	2	66 Å²	66	1%	0.009	33%	0.33	C	S	.	.	H	α-helix	trans	-64.4	-49	173.8	173.8	-88.2	0	0	0	111.8	R54 V57 K163 K168 A169 W170 F214 M218	R54-F166 HydrophobicContact CB-CE1 4.42Å; R54-F166 HydrophobicContact CB-CZ 4.33Å; V57-F166 HydrophobicContact CB-CD1 4.28Å; V57-F166 HydrophobicContact CB-CE1 3.97Å; V57-F166 HydrophobicContact CB-CZ 4.23Å; V57-F166 HydrophobicContact CG1-CD1 3.84Å; V57-F166 HydrophobicContact CG1-CE1 4Å; V57-F166 HydrophobicContact CG1-CG 4.4Å; V57-F166 HydrophobicContact CG2-CD1 4.13Å; V57-F166 HydrophobicContact CG2-CD2 4.1Å; V57-F166 HydrophobicContact CG2-CE1 3.88Å; V57-F166 HydrophobicContact CG2-CE2 3.83Å; V57-F166 HydrophobicContact CG2-CG 4.24Å; V57-F166 HydrophobicContact CG2-CZ 3.72Å; K163-F166 WeakPolarHBondContact O-CB 3.42Å; K163-F166 PolarHBondContact O-N 3.43Å; K163-F166 VanDerWaalsContact O-N 3.08Å; F166-K168 PolarHBondContact O-N 3.02Å; F166-A169 PolarHBondContact O-N 3.01Å; F166-A169 VanDerWaalsContact O-N 3.11Å; F166-W170 PolarHBondContact O-N 3.2Å; F166-F214 HydrophobicContact CD2-CE2 4.02Å; F166-F214 HydrophobicContact CD2-CZ 4.49Å; F166-F214 HydrophobicContact CE1-CE2 4.39Å; F166-F214 HydrophobicContact CE2-CD2 4.24Å; F166-F214 HydrophobicContact CE2-CE1 4.48Å; F166-F214 AromaticContact CE2-CE2 3.27Å; F166-F214 HydrophobicContact CE2-CE2 3.27Å; F166-F214 AromaticContact CE2-CZ 3.43Å; F166-F214 HydrophobicContact CE2-CZ 3.43Å; F166-F214 VanDerWaalsContact CE2-CZ 3.43Å; F166-F214 AromaticContact CZ-CE2 3.49Å; F166-F214 HydrophobicContact CZ-CE2 3.49Å; F166-F214 VanDerWaalsContact CZ-CE2 3.49Å; F166-F214 AromaticContact CZ-CZ 3.68Å; F166-F214 HydrophobicContact CZ-CZ 3.68Å; F166-M218 HydrophobicContact CD2-CB 4.22Å; F166-M218 HydrophobicContact CD2-SD 3.98Å; F166-M218 HydrophobicContact CE2-CB 4.11Å; F166-M218 HydrophobicContact CE2-CG 4.31Å; F166-M218 HydrophobicContact CE2-SD 3.47Å; F166-M218 WeakPolarHBondContact CE2-SD 3.1Å; F166-M218 HydrophobicContact CZ-SD 4.28Å
167	D	93.5	Very high	88.3	Confident	53 Å²	53	62.5 Å²	62.5	28%	0.283	32%	0.315	S	S	.	.	H	α-helix	trans	-61.5	-28.6	177.7	-89.4	1.9	0	0	0	112.5	K163 K171	K163-D167 WeakPolarHBondContact CE-OD1 3.31Å; K163-D167 WeakPolarHBondContact CE-OD2 3.21Å; K163-D167 PolarHBondContact O-N 3.11Å; D167-K171 WeakPolarHBondContact O-CD 3.14Å; D167-K171 VanDerWaalsContact O-CG 3.28Å; D167-K171 WeakPolarHBondContact O-CG 3.35Å; D167-K171 PolarHBondContact O-N 3.42Å
168	K	95.4	Very high	89.1	Confident	121 Å²	121	65.6 Å²	65.6	53%	0.526	33%	0.331	S	S	.	.	H	α-helix	trans	-70.6	-52.5	170.6	-174.4	-173.6	179.6	-75.4	0	110.9	K164 P165 F166 W170 K171 D172	K164-K168 WeakPolarHBondContact O-CB 3.45Å; K164-K168 PolarHBondContact O-N 3.21Å; P165-K168 PolarHBondContact O-N 2.92Å; F166-K168 PolarHBondContact O-N 3.02Å; K168-W170 VanDerWaalsContact C-N 3.26Å; K168-W170 PolarHBondContact O-N 2.83Å; K168-K171 PolarHBondContact O-N 3.17Å; K168-D172 IonicContact NZ-OD1 3.84Å; K168-D172 IonicContact NZ-OD2 3.68Å; K168-D172 PolarHBondContact NZ-OD2 3.24Å; K168-D172 VanDerWaalsContact O-CG 3.29Å; K168-D172 PolarHBondContact O-N 3.38Å
169	A	95.8	Very high	89.8	Confident	3 Å²	3	71.2 Å²	71.2	3%	0.025	36%	0.355	C	S	.	.	H	α-helix	trans	-60.5	-35.8	-179.1	0	0	0	0	0	112.5	P165 F166 Y173 L213 F214 Q217	P165-A169 PolarHBondContact O-N 3.3Å; F166-A169 PolarHBondContact O-N 3.01Å; F166-A169 VanDerWaalsContact O-N 3.11Å; A169-Y173 WeakPolarHBondContact O-CB 3.46Å; A169-Y173 PolarHBondContact O-N 3.03Å; A169-L213 HydrophobicContact CB-CG 4.16Å; A169-F214 HydrophobicContact CB-CB 4.49Å; A169-Q217 HydrophobicContact CB-CB 4.08Å; A169-Q217 HydrophobicContact CB-CG 3.86Å
170	W	94.3	Very high	90.8	Very high	21 Å²	21	63.1 Å²	63.1	8%	0.08	32%	0.32	C	S	.	.	H	α-helix	trans	-57	-52.9	169.5	176.8	-82.4	0	0	0	111.9	L50 R54 F166 K168 Y173 E174 F214	L50-W170 HydrophobicContact CB-CH2 4.2Å; L50-W170 HydrophobicContact CB-CZ3 3.85Å; L50-W170 VanDerWaalsContact O-CZ3 3.3Å; L50-W170 WeakPolarHBondContact O-CZ3 3.41Å; R54-W170 HydrophobicContact CB-CE3 4.01Å; R54-W170 HydrophobicContact CB-CH2 4.36Å; R54-W170 HydrophobicContact CB-CZ3 3.85Å; R54-W170 HydrophobicContact CG-CE3 4.45Å; R54-W170 VanDerWaalsContact NH1-CZ2 3.32Å; F166-W170 PolarHBondContact O-N 3.2Å; K168-W170 VanDerWaalsContact C-N 3.26Å; K168-W170 PolarHBondContact O-N 2.83Å; W170-Y173 WeakPolarHBondContact O-CB 3.46Å; W170-Y173 PolarHBondContact O-N 3.17Å; W170-E174 PolarHBondContact NE1-OE1 2.83Å; W170-E174 PolarHBondContact NE1-OE2 3.2Å; W170-E174 VanDerWaalsContact O-CB 3.3Å; W170-E174 WeakPolarHBondContact O-CB 3.41Å; W170-E174 PolarHBondContact O-N 3.38Å; W170-F214 HydrophobicContact CB-CE2 4.34Å; W170-F214 AromaticContact CE3-CE2 3.73Å; W170-F214 HydrophobicContact CE3-CE2 3.73Å; W170-F214 HydrophobicContact CE3-CZ 4.12Å; W170-F214 HydrophobicContact CZ3-CE2 4.49Å; W170-F214 HydrophobicContact CZ3-CZ 4.47Å
171	K	95.7	Very high	91.5	Very high	118 Å²	118	64.1 Å²	64.1	51%	0.513	31%	0.313	S	S	.	.	H	α-helix	trans	-68	-37.3	-176.5	-72.8	170.9	-176.2	173	0	112.6	D167 K168 T175	D167-K171 WeakPolarHBondContact O-CD 3.14Å; D167-K171 VanDerWaalsContact O-CG 3.28Å; D167-K171 WeakPolarHBondContact O-CG 3.35Å; D167-K171 PolarHBondContact O-N 3.42Å; K168-K171 PolarHBondContact O-N 3.17Å; K171-T175 VanDerWaalsContact O-CB 3.24Å; K171-T175 WeakPolarHBondContact O-CB 3.5Å; K171-T175 PolarHBondContact O-N 3.04Å; K171-T175 PolarHBondContact O-OG1 2.95Å
172	D	94.9	Very high	91.7	Very high	53 Å²	53	65.2 Å²	65.2	28%	0.283	31%	0.313	S	S	.	.	H	α-helix	trans	-61.5	-45.8	174.3	-67.5	-13.9	0	0	0	109.9	K168 K176	K168-D172 IonicContact NZ-OD1 3.84Å; K168-D172 IonicContact NZ-OD2 3.68Å; K168-D172 PolarHBondContact NZ-OD2 3.24Å; K168-D172 VanDerWaalsContact O-CG 3.29Å; K168-D172 PolarHBondContact O-N 3.38Å; D172-K176 WeakPolarHBondContact O-CB 3.27Å; D172-K176 PolarHBondContact O-N 3.11Å
173	Y	94.5	Very high	91.7	Very high	18 Å²	18	67.9 Å²	67.9	7%	0.071	32%	0.324	C	S	.	.	H	α-helix	trans	-61.7	-52.1	174.2	-177.5	-77.1	0	0	0	112.4	L50 A169 W170 T175 K176 F177 M207 E210 R211	L50-Y173 HydrophobicContact CD1-CD1 4.18Å; L50-Y173 HydrophobicContact CD1-CE1 3.42Å; L50-Y173 VanDerWaalsContact CD1-CE1 3.42Å; L50-Y173 HydrophobicContact CD1-CE2 4.27Å; L50-Y173 VanDerWaalsContact CD1-CZ 3.49Å; A169-Y173 WeakPolarHBondContact O-CB 3.46Å; A169-Y173 PolarHBondContact O-N 3.03Å; W170-Y173 WeakPolarHBondContact O-CB 3.46Å; W170-Y173 PolarHBondContact O-N 3.17Å; Y173-T175 VanDerWaalsContact C-N 3.33Å; Y173-T175 PolarHBondContact O-N 3.1Å; Y173-K176 PolarHBondContact O-N 3.42Å; Y173-F177 HydrophobicContact CE1-CB 4.31Å; Y173-F177 VanDerWaalsContact O-CB 3.31Å; Y173-F177 WeakPolarHBondContact O-CB 3.22Å; Y173-F177 PolarHBondContact O-N 3.3Å; Y173-M207 HydrophobicContact CD1-CE 4Å; Y173-M207 HydrophobicContact CD2-CE 3.33Å; Y173-M207 HydrophobicContact CE1-CE 3.96Å; Y173-M207 HydrophobicContact CE2-CE 3.31Å; Y173-M207 HydrophobicContact CG-CE 3.67Å; Y173-E210 HydrophobicContact CD2-CB 4.35Å; Y173-R211 HydrophobicContact CD2-CB 4.33Å; Y173-R211 HydrophobicContact CE2-CB 3.96Å; Y173-R211 HydrophobicContact CE2-CG 4.25Å
174	E	93.9	Very high	91.2	Very high	84 Å²	84	68 Å²	68	39%	0.393	33%	0.325	S	S	.	.	H	α-helix	trans	-58.2	-44.8	-178.3	-170	171.8	-110.8	0	0	110.9	R54 W170 T178	R54-E174 IonicContact NH1-OE1 3.88Å; W170-E174 PolarHBondContact NE1-OE1 2.83Å; W170-E174 PolarHBondContact NE1-OE2 3.2Å; W170-E174 VanDerWaalsContact O-CB 3.3Å; W170-E174 WeakPolarHBondContact O-CB 3.41Å; W170-E174 PolarHBondContact O-N 3.38Å; E174-T178 PolarHBondContact O-N 3.38Å; E174-T178 PolarHBondContact O-OG1 2.9Å
175	T	94.4	Very high	90.4	Very high	97 Å²	97	66.8 Å²	66.8	60%	0.595	32%	0.317	S	S	*	.	H	α-helix	trans	-65.3	-45.7	177.2	-54.9	0	0	0	0	112.3	K171 Y173 K179	K171-T175 VanDerWaalsContact O-CB 3.24Å; K171-T175 WeakPolarHBondContact O-CB 3.5Å; K171-T175 PolarHBondContact O-N 3.04Å; K171-T175 PolarHBondContact O-OG1 2.95Å; Y173-T175 VanDerWaalsContact C-N 3.33Å; Y173-T175 PolarHBondContact O-N 3.1Å; T175-K179 WeakPolarHBondContact O-CB 3.34Å; T175-K179 PolarHBondContact O-N 2.78Å
176	K	93.1	Very high	89.8	Confident	59 Å²	59	68.5 Å²	68.5	26%	0.257	32%	0.32	S	S	.	.	H	α-helix	trans	-65.9	-40.5	179.5	174.7	73.7	161.8	142.2	0	111.4	D172 Y173 K179 I180 E206 M207 E210	D172-K176 WeakPolarHBondContact O-CB 3.27Å; D172-K176 PolarHBondContact O-N 3.11Å; Y173-K176 PolarHBondContact O-N 3.42Å; K176-K179 PolarHBondContact O-N 3.11Å; K176-I180 HydrophobicContact CD-CD1 3.98Å; K176-I180 HydrophobicContact CG-CD1 4.02Å; K176-I180 WeakPolarHBondContact O-CG1 3.32Å; K176-I180 PolarHBondContact O-N 2.75Å; K176-E206 WeakPolarHBondContact CE-O 3.35Å; K176-E206 PolarHBondContact NZ-O 2.87Å; K176-M207 HydrophobicContact CB-CE 4.33Å; K176-M207 HydrophobicContact CB-SD 4.13Å; K176-M207 HydrophobicContact CG-CE 4.12Å; K176-M207 HydrophobicContact CG-SD 3.51Å; K176-M207 VanDerWaalsContact CG-SD 3.51Å; K176-E210 HydrophobicContact CB-CG 3.98Å; K176-E210 WeakPolarHBondContact CE-OE2 3.41Å; K176-E210 HydrophobicContact CG-CB 4.45Å; K176-E210 HydrophobicContact CG-CG 3.91Å
177	F	90	Very high	88.9	Confident	78 Å²	78	73.4 Å²	73.4	34%	0.342	34%	0.343	S	S	.	.	H	α-helix	trans	-62.8	-52.4	176.6	-179.7	-94.6	0	0	0	111.5	Y173 K179 I180 E181 I203 M207	Y173-F177 HydrophobicContact CE1-CB 4.31Å; Y173-F177 VanDerWaalsContact O-CB 3.31Å; Y173-F177 WeakPolarHBondContact O-CB 3.22Å; Y173-F177 PolarHBondContact O-N 3.3Å; F177-K179 PolarHBondContact O-N 3.47Å; F177-I180 PolarHBondContact O-N 3.32Å; F177-E181 VanDerWaalsContact O-CB 3.28Å; F177-E181 WeakPolarHBondContact O-CB 3.41Å; F177-E181 PolarHBondContact O-N 2.7Å; F177-I203 HydrophobicContact CD2-CG2 4.33Å; F177-I203 HydrophobicContact CE2-CG2 4.14Å; F177-M207 HydrophobicContact CB-CE 4.05Å; F177-M207 HydrophobicContact CB-SD 3.98Å; F177-M207 HydrophobicContact CD2-SD 4.48Å
178	T	89.8	Confident	87.9	Confident	82 Å²	82	72.2 Å²	72.2	50%	0.503	34%	0.34	S	S	.	.	H	α-helix	trans	-60	-34	176.7	-58.9	0	0	0	0	112.1	E174 K182	E174-T178 PolarHBondContact O-N 3.38Å; E174-T178 PolarHBondContact O-OG1 2.9Å; T178-K182 WeakPolarHBondContact O-CB 3.23Å; T178-K182 PolarHBondContact O-N 2.9Å; T178-K182 VanDerWaalsContact O-N 3.09Å
179	K	90.5	Very high	86.9	Confident	119 Å²	119	74 Å²	74	52%	0.517	35%	0.348	S	S	.	.	H	α-helix	trans	-64.3	-55.3	174.3	-178.7	179.7	171.1	-178	0	111.8	T175 K176 F177 E181 K182 E183	T175-K179 WeakPolarHBondContact O-CB 3.34Å; T175-K179 PolarHBondContact O-N 2.78Å; K176-K179 PolarHBondContact O-N 3.11Å; F177-K179 PolarHBondContact O-N 3.47Å; K179-E181 VanDerWaalsContact C-N 3.34Å; K179-E181 PolarHBondContact O-N 3.05Å; K179-K182 PolarHBondContact O-N 3.48Å; K179-E183 WeakPolarHBondContact CE-OE1 3.48Å; K179-E183 WeakPolarHBondContact CE-OE2 3.42Å; K179-E183 HydrophobicContact CG-CG 4.45Å; K179-E183 WeakPolarHBondContact CG-OE2 3.37Å; K179-E183 IonicContact NZ-OE1 4Å; K179-E183 PolarHBondContact NZ-OE1 3.29Å; K179-E183 WeakPolarHBondContact O-CG 3.34Å; K179-E183 PolarHBondContact O-N 2.83Å
180	I	86.6	Confident	85.7	Confident	1 Å²	1	80.6 Å²	80.6	1%	0.005	38%	0.378	C	S	.	.	H	α-helix	trans	-60.9	-43.7	180	-68.7	161.2	0	0	0	110.8	K176 F177 K182 E183 K184 I203 E206 M207	K176-I180 HydrophobicContact CD-CD1 3.98Å; K176-I180 HydrophobicContact CG-CD1 4.02Å; K176-I180 WeakPolarHBondContact O-CG1 3.32Å; K176-I180 PolarHBondContact O-N 2.75Å; F177-I180 PolarHBondContact O-N 3.32Å; I180-K182 VanDerWaalsContact C-N 3.28Å; I180-K182 PolarHBondContact O-N 2.7Å; I180-E183 PolarHBondContact O-N 3.41Å; I180-K184 HydrophobicContact CG2-CG 3.85Å; I180-K184 WeakPolarHBondContact O-CB 3.45Å; I180-K184 VanDerWaalsContact O-CG 3.32Å; I180-K184 WeakPolarHBondContact O-CG 3.35Å; I180-K184 PolarHBondContact O-N 2.72Å; I180-I203 HydrophobicContact CG2-CG1 4.29Å; I180-I203 HydrophobicContact CG2-CG2 4.45Å; I180-E206 HydrophobicContact CD1-CB 3.69Å; I180-E206 HydrophobicContact CG1-CB 4.42Å; I180-M207 HydrophobicContact CD1-CG 3.91Å; I180-M207 HydrophobicContact CD1-SD 3.6Å; I180-M207 VanDerWaalsContact CD1-SD 3.6Å
181	E	83.8	Confident	84.6	Confident	62 Å²	62	85.3 Å²	85.3	29%	0.29	40%	0.401	S	S	.	.	H	α-helix	trans	-61.8	-36.9	179.7	-164.8	-134.5	-158.2	0	0	111.6	F177 K179 R185	F177-E181 VanDerWaalsContact O-CB 3.28Å; F177-E181 WeakPolarHBondContact O-CB 3.41Å; F177-E181 PolarHBondContact O-N 2.7Å; K179-E181 VanDerWaalsContact C-N 3.34Å; K179-E181 PolarHBondContact O-N 3.05Å; E181-R185 WeakPolarHBondContact O-CB 3.5Å; E181-R185 PolarHBondContact O-N 3.21Å; E181-R185 IonicContact OE1-CZ 2.71Å; E181-R185 IonicContact OE1-NH1 2.69Å; E181-R185 IonicContact OE1-NH2 3.69Å; E181-R185 PolarHBondContact OE1-NH2 3.23Å; E181-R185 IonicContact OE2-CZ 3.72Å; E181-R185 IonicContact OE2-NH1 3.58Å; E181-R185 PolarHBondContact OE2-NH1 2.83Å; E181-R185 IonicContact OE2-NH2 3.15Å; E181-R185 PolarHBondContact OE2-NH2 2.71Å
182	K	85.1	Confident	82.9	Confident	131 Å²	131	82.8 Å²	82.8	57%	0.57	41%	0.409	S	S	*	.	H	α-helix	trans	-67.3	-51.3	170.5	-173.2	-170.5	171.4	-166.1	0	111.7	T178 K179 I180 K184 R185 E186	T178-K182 WeakPolarHBondContact O-CB 3.23Å; T178-K182 PolarHBondContact O-N 2.9Å; T178-K182 VanDerWaalsContact O-N 3.09Å; K179-K182 PolarHBondContact O-N 3.48Å; I180-K182 VanDerWaalsContact C-N 3.28Å; I180-K182 PolarHBondContact O-N 2.7Å; K182-K184 PolarHBondContact O-N 3.28Å; K182-R185 PolarHBondContact O-N 2.99Å; K182-E186 WeakPolarHBondContact O-CB 3.29Å; K182-E186 PolarHBondContact O-N 2.89Å
183	E	84.8	Confident	81.2	Confident	94 Å²	94	85.5 Å²	85.5	44%	0.439	42%	0.421	S	S	.	.	H	α-helix	trans	-62.2	-44.8	-175.3	-73.4	174.5	151.5	0	0	111.9	K179 I180 E186 H187	K179-E183 WeakPolarHBondContact CE-OE1 3.48Å; K179-E183 WeakPolarHBondContact CE-OE2 3.42Å; K179-E183 HydrophobicContact CG-CG 4.45Å; K179-E183 WeakPolarHBondContact CG-OE2 3.37Å; K179-E183 IonicContact NZ-OE1 4Å; K179-E183 PolarHBondContact NZ-OE1 3.29Å; K179-E183 WeakPolarHBondContact O-CG 3.34Å; K179-E183 PolarHBondContact O-N 2.83Å; I180-E183 PolarHBondContact O-N 3.41Å; E183-E186 PolarHBondContact O-N 2.87Å; E183-H187 WeakPolarHBondContact O-CB 3.41Å; E183-H187 PolarHBondContact O-N 3.41Å
184	K	78.9	Confident	79.3	Confident	39 Å²	39	93 Å²	93	17%	0.17	46%	0.46	C	S	.	.	H	α-helix	trans	-65.2	-40.7	174.6	-65.9	-76.6	-174.3	174.6	0	112.2	I180 K182 E186 H187 A188 I198 E202 E206	I180-K184 HydrophobicContact CG2-CG 3.85Å; I180-K184 WeakPolarHBondContact O-CB 3.45Å; I180-K184 VanDerWaalsContact O-CG 3.32Å; I180-K184 WeakPolarHBondContact O-CG 3.35Å; I180-K184 PolarHBondContact O-N 2.72Å; K182-K184 PolarHBondContact O-N 3.28Å; K184-E186 VanDerWaalsContact C-N 3.26Å; K184-E186 PolarHBondContact O-N 3.35Å; K184-H187 PolarHBondContact O-N 2.96Å; K184-A188 WeakPolarHBondContact O-CB 3.23Å; K184-A188 PolarHBondContact O-N 3.35Å; K184-I198 HydrophobicContact CB-CD1 3.62Å; K184-I198 HydrophobicContact CB-CG1 4.04Å; K184-I198 HydrophobicContact CB-CG2 4Å; K184-I198 HydrophobicContact CD-CG2 4.33Å; K184-I198 HydrophobicContact CG-CG2 4.18Å; K184-E202 IonicContact NZ-OE2 2.68Å; K184-E202 PolarHBondContact NZ-OE2 3.46Å; K184-E206 WeakPolarHBondContact CE-OE1 2.91Å; K184-E206 IonicContact NZ-OE1 3.73Å; K184-E206 PolarHBondContact NZ-OE1 3.07Å
185	R	76.5	Confident	77.2	Confident	112 Å²	112	97.2 Å²	97.2	42%	0.423	47%	0.473	S	S	.	.	H	α-helix	trans	-65.6	-28.4	174.8	-178.4	-175.3	-71.9	123	-10.6	112.5	E181 K182 K189	E181-R185 WeakPolarHBondContact O-CB 3.5Å; E181-R185 PolarHBondContact O-N 3.21Å; E181-R185 IonicContact OE1-CZ 2.71Å; E181-R185 IonicContact OE1-NH1 2.69Å; E181-R185 IonicContact OE1-NH2 3.69Å; E181-R185 PolarHBondContact OE1-NH2 3.23Å; E181-R185 IonicContact OE2-CZ 3.72Å; E181-R185 IonicContact OE2-NH1 3.58Å; E181-R185 PolarHBondContact OE2-NH1 2.83Å; E181-R185 IonicContact OE2-NH2 3.15Å; E181-R185 PolarHBondContact OE2-NH2 2.71Å; K182-R185 PolarHBondContact O-N 2.99Å; R185-K189 WeakPolarHBondContact O-CG 3.16Å
186	E	79.3	Confident	75.3	Confident	91 Å²	91	99.1 Å²	99.1	43%	0.425	48%	0.484	S	S	.	.	H	α-helix	trans	-80.2	-43.7	176	-165.3	160.4	171.2	0	0	111.2	K182 E183 K184 A188 K189 Q190	K182-E186 WeakPolarHBondContact O-CB 3.29Å; K182-E186 PolarHBondContact O-N 2.89Å; E183-E186 PolarHBondContact O-N 2.87Å; K184-E186 VanDerWaalsContact C-N 3.26Å; K184-E186 PolarHBondContact O-N 3.35Å; E186-A188 PolarHBondContact O-N 2.87Å; E186-K189 WeakPolarHBondContact O-CB 3.39Å; E186-K189 PolarHBondContact O-N 3.38Å; E186-Q190 WeakPolarHBondContact O-CG 3.34Å; E186-Q190 PolarHBondContact O-N 3.2Å; E186-Q190 VanDerWaalsContact O-N 3.07Å
187	H	75.5	Confident	73.4	Confident	106 Å²	106	103.6 Å²	103.6	49%	0.491	51%	0.506	S	S	.	.	H	α-helix	trans	-57.6	-45	172.9	-171.9	-92.6	0	0	0	112.6	E183 K184 K189 Q190 H191	E183-H187 WeakPolarHBondContact O-CB 3.41Å; E183-H187 PolarHBondContact O-N 3.41Å; K184-H187 PolarHBondContact O-N 2.96Å; H187-K189 VanDerWaalsContact C-N 3.27Å; H187-K189 PolarHBondContact O-N 3.43Å; H187-Q190 PolarHBondContact O-N 3.08Å; H187-Q190 VanDerWaalsContact O-N 3.13Å; H187-H191 AromaticContact CE1-CD2 3.47Å; H187-H191 PolarHBondContact CE1-CD2 3.07Å; H187-H191 VanDerWaalsContact CE1-CD2 3.47Å; H187-H191 AromaticContact CE1-NE2 3.63Å; H187-H191 AromaticContact ND1-CD2 3.73Å; H187-H191 AromaticContact NE2-CD2 3.72Å; H187-H191 AromaticContact NE2-NE2 3.51Å; H187-H191 PolarHBondContact O-CD2 3.33Å; H187-H191 PolarHBondContact O-N 3.35Å; H187-H191 VanDerWaalsContact O-N 3.09Å
188	A	72.8	Confident	72.1	Confident	28 Å²	28	102.3 Å²	102.3	23%	0.231	50%	0.502	C	S	.	.	H	α-helix	trans	-58.6	-37.3	176.6	0	0	0	0	0	112.9	K184 E186 M193	K184-A188 WeakPolarHBondContact O-CB 3.23Å; K184-A188 PolarHBondContact O-N 3.35Å; E186-A188 PolarHBondContact O-N 2.87Å; A188-M193 PolarHBondContact O-N 2.96Å
189	K	74.7	Confident	71	Confident	158 Å²	158	102.4 Å²	102.4	69%	0.687	50%	0.503	S	S	*	.	H	α-helix	trans	-69.1	-41.6	174.6	-68.3	170.5	-178.6	-177.9	0	112	R185 E186 H187 H191 G192	R185-K189 WeakPolarHBondContact O-CG 3.16Å; E186-K189 WeakPolarHBondContact O-CB 3.39Å; E186-K189 PolarHBondContact O-N 3.38Å; H187-K189 VanDerWaalsContact C-N 3.27Å; H187-K189 PolarHBondContact O-N 3.43Å; K189-H191 VanDerWaalsContact C-N 3.29Å; K189-H191 PolarHBondContact O-N 3.38Å; K189-G192 PolarHBondContact O-N 2.88Å
190	Q	70.8	Confident	69.9	Low	141 Å²	141	99.1 Å²	99.1	66%	0.659	50%	0.503	S	S	*	.	H	α-helix	trans	-64.3	-33.8	-179.6	-69.9	175.2	10.9	0	0	112.3	E186 H187 G192	E186-Q190 WeakPolarHBondContact O-CG 3.34Å; E186-Q190 PolarHBondContact O-N 3.2Å; E186-Q190 VanDerWaalsContact O-N 3.07Å; H187-Q190 PolarHBondContact O-N 3.08Å; H187-Q190 VanDerWaalsContact O-N 3.13Å; Q190-G192 VanDerWaalsContact C-N 3.31Å; Q190-G192 PolarHBondContact O-N 2.94Å
191	H	70.3	Confident	69.2	Low	121 Å²	121	101.2 Å²	101.2	56%	0.56	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	7.4	176.4	-77	-79.6	0	0	0	115	H187 K189 M193	H187-H191 AromaticContact CE1-CD2 3.47Å; H187-H191 PolarHBondContact CE1-CD2 3.07Å; H187-H191 VanDerWaalsContact CE1-CD2 3.47Å; H187-H191 AromaticContact CE1-NE2 3.63Å; H187-H191 AromaticContact ND1-CD2 3.73Å; H187-H191 AromaticContact NE2-CD2 3.72Å; H187-H191 AromaticContact NE2-NE2 3.51Å; H187-H191 PolarHBondContact O-CD2 3.33Å; H187-H191 PolarHBondContact O-N 3.35Å; H187-H191 VanDerWaalsContact O-N 3.09Å; K189-H191 VanDerWaalsContact C-N 3.29Å; K189-H191 PolarHBondContact O-N 3.38Å; H191-M193 HydrophobicContact CB-CG 4.4Å; H191-M193 PolarHBondContact O-N 3.48Å; H191-M193 VanDerWaalsContact O-N 3.12Å
192	G	61.8	Low	68.7	Low	65 Å²	65	101.9 Å²	101.9	67%	0.67	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.4	11.8	175.7	0	0	0	0	0	115.1	K189 Q190	K189-G192 PolarHBondContact O-N 2.88Å; Q190-G192 VanDerWaalsContact C-N 3.31Å; Q190-G192 PolarHBondContact O-N 2.94Å
193	M	57.6	Low	68.4	Low	110 Å²	110	97 Å²	97	54%	0.542	50%	0.503	S	S	.	.			trans	-84.2	117.4	-176.9	-64.6	-173.2	75.2	0	0	110.6	A188 H191 R195	A188-M193 PolarHBondContact O-N 2.96Å; H191-M193 HydrophobicContact CB-CG 4.4Å; H191-M193 PolarHBondContact O-N 3.48Å; H191-M193 VanDerWaalsContact O-N 3.12Å; M193-R195 HydrophobicContact CB-CB 4.35Å; M193-R195 PolarHBondContact O-N 2.9Å
194	I	55.1	Low	68.2	Low	175 Å²	175	93 Å²	93	90%	0.897	49%	0.486	S	S	*	.			trans	-77.4	59.9	167	-44.9	178.4	0	0	0	109
195	R	49.5	Very low	68.3	Low	173 Å²	173	98.3 Å²	98.3	65%	0.653	51%	0.512	S	S	*	.			trans	-114.5	100.4	175.5	-155	170.9	-167	142.9	5	107.9	M193 E197	M193-R195 HydrophobicContact CB-CB 4.35Å; M193-R195 PolarHBondContact O-N 2.9Å; R195-E197 PolarHBondContact O-N 3.12Å
196	T	54.4	Low	68.8	Low	137 Å²	137	96.7 Å²	96.7	84%	0.84	51%	0.509	S	S	*	.			trans	-68.7	-13.8	-177.9	30	0	0	0	0	114.1
197	E	54.3	Low	69.3	Low	152 Å²	152	92.4 Å²	92.4	71%	0.71	49%	0.489	S	S	*	.			trans	-110.9	116	-175.2	-69.7	163.8	-153.4	0	0	110	R195	R195-E197 PolarHBondContact O-N 3.12Å
198	I	62.4	Low	69.9	Low	51 Å²	51	91.4 Å²	91.4	26%	0.262	48%	0.484	S	S	.	.			trans	-78.5	134.4	166.3	-57.9	155.9	0	0	0	107.2	K184 G200 I203	K184-I198 HydrophobicContact CB-CD1 3.62Å; K184-I198 HydrophobicContact CB-CG1 4.04Å; K184-I198 HydrophobicContact CB-CG2 4Å; K184-I198 HydrophobicContact CD-CG2 4.33Å; K184-I198 HydrophobicContact CG-CG2 4.18Å; I198-G200 PolarHBondContact O-N 2.95Å; I198-G200 VanDerWaalsContact O-N 3.09Å; I198-I203 HydrophobicContact CB-CD1 4.06Å; I198-I203 HydrophobicContact CD1-CD1 4.42Å; I198-I203 HydrophobicContact CG2-CD1 3.71Å; I198-I203 HydrophobicContact CG2-CG1 3.81Å
199	T	65.8	Low	70.9	Confident	85 Å²	85	97.7 Å²	97.7	52%	0.521	51%	0.506	S	S	.	.			trans	-61.4	112.6	-179.1	-19.4	0	0	0	0	110.2	A201 E202	T199-A201 PolarHBondContact O-N 3.49Å; T199-E202 VanDerWaalsContact CB-OE1 3.28Å; T199-E202 WeakPolarHBondContact CB-OE1 3.44Å; T199-E202 PolarHBondContact O-N 3.39Å; T199-E202 PolarHBondContact OG1-OE1 2.98Å
200	G	68.1	Low	71.8	Confident	50 Å²	50	91.7 Å²	91.7	52%	0.515	48%	0.481	S	S	.	.	H	α-helix	trans	-56.3	-28.5	-173.8	0	0	0	0	0	114.2	I198 I203 A204	I198-G200 PolarHBondContact O-N 2.95Å; I198-G200 VanDerWaalsContact O-N 3.09Å; G200-I203 PolarHBondContact O-N 2.81Å; G200-A204 VanDerWaalsContact O-CB 3.31Å; G200-A204 WeakPolarHBondContact O-CB 3.43Å; G200-A204 PolarHBondContact O-N 3.01Å
201	A	72.5	Confident	72.9	Confident	44 Å²	44	85.2 Å²	85.2	36%	0.364	45%	0.45	S	S	.	.	H	α-helix	trans	-62.9	-37.2	174.5	0	0	0	0	0	113.8	T42 T199 A204 E205	T42-A201 HydrophobicContact CG2-CB 3.88Å; T199-A201 PolarHBondContact O-N 3.49Å; A201-A204 WeakPolarHBondContact O-CB 3.44Å; A201-A204 PolarHBondContact O-N 3.04Å; A201-E205 PolarHBondContact O-N 3.25Å; A201-E205 VanDerWaalsContact O-N 3.1Å
202	E	73.2	Confident	74	Confident	77 Å²	77	81.7 Å²	81.7	36%	0.36	43%	0.432	S	S	.	.	H	α-helix	trans	-69.8	-42.9	178.2	-65.8	172.7	-130.3	0	0	111.7	K184 T199 A204 E205 E206	K184-E202 IonicContact NZ-OE2 2.68Å; K184-E202 PolarHBondContact NZ-OE2 3.46Å; T199-E202 VanDerWaalsContact CB-OE1 3.28Å; T199-E202 WeakPolarHBondContact CB-OE1 3.44Å; T199-E202 PolarHBondContact O-N 3.39Å; T199-E202 PolarHBondContact OG1-OE1 2.98Å; E202-A204 PolarHBondContact O-N 2.84Å; E202-E205 PolarHBondContact O-N 3.05Å; E202-E206 PolarHBondContact O-N 3.14Å
203	I	79.3	Confident	75.6	Confident	27 Å²	27	81.6 Å²	81.6	14%	0.138	42%	0.416	C	S	.	.	H	α-helix	trans	-62.7	-34.8	172.4	-59.4	178.9	0	0	0	109	F177 I180 I198 G200 M207	F177-I203 HydrophobicContact CD2-CG2 4.33Å; F177-I203 HydrophobicContact CE2-CG2 4.14Å; I180-I203 HydrophobicContact CG2-CG1 4.29Å; I180-I203 HydrophobicContact CG2-CG2 4.45Å; I198-I203 HydrophobicContact CB-CD1 4.06Å; I198-I203 HydrophobicContact CD1-CD1 4.42Å; I198-I203 HydrophobicContact CG2-CD1 3.71Å; I198-I203 HydrophobicContact CG2-CG1 3.81Å; G200-I203 PolarHBondContact O-N 2.81Å; I203-M207 HydrophobicContact CG2-CG 4.02Å; I203-M207 WeakPolarHBondContact O-CB 3.5Å; I203-M207 WeakPolarHBondContact O-CG 3.47Å; I203-M207 PolarHBondContact O-N 3.46Å; I203-M207 VanDerWaalsContact O-N 3.1Å
204	A	79.4	Confident	77.4	Confident	10 Å²	10	76.3 Å²	76.3	8%	0.083	39%	0.39	C	S	.	.	H	α-helix	trans	-65.6	-42.9	-177.9	0	0	0	0	0	113.1	T42 G200 A201 E202 E208 R211	T42-A204 HydrophobicContact CG2-CB 4.34Å; G200-A204 VanDerWaalsContact O-CB 3.31Å; G200-A204 WeakPolarHBondContact O-CB 3.43Å; G200-A204 PolarHBondContact O-N 3.01Å; A201-A204 WeakPolarHBondContact O-CB 3.44Å; A201-A204 PolarHBondContact O-N 3.04Å; E202-A204 PolarHBondContact O-N 2.84Å; A204-E208 PolarHBondContact O-N 3.08Å; A204-R211 PolarHBondContact O-NH2 2.86Å
205	E	81.9	Confident	79.4	Confident	152 Å²	152	68.4 Å²	68.4	71%	0.71	35%	0.349	S	S	*	.	H	α-helix	trans	-64.7	-53.1	175.8	-174.3	175.9	-170	0	0	111.6	A201 E202 M207 E208	A201-E205 PolarHBondContact O-N 3.25Å; A201-E205 VanDerWaalsContact O-N 3.1Å; E202-E205 PolarHBondContact O-N 3.05Å; E205-M207 PolarHBondContact O-N 3.16Å; E205-M207 VanDerWaalsContact O-N 3.12Å; E205-E208 WeakPolarHBondContact O-CB 3.46Å; E205-E208 PolarHBondContact O-N 3.43Å
206	E	86.1	Confident	81.5	Confident	78 Å²	78	64.2 Å²	64.2	36%	0.364	34%	0.339	S	S	.	.	H	α-helix	trans	-65.7	-17.8	-179.2	-73.5	-173.8	-130.8	0	0	114.4	K176 I180 K184 E202	K176-E206 WeakPolarHBondContact CE-O 3.35Å; K176-E206 PolarHBondContact NZ-O 2.87Å; I180-E206 HydrophobicContact CD1-CB 3.69Å; I180-E206 HydrophobicContact CG1-CB 4.42Å; K184-E206 WeakPolarHBondContact CE-OE1 2.91Å; K184-E206 IonicContact NZ-OE1 3.73Å; K184-E206 PolarHBondContact NZ-OE1 3.07Å; E202-E206 PolarHBondContact O-N 3.14Å
207	M	89.6	Confident	83.5	Confident	1 Å²	1	59.7 Å²	59.7	1%	0.005	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-4.1	174.4	-74.5	-62.6	-52.6	0	0	114.4	Y173 K176 F177 I180 I203 E205 K209 E210 R211	Y173-M207 HydrophobicContact CD1-CE 4Å; Y173-M207 HydrophobicContact CD2-CE 3.33Å; Y173-M207 HydrophobicContact CE1-CE 3.96Å; Y173-M207 HydrophobicContact CE2-CE 3.31Å; Y173-M207 HydrophobicContact CG-CE 3.67Å; K176-M207 HydrophobicContact CB-CE 4.33Å; K176-M207 HydrophobicContact CB-SD 4.13Å; K176-M207 HydrophobicContact CG-CE 4.12Å; K176-M207 HydrophobicContact CG-SD 3.51Å; K176-M207 VanDerWaalsContact CG-SD 3.51Å; F177-M207 HydrophobicContact CB-CE 4.05Å; F177-M207 HydrophobicContact CB-SD 3.98Å; F177-M207 HydrophobicContact CD2-SD 4.48Å; I180-M207 HydrophobicContact CD1-CG 3.91Å; I180-M207 HydrophobicContact CD1-SD 3.6Å; I180-M207 VanDerWaalsContact CD1-SD 3.6Å; I203-M207 HydrophobicContact CG2-CG 4.02Å; I203-M207 WeakPolarHBondContact O-CB 3.5Å; I203-M207 WeakPolarHBondContact O-CG 3.47Å; I203-M207 PolarHBondContact O-N 3.46Å; I203-M207 VanDerWaalsContact O-N 3.1Å; E205-M207 PolarHBondContact O-N 3.16Å; E205-M207 VanDerWaalsContact O-N 3.12Å; M207-K209 VanDerWaalsContact C-N 3.35Å; M207-K209 PolarHBondContact O-N 3.4Å; M207-E210 HydrophobicContact CE-CB 4.16Å; M207-E210 PolarHBondContact O-N 3.35Å; M207-R211 VanDerWaalsContact O-CB 3.26Å; M207-R211 WeakPolarHBondContact O-CB 3.42Å; M207-R211 PolarHBondContact O-N 3.35Å
208	E	89.1	Confident	85.5	Confident	85 Å²	85	52.5 Å²	52.5	40%	0.397	28%	0.275	S	S	.	.	H	α-helix	trans	-55.9	-48	-170.3	177.8	166.9	-142.1	0	0	112.1	A204 E205 E210 R211 R212	A204-E208 PolarHBondContact O-N 3.08Å; E205-E208 WeakPolarHBondContact O-CB 3.46Å; E205-E208 PolarHBondContact O-N 3.43Å; E208-E210 PolarHBondContact O-N 3.19Å; E208-R211 WeakPolarHBondContact O-CB 3.37Å; E208-R211 PolarHBondContact O-N 3.31Å; E208-R212 HydrophobicContact CG-CG 3.69Å; E208-R212 WeakPolarHBondContact O-CB 3.42Å; E208-R212 WeakPolarHBondContact O-CG 3.38Å; E208-R212 PolarHBondContact O-N 2.86Å; E208-R212 IonicContact OE1-CZ 2.63Å; E208-R212 IonicContact OE1-NE 2.72Å; E208-R212 PolarHBondContact OE1-NE 3.22Å; E208-R212 IonicContact OE1-NH2 3.67Å; E208-R212 PolarHBondContact OE1-NH2 3.15Å
209	K	92.4	Very high	87	Confident	159 Å²	159	52.1 Å²	52.1	69%	0.691	28%	0.276	S	S	*	.	H	α-helix	trans	-57.8	-52.6	-176.5	179.8	-172.6	174.8	-167.9	0	112.5	M207 R211 L213	M207-K209 VanDerWaalsContact C-N 3.35Å; M207-K209 PolarHBondContact O-N 3.4Å; K209-R211 VanDerWaalsContact C-N 3.32Å; K209-R211 PolarHBondContact O-N 2.82Å; K209-L213 WeakPolarHBondContact O-CB 3.19Å; K209-L213 PolarHBondContact O-N 3.44Å
210	E	94.6	Very high	88.4	Confident	32 Å²	32	53 Å²	53	15%	0.15	27%	0.274	C	S	.	.	H	α-helix	trans	-67.8	-32.7	-179.8	-72.9	69.9	-153.5	0	0	111.8	Y173 K176 M207 E208 F214	Y173-E210 HydrophobicContact CD2-CB 4.35Å; K176-E210 HydrophobicContact CB-CG 3.98Å; K176-E210 WeakPolarHBondContact CE-OE2 3.41Å; K176-E210 HydrophobicContact CG-CB 4.45Å; K176-E210 HydrophobicContact CG-CG 3.91Å; M207-E210 HydrophobicContact CE-CB 4.16Å; M207-E210 PolarHBondContact O-N 3.35Å; E208-E210 PolarHBondContact O-N 3.19Å; E210-F214 WeakPolarHBondContact O-CB 3.32Å; E210-F214 PolarHBondContact O-N 2.73Å
211	R	93.3	Very high	89.7	Confident	6 Å²	6	50.8 Å²	50.8	2%	0.023	25%	0.251	C	S	.	.	H	α-helix	trans	-66.4	-49.2	174.1	-170.8	-158.1	-47.6	-123.5	-1.4	112.7	D37 P41 F46 Y173 A204 M207 E208 K209 L213 F214 Q215	D37-R211 VanDerWaalsContact OD1-CD 3.3Å; D37-R211 WeakPolarHBondContact OD1-CD 3.47Å; D37-R211 IonicContact OD1-CZ 3.66Å; D37-R211 IonicContact OD1-NE 3.91Å; D37-R211 IonicContact OD1-NH1 2.61Å; D37-R211 PolarHBondContact OD1-NH1 3.04Å; D37-R211 WeakPolarHBondContact OD2-CD 3.22Å; D37-R211 IonicContact OD2-NE 2.75Å; P41-R211 PolarHBondContact O-NH1 2.66Å; F46-R211 HydrophobicContact CD1-CG 4.47Å; F46-R211 HydrophobicContact CE1-CG 4.37Å; Y173-R211 HydrophobicContact CD2-CB 4.33Å; Y173-R211 HydrophobicContact CE2-CB 3.96Å; Y173-R211 HydrophobicContact CE2-CG 4.25Å; A204-R211 PolarHBondContact O-NH2 2.86Å; M207-R211 VanDerWaalsContact O-CB 3.26Å; M207-R211 WeakPolarHBondContact O-CB 3.42Å; M207-R211 PolarHBondContact O-N 3.35Å; E208-R211 WeakPolarHBondContact O-CB 3.37Å; E208-R211 PolarHBondContact O-N 3.31Å; K209-R211 VanDerWaalsContact C-N 3.32Å; K209-R211 PolarHBondContact O-N 2.82Å; R211-L213 VanDerWaalsContact C-N 3.27Å; R211-L213 PolarHBondContact O-N 2.84Å; R211-F214 WeakPolarHBondContact O-CB 3.37Å; R211-F214 PolarHBondContact O-N 2.91Å; R211-F214 VanDerWaalsContact O-N 3.16Å; R211-Q215 WeakPolarHBondContact O-CG 3.44Å; R211-Q215 PolarHBondContact O-N 3.14Å
212	R	94.4	Very high	90.7	Very high	46 Å²	46	49.7 Å²	49.7	17%	0.174	24%	0.239	C	C	.	.	H	α-helix	trans	-62.5	-37.4	177	-64.8	-78.2	174.3	-113.7	-2.4	110.6	D37 E208 L216	D37-R212 PolarHBondContact O-NH1 3.37Å; D37-R212 PolarHBondContact O-NH2 3.08Å; D37-R212 IonicContact OD2-CZ 2.74Å; D37-R212 IonicContact OD2-NH1 2.73Å; D37-R212 PolarHBondContact OD2-NH1 3.43Å; D37-R212 IonicContact OD2-NH2 3.16Å; E208-R212 HydrophobicContact CG-CG 3.69Å; E208-R212 WeakPolarHBondContact O-CB 3.42Å; E208-R212 WeakPolarHBondContact O-CG 3.38Å; E208-R212 PolarHBondContact O-N 2.86Å; E208-R212 IonicContact OE1-CZ 2.63Å; E208-R212 IonicContact OE1-NE 2.72Å; E208-R212 PolarHBondContact OE1-NE 3.22Å; E208-R212 IonicContact OE1-NH2 3.67Å; E208-R212 PolarHBondContact OE1-NH2 3.15Å; R212-L216 VanDerWaalsContact O-CB 3.3Å; R212-L216 WeakPolarHBondContact O-CB 3.33Å; R212-L216 PolarHBondContact O-N 3.34Å
213	L	94.8	Very high	91.7	Very high	63 Å²	63	50.6 Å²	50.6	33%	0.33	25%	0.245	S	C	.	.	H	α-helix	trans	-64.9	-43	173	-176.4	61.1	0	0	0	112.1	A169 K209 R211 L216 Q217	A169-L213 HydrophobicContact CB-CG 4.16Å; K209-L213 WeakPolarHBondContact O-CB 3.19Å; K209-L213 PolarHBondContact O-N 3.44Å; R211-L213 VanDerWaalsContact C-N 3.27Å; R211-L213 PolarHBondContact O-N 2.84Å; L213-L216 PolarHBondContact O-N 3.48Å; L213-Q217 HydrophobicContact CD1-CG 4.27Å; L213-Q217 WeakPolarHBondContact O-CG 3.46Å; L213-Q217 PolarHBondContact O-N 3.26Å
214	F	96.1	Very high	92.3	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-61.1	-48.1	174.3	178.3	-96.4	0	0	0	112.3	F46 L50 C53 F166 A169 W170 E210 R211 L216 Q217 M218	F46-F214 HydrophobicContact CE1-CD1 4.22Å; F46-F214 HydrophobicContact CZ-CD1 4.1Å; F46-F214 HydrophobicContact CZ-CE1 4.16Å; L50-F214 HydrophobicContact CD2-CD1 3.5Å; L50-F214 HydrophobicContact CD2-CE1 3.34Å; L50-F214 HydrophobicContact CD2-CG 4.35Å; L50-F214 HydrophobicContact CD2-CZ 4.09Å; C53-F214 HydrophobicContact CB-CE1 4.1Å; C53-F214 HydrophobicContact CB-CZ 3.81Å; F166-F214 HydrophobicContact CD2-CE2 4.02Å; F166-F214 HydrophobicContact CD2-CZ 4.49Å; F166-F214 HydrophobicContact CE1-CE2 4.39Å; F166-F214 HydrophobicContact CE2-CD2 4.24Å; F166-F214 HydrophobicContact CE2-CE1 4.48Å; F166-F214 AromaticContact CE2-CE2 3.27Å; F166-F214 HydrophobicContact CE2-CE2 3.27Å; F166-F214 AromaticContact CE2-CZ 3.43Å; F166-F214 HydrophobicContact CE2-CZ 3.43Å; F166-F214 VanDerWaalsContact CE2-CZ 3.43Å; F166-F214 AromaticContact CZ-CE2 3.49Å; F166-F214 HydrophobicContact CZ-CE2 3.49Å; F166-F214 VanDerWaalsContact CZ-CE2 3.49Å; F166-F214 AromaticContact CZ-CZ 3.68Å; F166-F214 HydrophobicContact CZ-CZ 3.68Å; A169-F214 HydrophobicContact CB-CB 4.49Å; W170-F214 HydrophobicContact CB-CE2 4.34Å; W170-F214 AromaticContact CE3-CE2 3.73Å; W170-F214 HydrophobicContact CE3-CE2 3.73Å; W170-F214 HydrophobicContact CE3-CZ 4.12Å; W170-F214 HydrophobicContact CZ3-CE2 4.49Å; W170-F214 HydrophobicContact CZ3-CZ 4.47Å; E210-F214 WeakPolarHBondContact O-CB 3.32Å; E210-F214 PolarHBondContact O-N 2.73Å; R211-F214 WeakPolarHBondContact O-CB 3.37Å; R211-F214 PolarHBondContact O-N 2.91Å; R211-F214 VanDerWaalsContact O-N 3.16Å; F214-L216 PolarHBondContact O-N 3.3Å; F214-Q217 PolarHBondContact O-N 2.76Å; F214-M218 WeakPolarHBondContact O-CB 3.41Å; F214-M218 PolarHBondContact O-N 3.12Å
215	Q	95.4	Very high	92.9	Very high	8 Å²	8	52.6 Å²	52.6	4%	0.037	25%	0.252	C	S	.	.	H	α-helix	trans	-56.6	-48.2	175.5	-74	163.3	-16	0	0	111.3	T34 D37 F46 R211 Q217 M218 C219	T34-Q215 HydrophobicContact CG2-CB 4.06Å; T34-Q215 HydrophobicContact CG2-CG 3.86Å; D37-Q215 VanDerWaalsContact CG-NE2 3.29Å; D37-Q215 PolarHBondContact OD2-NE2 2.91Å; F46-Q215 HydrophobicContact CE1-CG 3.67Å; F46-Q215 VanDerWaalsContact CE1-NE2 3.32Å; F46-Q215 HydrophobicContact CE2-CG 4.17Å; F46-Q215 HydrophobicContact CZ-CG 3.42Å; F46-Q215 VanDerWaalsContact CZ-CG 3.42Å; R211-Q215 WeakPolarHBondContact O-CG 3.44Å; R211-Q215 PolarHBondContact O-N 3.14Å; Q215-Q217 PolarHBondContact O-N 2.76Å; Q215-M218 PolarHBondContact O-N 3.27Å; Q215-C219 PolarHBondContact O-N 2.88Å; Q215-C219 PolarHBondContact O-SG 3.34Å
216	L	95.4	Very high	93.4	Very high	85 Å²	85	49.6 Å²	49.6	45%	0.445	24%	0.241	S	C	.	.	H	α-helix	trans	-58.7	-48.5	177	177.9	62.5	0	0	0	112.2	R212 L213 F214 M218 C219 E220	R212-L216 VanDerWaalsContact O-CB 3.3Å; R212-L216 WeakPolarHBondContact O-CB 3.33Å; R212-L216 PolarHBondContact O-N 3.34Å; L213-L216 PolarHBondContact O-N 3.48Å; F214-L216 PolarHBondContact O-N 3.3Å; L216-M218 VanDerWaalsContact C-N 3.3Å; L216-M218 PolarHBondContact O-N 2.83Å; L216-C219 WeakPolarHBondContact O-CB 3.35Å; L216-C219 PolarHBondContact O-N 3.3Å; L216-E220 HydrophobicContact CD1-CG 4.39Å; L216-E220 WeakPolarHBondContact O-CG 3.44Å; L216-E220 PolarHBondContact O-N 3.1Å
217	Q	95.9	Very high	93.7	Very high	43 Å²	43	50 Å²	50	20%	0.201	24%	0.242	C	C	.	.	H	α-helix	trans	-69.3	-27.3	-179.8	-62.4	-50.2	-79.4	0	0	113	A169 L213 F214 Q215 Y221	A169-Q217 HydrophobicContact CB-CB 4.08Å; A169-Q217 HydrophobicContact CB-CG 3.86Å; L213-Q217 HydrophobicContact CD1-CG 4.27Å; L213-Q217 WeakPolarHBondContact O-CG 3.46Å; L213-Q217 PolarHBondContact O-N 3.26Å; F214-Q217 PolarHBondContact O-N 2.76Å; Q215-Q217 PolarHBondContact O-N 2.76Å; Q217-Y221 VanDerWaalsContact O-CB 3.28Å; Q217-Y221 WeakPolarHBondContact O-CB 3.35Å; Q217-Y221 PolarHBondContact O-N 2.82Å
218	M	95.2	Very high	93.9	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-71	-39.8	170	-173.1	64.2	173.9	0	0	111.8	I25 F30 C53 T56 V57 F166 F214 Q215 L216 Y221 L222	I25-M218 HydrophobicContact CG2-CE 4.45Å; F30-M218 HydrophobicContact CD1-CG 4.48Å; F30-M218 HydrophobicContact CD2-CG 3.94Å; F30-M218 HydrophobicContact CE1-CB 4.41Å; F30-M218 HydrophobicContact CE1-CG 4Å; F30-M218 HydrophobicContact CE2-CB 3.85Å; F30-M218 HydrophobicContact CE2-CG 3.4Å; F30-M218 HydrophobicContact CG-CG 4.46Å; F30-M218 HydrophobicContact CZ-CB 3.62Å; F30-M218 HydrophobicContact CZ-CG 3.44Å; F30-M218 VanDerWaalsContact CZ-CG 3.44Å; C53-M218 HydrophobicContact CB-CE 3.77Å; C53-M218 HydrophobicContact CB-SD 4.18Å; T56-M218 HydrophobicContact CG2-CE 4.3Å; V57-M218 HydrophobicContact CG2-CE 4.02Å; V57-M218 HydrophobicContact CG2-SD 3.52Å; V57-M218 VanDerWaalsContact CG2-SD 3.52Å; F166-M218 HydrophobicContact CD2-CB 4.22Å; F166-M218 HydrophobicContact CD2-SD 3.98Å; F166-M218 HydrophobicContact CE2-CB 4.11Å; F166-M218 HydrophobicContact CE2-CG 4.31Å; F166-M218 HydrophobicContact CE2-SD 3.47Å; F166-M218 WeakPolarHBondContact CE2-SD 3.1Å; F166-M218 HydrophobicContact CZ-SD 4.28Å; F214-M218 WeakPolarHBondContact O-CB 3.41Å; F214-M218 PolarHBondContact O-N 3.12Å; Q215-M218 PolarHBondContact O-N 3.27Å; L216-M218 VanDerWaalsContact C-N 3.3Å; L216-M218 PolarHBondContact O-N 2.83Å; M218-Y221 PolarHBondContact O-N 3.29Å; M218-L222 HydrophobicContact CE-CD1 4.05Å; M218-L222 HydrophobicContact CE-CD2 4.2Å; M218-L222 HydrophobicContact CE-CG 4.15Å; M218-L222 HydrophobicContact CG-CD1 4.24Å; M218-L222 WeakPolarHBondContact O-CB 3.48Å; M218-L222 VanDerWaalsContact O-CG 3.31Å; M218-L222 WeakPolarHBondContact O-CG 3.43Å; M218-L222 PolarHBondContact O-N 3.45Å; M218-L222 HydrophobicContact SD-CG 4.42Å
219	C	95.2	Very high	94	Very high	44 Å²	44	52.1 Å²	52.1	30%	0.297	25%	0.251	S	S	.	.	H	α-helix	trans	-58.8	-54.2	171.7	-71	0	0	0	0	111.6	Q215 L216 Y221 L222 I223	Q215-C219 PolarHBondContact O-N 2.88Å; Q215-C219 PolarHBondContact O-SG 3.34Å; L216-C219 WeakPolarHBondContact O-CB 3.35Å; L216-C219 PolarHBondContact O-N 3.3Å; C219-Y221 VanDerWaalsContact C-N 3.3Å; C219-Y221 PolarHBondContact O-N 3.47Å; C219-L222 PolarHBondContact O-N 3.47Å; C219-I223 WeakPolarHBondContact O-CB 3.49Å; C219-I223 WeakPolarHBondContact O-CD1 3.4Å; C219-I223 VanDerWaalsContact O-CG1 3.22Å; C219-I223 WeakPolarHBondContact O-CG1 3.46Å; C219-I223 PolarHBondContact O-N 2.77Å
220	E	94.6	Very high	94	Very high	102 Å²	102	47.5 Å²	47.5	48%	0.477	24%	0.236	S	C	.	.	H	α-helix	trans	-55.4	-44.9	178.1	-70.1	-66	162.7	0	0	111.7	L216 K224	L216-E220 HydrophobicContact CD1-CG 4.39Å; L216-E220 WeakPolarHBondContact O-CG 3.44Å; L216-E220 PolarHBondContact O-N 3.1Å; E220-K224 WeakPolarHBondContact O-CB 3.16Å; E220-K224 PolarHBondContact O-N 2.87Å
221	Y	94.3	Very high	93.9	Very high	5 Å²	5	49.2 Å²	49.2	2%	0.02	24%	0.243	C	C	.	.	H	α-helix	trans	-61.7	-51	176.7	-174.8	-88.3	0	0	0	112	V57 L60 E61 L162 K163 Q217 M218 C219 I223 K224 V225	V57-Y221 HydrophobicContact CB-CE1 4.19Å; V57-Y221 HydrophobicContact CG1-CD1 4.43Å; V57-Y221 HydrophobicContact CG1-CD2 4.49Å; V57-Y221 HydrophobicContact CG1-CE1 3.99Å; V57-Y221 HydrophobicContact CG1-CE2 4.05Å; V57-Y221 HydrophobicContact CG2-CD1 3.77Å; V57-Y221 HydrophobicContact CG2-CE1 3.86Å; V57-Y221 HydrophobicContact CG2-CG 4.35Å; V57-Y221 PolarHBondContact O-OH 3.35Å; L60-Y221 HydrophobicContact CB-CE1 4.2Å; L60-Y221 HydrophobicContact CD1-CE1 4Å; E61-Y221 VanDerWaalsContact OE1-CE2 3.24Å; E61-Y221 WeakPolarHBondContact OE1-CE2 3.48Å; E61-Y221 PolarHBondContact OE1-OH 3.45Å; L162-Y221 HydrophobicContact CD2-CE2 4.07Å; L162-Y221 HydrophobicContact CG-CD2 4.09Å; L162-Y221 HydrophobicContact CG-CE2 3.75Å; K163-Y221 HydrophobicContact CB-CE2 4.43Å; Q217-Y221 VanDerWaalsContact O-CB 3.28Å; Q217-Y221 WeakPolarHBondContact O-CB 3.35Å; Q217-Y221 PolarHBondContact O-N 2.82Å; M218-Y221 PolarHBondContact O-N 3.29Å; C219-Y221 VanDerWaalsContact C-N 3.3Å; C219-Y221 PolarHBondContact O-N 3.47Å; Y221-I223 PolarHBondContact O-N 3.29Å; Y221-K224 PolarHBondContact O-N 3Å; Y221-V225 HydrophobicContact CD1-CG2 3.95Å; Y221-V225 HydrophobicContact CE1-CG2 3.45Å; Y221-V225 VanDerWaalsContact CE1-CG2 3.45Å; Y221-V225 HydrophobicContact CE2-CG2 4.32Å; Y221-V225 WeakPolarHBondContact O-CG2 3.13Å; Y221-V225 PolarHBondContact O-N 2.74Å
222	L	94.5	Very high	93.8	Very high	21 Å²	21	51.3 Å²	51.3	11%	0.11	25%	0.252	C	S	.	.	H	α-helix	trans	-63.6	-39.2	-179.9	-72.3	177.3	0	0	0	112.5	V27 F30 L60 M218 C219 N226	V27-L222 HydrophobicContact CG2-CD1 4.45Å; V27-L222 HydrophobicContact CG2-CD2 4.31Å; F30-L222 HydrophobicContact CB-CD1 4.48Å; F30-L222 HydrophobicContact CD1-CD1 3.47Å; F30-L222 VanDerWaalsContact CD1-CD1 3.47Å; F30-L222 HydrophobicContact CE1-CD1 3.91Å; F30-L222 HydrophobicContact CG-CD1 4.03Å; L60-L222 HydrophobicContact CD1-CD2 4.13Å; M218-L222 HydrophobicContact CE-CD1 4.05Å; M218-L222 HydrophobicContact CE-CD2 4.2Å; M218-L222 HydrophobicContact CE-CG 4.15Å; M218-L222 HydrophobicContact CG-CD1 4.24Å; M218-L222 WeakPolarHBondContact O-CB 3.48Å; M218-L222 VanDerWaalsContact O-CG 3.31Å; M218-L222 WeakPolarHBondContact O-CG 3.43Å; M218-L222 PolarHBondContact O-N 3.45Å; M218-L222 HydrophobicContact SD-CG 4.42Å; C219-L222 PolarHBondContact O-N 3.47Å; L222-N226 WeakPolarHBondContact O-CB 3.26Å; L222-N226 PolarHBondContact O-N 2.73Å
223	I	93.6	Very high	93.7	Very high	95 Å²	95	50.8 Å²	50.8	49%	0.487	26%	0.261	S	S	.	.	H	α-helix	trans	-59	-51.2	172.9	-70.6	164.3	0	0	0	109.5	C219 Y221 V225 N226 E227	C219-I223 WeakPolarHBondContact O-CB 3.49Å; C219-I223 WeakPolarHBondContact O-CD1 3.4Å; C219-I223 VanDerWaalsContact O-CG1 3.22Å; C219-I223 WeakPolarHBondContact O-CG1 3.46Å; C219-I223 PolarHBondContact O-N 2.77Å; Y221-I223 PolarHBondContact O-N 3.29Å; I223-V225 PolarHBondContact O-N 3.08Å; I223-N226 WeakPolarHBondContact O-CA 3.29Å; I223-N226 WeakPolarHBondContact O-CB 3.22Å; I223-N226 PolarHBondContact O-N 2.72Å; I223-E227 PolarHBondContact O-N 2.85Å
224	K	92.5	Very high	93.7	Very high	63 Å²	63	52.3 Å²	52.3	27%	0.274	27%	0.273	S	S	.	.	H	α-helix	trans	-67.6	-37.2	-176.3	-169.9	63.9	-168	171.5	0	113	D154 L162 E220 Y221 N226 E227 I228	D154-K224 IonicContact OD1-NZ 3Å; D154-K224 PolarHBondContact OD1-NZ 2.9Å; L162-K224 HydrophobicContact CD1-CB 4.08Å; L162-K224 HydrophobicContact CD1-CG 3.64Å; E220-K224 WeakPolarHBondContact O-CB 3.16Å; E220-K224 PolarHBondContact O-N 2.87Å; Y221-K224 PolarHBondContact O-N 3Å; K224-N226 VanDerWaalsContact C-N 3.29Å; K224-N226 PolarHBondContact O-N 3.14Å; K224-E227 WeakPolarHBondContact CD-OE2 3.43Å; K224-E227 IonicContact NZ-OE2 2.71Å; K224-E227 PolarHBondContact NZ-OE2 2.9Å; K224-E227 PolarHBondContact O-N 3.02Å; K224-I228 HydrophobicContact CG-CD1 4.31Å; K224-I228 WeakPolarHBondContact O-CD1 3.33Å; K224-I228 VanDerWaalsContact O-CG1 3.29Å; K224-I228 WeakPolarHBondContact O-CG1 3.45Å; K224-I228 PolarHBondContact O-N 3.26Å
225	V	92.9	Very high	93.5	Very high	16 Å²	16	55.5 Å²	55.5	10%	0.097	29%	0.29	C	S	.	.	H	α-helix	trans	-63.6	-35.8	171.2	173.2	0	0	0	0	111.4	L60 L64 L162 Y221 I223 I228 K229	L60-V225 HydrophobicContact CD1-CG1 4.29Å; L60-V225 HydrophobicContact CD2-CG1 4.15Å; L64-V225 HydrophobicContact CD1-CG1 4.39Å; L64-V225 HydrophobicContact CD1-CG2 3.96Å; L162-V225 HydrophobicContact CD2-CG2 4.4Å; Y221-V225 HydrophobicContact CD1-CG2 3.95Å; Y221-V225 HydrophobicContact CE1-CG2 3.45Å; Y221-V225 VanDerWaalsContact CE1-CG2 3.45Å; Y221-V225 HydrophobicContact CE2-CG2 4.32Å; Y221-V225 WeakPolarHBondContact O-CG2 3.13Å; Y221-V225 PolarHBondContact O-N 2.74Å; I223-V225 PolarHBondContact O-N 3.08Å; V225-I228 PolarHBondContact O-N 2.81Å; V225-K229 WeakPolarHBondContact O-CB 3.38Å; V225-K229 PolarHBondContact O-N 3Å
226	N	92.3	Very high	93.4	Very high	90 Å²	90	56 Å²	56	48%	0.481	29%	0.293	S	S	.	.	H	α-helix	trans	-71.2	-37.4	176.1	-165.2	56.6	0	0	0	112.8	L222 I223 K224 K229 T230	L222-N226 WeakPolarHBondContact O-CB 3.26Å; L222-N226 PolarHBondContact O-N 2.73Å; I223-N226 WeakPolarHBondContact O-CA 3.29Å; I223-N226 WeakPolarHBondContact O-CB 3.22Å; I223-N226 PolarHBondContact O-N 2.72Å; K224-N226 VanDerWaalsContact C-N 3.29Å; K224-N226 PolarHBondContact O-N 3.14Å; N226-K229 WeakPolarHBondContact O-CB 3.39Å; N226-K229 PolarHBondContact O-N 3.09Å; N226-T230 PolarHBondContact O-N 3.27Å; N226-T230 PolarHBondContact O-OG1 3.22Å
227	E	92.4	Very high	93.4	Very high	85 Å²	85	56.8 Å²	56.8	40%	0.397	30%	0.297	S	S	.	.	H	α-helix	trans	-57.8	-48.2	168.7	-69	-171.4	174.1	0	0	111.6	I223 K224 K229 T230 K231	I223-E227 PolarHBondContact O-N 2.85Å; K224-E227 WeakPolarHBondContact CD-OE2 3.43Å; K224-E227 IonicContact NZ-OE2 2.71Å; K224-E227 PolarHBondContact NZ-OE2 2.9Å; K224-E227 PolarHBondContact O-N 3.02Å; E227-K229 VanDerWaalsContact C-N 3.26Å; E227-K229 PolarHBondContact O-N 3.49Å; E227-T230 PolarHBondContact O-N 2.91Å; E227-K231 WeakPolarHBondContact O-CG 3.5Å; E227-K231 PolarHBondContact O-N 2.91Å
228	I	92.5	Very high	93.4	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-60.1	-39.5	177.5	-69.1	161.1	0	0	0	110.5	L64 D154 L155 L162 K224 V225 K231 K232	L64-I228 HydrophobicContact CD2-CG2 3.56Å; D154-I228 HydrophobicContact CB-CG1 3.88Å; L155-I228 HydrophobicContact CD2-CG2 3.59Å; L155-I228 HydrophobicContact CG-CG2 4.34Å; L162-I228 HydrophobicContact CD2-CD1 4.1Å; K224-I228 HydrophobicContact CG-CD1 4.31Å; K224-I228 WeakPolarHBondContact O-CD1 3.33Å; K224-I228 VanDerWaalsContact O-CG1 3.29Å; K224-I228 WeakPolarHBondContact O-CG1 3.45Å; K224-I228 PolarHBondContact O-N 3.26Å; V225-I228 PolarHBondContact O-N 2.81Å; I228-K231 PolarHBondContact O-N 3.18Å; I228-K232 HydrophobicContact CG2-CD 4.22Å; I228-K232 WeakPolarHBondContact O-CB 3.44Å; I228-K232 VanDerWaalsContact O-CG 3.25Å; I228-K232 WeakPolarHBondContact O-CG 3.48Å; I228-K232 PolarHBondContact O-N 2.87Å
229	K	91.4	Very high	93.4	Very high	132 Å²	132	60.9 Å²	60.9	57%	0.574	32%	0.316	S	S	*	.	H	α-helix	trans	-61.7	-44.6	176	-174.6	-175.6	175.6	-172.5	0	112.2	V225 N226 E227 G233	V225-K229 WeakPolarHBondContact O-CB 3.38Å; V225-K229 PolarHBondContact O-N 3Å; N226-K229 WeakPolarHBondContact O-CB 3.39Å; N226-K229 PolarHBondContact O-N 3.09Å; E227-K229 VanDerWaalsContact C-N 3.26Å; E227-K229 PolarHBondContact O-N 3.49Å; K229-G233 PolarHBondContact O-N 2.8Å
230	T	92.6	Very high	93.4	Very high	61 Å²	61	61.5 Å²	61.5	37%	0.374	32%	0.317	S	S	.	.	H	α-helix	trans	-62.6	-49.4	174.7	-59.6	0	0	0	0	111.1	N226 E227 G233 V234 D235	N226-T230 PolarHBondContact O-N 3.27Å; N226-T230 PolarHBondContact O-OG1 3.22Å; E227-T230 PolarHBondContact O-N 2.91Å; T230-G233 CarbonylContact O-C 3.6Å; T230-G233 PolarHBondContact O-N 3.16Å; T230-V234 HydrophobicContact CG2-CB 4.41Å; T230-V234 PolarHBondContact O-N 2.81Å; T230-D235 PolarHBondContact O-N 2.84Å
231	K	92.1	Very high	93.5	Very high	69 Å²	69	59.9 Å²	59.9	30%	0.3	31%	0.311	S	S	.	.	I	π-helix	trans	-64.5	-42.9	-178	-69.5	174.6	175.7	-178.8	0	113.6	L150 D154 E227 I228 D235 L236	L150-K231 HydrophobicContact CD1-CB 3.98Å; D154-K231 HydrophobicContact CB-CD 4.41Å; D154-K231 IonicContact OD1-NZ 3.54Å; D154-K231 PolarHBondContact OD1-NZ 2.94Å; D154-K231 VanDerWaalsContact OD2-CD 3.3Å; D154-K231 WeakPolarHBondContact OD2-CD 3.45Å; D154-K231 IonicContact OD2-NZ 3.68Å; D154-K231 PolarHBondContact OD2-NZ 3.48Å; E227-K231 WeakPolarHBondContact O-CG 3.5Å; E227-K231 PolarHBondContact O-N 2.91Å; I228-K231 PolarHBondContact O-N 3.18Å; K231-D235 WeakPolarHBondContact CA-OD2 3.09Å; K231-D235 WeakPolarHBondContact CG-OD2 3.1Å; K231-L236 PolarHBondContact O-N 3.35Å
232	K	92.6	Very high	93.5	Very high	50 Å²	50	64.4 Å²	64.4	22%	0.217	33%	0.33	C	S	.	.	I	π-helix	trans	-75.9	-23.2	178.9	81.5	-172.7	176.4	177.8	0	113.6	D67 L150 I228	D67-K232 VanDerWaalsContact OD2-CE 3.29Å; D67-K232 WeakPolarHBondContact OD2-CE 3.42Å; D67-K232 IonicContact OD2-NZ 3.2Å; D67-K232 PolarHBondContact OD2-NZ 2.91Å; L150-K232 HydrophobicContact CD2-CB 3.86Å; I228-K232 HydrophobicContact CG2-CD 4.22Å; I228-K232 WeakPolarHBondContact O-CB 3.44Å; I228-K232 VanDerWaalsContact O-CG 3.25Å; I228-K232 WeakPolarHBondContact O-CG 3.48Å; I228-K232 PolarHBondContact O-N 2.87Å
233	G	92	Very high	93.6	Very high	35 Å²	35	64.7 Å²	64.7	36%	0.361	33%	0.33	S	S	.	.	I	π-helix	trans	-97.6	-80.5	179.5	0	0	0	0	0	112.6	K229 T230 L237	K229-G233 PolarHBondContact O-N 2.8Å; T230-G233 CarbonylContact O-C 3.6Å; T230-G233 PolarHBondContact O-N 3.16Å; G233-L237 WeakPolarHBondContact O-CB 3.26Å; G233-L237 PolarHBondContact O-N 3.12Å
234	V	93.2	Very high	93.8	Very high	95 Å²	95	66.9 Å²	66.9	58%	0.576	33%	0.333	S	S	*	.	I	π-helix	trans	-66	-53.1	-170.3	-176.6	0	0	0	0	111.3	T230 L236 L237 Q238	T230-V234 HydrophobicContact CG2-CB 4.41Å; T230-V234 PolarHBondContact O-N 2.81Å; V234-L236 PolarHBondContact O-N 3.19Å; V234-L237 PolarHBondContact O-N 3.4Å; V234-Q238 WeakPolarHBondContact O-CB 3.22Å; V234-Q238 PolarHBondContact O-N 3.43Å
235	D	92.4	Very high	93.9	Very high	67 Å²	67	69.5 Å²	69.5	36%	0.358	35%	0.346	S	S	.	.	I	π-helix	trans	-68	-41.4	-173.9	-57.3	-21	0	0	0	111.3	T230 K231 Q238 N239	T230-D235 PolarHBondContact O-N 2.84Å; K231-D235 WeakPolarHBondContact CA-OD2 3.09Å; K231-D235 WeakPolarHBondContact CG-OD2 3.1Å; D235-Q238 PolarHBondContact O-N 2.78Å; D235-N239 PolarHBondContact O-N 3.14Å; D235-N239 PolarHBondContact O-ND2 2.96Å
236	L	93.5	Very high	94.1	Very high	19 Å²	19	70.2 Å²	70.2	10%	0.099	35%	0.354	C	S	.	.	H	α-helix	trans	-62.9	-44.6	175.7	-177	59.5	0	0	0	111.5	L71 T146 L147 K231 V234 N239 L240	L71-L236 HydrophobicContact CD2-CD2 3.61Å; T146-L236 HydrophobicContact CG2-CD1 4.02Å; L147-L236 HydrophobicContact CD2-CD1 3.85Å; L147-L236 HydrophobicContact CD2-CD2 4.16Å; L147-L236 HydrophobicContact CG-CD1 4.23Å; K231-L236 PolarHBondContact O-N 3.35Å; V234-L236 PolarHBondContact O-N 3.19Å; L236-N239 PolarHBondContact O-N 3.33Å; L236-L240 HydrophobicContact CG-CD1 4.32Å; L236-L240 WeakPolarHBondContact O-CG 3.26Å; L236-L240 PolarHBondContact O-N 2.95Å
237	L	95.5	Very high	94.2	Very high	101 Å²	101	68.2 Å²	68.2	53%	0.529	34%	0.341	S	S	.	.	H	α-helix	trans	-64.3	-42.1	176.5	-177.5	61.2	0	0	0	111.7	G233 V234 N239 L240 I241	G233-L237 WeakPolarHBondContact O-CB 3.26Å; G233-L237 PolarHBondContact O-N 3.12Å; V234-L237 PolarHBondContact O-N 3.4Å; L237-N239 VanDerWaalsContact C-N 3.29Å; L237-N239 PolarHBondContact O-N 2.85Å; L237-L240 PolarHBondContact O-N 3.45Å; L237-I241 HydrophobicContact CG-CD1 4.13Å; L237-I241 VanDerWaalsContact O-CG1 3.32Å; L237-I241 WeakPolarHBondContact O-CG1 3.28Å; L237-I241 PolarHBondContact O-N 3.47Å
238	Q	95.6	Very high	94.4	Very high	101 Å²	101	67.2 Å²	67.2	47%	0.472	34%	0.343	S	S	.	.	H	α-helix	trans	-63	-35.2	178	-176.4	57.8	88.5	0	0	112.2	V234 D235 K242	V234-Q238 WeakPolarHBondContact O-CB 3.22Å; V234-Q238 PolarHBondContact O-N 3.43Å; D235-Q238 PolarHBondContact O-N 2.78Å; Q238-K242 WeakPolarHBondContact O-CG 3.2Å; Q238-K242 PolarHBondContact O-N 3.16Å
239	N	95.4	Very high	94.5	Very high	27 Å²	27	71.3 Å²	71.3	14%	0.144	37%	0.365	C	S	.	.	H	α-helix	trans	-78.8	-31.6	174.8	-69.6	-57.8	0	0	0	113.1	N142 D235 L236 L237 I241 K242 Y243	N142-N239 HydrophobicContact CB-CB 4.48Å; N142-N239 WeakPolarHBondContact O-CB 3.48Å; D235-N239 PolarHBondContact O-N 3.14Å; D235-N239 PolarHBondContact O-ND2 2.96Å; L236-N239 PolarHBondContact O-N 3.33Å; L237-N239 VanDerWaalsContact C-N 3.29Å; L237-N239 PolarHBondContact O-N 2.85Å; N239-I241 VanDerWaalsContact C-N 3.33Å; N239-K242 WeakPolarHBondContact O-CB 3.35Å; N239-K242 PolarHBondContact O-N 3.02Å; N239-K242 WeakPolarHBondContact OD1-CE 3.31Å; N239-K242 PolarHBondContact OD1-NZ 2.95Å; N239-Y243 PolarHBondContact O-N 2.92Å; N239-Y243 VanDerWaalsContact O-N 3.08Å
240	L	95.3	Very high	94.7	Very high	58 Å²	58	67 Å²	67	30%	0.304	35%	0.347	S	S	.	.	H	α-helix	trans	-62.2	-40.4	167.8	-74.5	168.8	0	0	0	111.4	V143 L236 L237 K242 Y243 Y244	V143-L240 HydrophobicContact CG1-CD2 4.1Å; V143-L240 HydrophobicContact CG2-CD2 4.07Å; L236-L240 HydrophobicContact CG-CD1 4.32Å; L236-L240 WeakPolarHBondContact O-CG 3.26Å; L236-L240 PolarHBondContact O-N 2.95Å; L237-L240 PolarHBondContact O-N 3.45Å; L240-K242 PolarHBondContact O-N 2.86Å; L240-Y243 PolarHBondContact O-N 3.45Å; L240-Y244 VanDerWaalsContact O-CD2 3.28Å; L240-Y244 WeakPolarHBondContact O-CD2 3.17Å; L240-Y244 PolarHBondContact O-N 3.15Å
241	I	96.2	Very high	94.9	Very high	68 Å²	68	70.2 Å²	70.2	35%	0.349	36%	0.355	S	S	.	.	H	α-helix	trans	-59.2	-45.2	174.2	-72.9	164.6	0	0	0	111	L237 N239 Y243 Y244 H245	L237-I241 HydrophobicContact CG-CD1 4.13Å; L237-I241 VanDerWaalsContact O-CG1 3.32Å; L237-I241 WeakPolarHBondContact O-CG1 3.28Å; L237-I241 PolarHBondContact O-N 3.47Å; N239-I241 VanDerWaalsContact C-N 3.33Å; I241-Y243 VanDerWaalsContact C-N 3.33Å; I241-Y243 PolarHBondContact O-N 3.39Å; I241-Y244 PolarHBondContact O-N 2.87Å; I241-H245 PolarHBondContact O-CD2 2.9Å; I241-H245 PolarHBondContact O-N 2.72Å
242	K	95.6	Very high	95.1	Very high	100 Å²	100	72.3 Å²	72.3	44%	0.435	37%	0.367	S	S	.	.	H	α-helix	trans	-57.4	-44	173.5	-66.1	172	-168.9	169.5	0	112.2	N142 Q238 N239 L240 H245 A246	N142-K242 WeakPolarHBondContact OD1-CB 3.46Å; N142-K242 WeakPolarHBondContact OD1-CD 3.46Å; Q238-K242 WeakPolarHBondContact O-CG 3.2Å; Q238-K242 PolarHBondContact O-N 3.16Å; N239-K242 WeakPolarHBondContact O-CB 3.35Å; N239-K242 PolarHBondContact O-N 3.02Å; N239-K242 WeakPolarHBondContact OD1-CE 3.31Å; N239-K242 PolarHBondContact OD1-NZ 2.95Å; L240-K242 PolarHBondContact O-N 2.86Å; K242-H245 PolarHBondContact O-N 2.78Å; K242-A246 PolarHBondContact O-N 3.32Å
243	Y	96.5	Very high	95.2	Very high	27 Å²	27	72.8 Å²	72.8	11%	0.106	37%	0.371	C	S	.	.	H	α-helix	trans	-63.7	-44.8	177.1	172.4	-104.6	0	0	0	112.2	L135 L139 V143 N239 L240 I241 H245 A246 Q247	L135-Y243 HydrophobicContact CD1-CD2 4.33Å; L135-Y243 HydrophobicContact CD1-CE2 3.57Å; L135-Y243 HydrophobicContact CG-CE2 4.27Å; L139-Y243 HydrophobicContact CB-CD2 4.02Å; L139-Y243 HydrophobicContact CB-CE2 3.64Å; L139-Y243 HydrophobicContact CD1-CD1 4.33Å; L139-Y243 HydrophobicContact CD1-CD2 3.93Å; L139-Y243 HydrophobicContact CD1-CE1 4.05Å; L139-Y243 HydrophobicContact CD1-CE2 3.62Å; L139-Y243 HydrophobicContact CD1-CG 4.28Å; L139-Y243 HydrophobicContact CG-CE2 4.2Å; V143-Y243 HydrophobicContact CG2-CD1 4.33Å; V143-Y243 HydrophobicContact CG2-CD2 4.47Å; V143-Y243 HydrophobicContact CG2-CG 3.89Å; N239-Y243 PolarHBondContact O-N 2.92Å; N239-Y243 VanDerWaalsContact O-N 3.08Å; L240-Y243 PolarHBondContact O-N 3.45Å; I241-Y243 VanDerWaalsContact C-N 3.33Å; I241-Y243 PolarHBondContact O-N 3.39Å; Y243-H245 VanDerWaalsContact C-N 3.32Å; Y243-H245 PolarHBondContact O-N 2.82Å; Y243-A246 WeakPolarHBondContact O-CB 3.42Å; Y243-A246 PolarHBondContact O-N 3.04Å; Y243-A246 VanDerWaalsContact O-N 3.13Å; Y243-Q247 PolarHBondContact O-N 3.27Å
244	Y	96.3	Very high	95.4	Very high	140 Å²	140	71.7 Å²	71.7	55%	0.549	36%	0.36	S	S	.	.	H	α-helix	trans	-65.8	-32.1	176.8	-80.8	-67.7	0	0	0	112.9	L240 I241 Q247 C248	L240-Y244 VanDerWaalsContact O-CD2 3.28Å; L240-Y244 WeakPolarHBondContact O-CD2 3.17Å; L240-Y244 PolarHBondContact O-N 3.15Å; I241-Y244 PolarHBondContact O-N 2.87Å; Y244-Q247 VanDerWaalsContact CD1-OE1 3.31Å; Y244-Q247 PolarHBondContact O-N 3.23Å; Y244-C248 PolarHBondContact O-N 3.15Å; Y244-C248 PolarHBondContact O-SG 2.9Å; Y244-C248 VanDerWaalsContact O-SG 3.34Å
245	H	96.1	Very high	95.5	Very high	118 Å²	118	72.2 Å²	72.2	55%	0.546	36%	0.359	S	S	.	.	H	α-helix	trans	-63.8	-44.4	168.6	-74.5	-61.1	0	0	0	112.2	I241 K242 Y243 Q247 C248 N249	I241-H245 PolarHBondContact O-CD2 2.9Å; I241-H245 PolarHBondContact O-N 2.72Å; K242-H245 PolarHBondContact O-N 2.78Å; Y243-H245 VanDerWaalsContact C-N 3.32Å; Y243-H245 PolarHBondContact O-N 2.82Å; H245-Q247 VanDerWaalsContact C-N 3.27Å; H245-Q247 PolarHBondContact O-N 3.35Å; H245-C248 PolarHBondContact O-N 3.01Å; H245-N249 VanDerWaalsContact O-CG 3.28Å; H245-N249 PolarHBondContact O-N 3.49Å; H245-N249 PolarHBondContact O-OD1 3.17Å
246	A	95.5	Very high	95.6	Very high	31 Å²	31	74.5 Å²	74.5	26%	0.256	37%	0.366	S	S	.	.	H	α-helix	trans	-60.6	-37.3	173.9	0	0	0	0	0	112.1	L135 K242 Y243 N249 F250	L135-A246 HydrophobicContact CD1-CB 4.29Å; K242-A246 PolarHBondContact O-N 3.32Å; Y243-A246 WeakPolarHBondContact O-CB 3.42Å; Y243-A246 PolarHBondContact O-N 3.04Å; Y243-A246 VanDerWaalsContact O-N 3.13Å; A246-N249 PolarHBondContact O-N 2.82Å; A246-F250 WeakPolarHBondContact O-CB 3.41Å; A246-F250 PolarHBondContact O-N 3.06Å
247	Q	95.1	Very high	95.5	Very high	48 Å²	48	74 Å²	74	22%	0.224	36%	0.364	C	S	.	.	H	α-helix	trans	-68	-40.4	175.8	-165.4	175.8	25.1	0	0	112.6	L135 Y243 Y244 H245 F250 F251	L135-Q247 HydrophobicContact CD1-CB 3.92Å; L135-Q247 HydrophobicContact CD1-CG 4.34Å; L135-Q247 HydrophobicContact CD2-CG 4.23Å; Y243-Q247 PolarHBondContact O-N 3.27Å; Y244-Q247 VanDerWaalsContact CD1-OE1 3.31Å; Y244-Q247 PolarHBondContact O-N 3.23Å; H245-Q247 VanDerWaalsContact C-N 3.27Å; H245-Q247 PolarHBondContact O-N 3.35Å; Q247-F250 PolarHBondContact O-N 3.02Å; Q247-F251 HydrophobicContact CG-CD2 4.06Å; Q247-F251 HydrophobicContact CG-CE2 3.68Å; Q247-F251 WeakPolarHBondContact O-CD2 3.47Å; Q247-F251 PolarHBondContact O-N 2.97Å; Q247-F251 VanDerWaalsContact O-N 3.1Å
248	C	96.1	Very high	95.3	Very high	65 Å²	65	71.1 Å²	71.1	44%	0.439	36%	0.355	S	S	.	.	H	α-helix	trans	-61.5	-42.7	172.1	-74.7	0	0	0	0	111.9	Y244 H245 F251 Q252	Y244-C248 PolarHBondContact O-N 3.15Å; Y244-C248 PolarHBondContact O-SG 2.9Å; Y244-C248 VanDerWaalsContact O-SG 3.34Å; H245-C248 PolarHBondContact O-N 3.01Å; C248-F251 PolarHBondContact O-N 3.43Å; C248-Q252 WeakPolarHBondContact O-CG 3.08Å; C248-Q252 PolarHBondContact O-N 3.23Å
249	N	95	Very high	95.1	Very high	85 Å²	85	70 Å²	70	46%	0.455	35%	0.352	S	S	.	.	H	α-helix	trans	-64.6	-46.5	177.4	-66	1.8	0	0	0	111	H245 A246 F251 Q252 D253	H245-N249 VanDerWaalsContact O-CG 3.28Å; H245-N249 PolarHBondContact O-N 3.49Å; H245-N249 PolarHBondContact O-OD1 3.17Å; A246-N249 PolarHBondContact O-N 2.82Å; N249-F251 VanDerWaalsContact C-N 3.32Å; N249-F251 PolarHBondContact O-N 3.2Å; N249-Q252 PolarHBondContact O-N 3.44Å; N249-Q252 VanDerWaalsContact O-N 3.08Å; N249-D253 PolarHBondContact O-N 2.71Å
250	F	96.9	Very high	94.9	Very high	43 Å²	43	73.3 Å²	73.3	19%	0.189	37%	0.365	C	S	.	.	H	α-helix	trans	-51	-48.6	173.8	166	-99.8	0	0	0	112.3	L131 L132 L135 A246 Q247 G254	L131-F250 HydrophobicContact CB-CD2 3.83Å; L131-F250 HydrophobicContact CB-CE2 4.01Å; L131-F250 WeakPolarHBondContact O-CD2 3.04Å; L132-F250 HydrophobicContact CB-CE2 3.88Å; L132-F250 HydrophobicContact CB-CZ 4.41Å; L132-F250 HydrophobicContact CD1-CE2 4.31Å; L132-F250 HydrophobicContact CD1-CZ 4.23Å; L135-F250 HydrophobicContact CB-CB 4.23Å; L135-F250 HydrophobicContact CB-CD2 4.23Å; L135-F250 HydrophobicContact CB-CG 4.22Å; L135-F250 HydrophobicContact CD1-CB 4.48Å; L135-F250 HydrophobicContact CD2-CB 4.03Å; L135-F250 HydrophobicContact CD2-CD1 3.64Å; L135-F250 HydrophobicContact CD2-CD2 4.28Å; L135-F250 HydrophobicContact CD2-CE1 4.17Å; L135-F250 HydrophobicContact CD2-CG 3.69Å; L135-F250 HydrophobicContact CG-CB 4.48Å; L135-F250 HydrophobicContact CG-CG 4.49Å; A246-F250 WeakPolarHBondContact O-CB 3.41Å; A246-F250 PolarHBondContact O-N 3.06Å; Q247-F250 PolarHBondContact O-N 3.02Å; F250-G254 WeakPolarHBondContact O-CA 3.2Å; F250-G254 PolarHBondContact O-N 3.26Å
251	F	96.3	Very high	94.6	Very high	127 Å²	127	72.4 Å²	72.4	56%	0.557	36%	0.36	S	S	*	.	H	α-helix	trans	-68.7	-34.9	178.2	-73.6	-56.2	0	0	0	113.3	Q247 C248 N249 L255	Q247-F251 HydrophobicContact CG-CD2 4.06Å; Q247-F251 HydrophobicContact CG-CE2 3.68Å; Q247-F251 WeakPolarHBondContact O-CD2 3.47Å; Q247-F251 PolarHBondContact O-N 2.97Å; Q247-F251 VanDerWaalsContact O-N 3.1Å; C248-F251 PolarHBondContact O-N 3.43Å; N249-F251 VanDerWaalsContact C-N 3.32Å; N249-F251 PolarHBondContact O-N 3.2Å; F251-L255 VanDerWaalsContact O-CB 3.25Å; F251-L255 WeakPolarHBondContact O-CB 3.44Å; F251-L255 PolarHBondContact O-N 3.4Å
252	Q	96.2	Very high	94.3	Very high	114 Å²	114	74.6 Å²	74.6	53%	0.533	37%	0.367	S	S	.	.	H	α-helix	trans	-69.2	-42.4	176.8	-74.3	179.5	29.6	0	0	112.6	C248 N249 K256	C248-Q252 WeakPolarHBondContact O-CG 3.08Å; C248-Q252 PolarHBondContact O-N 3.23Å; N249-Q252 PolarHBondContact O-N 3.44Å; N249-Q252 VanDerWaalsContact O-N 3.08Å; Q252-K256 WeakPolarHBondContact O-CE 3.34Å; Q252-K256 WeakPolarHBondContact O-CG 3.38Å; Q252-K256 PolarHBondContact O-N 2.88Å
253	D	95.4	Very high	94.1	Very high	59 Å²	59	76.4 Å²	76.4	32%	0.316	38%	0.377	S	S	.	.	H	α-helix	trans	-77.7	-37.3	-180	-66.1	-36.8	0	0	0	111.6	L131 N249 L255 K256 T257	L131-D253 HydrophobicContact CD1-CB 4.06Å; L131-D253 HydrophobicContact CD2-CB 3.96Å; N249-D253 PolarHBondContact O-N 2.71Å; D253-L255 VanDerWaalsContact C-N 3.31Å; D253-L255 PolarHBondContact O-N 3.37Å; D253-K256 WeakPolarHBondContact O-CB 3.46Å; D253-K256 PolarHBondContact O-N 2.85Å; D253-K256 VanDerWaalsContact O-N 3.17Å; D253-K256 IonicContact OD1-NZ 3.85Å; D253-K256 PolarHBondContact OD1-NZ 3.37Å; D253-T257 PolarHBondContact O-N 2.63Å
254	G	95.4	Very high	93.8	Very high	13 Å²	13	77 Å²	77	13%	0.134	38%	0.379	C	S	.	.	H	α-helix	trans	-60.9	-38.7	171.9	0	0	0	0	0	112.5	F250 T257 A258	F250-G254 WeakPolarHBondContact O-CA 3.2Å; F250-G254 PolarHBondContact O-N 3.26Å; G254-T257 PolarHBondContact O-N 3.35Å; G254-A258 WeakPolarHBondContact O-CB 3.32Å; G254-A258 PolarHBondContact O-N 2.99Å
255	L	94.6	Very high	93.6	Very high	106 Å²	106	74 Å²	74	56%	0.555	37%	0.373	S	S	*	.	H	α-helix	trans	-63.1	-43.4	173	-179.9	61	0	0	0	111.9	F251 D253 T257 A258 D259	F251-L255 VanDerWaalsContact O-CB 3.25Å; F251-L255 WeakPolarHBondContact O-CB 3.44Å; F251-L255 PolarHBondContact O-N 3.4Å; D253-L255 VanDerWaalsContact C-N 3.31Å; D253-L255 PolarHBondContact O-N 3.37Å; L255-T257 VanDerWaalsContact C-N 3.33Å; L255-T257 PolarHBondContact O-N 2.56Å; L255-A258 PolarHBondContact O-N 2.89Å; L255-D259 PolarHBondContact O-N 2.9Å
256	K	94.1	Very high	93.4	Very high	114 Å²	114	74.1 Å²	74.1	50%	0.496	37%	0.373	S	S	.	.	H	α-helix	trans	-59.9	-42.5	176.5	-65.4	163	-156.9	165.3	0	111.5	Q252 D253 D259 K260	Q252-K256 WeakPolarHBondContact O-CE 3.34Å; Q252-K256 WeakPolarHBondContact O-CG 3.38Å; Q252-K256 PolarHBondContact O-N 2.88Å; D253-K256 WeakPolarHBondContact O-CB 3.46Å; D253-K256 PolarHBondContact O-N 2.85Å; D253-K256 VanDerWaalsContact O-N 3.17Å; D253-K256 IonicContact OD1-NZ 3.85Å; D253-K256 PolarHBondContact OD1-NZ 3.37Å; K256-D259 PolarHBondContact O-N 3.01Å; K256-K260 PolarHBondContact O-N 3.02Å; K256-K260 VanDerWaalsContact O-N 3.16Å
257	T	92.9	Very high	93.2	Very high	9 Å²	9	78.4 Å²	78.4	6%	0.055	39%	0.386	C	S	.	.	H	α-helix	trans	-69.6	-36	175.8	-70.1	0	0	0	0	112.2	L124 E127 L128 D253 G254 L255 K260 L261	L124-T257 HydrophobicContact CD2-CG2 4.09Å; E127-T257 HydrophobicContact CB-CG2 3.91Å; E127-T257 WeakPolarHBondContact OE2-CB 3.07Å; E127-T257 WeakPolarHBondContact OE2-CG2 3.19Å; E127-T257 PolarHBondContact OE2-OG1 3.33Å; L128-T257 HydrophobicContact CD2-CG2 3.75Å; L128-T257 HydrophobicContact CG-CG2 3.83Å; D253-T257 PolarHBondContact O-N 2.63Å; G254-T257 PolarHBondContact O-N 3.35Å; L255-T257 VanDerWaalsContact C-N 3.33Å; L255-T257 PolarHBondContact O-N 2.56Å; T257-K260 WeakPolarHBondContact O-CB 3.27Å; T257-K260 PolarHBondContact O-N 3.27Å; T257-L261 PolarHBondContact O-N 2.85Å
258	A	90.7	Very high	93	Very high	41 Å²	41	76.8 Å²	76.8	34%	0.339	38%	0.379	S	S	.	.	H	α-helix	trans	-64.8	-35.9	172.5	0	0	0	0	0	112.7	G254 L255 L261 K262	G254-A258 WeakPolarHBondContact O-CB 3.32Å; G254-A258 PolarHBondContact O-N 2.99Å; L255-A258 PolarHBondContact O-N 2.89Å; A258-L261 WeakPolarHBondContact O-CB 3.31Å; A258-L261 PolarHBondContact O-N 3.21Å; A258-K262 WeakPolarHBondContact O-CB 3.43Å; A258-K262 PolarHBondContact O-N 3.25Å
259	D	92.4	Very high	92.9	Very high	77 Å²	77	76.5 Å²	76.5	41%	0.412	38%	0.381	S	S	.	.	H	α-helix	trans	-67.4	-38.5	174	-80.9	-37.5	0	0	0	112.2	L255 K256 L261 K262 Q263	L255-D259 PolarHBondContact O-N 2.9Å; K256-D259 PolarHBondContact O-N 3.01Å; D259-L261 VanDerWaalsContact C-N 3.34Å; D259-L261 PolarHBondContact O-N 2.92Å; D259-K262 PolarHBondContact O-N 2.89Å; D259-Q263 WeakPolarHBondContact O-CG 3.46Å; D259-Q263 PolarHBondContact O-N 2.83Å; D259-Q263 VanDerWaalsContact O-N 3.13Å
260	K	89.8	Confident	92.7	Very high	97 Å²	97	74.9 Å²	74.9	42%	0.422	38%	0.38	S	S	.	.	H	α-helix	trans	-56.5	-49.6	169.1	-60.5	172.8	-171.3	169.7	0	110.6	L124 E127 K256 T257 K262 Q263 Y264	L124-K260 HydrophobicContact CD2-CB 4.26Å; L124-K260 HydrophobicContact CD2-CD 4.16Å; E127-K260 IonicContact OE1-NZ 3.79Å; E127-K260 PolarHBondContact OE1-NZ 3.09Å; E127-K260 IonicContact OE2-NZ 2.86Å; E127-K260 PolarHBondContact OE2-NZ 3.19Å; K256-K260 PolarHBondContact O-N 3.02Å; K256-K260 VanDerWaalsContact O-N 3.16Å; T257-K260 WeakPolarHBondContact O-CB 3.27Å; T257-K260 PolarHBondContact O-N 3.27Å; K260-K262 PolarHBondContact O-N 3.46Å; K260-Q263 PolarHBondContact O-N 2.96Å; K260-Y264 PolarHBondContact O-N 3.29Å; K260-Y264 VanDerWaalsContact O-N 3.08Å
261	L	89.8	Confident	92.3	Very high	39 Å²	39	75 Å²	75	20%	0.204	38%	0.382	C	S	.	.	H	α-helix	trans	-61.5	-43.5	-177.9	175.1	62.3	0	0	0	111.2	F121 L124 T257 A258 D259 Y264 I265	F121-L261 HydrophobicContact CD1-CD1 3.75Å; F121-L261 HydrophobicContact CE1-CD1 3.71Å; L124-L261 HydrophobicContact CB-CD1 4.48Å; L124-L261 HydrophobicContact CD1-CB 4.06Å; L124-L261 HydrophobicContact CD1-CD1 3.66Å; L124-L261 HydrophobicContact CD1-CG 4.46Å; T257-L261 PolarHBondContact O-N 2.85Å; A258-L261 WeakPolarHBondContact O-CB 3.31Å; A258-L261 PolarHBondContact O-N 3.21Å; D259-L261 VanDerWaalsContact C-N 3.34Å; D259-L261 PolarHBondContact O-N 2.92Å; L261-Y264 PolarHBondContact O-N 2.87Å; L261-I265 HydrophobicContact CD1-CD1 3.92Å; L261-I265 HydrophobicContact CD1-CG1 4.2Å; L261-I265 HydrophobicContact CG-CD1 3.82Å; L261-I265 HydrophobicContact CG-CG1 4.49Å; L261-I265 VanDerWaalsContact O-CG1 3.32Å; L261-I265 WeakPolarHBondContact O-CG1 3.06Å; L261-I265 PolarHBondContact O-N 3.25Å
262	K	90.3	Very high	92.1	Very high	114 Å²	114	72.4 Å²	72.4	50%	0.496	37%	0.374	S	S	.	.	H	α-helix	trans	-58.7	-50.9	176.4	-178.7	-171.3	163.3	-170.5	0	111.9	A258 D259 K260 Y264 I265 E266	A258-K262 WeakPolarHBondContact O-CB 3.43Å; A258-K262 PolarHBondContact O-N 3.25Å; D259-K262 PolarHBondContact O-N 2.89Å; K260-K262 PolarHBondContact O-N 3.46Å; K262-Y264 PolarHBondContact O-N 2.79Å; K262-I265 PolarHBondContact O-N 3.1Å; K262-E266 WeakPolarHBondContact CE-OE1 3.37Å; K262-E266 IonicContact NZ-OE1 3.05Å; K262-E266 WeakPolarHBondContact O-CG 3.49Å; K262-E266 PolarHBondContact O-N 2.9Å
263	Q	90.4	Very high	91.8	Very high	138 Å²	138	74.3 Å²	74.3	65%	0.645	38%	0.377	S	S	*	.	H	α-helix	trans	-59.1	-36.1	178.3	-68.7	172.7	21.2	0	0	111.7	D259 K260 K267	D259-Q263 WeakPolarHBondContact O-CG 3.46Å; D259-Q263 PolarHBondContact O-N 2.83Å; D259-Q263 VanDerWaalsContact O-N 3.13Å; K260-Q263 PolarHBondContact O-N 2.96Å; Q263-K267 PolarHBondContact O-N 2.81Å
264	Y	91.1	Very high	91.6	Very high	38 Å²	38	75.6 Å²	75.6	15%	0.149	38%	0.384	C	S	.	.	H	α-helix	trans	-70	-42.9	175.9	-176.2	-118.5	0	0	0	113	A117 K120 K260 L261 K262 E266 K267 L268	A117-Y264 WeakPolarHBondContact CA-OH 3.34Å; A117-Y264 VanDerWaalsContact CB-OH 3.29Å; A117-Y264 WeakPolarHBondContact CB-OH 3.46Å; K120-Y264 HydrophobicContact CB-CD1 4.27Å; K120-Y264 HydrophobicContact CB-CE1 3.77Å; K120-Y264 HydrophobicContact CD-CD2 4.27Å; K120-Y264 HydrophobicContact CD-CE1 4.02Å; K120-Y264 HydrophobicContact CD-CE2 3.79Å; K260-Y264 PolarHBondContact O-N 3.29Å; K260-Y264 VanDerWaalsContact O-N 3.08Å; L261-Y264 PolarHBondContact O-N 2.87Å; K262-Y264 PolarHBondContact O-N 2.79Å; Y264-E266 VanDerWaalsContact C-N 3.35Å; Y264-E266 PolarHBondContact O-N 3.17Å; Y264-K267 PolarHBondContact O-N 2.89Å; Y264-L268 HydrophobicContact CE1-CD2 4Å; Y264-L268 WeakPolarHBondContact O-CB 3.49Å; Y264-L268 PolarHBondContact O-N 3.46Å
265	I	92.3	Very high	91.3	Very high	79 Å²	79	76.4 Å²	76.4	41%	0.405	39%	0.385	S	S	.	.	H	α-helix	trans	-60.8	-42.9	175.9	-70	165.6	0	0	0	111.2	F121 L261 K262 K267 L268 A269	F121-I265 HydrophobicContact CE1-CD1 4.21Å; F121-I265 HydrophobicContact CE1-CG1 3.91Å; F121-I265 HydrophobicContact CZ-CG1 4.07Å; L261-I265 HydrophobicContact CD1-CD1 3.92Å; L261-I265 HydrophobicContact CD1-CG1 4.2Å; L261-I265 HydrophobicContact CG-CD1 3.82Å; L261-I265 HydrophobicContact CG-CG1 4.49Å; L261-I265 VanDerWaalsContact O-CG1 3.32Å; L261-I265 WeakPolarHBondContact O-CG1 3.06Å; L261-I265 PolarHBondContact O-N 3.25Å; K262-I265 PolarHBondContact O-N 3.1Å; I265-K267 VanDerWaalsContact C-N 3.31Å; I265-K267 PolarHBondContact O-N 3.15Å; I265-L268 PolarHBondContact O-N 2.69Å; I265-A269 WeakPolarHBondContact O-CB 3.48Å; I265-A269 PolarHBondContact O-N 3.16Å
266	E	91.8	Very high	91.2	Very high	120 Å²	120	77.6 Å²	77.6	56%	0.561	39%	0.386	S	S	*	.	H	α-helix	trans	-61.2	-37.4	179.4	-74.4	175.7	170.6	0	0	112.1	K262 Y264	K262-E266 WeakPolarHBondContact CE-OE1 3.37Å; K262-E266 IonicContact NZ-OE1 3.05Å; K262-E266 WeakPolarHBondContact O-CG 3.49Å; K262-E266 PolarHBondContact O-N 2.9Å; Y264-E266 VanDerWaalsContact C-N 3.35Å; Y264-E266 PolarHBondContact O-N 3.17Å
267	K	90.1	Very high	91.1	Very high	121 Å²	121	77.1 Å²	77.1	53%	0.526	39%	0.385	S	S	.	.	H	α-helix	trans	-71.4	-51.7	171.3	-165.2	-155.1	175.1	-120.3	0	111.7	Q263 Y264 I265 A269 A270 D271	Q263-K267 PolarHBondContact O-N 2.81Å; Y264-K267 PolarHBondContact O-N 2.89Å; I265-K267 VanDerWaalsContact C-N 3.31Å; I265-K267 PolarHBondContact O-N 3.15Å; K267-A269 PolarHBondContact O-N 3.07Å; K267-A270 WeakPolarHBondContact O-CB 3.42Å; K267-A270 PolarHBondContact O-N 3.46Å; K267-D271 WeakPolarHBondContact CE-OD2 3.25Å; K267-D271 IonicContact NZ-OD1 3.93Å; K267-D271 PolarHBondContact NZ-OD1 2.91Å; K267-D271 IonicContact NZ-OD2 3.62Å; K267-D271 PolarHBondContact NZ-OD2 3.07Å; K267-D271 PolarHBondContact O-N 3.21Å
268	L	92.3	Very high	91	Very high	14 Å²	14	80.3 Å²	80.3	7%	0.073	41%	0.405	C	S	.	.	H	α-helix	trans	-59.3	-33.6	-174.1	179.4	64.1	0	0	0	112.3	A117 F121 Y264 I265 A270 D271 L272	A117-L268 HydrophobicContact CB-CD1 3.77Å; A117-L268 HydrophobicContact CB-CD2 3.8Å; A117-L268 HydrophobicContact CB-CG 4.47Å; F121-L268 HydrophobicContact CE2-CD2 3.48Å; F121-L268 VanDerWaalsContact CE2-CD2 3.48Å; F121-L268 HydrophobicContact CZ-CD2 3.8Å; Y264-L268 HydrophobicContact CE1-CD2 4Å; Y264-L268 WeakPolarHBondContact O-CB 3.49Å; Y264-L268 PolarHBondContact O-N 3.46Å; I265-L268 PolarHBondContact O-N 2.69Å; L268-A270 VanDerWaalsContact C-N 3.27Å; L268-A270 PolarHBondContact O-N 3.08Å; L268-D271 PolarHBondContact O-N 3.32Å; L268-L272 HydrophobicContact CD1-CD1 4.3Å; L268-L272 HydrophobicContact CD1-CD2 4.45Å; L268-L272 HydrophobicContact CD1-CG 3.96Å; L268-L272 HydrophobicContact CD2-CD1 4.37Å; L268-L272 HydrophobicContact CG-CD1 3.87Å; L268-L272 HydrophobicContact CG-CG 4.04Å; L268-L272 WeakPolarHBondContact O-CB 3.48Å; L268-L272 VanDerWaalsContact O-CG 3.24Å; L268-L272 WeakPolarHBondContact O-CG 3.48Å; L268-L272 PolarHBondContact O-N 2.89Å
269	A	92.3	Very high	90.9	Very high	59 Å²	59	83.3 Å²	83.3	49%	0.488	41%	0.412	S	S	.	.	H	α-helix	trans	-60.6	-34.7	175.8	0	0	0	0	0	113.1	I265 K267 Y273	I265-A269 WeakPolarHBondContact O-CB 3.48Å; I265-A269 PolarHBondContact O-N 3.16Å; K267-A269 PolarHBondContact O-N 3.07Å; A269-Y273 WeakPolarHBondContact O-CB 3.3Å; A269-Y273 PolarHBondContact O-N 3.48Å
270	A	91.9	Very high	91	Very high	51 Å²	51	82.6 Å²	82.6	42%	0.421	41%	0.408	S	S	.	.	H	α-helix	trans	-75.2	-43.5	174.1	0	0	0	0	0	111.5	K267 L268 L272 Y273 N274	K267-A270 WeakPolarHBondContact O-CB 3.42Å; K267-A270 PolarHBondContact O-N 3.46Å; L268-A270 VanDerWaalsContact C-N 3.27Å; L268-A270 PolarHBondContact O-N 3.08Å; A270-L272 VanDerWaalsContact C-N 3.34Å; A270-L272 PolarHBondContact O-N 3.36Å; A270-Y273 PolarHBondContact O-N 3.08Å; A270-N274 VanDerWaalsContact O-CG 3.28Å; A270-N274 PolarHBondContact O-N 2.55Å; A270-N274 PolarHBondContact O-ND2 3.04Å
271	D	88.8	Confident	91.2	Very high	44 Å²	44	81.6 Å²	81.6	24%	0.235	41%	0.405	C	S	.	.	H	α-helix	trans	-58.7	-45.3	177	-61.6	-27.5	0	0	0	110.9	K267 L268 N274 I275	K267-D271 WeakPolarHBondContact CE-OD2 3.25Å; K267-D271 IonicContact NZ-OD1 3.93Å; K267-D271 PolarHBondContact NZ-OD1 2.91Å; K267-D271 IonicContact NZ-OD2 3.62Å; K267-D271 PolarHBondContact NZ-OD2 3.07Å; K267-D271 PolarHBondContact O-N 3.21Å; L268-D271 PolarHBondContact O-N 3.32Å; D271-N274 PolarHBondContact O-N 3.21Å; D271-I275 WeakPolarHBondContact O-CG1 3.32Å; D271-I275 PolarHBondContact O-N 3.2Å
272	L	90.7	Very high	91.3	Very high	74 Å²	74	84.5 Å²	84.5	39%	0.387	42%	0.417	S	S	.	.	H	α-helix	trans	-63.7	-38.3	175.3	-72.6	173.9	0	0	0	113.5	L114 L268 A270 N274 K276	L114-L272 HydrophobicContact CD2-CD2 3.39Å; L268-L272 HydrophobicContact CD1-CD1 4.3Å; L268-L272 HydrophobicContact CD1-CD2 4.45Å; L268-L272 HydrophobicContact CD1-CG 3.96Å; L268-L272 HydrophobicContact CD2-CD1 4.37Å; L268-L272 HydrophobicContact CG-CD1 3.87Å; L268-L272 HydrophobicContact CG-CG 4.04Å; L268-L272 WeakPolarHBondContact O-CB 3.48Å; L268-L272 VanDerWaalsContact O-CG 3.24Å; L268-L272 WeakPolarHBondContact O-CG 3.48Å; L268-L272 PolarHBondContact O-N 2.89Å; A270-L272 VanDerWaalsContact C-N 3.34Å; A270-L272 PolarHBondContact O-N 3.36Å; L272-N274 VanDerWaalsContact C-N 3.34Å; L272-K276 WeakPolarHBondContact O-CB 3.3Å; L272-K276 PolarHBondContact O-N 3.25Å
273	Y	91.8	Very high	91.4	Very high	154 Å²	154	85 Å²	85	60%	0.604	42%	0.419	S	S	*	.	H	α-helix	trans	-63.1	-43.5	175.5	179.3	-87.4	0	0	0	110.8	A269 A270 K276 Q277	A269-Y273 WeakPolarHBondContact O-CB 3.3Å; A269-Y273 PolarHBondContact O-N 3.48Å; A270-Y273 PolarHBondContact O-N 3.08Å; Y273-K276 PolarHBondContact O-N 2.97Å; Y273-Q277 VanDerWaalsContact CE1-OE1 3.26Å; Y273-Q277 WeakPolarHBondContact O-CB 3.32Å; Y273-Q277 PolarHBondContact O-N 2.7Å
274	N	90.8	Very high	91.6	Very high	86 Å²	86	83.8 Å²	83.8	46%	0.46	41%	0.412	S	S	.	.	H	α-helix	trans	-64.5	-48.1	177.7	-64.8	-28.4	0	0	0	111.8	A270 D271 L272 K276 Q277 T278	A270-N274 VanDerWaalsContact O-CG 3.28Å; A270-N274 PolarHBondContact O-N 2.55Å; A270-N274 PolarHBondContact O-ND2 3.04Å; D271-N274 PolarHBondContact O-N 3.21Å; L272-N274 VanDerWaalsContact C-N 3.34Å; N274-K276 VanDerWaalsContact C-N 3.31Å; N274-K276 PolarHBondContact O-N 3.41Å; N274-Q277 PolarHBondContact O-N 3.17Å; N274-Q277 VanDerWaalsContact O-N 3.12Å; N274-T278 PolarHBondContact O-N 3.42Å; N274-T278 PolarHBondContact O-OG1 3.25Å
275	I	88.8	Confident	91.8	Very high	30 Å²	30	87.9 Å²	87.9	15%	0.154	43%	0.433	C	S	.	.	H	α-helix	trans	-56.1	-46.7	176.7	-69.2	165.4	0	0	0	110.6	D113 L114 D271 T278 Q279	D113-I275 HydrophobicContact CB-CD1 4.29Å; L114-I275 HydrophobicContact CG-CD1 4.38Å; D271-I275 WeakPolarHBondContact O-CG1 3.32Å; D271-I275 PolarHBondContact O-N 3.2Å; I275-T278 PolarHBondContact O-N 2.96Å; I275-Q279 WeakPolarHBondContact O-CG 3.39Å; I275-Q279 PolarHBondContact O-N 3.49Å; I275-Q279 VanDerWaalsContact O-N 3.1Å
276	K	91.3	Very high	91.7	Very high	130 Å²	130	89.9 Å²	89.9	57%	0.565	44%	0.443	S	S	*	.	H	α-helix	trans	-63.6	-42.1	176.8	-176	-178.5	175	-174.5	0	112.1	L272 Y273 N274 T278 Q279 D280	L272-K276 WeakPolarHBondContact O-CB 3.3Å; L272-K276 PolarHBondContact O-N 3.25Å; Y273-K276 PolarHBondContact O-N 2.97Å; N274-K276 VanDerWaalsContact C-N 3.31Å; N274-K276 PolarHBondContact O-N 3.41Å; K276-T278 VanDerWaalsContact C-N 3.31Å; K276-T278 PolarHBondContact O-N 3.46Å; K276-Q279 PolarHBondContact O-N 2.97Å; K276-D280 VanDerWaalsContact CE-OD2 3.3Å; K276-D280 WeakPolarHBondContact CE-OD2 3.39Å; K276-D280 PolarHBondContact O-N 3.35Å
277	Q	93.9	Very high	91.6	Very high	104 Å²	104	86.7 Å²	86.7	49%	0.486	43%	0.432	S	S	.	.	H	α-helix	trans	-62	-40.1	179	-178.5	173.4	-18.7	0	0	111.5	Y273 N274 E281	Y273-Q277 VanDerWaalsContact CE1-OE1 3.26Å; Y273-Q277 WeakPolarHBondContact O-CB 3.32Å; Y273-Q277 PolarHBondContact O-N 2.7Å; N274-Q277 PolarHBondContact O-N 3.17Å; N274-Q277 VanDerWaalsContact O-N 3.12Å; Q277-E281 WeakPolarHBondContact O-CB 3.33Å; Q277-E281 PolarHBondContact O-N 2.97Å
278	T	90.2	Very high	91.6	Very high	76 Å²	76	83.9 Å²	83.9	47%	0.466	43%	0.431	S	S	.	.	H	α-helix	trans	-60.2	-50.9	172.9	-57.8	0	0	0	0	110.9	N274 I275 K276 D280 E281 E282	N274-T278 PolarHBondContact O-N 3.42Å; N274-T278 PolarHBondContact O-OG1 3.25Å; I275-T278 PolarHBondContact O-N 2.96Å; K276-T278 VanDerWaalsContact C-N 3.31Å; K276-T278 PolarHBondContact O-N 3.46Å; T278-D280 PolarHBondContact O-N 3.26Å; T278-E281 CarbonylContact O-C 3.45Å; T278-E281 PolarHBondContact O-N 2.9Å; T278-E282 HydrophobicContact CG2-CG 4.34Å; T278-E282 WeakPolarHBondContact O-CG 3.2Å; T278-E282 PolarHBondContact O-N 2.84Å
279	Q	88.6	Confident	91.5	Very high	105 Å²	105	87.5 Å²	87.5	49%	0.491	45%	0.451	S	S	.	.	H	α-helix	trans	-62.2	-39.9	179.5	-71.1	179.9	-21.4	0	0	113.4	I275 K276 E281 K283	I275-Q279 WeakPolarHBondContact O-CG 3.39Å; I275-Q279 PolarHBondContact O-N 3.49Å; I275-Q279 VanDerWaalsContact O-N 3.1Å; K276-Q279 PolarHBondContact O-N 2.97Å; Q279-E281 VanDerWaalsContact C-N 3.28Å; Q279-E281 PolarHBondContact O-N 2.97Å; Q279-K283 WeakPolarHBondContact O-CB 3.4Å; Q279-K283 PolarHBondContact O-N 2.92Å
280	D	93.6	Very high	91.5	Very high	61 Å²	61	91.2 Å²	91.2	33%	0.326	45%	0.452	S	S	.	.	H	α-helix	trans	-70	-23.7	175	-88.5	-40.1	0	0	0	112.1	K276 T278 K283 K284	K276-D280 VanDerWaalsContact CE-OD2 3.3Å; K276-D280 WeakPolarHBondContact CE-OD2 3.39Å; K276-D280 PolarHBondContact O-N 3.35Å; T278-D280 PolarHBondContact O-N 3.26Å; D280-K283 IonicContact OD1-NZ 2.74Å; D280-K283 PolarHBondContact OD1-NZ 3.26Å; D280-K284 WeakPolarHBondContact O-CE 3.47Å; D280-K284 WeakPolarHBondContact O-CG 2.99Å; D280-K284 PolarHBondContact O-N 3Å
281	E	94.6	Very high	91.4	Very high	77 Å²	77	91.7 Å²	91.7	36%	0.36	45%	0.448	S	S	.	.	H	α-helix	trans	-82	-43.8	173.2	-163.5	62.2	-121.3	0	0	112.7	Q277 T278 Q279 K283 K284 Q285	Q277-E281 WeakPolarHBondContact O-CB 3.33Å; Q277-E281 PolarHBondContact O-N 2.97Å; T278-E281 CarbonylContact O-C 3.45Å; T278-E281 PolarHBondContact O-N 2.9Å; Q279-E281 VanDerWaalsContact C-N 3.28Å; Q279-E281 PolarHBondContact O-N 2.97Å; E281-K283 PolarHBondContact O-N 3.48Å; E281-K284 CarbonylContact O-C 3.6Å; E281-K284 WeakPolarHBondContact O-CA 3.43Å; E281-K284 WeakPolarHBondContact O-CB 3.38Å; E281-K284 PolarHBondContact O-N 3.11Å; E281-K284 IonicContact OE1-NZ 2.72Å; E281-K284 WeakPolarHBondContact OE2-CE 3.32Å; E281-K284 IonicContact OE2-NZ 2.78Å; E281-K284 PolarHBondContact OE2-NZ 3.32Å; E281-Q285 WeakPolarHBondContact O-CG 3.42Å; E281-Q285 PolarHBondContact O-N 2.87Å
282	E	92.3	Very high	91.4	Very high	99 Å²	99	95.2 Å²	95.2	46%	0.463	47%	0.466	S	S	.	.	H	α-helix	trans	-54.1	-45.3	169.8	-71.3	168.6	165.7	0	0	110.6	T278 K284 Q285 L286	T278-E282 HydrophobicContact CG2-CG 4.34Å; T278-E282 WeakPolarHBondContact O-CG 3.2Å; T278-E282 PolarHBondContact O-N 2.84Å; E282-K284 VanDerWaalsContact C-N 3.34Å; E282-K284 PolarHBondContact O-N 2.86Å; E282-Q285 PolarHBondContact O-N 3.33Å; E282-L286 WeakPolarHBondContact O-CB 3.26Å; E282-L286 WeakPolarHBondContact O-CG 3.43Å; E282-L286 PolarHBondContact O-N 2.89Å
283	K	92.4	Very high	90.9	Very high	125 Å²	125	95.8 Å²	95.8	54%	0.543	47%	0.468	S	S	.	.	H	α-helix	trans	-61.2	-36.7	173.7	177.9	-179.9	169.3	-167.8	0	113.2	Q279 D280 E281 T287	Q279-K283 WeakPolarHBondContact O-CB 3.4Å; Q279-K283 PolarHBondContact O-N 2.92Å; D280-K283 IonicContact OD1-NZ 2.74Å; D280-K283 PolarHBondContact OD1-NZ 3.26Å; E281-K283 PolarHBondContact O-N 3.48Å; K283-T287 VanDerWaalsContact O-CB 3.26Å; K283-T287 WeakPolarHBondContact O-CB 3.29Å; K283-T287 PolarHBondContact O-N 3.03Å; K283-T287 PolarHBondContact O-OG1 3Å
284	K	95.2	Very high	90.2	Very high	112 Å²	112	94 Å²	94	49%	0.487	46%	0.464	S	S	.	.	H	α-helix	trans	-66.1	-44.8	171.3	-85.4	175.5	-102.5	163.5	0	111.4	D280 E281 E282 T287 A288	D280-K284 WeakPolarHBondContact O-CE 3.47Å; D280-K284 WeakPolarHBondContact O-CG 2.99Å; D280-K284 PolarHBondContact O-N 3Å; E281-K284 CarbonylContact O-C 3.6Å; E281-K284 WeakPolarHBondContact O-CA 3.43Å; E281-K284 WeakPolarHBondContact O-CB 3.38Å; E281-K284 PolarHBondContact O-N 3.11Å; E281-K284 IonicContact OE1-NZ 2.72Å; E281-K284 WeakPolarHBondContact OE2-CE 3.32Å; E281-K284 IonicContact OE2-NZ 2.78Å; E281-K284 PolarHBondContact OE2-NZ 3.32Å; E282-K284 VanDerWaalsContact C-N 3.34Å; E282-K284 PolarHBondContact O-N 2.86Å; K284-T287 WeakPolarHBondContact O-CB 3.38Å; K284-T287 PolarHBondContact O-N 3.06Å; K284-A288 WeakPolarHBondContact O-CB 3.12Å; K284-A288 PolarHBondContact O-N 3.33Å
285	Q	94.8	Very high	89.5	Confident	125 Å²	125	93.2 Å²	93.2	58%	0.584	47%	0.465	S	S	*	.	H	α-helix	trans	-62.4	-45.8	178	-67.3	174.5	26.9	0	0	111.5	E281 E282 T287 A288 L289	E281-Q285 WeakPolarHBondContact O-CG 3.42Å; E281-Q285 PolarHBondContact O-N 2.87Å; E282-Q285 PolarHBondContact O-N 3.33Å; Q285-T287 VanDerWaalsContact C-N 3.32Å; Q285-T287 PolarHBondContact O-N 2.64Å; Q285-A288 PolarHBondContact O-N 2.81Å; Q285-L289 VanDerWaalsContact O-CB 3.26Å; Q285-L289 WeakPolarHBondContact O-CB 3.28Å; Q285-L289 PolarHBondContact O-N 3.47Å
286	L	89.1	Confident	88.8	Confident	120 Å²	120	95 Å²	95	63%	0.628	48%	0.48	S	S	*	.	H	α-helix	trans	-62	-37.5	173.4	-70	170	0	0	0	112.3	E282 R290	E282-L286 WeakPolarHBondContact O-CB 3.26Å; E282-L286 WeakPolarHBondContact O-CG 3.43Å; E282-L286 PolarHBondContact O-N 2.89Å; L286-R290 VanDerWaalsContact O-CB 3.26Å; L286-R290 WeakPolarHBondContact O-CB 3.37Å; L286-R290 PolarHBondContact O-N 2.89Å
287	T	89.7	Confident	87.4	Confident	53 Å²	53	95.1 Å²	95.1	33%	0.325	49%	0.486	S	S	.	.	H	α-helix	trans	-65.5	-46.1	174.7	-62.3	0	0	0	0	111.4	K283 K284 Q285 R290 D291	K283-T287 VanDerWaalsContact O-CB 3.26Å; K283-T287 WeakPolarHBondContact O-CB 3.29Å; K283-T287 PolarHBondContact O-N 3.03Å; K283-T287 PolarHBondContact O-OG1 3Å; K284-T287 WeakPolarHBondContact O-CB 3.38Å; K284-T287 PolarHBondContact O-N 3.06Å; Q285-T287 VanDerWaalsContact C-N 3.32Å; Q285-T287 PolarHBondContact O-N 2.64Å; T287-R290 WeakPolarHBondContact O-CB 3.49Å; T287-R290 PolarHBondContact O-N 3.23Å; T287-D291 VanDerWaalsContact O-CG 3.32Å; T287-D291 PolarHBondContact O-N 2.66Å
288	A	91.1	Very high	85.6	Confident	62 Å²	62	95.5 Å²	95.5	51%	0.512	49%	0.488	S	S	.	.	H	α-helix	trans	-67.3	-39.2	177.8	0	0	0	0	0	112.2	K284 Q285 D291 L292	K284-A288 WeakPolarHBondContact O-CB 3.12Å; K284-A288 PolarHBondContact O-N 3.33Å; Q285-A288 PolarHBondContact O-N 2.81Å; A288-D291 PolarHBondContact O-N 2.8Å; A288-L292 WeakPolarHBondContact O-CB 3.31Å; A288-L292 PolarHBondContact O-N 2.9Å
289	L	89.9	Confident	83.5	Confident	91 Å²	91	98.5 Å²	98.5	48%	0.476	50%	0.5	S	S	.	.	H	α-helix	trans	-64.7	-44.5	175	178.9	59.9	0	0	0	111.4	Q285 D291 L292 I293	Q285-L289 VanDerWaalsContact O-CB 3.26Å; Q285-L289 WeakPolarHBondContact O-CB 3.28Å; Q285-L289 PolarHBondContact O-N 3.47Å; L289-D291 VanDerWaalsContact C-N 3.3Å; L289-D291 PolarHBondContact O-N 2.95Å; L289-L292 PolarHBondContact O-N 3.34Å; L289-I293 HydrophobicContact CD1-CD1 3.96Å; L289-I293 HydrophobicContact CD1-CG1 4.26Å; L289-I293 HydrophobicContact CG-CD1 3.9Å; L289-I293 WeakPolarHBondContact O-CB 3.49Å; L289-I293 VanDerWaalsContact O-CG1 3.26Å; L289-I293 WeakPolarHBondContact O-CG1 3.49Å; L289-I293 PolarHBondContact O-N 2.92Å
290	R	92.1	Very high	81.4	Confident	136 Å²	136	101 Å²	101	51%	0.513	52%	0.517	S	S	.	.	H	α-helix	trans	-54.9	-46.7	171.7	177.9	-156.8	72.1	-153.5	-0.1	111.2	L286 T287 I293 K294	L286-R290 VanDerWaalsContact O-CB 3.26Å; L286-R290 WeakPolarHBondContact O-CB 3.37Å; L286-R290 PolarHBondContact O-N 2.89Å; T287-R290 WeakPolarHBondContact O-CB 3.49Å; T287-R290 PolarHBondContact O-N 3.23Å; R290-I293 PolarHBondContact O-N 2.86Å; R290-K294 VanDerWaalsContact O-CB 3.3Å; R290-K294 WeakPolarHBondContact O-CB 3.28Å; R290-K294 PolarHBondContact O-N 3.34Å
291	D	89	Confident	79	Confident	62 Å²	62	106.5 Å²	106.5	33%	0.332	54%	0.541	S	S	.	.	H	α-helix	trans	-74.8	-29.9	-176.8	-66.9	-18.9	0	0	0	112.5	T287 A288 L289 S295	T287-D291 VanDerWaalsContact O-CG 3.32Å; T287-D291 PolarHBondContact O-N 2.66Å; A288-D291 PolarHBondContact O-N 2.8Å; L289-D291 VanDerWaalsContact C-N 3.3Å; L289-D291 PolarHBondContact O-N 2.95Å; D291-S295 WeakPolarHBondContact O-CB 3.33Å; D291-S295 PolarHBondContact O-N 2.98Å; D291-S295 PolarHBondContact O-OG 3.47Å
292	L	89.4	Confident	76.7	Confident	117 Å²	117	111.9 Å²	111.9	61%	0.613	56%	0.563	S	S	*	*	H	α-helix	trans	-65.4	-48.7	169.4	-178.5	65.9	0	0	0	111.5	A288 L289 K294 S295 S296	A288-L292 WeakPolarHBondContact O-CB 3.31Å; A288-L292 PolarHBondContact O-N 2.9Å; L289-L292 PolarHBondContact O-N 3.34Å; L292-K294 VanDerWaalsContact C-N 3.3Å; L292-K294 PolarHBondContact O-N 2.92Å; L292-S295 WeakPolarHBondContact O-CB 3.03Å; L292-S295 PolarHBondContact O-N 2.86Å; L292-S295 VanDerWaalsContact O-N 3.1Å; L292-S296 PolarHBondContact O-N 2.76Å; L292-S296 PolarHBondContact O-OG 3.32Å
293	I	80.3	Confident	74	Confident	87 Å²	87	116.1 Å²	116.1	45%	0.446	58%	0.583	S	S	.	*	H	α-helix	trans	-59.9	-42.3	175.1	-69	164.7	0	0	0	110.4	L289 R290 S295 S296 L297	L289-I293 HydrophobicContact CD1-CD1 3.96Å; L289-I293 HydrophobicContact CD1-CG1 4.26Å; L289-I293 HydrophobicContact CG-CD1 3.9Å; L289-I293 WeakPolarHBondContact O-CB 3.49Å; L289-I293 VanDerWaalsContact O-CG1 3.26Å; L289-I293 WeakPolarHBondContact O-CG1 3.49Å; L289-I293 PolarHBondContact O-N 2.92Å; R290-I293 PolarHBondContact O-N 2.86Å; I293-S295 VanDerWaalsContact C-N 3.27Å; I293-S295 PolarHBondContact O-N 2.93Å; I293-S296 PolarHBondContact O-N 3.18Å; I293-S296 PolarHBondContact O-OG 3.5Å; I293-L297 HydrophobicContact CG2-CD1 4.07Å; I293-L297 WeakPolarHBondContact O-CD1 3.43Å; I293-L297 VanDerWaalsContact O-CG 3.26Å; I293-L297 WeakPolarHBondContact O-CG 3.49Å; I293-L297 PolarHBondContact O-N 3.07Å; I293-L297 VanDerWaalsContact O-N 3.13Å
294	K	77.3	Confident	71	Confident	117 Å²	117	117.6 Å²	117.6	51%	0.509	60%	0.596	S	S	.	*	H	α-helix	trans	-64.5	-32.3	176	-169.6	172.1	-176.7	176.2	0	112.6	R290 L292 Q298	R290-K294 VanDerWaalsContact O-CB 3.3Å; R290-K294 WeakPolarHBondContact O-CB 3.28Å; R290-K294 PolarHBondContact O-N 3.34Å; L292-K294 VanDerWaalsContact C-N 3.3Å; L292-K294 PolarHBondContact O-N 2.92Å; K294-Q298 WeakPolarHBondContact O-CG 3.45Å
295	S	76.6	Confident	68.4	Low	69 Å²	69	117.5 Å²	117.5	48%	0.483	61%	0.61	S	S	.	*	H	α-helix	trans	-77.1	-38.4	177.4	-57.3	0	0	0	0	112.4	D291 L292 I293 L297 Q298	D291-S295 WeakPolarHBondContact O-CB 3.33Å; D291-S295 PolarHBondContact O-N 2.98Å; D291-S295 PolarHBondContact O-OG 3.47Å; L292-S295 WeakPolarHBondContact O-CB 3.03Å; L292-S295 PolarHBondContact O-N 2.86Å; L292-S295 VanDerWaalsContact O-N 3.1Å; I293-S295 VanDerWaalsContact C-N 3.27Å; I293-S295 PolarHBondContact O-N 2.93Å; S295-L297 VanDerWaalsContact C-N 3.32Å; S295-L297 PolarHBondContact O-N 3.35Å; S295-Q298 PolarHBondContact O-N 2.93Å; S295-Q298 VanDerWaalsContact O-N 3.15Å
296	S	72.8	Confident	65.5	Low	67 Å²	67	120.5 Å²	120.5	47%	0.469	62%	0.624	S	S	.	*	H	α-helix	trans	-66.7	-34.5	175.9	57.8	0	0	0	0	112.2	L292 I293 Q298 L299	L292-S296 PolarHBondContact O-N 2.76Å; L292-S296 PolarHBondContact O-OG 3.32Å; I293-S296 PolarHBondContact O-N 3.18Å; I293-S296 PolarHBondContact O-OG 3.5Å; S296-Q298 PolarHBondContact O-N 3.5Å; S296-Q298 VanDerWaalsContact O-N 3.11Å; S296-L299 PolarHBondContact O-N 2.92Å
297	L	63.1	Low	62.7	Low	133 Å²	133	120 Å²	120	70%	0.696	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.1	-5.9	172.3	-71	168.4	0	0	0	114.6	I293 S295	I293-L297 HydrophobicContact CG2-CD1 4.07Å; I293-L297 WeakPolarHBondContact O-CD1 3.43Å; I293-L297 VanDerWaalsContact O-CG 3.26Å; I293-L297 WeakPolarHBondContact O-CG 3.49Å; I293-L297 PolarHBondContact O-N 3.07Å; I293-L297 VanDerWaalsContact O-N 3.13Å; S295-L297 VanDerWaalsContact C-N 3.32Å; S295-L297 PolarHBondContact O-N 3.35Å
298	Q	55.2	Low	60	Low	111 Å²	111	128.9 Å²	128.9	52%	0.519	66%	0.658	S	S	.	*	T	Hydrogen-bonded Turn	trans	-105.4	0.6	178.5	-69.3	-176	-11.8	0	0	114.1	K294 S295 S296	K294-Q298 WeakPolarHBondContact O-CG 3.45Å; S295-Q298 PolarHBondContact O-N 2.93Å; S295-Q298 VanDerWaalsContact O-N 3.15Å; S296-Q298 PolarHBondContact O-N 3.5Å; S296-Q298 VanDerWaalsContact O-N 3.11Å
299	L	47.2	Very low	56.9	Low	139 Å²	139	135.5 Å²	135.5	73%	0.728	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	-25.3	-177.8	-83.5	165.5	0	0	0	114.7	S296 Q301	S296-L299 PolarHBondContact O-N 2.92Å; L299-Q301 PolarHBondContact O-N 2.87Å
300	D	44.2	Very low	54.2	Low	157 Å²	157	135 Å²	135	84%	0.84	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	5.9	-174.2	-68.6	-28.6	0	0	0	115	K302	D300-K302 VanDerWaalsContact C-N 3.33Å; D300-K302 PolarHBondContact O-N 3.47Å
301	Q	42.6	Very low	51	Low	177 Å²	177	131.8 Å²	131.8	83%	0.827	71%	0.705	S	S	*	*			trans	-91.4	33.7	-179.5	-67.2	-162.7	18.8	0	0	114.9	L299	L299-Q301 PolarHBondContact O-N 2.87Å
302	K	47.2	Very low	48.4	Very low	190 Å²	190	140.8 Å²	140.8	83%	0.826	74%	0.736	S	S	*	*			trans	-149.6	91.7	163.2	-77.1	-164.9	178.4	-178.5	0	112.9	D300	D300-K302 VanDerWaalsContact C-N 3.33Å; D300-K302 PolarHBondContact O-N 3.47Å
303	E	34.6	Very low	45.6	Very low	188 Å²	188	139.4 Å²	139.4	88%	0.879	74%	0.736	S	S	*	*	S	Bend		-171.9	166.2	111.3	-104.3	176.4	165.9	0	0	113.3
304	D	30.2	Very low	43.3	Very low	156 Å²	156	144.3 Å²	144.3	83%	0.834	76%	0.759	S	S	*	*			trans	33.5	111.8	169.3	-80.6	3	0	0	0	122.8
305	S	40	Very low	41.5	Very low	111 Å²	111	145.4 Å²	145.4	78%	0.776	77%	0.766	S	S	*	*			trans	-89.6	106.7	149.8	-64.3	0	0	0	0	111.3
306	Q	34.4	Very low	40.5	Very low	188 Å²	188	147 Å²	147	88%	0.879	77%	0.766	S	S	*	*			trans	-165.9	159.5	146.6	-114.7	158.1	101.2	0	0	117.1
307	S	30.3	Very low	39.7	Very low	109 Å²	109	149.5 Å²	149.5	76%	0.762	77%	0.773	S	S	*	*			trans	67.9	93.5	166.5	62.2	0	0	0	0	121.2
308	R	31.5	Very low	39.7	Very low	239 Å²	239	149.6 Å²	149.6	90%	0.902	77%	0.77	S	S	*	*				33.7	108	123.1	-63.3	178.3	172.4	-179.9	-2.1	119.4
309	Q	27	Very low	40.3	Very low	201 Å²	201	144.9 Å²	144.9	94%	0.939	75%	0.751	S	S	*	*				-175.7	157.4	104.7	-96.7	168.3	1.2	0	0	106.8
310	G	33.3	Very low	41.9	Very low	80 Å²	80	141.3 Å²	141.3	83%	0.825	73%	0.733	S	S	*	*			cis	142.7	51.9	14.6	0	0	0	0	0	109.7
311	G	25	Very low	43.6	Very low	70 Å²	70	140.1 Å²	140.1	72%	0.722	72%	0.72	S	S	*	*			trans	-161	134.7	-176.3	0	0	0	0	0	112.8
312	Y	33.4	Very low	45.3	Very low	251 Å²	251	137.8 Å²	137.8	98%	0.984	71%	0.709	S	S	*	*			trans	-72.7	128.1	168.8	-86	-103	0	0	0	109
313	S	31.1	Very low	47	Very low	87 Å²	87	132.6 Å²	132.6	61%	0.608	69%	0.685	S	S	*	*			trans	-134.2	127.4	176.5	-167.2	0	0	0	0	110.8	H315	S313-H315 VanDerWaalsContact C-N 3.26Å; S313-H315 PolarHBondContact O-N 2.77Å; S313-H315 PolarHBondContact OG-CE1 2.86Å; S313-H315 PolarHBondContact OG-ND1 3.46Å
314	M	33	Very low	49.5	Very low	190 Å²	190	125.2 Å²	125.2	94%	0.936	66%	0.66	S	S	*	*			trans	-78.6	70.4	-177.8	-98.4	-66.9	-61.3	0	0	110.9
315	H	39.6	Very low	52.3	Low	141 Å²	141	118.8 Å²	118.8	65%	0.653	63%	0.627	S	S	*	*			trans	-105.8	123.3	178.9	-82.5	68.8	0	0	0	112.3	S313	S313-H315 VanDerWaalsContact C-N 3.26Å; S313-H315 PolarHBondContact O-N 2.77Å; S313-H315 PolarHBondContact OG-CE1 2.86Å; S313-H315 PolarHBondContact OG-ND1 3.46Å
316	Q	53.9	Low	54.8	Low	102 Å²	102	117.4 Å²	117.4	48%	0.477	61%	0.608	S	S	.	*	P	Polyproline II helix	trans	-57.3	142.7	162.8	-174.8	173.4	-72.8	0	0	108.8	Q318	Q316-Q318 PolarHBondContact O-N 3.37Å; Q316-Q318 VanDerWaalsContact O-N 3.16Å
317	L	56.6	Low	57.6	Low	119 Å²	119	110.7 Å²	110.7	62%	0.623	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-52.4	125.1	169.9	-70.8	169.7	0	0	0	108.5	P377 T412	L317-P377 HydrophobicContact CD1-CG 4.34Å; L317-T412 WeakPolarHBondContact O-CG2 3.36Å
318	Q	62.3	Low	60.6	Low	135 Å²	135	112.1 Å²	112.1	63%	0.631	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-87.5	137.9	170.1	-74	176.1	-30.4	0	0	108.6	Q316	Q316-Q318 PolarHBondContact O-N 3.37Å; Q316-Q318 VanDerWaalsContact O-N 3.16Å
319	G	68.6	Low	63.5	Low	12 Å²	12	101.8 Å²	101.8	12%	0.124	54%	0.536	C	S	.	.	P	Polyproline II helix	trans	-79.2	159	173.8	0	0	0	0	0	110.8	K321 N413	G319-K321 PolarHBondContact O-N 3.27Å; G319-N413 VanDerWaalsContact C-OD1 3.29Å; G319-N413 WeakPolarHBondContact CA-OD1 3.48Å; G319-N413 PolarHBondContact O-OD1 3.31Å
320	N	80.9	Confident	66.7	Low	65 Å²	65	97.3 Å²	97.3	35%	0.348	51%	0.511	S	S	.	.			trans	-70.5	115.8	168.1	177.7	-2.6	0	0	0	108.5	E322 Y323 S409 N413	N320-E322 PolarHBondContact ND2-OE2 3.39Å; N320-E322 PolarHBondContact O-N 3.01Å; N320-E322 WeakPolarHBondContact OD1-CB 3.35Å; N320-E322 VanDerWaalsContact OD1-CG 3.32Å; N320-E322 WeakPolarHBondContact OD1-CG 3Å; N320-E322 PolarHBondContact OD1-N 3.23Å; N320-E322 PolarHBondContact OD1-OE2 3.19Å; N320-Y323 HydrophobicContact CB-CD2 3.9Å; N320-Y323 HydrophobicContact CB-CE2 4.06Å; N320-Y323 PolarHBondContact O-N 3.28Å; N320-S409 PolarHBondContact N-OG 3.42Å; N320-N413 PolarHBondContact O-ND2 3.49Å
321	K	79.6	Confident	69.6	Low	132 Å²	132	93.5 Å²	93.5	57%	0.574	47%	0.472	S	S	*	.	G	3₁₀ helix	trans	-64.4	-20.3	-176.7	-61.1	-169.9	176.2	-168.7	0	113.2	G319 Y323 G324 E416	G319-K321 PolarHBondContact O-N 3.27Å; K321-Y323 PolarHBondContact O-N 2.84Å; K321-G324 PolarHBondContact O-N 2.79Å; K321-E416 IonicContact NZ-OE1 3.41Å; K321-E416 PolarHBondContact NZ-OE1 3.47Å; K321-E416 IonicContact NZ-OE2 3.67Å
322	E	78.4	Confident	72.8	Confident	127 Å²	127	92.5 Å²	92.5	59%	0.593	45%	0.45	S	S	*	.	G	3₁₀ helix	trans	-58.7	-26.5	175.1	-66.9	-178	113.7	0	0	114	N320 G324	N320-E322 PolarHBondContact ND2-OE2 3.39Å; N320-E322 PolarHBondContact O-N 3.01Å; N320-E322 WeakPolarHBondContact OD1-CB 3.35Å; N320-E322 VanDerWaalsContact OD1-CG 3.32Å; N320-E322 WeakPolarHBondContact OD1-CG 3Å; N320-E322 PolarHBondContact OD1-N 3.23Å; N320-E322 PolarHBondContact OD1-OE2 3.19Å; E322-G324 VanDerWaalsContact C-N 3.32Å
323	Y	83.8	Confident	75.6	Confident	82 Å²	82	81.4 Å²	81.4	32%	0.322	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-82.5	-6.4	178	-65.2	-81	0	0	0	113.8	N320 K321 V405 A406 V410	N320-Y323 HydrophobicContact CB-CD2 3.9Å; N320-Y323 HydrophobicContact CB-CE2 4.06Å; N320-Y323 PolarHBondContact O-N 3.28Å; K321-Y323 PolarHBondContact O-N 2.84Å; Y323-V405 HydrophobicContact CE2-CG1 3.86Å; Y323-A406 HydrophobicContact CD1-CB 3.52Å; Y323-A406 HydrophobicContact CE1-CB 3.6Å; Y323-A406 HydrophobicContact CG-CB 4.28Å; Y323-V410 WeakPolarHBondContact O-CG2 3.34Å
324	G	86.9	Confident	78.4	Confident	33 Å²	33	80.4 Å²	80.4	34%	0.34	39%	0.392	S	S	.	.			trans	68.1	-167.1	-177.1	0	0	0	0	0	114.1	K321 E322 N413	K321-G324 PolarHBondContact O-N 2.79Å; E322-G324 VanDerWaalsContact C-N 3.32Å; G324-N413 VanDerWaalsContact O-CB 3.24Å; G324-N413 WeakPolarHBondContact O-CB 3.03Å; G324-N413 PolarHBondContact O-ND2 2.86Å
325	S	88.4	Confident	80.8	Confident	21 Å²	21	72.6 Å²	72.6	15%	0.147	36%	0.356	C	S	.	.	S	Bend	trans	-113.9	0.4	-175	56.7	0	0	0	0	114.4	S414 E417	S325-S414 WeakPolarHBondContact O-CB 3.47Å; S325-S414 PolarHBondContact O-OG 3.46Å; S325-E417 WeakPolarHBondContact CB-OE2 3.22Å; S325-E417 VanDerWaalsContact OG-CD 3.28Å; S325-E417 PolarHBondContact OG-OE1 2.77Å; S325-E417 PolarHBondContact OG-OE2 2.86Å
326	E	92.1	Very high	82.2	Confident	82 Å²	82	70.2 Å²	70.2	38%	0.383	35%	0.348	S	S	.	.			trans	-122.4	138.7	173.5	-64.3	-158	-151.1	0	0	111.8	V349 K350	E326-V349 WeakPolarHBondContact CA-O 3.3Å; E326-K350 HydrophobicContact CG-CB 4.32Å; E326-K350 HydrophobicContact CG-CG 4.33Å; E326-K350 IonicContact OE1-NZ 3.45Å; E326-K350 PolarHBondContact OE1-NZ 2.79Å; E326-K350 WeakPolarHBondContact OE2-CD 3.4Å; E326-K350 WeakPolarHBondContact OE2-CG 3.37Å; E326-K350 IonicContact OE2-NZ 2.76Å
327	K	93.4	Very high	82.7	Confident	46 Å²	46	67.3 Å²	67.3	20%	0.2	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	134.9	171.9	-177.4	173.6	165.5	83.9	0	110.5	S348 V349 D403 A406 W407 V410	K327-S348 WeakPolarHBondContact O-CA 3.3Å; K327-V349 PolarHBondContact N-O 2.92Å; K327-V349 PolarHBondContact O-N 2.97Å; K327-D403 VanDerWaalsContact CE-OD1 3.25Å; K327-D403 WeakPolarHBondContact CE-OD1 3.2Å; K327-D403 IonicContact NZ-OD1 2.73Å; K327-D403 PolarHBondContact NZ-OD1 3.18Å; K327-A406 HydrophobicContact CD-CB 4.31Å; K327-W407 HydrophobicContact CB-CE3 4.46Å; K327-W407 HydrophobicContact CB-CZ3 4.15Å; K327-W407 HydrophobicContact CD-CD2 3.76Å; K327-W407 HydrophobicContact CD-CE3 3.85Å; K327-W407 HydrophobicContact CD-CG 4.2Å; K327-W407 HydrophobicContact CD-CH2 4.43Å; K327-W407 HydrophobicContact CD-CZ2 4.36Å; K327-W407 HydrophobicContact CD-CZ3 4.18Å; K327-W407 VanDerWaalsContact CE-NE1 3.33Å; K327-W407 HydrophobicContact CG-CD2 4.41Å; K327-W407 HydrophobicContact CG-CE3 4.19Å; K327-W407 HydrophobicContact CG-CH2 4.02Å; K327-W407 HydrophobicContact CG-CZ2 4.24Å; K327-W407 HydrophobicContact CG-CZ3 3.98Å; K327-V410 HydrophobicContact CB-CB 4.11Å; K327-V410 HydrophobicContact CB-CG1 3.69Å; K327-V410 HydrophobicContact CB-CG2 4Å; K327-V410 HydrophobicContact CD-CG2 4.22Å
328	K	94.1	Very high	83.1	Confident	140 Å²	140	70.4 Å²	70.4	61%	0.609	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.8	135.7	175.8	-57.1	-174.4	179.2	164.7	0	108.3	C347 S348	K328-C347 WeakPolarHBondContact CA-O 3.44Å; K328-S348 WeakPolarHBondContact CE-OG 3.33Å; K328-S348 WeakPolarHBondContact CG-OG 3.35Å
329	G	92.8	Very high	83.3	Confident	22 Å²	22	74.2 Å²	74.2	23%	0.227	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	175.9	-154.7	-176.6	0	0	0	0	0	112.3	K346 C347	G329-K346 WeakPolarHBondContact O-CA 3.05Å; G329-C347 PolarHBondContact N-O 2.96Å; G329-C347 PolarHBondContact O-N 2.84Å
330	Y	93.7	Very high	83.7	Confident	106 Å²	106	81 Å²	81	42%	0.416	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	141.4	178.2	-67.6	-81.3	0	0	0	111.1	R344 R345 K346	Y330-R344 HydrophobicContact CD1-CG 4.06Å; Y330-R344 HydrophobicContact CG-CG 4.19Å; Y330-R345 VanDerWaalsContact CA-O 3.3Å; Y330-R345 WeakPolarHBondContact CA-O 3.46Å; Y330-K346 HydrophobicContact CD1-CB 4.09Å; Y330-K346 HydrophobicContact CE1-CB 3.73Å; Y330-K346 HydrophobicContact CE1-CG 4.15Å
331	L	94.1	Very high	83.9	Confident	1 Å²	1	81.6 Å²	81.6	1%	0.005	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	142.9	169.8	-76.4	169.5	0	0	0	109	K333 R345 C347 F385 F396 A398 W407	L331-K333 PolarHBondContact O-N 3.48Å; L331-R345 PolarHBondContact N-O 3.32Å; L331-R345 PolarHBondContact O-N 2.68Å; L331-C347 HydrophobicContact CD1-CB 4.21Å; L331-F385 HydrophobicContact CD1-CZ 3.84Å; L331-F385 HydrophobicContact CD2-CE1 4.02Å; L331-F385 HydrophobicContact CD2-CZ 4.13Å; L331-F396 HydrophobicContact CB-CD1 3.75Å; L331-F396 HydrophobicContact CB-CE1 4.26Å; L331-F396 HydrophobicContact CD1-CB 4.49Å; L331-F396 HydrophobicContact CD1-CD1 4Å; L331-F396 HydrophobicContact CD1-CE1 4.34Å; L331-F396 HydrophobicContact CD1-CG 4.19Å; L331-F396 HydrophobicContact CG-CD1 4.47Å; L331-A398 HydrophobicContact CD2-CB 4.11Å; L331-W407 HydrophobicContact CD1-CD2 3.9Å; L331-W407 HydrophobicContact CD1-CE3 4.12Å; L331-W407 HydrophobicContact CD1-CG 4.34Å; L331-W407 HydrophobicContact CD1-CZ2 4.32Å; L331-W407 HydrophobicContact CD1-CZ3 4.44Å; L331-W407 HydrophobicContact CD2-CD2 4.15Å; L331-W407 HydrophobicContact CD2-CG 3.93Å; L331-W407 HydrophobicContact CG-CD2 4.09Å; L331-W407 HydrophobicContact CG-CG 4.41Å; L331-W407 HydrophobicContact CG-CZ2 4.04Å
332	L	92.7	Very high	84.4	Confident	48 Å²	48	79.1 Å²	79.1	25%	0.251	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	110.8	168.7	-66.9	100.1	0	0	0	108.7	W342 Q343 F396 Q397	L332-W342 HydrophobicContact CB-CB 4.3Å; L332-W342 HydrophobicContact CB-CE3 4.13Å; L332-W342 HydrophobicContact CD2-CB 4.01Å; L332-W342 VanDerWaalsContact O-CE3 3.32Å; L332-W342 VanDerWaalsContact O-CZ3 3.32Å; L332-W342 WeakPolarHBondContact O-CZ3 3.04Å; L332-Q343 CarbonylContact C-O 3.38Å; L332-Q343 WeakPolarHBondContact CA-O 3.49Å; L332-F396 CarbonylContact O-C 3.5Å; L332-F396 VanDerWaalsContact O-CA 3.3Å; L332-F396 WeakPolarHBondContact O-CA 3.41Å; L332-Q397 HydrophobicContact CB-CB 4.31Å; L332-Q397 PolarHBondContact N-O 2.85Å; L332-Q397 PolarHBondContact O-N 2.87Å
333	K	92.4	Very high	84.8	Confident	18 Å²	18	76.9 Å²	76.9	8%	0.078	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	132.4	170.4	-167.5	-160.2	174.1	-72.3	0	109.7	L331 D336 Q343 R345 Y394 H395 F396	L331-K333 PolarHBondContact O-N 3.48Å; K333-D336 IonicContact NZ-OD1 3.49Å; K333-D336 PolarHBondContact NZ-OD1 3.49Å; K333-D336 IonicContact NZ-OD2 2.71Å; K333-Q343 PolarHBondContact N-O 2.82Å; K333-Q343 PolarHBondContact O-N 3.15Å; K333-R345 HydrophobicContact CB-CG 4.05Å; K333-Y394 HydrophobicContact CD-CD1 4.14Å; K333-H395 WeakPolarHBondContact CA-O 3.37Å; K333-F396 HydrophobicContact CB-CD1 4Å; K333-F396 HydrophobicContact CB-CE1 3.83Å; K333-F396 HydrophobicContact CG-CD1 4.23Å; K333-F396 HydrophobicContact CG-CE1 3.92Å; K333-F396 HydrophobicContact CG-CZ 4.5Å
334	K	89.4	Confident	85.2	Confident	66 Å²	66	79.7 Å²	79.7	29%	0.287	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	135.1	170	-146.9	167.1	-166.9	159.3	0	110.6	K340 W342 H395	K334-K340 HydrophobicContact CG-CB 4.46Å; K334-W342 HydrophobicContact CB-CD2 4.22Å; K334-W342 HydrophobicContact CB-CE3 3.73Å; K334-W342 HydrophobicContact CB-CH2 4.21Å; K334-W342 HydrophobicContact CB-CZ3 3.72Å; K334-W342 HydrophobicContact CD-CH2 4.13Å; K334-W342 HydrophobicContact CD-CZ2 3.97Å; K334-W342 HydrophobicContact CD-CZ3 4.45Å; K334-W342 HydrophobicContact CG-CD2 4.13Å; K334-W342 HydrophobicContact CG-CE3 4.16Å; K334-W342 HydrophobicContact CG-CZ2 4.47Å; K334-W342 HydrophobicContact CG-CZ3 4.35Å; K334-W342 VanDerWaalsContact N-CE3 3.3Å; K334-H395 HydrophobicContact CB-CB 3.77Å; K334-H395 HydrophobicContact CD-CB 4.2Å; K334-H395 PolarHBondContact N-O 2.89Å
335	S	82.6	Confident	85.4	Confident	26 Å²	26	80.1 Å²	80.1	18%	0.182	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-74.2	144.7	175.2	66.2	0	0	0	0	112	G337 R339 V341	S335-G337 VanDerWaalsContact C-N 3.26Å; S335-G337 PolarHBondContact O-N 3Å; S335-R339 PolarHBondContact OG-O 3.25Å; S335-V341 PolarHBondContact N-O 2.69Å; S335-V341 PolarHBondContact OG-N 2.8Å; S335-V341 PolarHBondContact OG-O 3.49Å
336	D	69.2	Low	85.6	Confident	92 Å²	92	84.7 Å²	84.7	49%	0.492	40%	0.396	S	S	.	.			trans	-84.5	1	179.9	-46.2	56.8	0	0	0	112.5	K333 R392	K333-D336 IonicContact NZ-OD1 3.49Å; K333-D336 PolarHBondContact NZ-OD1 3.49Å; K333-D336 IonicContact NZ-OD2 2.71Å; D336-R392 IonicContact OD1-NH2 3.69Å; D336-R392 PolarHBondContact OD1-NH2 3.4Å; D336-R392 IonicContact OD2-CZ 2.72Å; D336-R392 VanDerWaalsContact OD2-CZ 3.24Å; D336-R392 IonicContact OD2-NE 2.61Å; D336-R392 PolarHBondContact OD2-NE 3.03Å; D336-R392 IonicContact OD2-NH2 2.81Å; D336-R392 PolarHBondContact OD2-NH2 3.1Å
337	G	63.9	Low	85.7	Confident	40 Å²	40	80.9 Å²	80.9	41%	0.412	38%	0.378	S	S	.	.	S	Bend	trans	-83.9	173.6	-176.7	0	0	0	0	0	114.2	S335 R339	S335-G337 VanDerWaalsContact C-N 3.26Å; S335-G337 PolarHBondContact O-N 3Å; G337-R339 CarbonylContact O-C 3.52Å; G337-R339 PolarHBondContact O-N 3.05Å; G337-R339 VanDerWaalsContact O-N 3.11Å
338	I	65.7	Low	85.7	Confident	184 Å²	184	80 Å²	80	94%	0.944	38%	0.378	S	S	*	.	S	Bend	trans	-51.8	-37.8	-178.2	-58.2	172.4	0	0	0	111.9
339	R	65.8	Low	85.7	Confident	215 Å²	215	73.3 Å²	73.3	81%	0.811	35%	0.349	S	S	*	.	S	Bend	trans	-96.6	103.2	166.8	-60.8	-176.9	-175.3	-178.5	2.1	108.6	S335 G337 V341	S335-R339 PolarHBondContact OG-O 3.25Å; G337-R339 CarbonylContact O-C 3.52Å; G337-R339 PolarHBondContact O-N 3.05Å; G337-R339 VanDerWaalsContact O-N 3.11Å; R339-V341 HydrophobicContact CB-CG2 4.09Å; R339-V341 PolarHBondContact O-N 2.71Å
340	K	78.3	Confident	85.6	Confident	155 Å²	155	76.5 Å²	76.5	67%	0.674	36%	0.356	S	S	*	.			trans	-76.3	78.1	179.9	-63.8	-173.9	179.9	-174.6	0	111.5	K334	K334-K340 HydrophobicContact CG-CB 4.46Å
341	V	84.6	Confident	85.1	Confident	78 Å²	78	76.1 Å²	76.1	47%	0.473	36%	0.362	S	S	.	.			trans	-99.4	140	-174.1	178.4	0	0	0	0	110.5	S335 R339	S335-V341 PolarHBondContact N-O 2.69Å; S335-V341 PolarHBondContact OG-N 2.8Å; S335-V341 PolarHBondContact OG-O 3.49Å; R339-V341 HydrophobicContact CB-CG2 4.09Å; R339-V341 PolarHBondContact O-N 2.71Å
342	W	89.4	Confident	84.7	Confident	80 Å²	80	76.2 Å²	76.2	30%	0.303	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	132.6	172.1	-67.4	114.1	0	0	0	111	L332 K334 H395 Q397	L332-W342 HydrophobicContact CB-CB 4.3Å; L332-W342 HydrophobicContact CB-CE3 4.13Å; L332-W342 HydrophobicContact CD2-CB 4.01Å; L332-W342 VanDerWaalsContact O-CE3 3.32Å; L332-W342 VanDerWaalsContact O-CZ3 3.32Å; L332-W342 WeakPolarHBondContact O-CZ3 3.04Å; K334-W342 HydrophobicContact CB-CD2 4.22Å; K334-W342 HydrophobicContact CB-CE3 3.73Å; K334-W342 HydrophobicContact CB-CH2 4.21Å; K334-W342 HydrophobicContact CB-CZ3 3.72Å; K334-W342 HydrophobicContact CD-CH2 4.13Å; K334-W342 HydrophobicContact CD-CZ2 3.97Å; K334-W342 HydrophobicContact CD-CZ3 4.45Å; K334-W342 HydrophobicContact CG-CD2 4.13Å; K334-W342 HydrophobicContact CG-CE3 4.16Å; K334-W342 HydrophobicContact CG-CZ2 4.47Å; K334-W342 HydrophobicContact CG-CZ3 4.35Å; K334-W342 VanDerWaalsContact N-CE3 3.3Å; W342-H395 HydrophobicContact CH2-CB 4.29Å; W342-H395 HydrophobicContact CZ3-CB 4.39Å; W342-Q397 HydrophobicContact CE3-CB 4.26Å; W342-Q397 HydrophobicContact CH2-CB 3.92Å; W342-Q397 HydrophobicContact CZ2-CB 4.34Å; W342-Q397 HydrophobicContact CZ3-CB 3.88Å
343	Q	88.1	Confident	84.6	Confident	79 Å²	79	77 Å²	77	37%	0.369	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	122	-178.4	-63.8	-176.4	-19.5	0	0	110.1	L332 K333 R345	L332-Q343 CarbonylContact C-O 3.38Å; L332-Q343 WeakPolarHBondContact CA-O 3.49Å; K333-Q343 PolarHBondContact N-O 2.82Å; K333-Q343 PolarHBondContact O-N 3.15Å; Q343-R345 PolarHBondContact O-N 2.8Å
344	R	91.8	Very high	84.7	Confident	142 Å²	142	76.2 Å²	76.2	54%	0.536	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	118.6	177.2	-160.6	-179.3	-158.3	-163.1	10.1	109.7	Y330 E399	Y330-R344 HydrophobicContact CD1-CG 4.06Å; Y330-R344 HydrophobicContact CG-CG 4.19Å; R344-E399 IonicContact CZ-OE2 2.71Å; R344-E399 IonicContact NE-OE2 2.75Å; R344-E399 VanDerWaalsContact NH2-CD 3.33Å; R344-E399 IonicContact NH2-OE1 3.05Å; R344-E399 PolarHBondContact NH2-OE1 2.96Å; R344-E399 VanDerWaalsContact NH2-OE1 3.15Å; R344-E399 IonicContact NH2-OE2 3.57Å; R344-E399 PolarHBondContact NH2-OE2 3.48Å
345	R	91.3	Very high	84.8	Confident	41 Å²	41	75 Å²	75	16%	0.155	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	141.3	178.1	-59.5	-49.3	-174.9	104.5	-7.2	110	Y330 L331 K333 Q343 I356 S357	Y330-R345 VanDerWaalsContact CA-O 3.3Å; Y330-R345 WeakPolarHBondContact CA-O 3.46Å; L331-R345 PolarHBondContact N-O 3.32Å; L331-R345 PolarHBondContact O-N 2.68Å; K333-R345 HydrophobicContact CB-CG 4.05Å; Q343-R345 PolarHBondContact O-N 2.8Å; R345-I356 HydrophobicContact CB-CG2 4.15Å; R345-I356 HydrophobicContact CG-CG2 4.45Å; R345-S357 PolarHBondContact NH1-O 2.61Å
346	K	92.4	Very high	85.3	Confident	118 Å²	118	74 Å²	74	51%	0.513	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	128.2	168.8	-167.2	173.4	-176.4	174.9	0	108.3	G329 Y330 S357	G329-K346 WeakPolarHBondContact O-CA 3.05Å; Y330-K346 HydrophobicContact CD1-CB 4.09Å; Y330-K346 HydrophobicContact CE1-CB 3.73Å; Y330-K346 HydrophobicContact CE1-CG 4.15Å; K346-S357 PolarHBondContact O-N 3.48Å
347	C	94.5	Very high	86.2	Confident	1 Å²	1	71.5 Å²	71.5	1%	0.007	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	143.6	-178.9	-70.5	0	0	0	0	109.6	K328 G329 L331 L354 T355 W407	K328-C347 WeakPolarHBondContact CA-O 3.44Å; G329-C347 PolarHBondContact N-O 2.96Å; G329-C347 PolarHBondContact O-N 2.84Å; L331-C347 HydrophobicContact CD1-CB 4.21Å; C347-L354 HydrophobicContact CB-CD1 4.16Å; C347-T355 VanDerWaalsContact CA-O 3.3Å; C347-T355 WeakPolarHBondContact CA-O 3.31Å; C347-W407 HydrophobicContact CB-CH2 3.81Å; C347-W407 HydrophobicContact CB-CZ2 4.42Å; C347-W407 HydrophobicContact CB-CZ3 4.31Å
348	S	93.9	Very high	86.9	Confident	27 Å²	27	72.7 Å²	72.7	19%	0.189	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	115.6	178.8	166.7	0	0	0	0	110.2	K327 K328 T355	K327-S348 WeakPolarHBondContact O-CA 3.3Å; K328-S348 WeakPolarHBondContact CE-OG 3.33Å; K328-S348 WeakPolarHBondContact CG-OG 3.35Å; S348-T355 WeakPolarHBondContact CB-OG1 3.39Å; S348-T355 PolarHBondContact N-O 3.3Å; S348-T355 PolarHBondContact O-N 2.87Å; S348-T355 PolarHBondContact O-OG1 3.18Å
349	V	93.8	Very high	87	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	125.6	169.4	178.6	0	0	0	0	108.7	E326 K327 I353 L354 L370 W407 V410 L411 S414	E326-V349 WeakPolarHBondContact CA-O 3.3Å; K327-V349 PolarHBondContact N-O 2.92Å; K327-V349 PolarHBondContact O-N 2.97Å; V349-I353 WeakPolarHBondContact CA-O 3.3Å; V349-L354 HydrophobicContact CG2-CB 4.23Å; V349-L354 HydrophobicContact CG2-CD1 3.65Å; V349-L370 HydrophobicContact CG1-CD1 3.78Å; V349-W407 HydrophobicContact CG2-CZ3 4.17Å; V349-V410 HydrophobicContact CB-CG1 4.09Å; V349-V410 HydrophobicContact CG1-CG1 3.99Å; V349-L411 HydrophobicContact CG2-CD2 3.55Å; V349-L411 HydrophobicContact CG2-CG 4.31Å; V349-S414 VanDerWaalsContact CG1-CB 3.5Å; V349-S414 VanDerWaalsContact CG1-OG 3.31Å; V349-S414 WeakPolarHBondContact CG1-OG 3.23Å
350	K	90.2	Very high	86.9	Confident	89 Å²	89	62 Å²	62	39%	0.387	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	142.4	171.7	174.5	165.1	-177.5	53.5	0	110.3	E326 G352 I353	E326-K350 HydrophobicContact CG-CB 4.32Å; E326-K350 HydrophobicContact CG-CG 4.33Å; E326-K350 IonicContact OE1-NZ 3.45Å; E326-K350 PolarHBondContact OE1-NZ 2.79Å; E326-K350 WeakPolarHBondContact OE2-CD 3.4Å; E326-K350 WeakPolarHBondContact OE2-CG 3.37Å; E326-K350 IonicContact OE2-NZ 2.76Å; K350-G352 VanDerWaalsContact C-N 3.31Å; K350-G352 PolarHBondContact O-N 2.79Å; K350-I353 PolarHBondContact N-O 3.03Å; K350-I353 PolarHBondContact O-N 3.22Å
351	N	83.1	Confident	86.2	Confident	99 Å²	99	60.4 Å²	60.4	53%	0.529	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.5	48.3	176.1	-61.1	27.6	0	0	0	113	I353	N351-I353 PolarHBondContact O-N 2.83Å; N351-I353 VanDerWaalsContact O-N 3.17Å
352	G	85.8	Confident	84.7	Confident	2 Å²	2	64.8 Å²	64.8	2%	0.021	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.8	4.1	-178.7	0	0	0	0	0	116.2	K350 L370 S414	K350-G352 VanDerWaalsContact C-N 3.31Å; K350-G352 PolarHBondContact O-N 2.79Å; G352-L370 VanDerWaalsContact O-CB 3.26Å; G352-L370 WeakPolarHBondContact O-CB 3.16Å; G352-L370 WeakPolarHBondContact O-CG 3.36Å; G352-L370 PolarHBondContact O-N 2.96Å; G352-S414 PolarHBondContact N-OG 3.1Å
353	I	91.3	Very high	83.9	Confident	66 Å²	66	68.5 Å²	68.5	34%	0.338	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	124.4	-179.9	-60.3	177.6	0	0	0	110.3	V349 K350 N351 T355 K367 L368	V349-I353 WeakPolarHBondContact CA-O 3.3Å; K350-I353 PolarHBondContact N-O 3.03Å; K350-I353 PolarHBondContact O-N 3.22Å; N351-I353 PolarHBondContact O-N 2.83Å; N351-I353 VanDerWaalsContact O-N 3.17Å; I353-T355 HydrophobicContact CG2-CG2 3.97Å; I353-K367 HydrophobicContact CG2-CB 4.07Å; I353-L368 WeakPolarHBondContact CA-O 3.2Å
354	L	92.9	Very high	83.2	Confident	1 Å²	1	72 Å²	72	1%	0.005	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	128.3	163	171.7	65.8	0	0	0	109.5	C347 V349 I356 K367 L368 L370 L387 F396 L411	C347-L354 HydrophobicContact CB-CD1 4.16Å; V349-L354 HydrophobicContact CG2-CB 4.23Å; V349-L354 HydrophobicContact CG2-CD1 3.65Å; L354-I356 HydrophobicContact CD1-CG1 4.49Å; L354-I356 HydrophobicContact CD2-CD1 4.18Å; L354-I356 HydrophobicContact CD2-CG1 4.16Å; L354-I356 HydrophobicContact CG-CD1 4.48Å; L354-I356 HydrophobicContact CG-CG1 4.05Å; L354-K367 CarbonylContact O-C 3.52Å; L354-L368 HydrophobicContact CD2-CD1 4.48Å; L354-L368 PolarHBondContact N-O 3.17Å; L354-L368 PolarHBondContact O-N 3.32Å; L354-L370 HydrophobicContact CB-CD2 3.9Å; L354-L370 HydrophobicContact CB-CG 4.34Å; L354-L387 HydrophobicContact CD2-CD2 3.44Å; L354-L387 VanDerWaalsContact CD2-CD2 3.44Å; L354-F396 HydrophobicContact CD2-CE2 4.39Å; L354-F396 HydrophobicContact CD2-CZ 4.48Å; L354-L411 HydrophobicContact CB-CD2 4.34Å; L354-L411 HydrophobicContact CD1-CD2 4.46Å; L354-L411 HydrophobicContact CD2-CD2 4.11Å
355	T	93	Very high	82.8	Confident	39 Å²	39	67.8 Å²	67.8	24%	0.239	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	138.9	171.9	62.1	0	0	0	0	110.6	C347 S348 I353 A366 K367	C347-T355 VanDerWaalsContact CA-O 3.3Å; C347-T355 WeakPolarHBondContact CA-O 3.31Å; S348-T355 WeakPolarHBondContact CB-OG1 3.39Å; S348-T355 PolarHBondContact N-O 3.3Å; S348-T355 PolarHBondContact O-N 2.87Å; S348-T355 PolarHBondContact O-OG1 3.18Å; I353-T355 HydrophobicContact CG2-CG2 3.97Å; T355-A366 CarbonylContact C-O 3.59Å; T355-A366 WeakPolarHBondContact CA-O 3.37Å; T355-K367 HydrophobicContact CG2-CG 4.05Å
356	I	92.6	Very high	82.5	Confident	6 Å²	6	67.2 Å²	67.2	3%	0.031	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	115.9	-174.6	-52.5	157.6	0	0	0	109.2	R345 L354 P365 A366 L368 Y394 F396	R345-I356 HydrophobicContact CB-CG2 4.15Å; R345-I356 HydrophobicContact CG-CG2 4.45Å; L354-I356 HydrophobicContact CD1-CG1 4.49Å; L354-I356 HydrophobicContact CD2-CD1 4.18Å; L354-I356 HydrophobicContact CD2-CG1 4.16Å; L354-I356 HydrophobicContact CG-CD1 4.48Å; L354-I356 HydrophobicContact CG-CG1 4.05Å; I356-P365 CarbonylContact O-C 3.57Å; I356-P365 WeakPolarHBondContact O-CA 3.17Å; I356-A366 PolarHBondContact N-O 3.23Å; I356-A366 PolarHBondContact O-N 2.95Å; I356-L368 HydrophobicContact CD1-CD1 3.7Å; I356-L368 HydrophobicContact CD1-CG 4.39Å; I356-Y394 HydrophobicContact CD1-CD1 3.77Å; I356-Y394 HydrophobicContact CD1-CE1 3.77Å; I356-F396 HydrophobicContact CD1-CZ 3.76Å; I356-F396 HydrophobicContact CG1-CZ 4.18Å
357	S	87.5	Confident	82.4	Confident	39 Å²	39	68.5 Å²	68.5	27%	0.273	37%	0.374	S	S	.	.			trans	-69	141.7	-178.4	-63.8	0	0	0	0	113.3	R345 K346	R345-S357 PolarHBondContact NH1-O 2.61Å; K346-S357 PolarHBondContact O-N 3.48Å
358	H	80.2	Confident	82.1	Confident	65 Å²	65	69.2 Å²	69.2	30%	0.301	38%	0.378	S	S	.	.			trans	-71.4	164.1	165.5	-77.9	-88.5	0	0	0	111.2	T360 R363 Q364	H358-T360 VanDerWaalsContact C-N 3.3Å; H358-R363 HydrophobicContact CB-CB 3.93Å; H358-R363 HydrophobicContact CB-CG 4.2Å; H358-R363 PolarHBondContact CE1-NE 2.9Å; H358-Q364 PolarHBondContact CD2-O 3.29Å
359	A	67.1	Low	81.8	Confident	82 Å²	82	71.1 Å²	71.1	68%	0.678	39%	0.386	S	S	*	.	S	Bend	trans	-82	-12.9	178.9	0	0	0	0	0	112.7
360	T	64.4	Low	81.6	Confident	93 Å²	93	71.2 Å²	71.2	57%	0.571	39%	0.386	S	S	*	.	S	Bend	trans	-109.4	125.5	171.5	47.7	0	0	0	0	108.4	H358 N362 R363	H358-T360 VanDerWaalsContact C-N 3.3Å; T360-N362 PolarHBondContact O-N 2.66Å; T360-R363 PolarHBondContact O-N 3.19Å
361	S	61.6	Low	81.3	Confident	122 Å²	122	69.8 Å²	69.8	85%	0.853	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-33.1	-172.5	-49.6	0	0	0	0	113.3	R363	S361-R363 PolarHBondContact O-N 2.95Å; S361-R363 VanDerWaalsContact O-N 3.09Å
362	N	55.1	Low	81.2	Confident	170 Å²	170	68.9 Å²	68.9	91%	0.909	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	9	-174.5	-58.4	14.1	0	0	0	114	T360	T360-N362 PolarHBondContact O-N 2.66Å
363	R	72.3	Confident	81.3	Confident	158 Å²	158	69 Å²	69	60%	0.596	38%	0.382	S	S	*	.	S	Bend	trans	-117.1	114.6	179.4	-174	169.8	179.2	152.9	6.8	111.6	H358 T360 S361	H358-R363 HydrophobicContact CB-CB 3.93Å; H358-R363 HydrophobicContact CB-CG 4.2Å; H358-R363 PolarHBondContact CE1-NE 2.9Å; T360-R363 PolarHBondContact O-N 3.19Å; S361-R363 PolarHBondContact O-N 2.95Å; S361-R363 VanDerWaalsContact O-N 3.09Å
364	Q	71.8	Confident	81.1	Confident	153 Å²	153	71.9 Å²	71.9	72%	0.715	39%	0.393	S	S	*	.			trans	-35.3	123.9	173	-80.3	-76	-6.7	0	0	112.3	H358	H358-Q364 PolarHBondContact CD2-O 3.29Å
365	P	83.8	Confident	81	Confident	52 Å²	52	73 Å²	73	34%	0.338	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-55.4	140.8	177.5	-27.2	35.6	0	0	0	112.7	I356 K367	I356-P365 CarbonylContact O-C 3.57Å; I356-P365 WeakPolarHBondContact O-CA 3.17Å; P365-K367 PolarHBondContact O-N 2.78Å
366	A	86.3	Confident	80.8	Confident	30 Å²	30	76.9 Å²	76.9	25%	0.248	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	119.9	174.4	0	0	0	0	0	109.4	T355 I356	T355-A366 CarbonylContact C-O 3.59Å; T355-A366 WeakPolarHBondContact CA-O 3.37Å; I356-A366 PolarHBondContact N-O 3.23Å; I356-A366 PolarHBondContact O-N 2.95Å
367	K	89.9	Confident	80.5	Confident	144 Å²	144	78.8 Å²	78.8	63%	0.626	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.7	133.9	176.1	-52.8	-168.4	179.6	-178.9	0	109.7	I353 L354 T355 P365	I353-K367 HydrophobicContact CG2-CB 4.07Å; L354-K367 CarbonylContact O-C 3.52Å; T355-K367 HydrophobicContact CG2-CG 4.05Å; P365-K367 PolarHBondContact O-N 2.78Å
368	L	88.2	Confident	80.3	Confident	16 Å²	16	80 Å²	80	8%	0.084	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	121.3	177	-63.3	177.7	0	0	0	108.8	I353 L354 I356 L370 L387 Y394	I353-L368 WeakPolarHBondContact CA-O 3.2Å; L354-L368 HydrophobicContact CD2-CD1 4.48Å; L354-L368 PolarHBondContact N-O 3.17Å; L354-L368 PolarHBondContact O-N 3.32Å; I356-L368 HydrophobicContact CD1-CD1 3.7Å; I356-L368 HydrophobicContact CD1-CG 4.39Å; L368-L370 PolarHBondContact O-N 3.34Å; L368-L387 HydrophobicContact CD1-CD2 3.84Å; L368-Y394 HydrophobicContact CD1-CD1 4.3Å; L368-Y394 HydrophobicContact CD1-CD2 4.05Å; L368-Y394 HydrophobicContact CD1-CE1 4.11Å; L368-Y394 HydrophobicContact CD1-CE2 3.85Å; L368-Y394 HydrophobicContact CD1-CG 4.31Å; L368-Y394 HydrophobicContact CD2-CE2 4.13Å
369	N	87.9	Confident	80	Confident	67 Å²	67	81.9 Å²	81.9	36%	0.358	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	121.6	172.2	-176.8	-19.1	0	0	0	108.9	L371 T372 C373	N369-L371 VanDerWaalsContact C-N 3.27Å; N369-L371 PolarHBondContact O-N 2.75Å; N369-L371 WeakPolarHBondContact OD1-CB 3.15Å; N369-L371 VanDerWaalsContact OD1-CG 3.28Å; N369-L371 WeakPolarHBondContact OD1-CG 3.29Å; N369-L371 PolarHBondContact OD1-N 3.31Å; N369-T372 HydrophobicContact CB-CG2 4.47Å; N369-T372 PolarHBondContact O-N 3.27Å; N369-T372 PolarHBondContact O-OG1 3.12Å; N369-C373 PolarHBondContact O-SG 3.04Å
370	L	88.9	Confident	80.4	Confident	2 Å²	2	86.8 Å²	86.8	1%	0.01	47%	0.465	C	S	.	.	G	3₁₀ helix	trans	-70.8	-22.9	-176.6	-64.8	174	0	0	0	112.7	V349 G352 L354 L368 T372 C373 L387 L411 K415	V349-L370 HydrophobicContact CG1-CD1 3.78Å; G352-L370 VanDerWaalsContact O-CB 3.26Å; G352-L370 WeakPolarHBondContact O-CB 3.16Å; G352-L370 WeakPolarHBondContact O-CG 3.36Å; G352-L370 PolarHBondContact O-N 2.96Å; L354-L370 HydrophobicContact CB-CD2 3.9Å; L354-L370 HydrophobicContact CB-CG 4.34Å; L368-L370 PolarHBondContact O-N 3.34Å; L370-T372 PolarHBondContact O-N 2.63Å; L370-C373 PolarHBondContact O-N 2.87Å; L370-C373 VanDerWaalsContact O-N 3.12Å; L370-L387 HydrophobicContact CD2-CD1 4.38Å; L370-L387 HydrophobicContact CD2-CD2 4.49Å; L370-L411 HydrophobicContact CD1-CD2 4.09Å; L370-L411 HydrophobicContact CD2-CD2 3.7Å; L370-K415 HydrophobicContact CB-CB 4.21Å; L370-K415 WeakPolarHBondContact O-CD 3.38Å; L370-K415 VanDerWaalsContact O-CE 3.26Å; L370-K415 WeakPolarHBondContact O-CE 3.48Å
371	L	83.9	Confident	81.2	Confident	60 Å²	60	84.8 Å²	84.8	31%	0.314	45%	0.452	S	S	.	.	G	3₁₀ helix	trans	-54.4	-44.7	169.6	-59.1	178.4	0	0	0	110.7	N369 C373 K415 A418 L419	N369-L371 VanDerWaalsContact C-N 3.27Å; N369-L371 PolarHBondContact O-N 2.75Å; N369-L371 WeakPolarHBondContact OD1-CB 3.15Å; N369-L371 VanDerWaalsContact OD1-CG 3.28Å; N369-L371 WeakPolarHBondContact OD1-CG 3.29Å; N369-L371 PolarHBondContact OD1-N 3.31Å; L371-C373 VanDerWaalsContact C-N 3.31Å; L371-C373 PolarHBondContact O-N 3.05Å; L371-K415 HydrophobicContact CD2-CG 4.41Å; L371-K415 VanDerWaalsContact O-CE 3.31Å; L371-K415 WeakPolarHBondContact O-CE 3.07Å; L371-K415 PolarHBondContact O-NZ 2.96Å; L371-K415 VanDerWaalsContact O-NZ 3.14Å; L371-A418 HydrophobicContact CD2-CB 3.79Å; L371-A418 HydrophobicContact CG-CB 4.2Å; L371-L419 HydrophobicContact CD2-CB 4.42Å; L371-L419 HydrophobicContact CD2-CD2 3.85Å; L371-L419 HydrophobicContact CD2-CG 3.64Å
372	T	80.9	Confident	81.9	Confident	80 Å²	80	84.9 Å²	84.9	49%	0.491	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-86.2	5.8	-178.8	71.4	0	0	0	0	114.2	N369 L370	N369-T372 HydrophobicContact CB-CG2 4.47Å; N369-T372 PolarHBondContact O-N 3.27Å; N369-T372 PolarHBondContact O-OG1 3.12Å; L370-T372 PolarHBondContact O-N 2.63Å
373	C	87.3	Confident	83.4	Confident	5 Å²	5	80.6 Å²	80.6	3%	0.034	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	151.5	-179.4	-61.2	0	0	0	0	112.6	N369 L370 L371 L387 I388 K415	N369-C373 PolarHBondContact O-SG 3.04Å; L370-C373 PolarHBondContact O-N 2.87Å; L370-C373 VanDerWaalsContact O-N 3.12Å; L371-C373 VanDerWaalsContact C-N 3.31Å; L371-C373 PolarHBondContact O-N 3.05Å; C373-L387 HydrophobicContact CB-CD1 3.78Å; C373-L387 HydrophobicContact CB-CG 4.14Å; C373-I388 CarbonylContact C-O 3.43Å; C373-I388 VanDerWaalsContact CA-O 3.23Å; C373-I388 WeakPolarHBondContact CA-O 3.37Å; C373-K415 PolarHBondContact O-NZ 2.9Å
374	Q	87.3	Confident	84.3	Confident	125 Å²	125	73.6 Å²	73.6	58%	0.584	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.5	122.1	169.6	-173.4	179.1	31	0	0	109.4	I388	Q374-I388 HydrophobicContact CB-CB 4.38Å; Q374-I388 PolarHBondContact N-O 3.16Å; Q374-I388 PolarHBondContact O-N 3.03Å
375	V	90.1	Very high	85.3	Confident	26 Å²	26	66.3 Å²	66.3	16%	0.158	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	126.4	169.7	-173.4	0	0	0	0	108	L387 I408 L411	V375-L387 HydrophobicContact CG2-CD1 3.82Å; V375-I408 HydrophobicContact CG1-CD1 3.52Å; V375-L411 HydrophobicContact CG2-CB 3.77Å
376	K	89.2	Confident	85.7	Confident	119 Å²	119	66.1 Å²	66.1	52%	0.517	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	102.4	177	-175	178.7	178.4	-177.2	0	110.5	D386 I388	K376-D386 HydrophobicContact CB-CB 4.3Å; K376-D386 PolarHBondContact N-O 3.28Å; K376-D386 PolarHBondContact O-N 3.33Å; K376-I388 HydrophobicContact CB-CD1 4.39Å; K376-I388 HydrophobicContact CD-CD1 4.28Å
377	P	86.4	Confident	86	Confident	47 Å²	47	64.7 Å²	64.7	31%	0.305	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-46.8	140.5	164.1	-32.9	39.9	0	0	0	112.8	L317 Y404	L317-P377 HydrophobicContact CD1-CG 4.34Å; P377-Y404 WeakPolarHBondContact CA-OH 3.25Å; P377-Y404 WeakPolarHBondContact CB-OH 3.48Å
378	N	82.9	Confident	86	Confident	65 Å²	65	60.4 Å²	60.4	35%	0.348	32%	0.318	S	S	.	.			trans	-80.9	136.4	163.8	-171.8	-2.8	0	0	0	109.2	E380 S384	N378-E380 PolarHBondContact OD1-N 2.82Å; N378-E380 VanDerWaalsContact OD1-N 3.09Å; N378-S384 WeakPolarHBondContact CB-O 3.3Å; N378-S384 PolarHBondContact N-O 2.98Å
379	A	75.1	Confident	85.8	Confident	103 Å²	103	60 Å²	60	85%	0.851	32%	0.317	S	S	*	.	S	Bend	trans	-81.5	-20.2	179.2	0	0	0	0	0	113.2
380	E	74.2	Confident	85	Confident	185 Å²	185	64 Å²	64	86%	0.864	33%	0.333	S	S	*	.	S	Bend	trans	-104.4	-33.6	-173.6	-63.9	175.5	-178.4	0	0	113.3	N378	N378-E380 PolarHBondContact OD1-N 2.82Å; N378-E380 VanDerWaalsContact OD1-N 3.09Å
381	D	81.4	Confident	84.4	Confident	52 Å²	52	69.8 Å²	69.8	28%	0.278	36%	0.364	S	S	.	.			trans	-120.1	103.7	176.1	171.9	17.8	0	0	0	110.3	K383 S384 Q397	D381-K383 PolarHBondContact O-N 2.89Å; D381-K383 WeakPolarHBondContact OD1-CB 3.25Å; D381-K383 PolarHBondContact OD1-N 2.91Å; D381-S384 PolarHBondContact O-N 3.35Å; D381-S384 VanDerWaalsContact OD2-CB 3.25Å; D381-S384 WeakPolarHBondContact OD2-CB 3.25Å; D381-S384 PolarHBondContact OD2-OG 2.77Å; D381-Q397 PolarHBondContact OD2-NE2 2.9Å
382	K	76.2	Confident	84.4	Confident	124 Å²	124	71.8 Å²	71.8	54%	0.539	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	3.5	177.4	-64.6	-168.2	-178.7	178.7	0	115.3	E401 Y404	K382-E401 HydrophobicContact CB-CG 4.33Å; K382-E401 VanDerWaalsContact CD-CD 3.43Å; K382-E401 HydrophobicContact CD-CG 4.25Å; K382-E401 WeakPolarHBondContact CD-OE1 3.46Å; K382-E401 WeakPolarHBondContact CE-OE1 2.99Å; K382-E401 IonicContact NZ-OE1 2.64Å; K382-E401 PolarHBondContact NZ-OE1 2.77Å; K382-E401 IonicContact NZ-OE2 3.83Å; K382-Y404 WeakPolarHBondContact O-CB 3.45Å; K382-Y404 WeakPolarHBondContact O-CD1 3.45Å; K382-Y404 WeakPolarHBondContact O-CD2 3.25Å; K382-Y404 WeakPolarHBondContact O-CE1 3.41Å
383	K	87.3	Confident	84.8	Confident	80 Å²	80	70.4 Å²	70.4	35%	0.348	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-12.7	168.5	-60.9	-166.8	179.8	-161.9	0	113.2	D381 Q397 A398 E399	D381-K383 PolarHBondContact O-N 2.89Å; D381-K383 WeakPolarHBondContact OD1-CB 3.25Å; D381-K383 PolarHBondContact OD1-N 2.91Å; K383-Q397 HydrophobicContact CB-CG 3.99Å; K383-Q397 CarbonylContact O-C 3.53Å; K383-Q397 VanDerWaalsContact O-CA 3.32Å; K383-Q397 WeakPolarHBondContact O-CA 3.24Å; K383-A398 PolarHBondContact O-N 2.63Å; K383-E399 PolarHBondContact NZ-O 2.78Å
384	S	91	Very high	85	Confident	10 Å²	10	71.1 Å²	71.1	7%	0.07	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	144.2	-173.3	-70	0	0	0	0	113.4	N378 D381 F396 Q397 Y404	N378-S384 WeakPolarHBondContact CB-O 3.3Å; N378-S384 PolarHBondContact N-O 2.98Å; D381-S384 PolarHBondContact O-N 3.35Å; D381-S384 VanDerWaalsContact OD2-CB 3.25Å; D381-S384 WeakPolarHBondContact OD2-CB 3.25Å; D381-S384 PolarHBondContact OD2-OG 2.77Å; S384-F396 CarbonylContact C-O 3.58Å; S384-F396 VanDerWaalsContact CA-O 3.3Å; S384-F396 WeakPolarHBondContact CA-O 3.34Å; S384-Q397 PolarHBondContact OG-NE2 3.48Å; S384-Y404 WeakPolarHBondContact O-CE2 3.26Å
385	F	93.5	Very high	85.3	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	155.4	172.2	62	-85.6	0	0	0	112.6	L331 F396 Y404 W407 I408 L411	L331-F385 HydrophobicContact CD1-CZ 3.84Å; L331-F385 HydrophobicContact CD2-CE1 4.02Å; L331-F385 HydrophobicContact CD2-CZ 4.13Å; F385-F396 HydrophobicContact CD1-CB 4.27Å; F385-F396 HydrophobicContact CD2-CB 4.19Å; F385-F396 HydrophobicContact CD2-CD2 4.39Å; F385-F396 HydrophobicContact CE1-CB 3.91Å; F385-F396 HydrophobicContact CE2-CB 3.82Å; F385-F396 AromaticContact CE2-CD2 3.77Å; F385-F396 HydrophobicContact CE2-CD2 3.77Å; F385-F396 HydrophobicContact CE2-CG 4.15Å; F385-F396 HydrophobicContact CG-CB 4.41Å; F385-F396 HydrophobicContact CZ-CB 3.68Å; F385-F396 HydrophobicContact CZ-CD2 4.24Å; F385-F396 HydrophobicContact CZ-CG 4.19Å; F385-F396 PolarHBondContact N-O 3.49Å; F385-F396 PolarHBondContact O-N 2.79Å; F385-Y404 HydrophobicContact CB-CE2 4.06Å; F385-Y404 AromaticContact CD1-CD2 3.92Å; F385-Y404 HydrophobicContact CD1-CD2 3.92Å; F385-Y404 AromaticContact CD1-CE2 3.95Å; F385-Y404 HydrophobicContact CD1-CE2 3.95Å; F385-Y404 HydrophobicContact CG-CE2 4.46Å; F385-W407 HydrophobicContact CE1-CB 4.22Å; F385-W407 HydrophobicContact CZ-CB 4.22Å; F385-I408 HydrophobicContact CB-CD1 3.69Å; F385-I408 HydrophobicContact CD1-CD1 3.94Å; F385-I408 HydrophobicContact CD2-CD1 4.04Å; F385-I408 HydrophobicContact CG-CD1 3.64Å; F385-L411 HydrophobicContact CD2-CD1 4.46Å; F385-L411 HydrophobicContact CE2-CD1 3.55Å; F385-L411 HydrophobicContact CZ-CD1 3.89Å
386	D	92.6	Very high	85.5	Confident	49 Å²	49	67.3 Å²	67.3	26%	0.262	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	125.5	174.9	-78	3.6	0	0	0	109.4	K376 T393 H395	K376-D386 HydrophobicContact CB-CB 4.3Å; K376-D386 PolarHBondContact N-O 3.28Å; K376-D386 PolarHBondContact O-N 3.33Å; D386-T393 HydrophobicContact CB-CG2 3.78Å; D386-H395 VanDerWaalsContact CG-ND1 3.26Å; D386-H395 IonicContact OD1-CE1 3.63Å; D386-H395 IonicContact OD1-CG 3.49Å; D386-H395 IonicContact OD1-ND1 2.73Å; D386-H395 PolarHBondContact OD1-ND1 3Å; D386-H395 IonicContact OD2-CE1 2.75Å; D386-H395 PolarHBondContact OD2-CE1 3.43Å; D386-H395 IonicContact OD2-ND1 3.55Å; D386-H395 PolarHBondContact OD2-ND1 3.13Å
387	L	91.9	Very high	85.7	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	107.6	165.6	-175	73.7	0	0	0	108.6	L354 L368 L370 C373 V375 Y394 F396	L354-L387 HydrophobicContact CD2-CD2 3.44Å; L354-L387 VanDerWaalsContact CD2-CD2 3.44Å; L368-L387 HydrophobicContact CD1-CD2 3.84Å; L370-L387 HydrophobicContact CD2-CD1 4.38Å; L370-L387 HydrophobicContact CD2-CD2 4.49Å; C373-L387 HydrophobicContact CB-CD1 3.78Å; C373-L387 HydrophobicContact CB-CG 4.14Å; V375-L387 HydrophobicContact CG2-CD1 3.82Å; L387-Y394 PolarHBondContact N-O 3.44Å; L387-Y394 PolarHBondContact O-N 2.94Å; L387-F396 HydrophobicContact CB-CD2 4.26Å; L387-F396 HydrophobicContact CB-CE2 4.14Å; L387-F396 HydrophobicContact CD2-CE2 4.36Å
388	I	88.9	Confident	86	Confident	53 Å²	53	61.7 Å²	61.7	27%	0.272	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	115.8	-178.5	-54	169.4	0	0	0	108	C373 Q374 K376 T393	C373-I388 CarbonylContact C-O 3.43Å; C373-I388 VanDerWaalsContact CA-O 3.23Å; C373-I388 WeakPolarHBondContact CA-O 3.37Å; Q374-I388 HydrophobicContact CB-CB 4.38Å; Q374-I388 PolarHBondContact N-O 3.16Å; Q374-I388 PolarHBondContact O-N 3.03Å; K376-I388 HydrophobicContact CB-CD1 4.39Å; K376-I388 HydrophobicContact CD-CD1 4.28Å; I388-T393 HydrophobicContact CG1-CG2 4.07Å
389	S	84.3	Confident	86.4	Confident	7 Å²	7	63.7 Å²	63.7	5%	0.049	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	160.2	168.5	-170.7	0	0	0	0	110.1	N391 R392	S389-N391 PolarHBondContact O-N 3.11Å; S389-R392 PolarHBondContact N-O 3.3Å; S389-R392 PolarHBondContact O-N 3.15Å
390	H	71.1	Confident	87.1	Confident	153 Å²	153	62 Å²	62	71%	0.708	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-38.5	-30.3	-177.7	69.1	-46	0	0	0	117.5
391	N	75.8	Confident	87.8	Confident	123 Å²	123	57.7 Å²	57.7	66%	0.658	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.2	3.9	179.4	64.6	9.5	0	0	0	114.8	S389	S389-N391 PolarHBondContact O-N 3.11Å
392	R	84.7	Confident	88.1	Confident	102 Å²	102	62.1 Å²	62.1	39%	0.385	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.1	135.3	-171.6	-169.8	173.4	-175.6	-176.5	6.3	113.9	D336 S389 Y394	D336-R392 IonicContact OD1-NH2 3.69Å; D336-R392 PolarHBondContact OD1-NH2 3.4Å; D336-R392 IonicContact OD2-CZ 2.72Å; D336-R392 VanDerWaalsContact OD2-CZ 3.24Å; D336-R392 IonicContact OD2-NE 2.61Å; D336-R392 PolarHBondContact OD2-NE 3.03Å; D336-R392 IonicContact OD2-NH2 2.81Å; D336-R392 PolarHBondContact OD2-NH2 3.1Å; S389-R392 PolarHBondContact N-O 3.3Å; S389-R392 PolarHBondContact O-N 3.15Å; R392-Y394 HydrophobicContact CB-CD2 4.44Å; R392-Y394 HydrophobicContact CB-CE2 3.89Å; R392-Y394 HydrophobicContact CG-CD2 4.17Å; R392-Y394 HydrophobicContact CG-CE2 3.78Å
393	T	89.6	Confident	88.8	Confident	51 Å²	51	57.8 Å²	57.8	31%	0.313	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	130.6	168	-53.3	0	0	0	0	111.3	D386 I388	D386-T393 HydrophobicContact CB-CG2 3.78Å; I388-T393 HydrophobicContact CG1-CG2 4.07Å
394	Y	91.4	Very high	89	Confident	19 Å²	19	55.1 Å²	55.1	8%	0.075	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	103	175.3	-68.7	-113.2	0	0	0	108.9	K333 I356 L368 L387 R392 F396	K333-Y394 HydrophobicContact CD-CD1 4.14Å; I356-Y394 HydrophobicContact CD1-CD1 3.77Å; I356-Y394 HydrophobicContact CD1-CE1 3.77Å; L368-Y394 HydrophobicContact CD1-CD1 4.3Å; L368-Y394 HydrophobicContact CD1-CD2 4.05Å; L368-Y394 HydrophobicContact CD1-CE1 4.11Å; L368-Y394 HydrophobicContact CD1-CE2 3.85Å; L368-Y394 HydrophobicContact CD1-CG 4.31Å; L368-Y394 HydrophobicContact CD2-CE2 4.13Å; L387-Y394 PolarHBondContact N-O 3.44Å; L387-Y394 PolarHBondContact O-N 2.94Å; R392-Y394 HydrophobicContact CB-CD2 4.44Å; R392-Y394 HydrophobicContact CB-CE2 3.89Å; R392-Y394 HydrophobicContact CG-CD2 4.17Å; R392-Y394 HydrophobicContact CG-CE2 3.78Å; Y394-F396 HydrophobicContact CD1-CZ 4.31Å; Y394-F396 HydrophobicContact CG-CE2 4.41Å; Y394-F396 WeakPolarHBondContact O-CD2 3.49Å; Y394-F396 PolarHBondContact O-N 2.88Å
395	H	92.6	Very high	89	Confident	72 Å²	72	57.4 Å²	57.4	33%	0.333	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	121.6	172.3	-51.3	-66.7	0	0	0	110	K333 K334 W342 D386	K333-H395 WeakPolarHBondContact CA-O 3.37Å; K334-H395 HydrophobicContact CB-CB 3.77Å; K334-H395 HydrophobicContact CD-CB 4.2Å; K334-H395 PolarHBondContact N-O 2.89Å; W342-H395 HydrophobicContact CH2-CB 4.29Å; W342-H395 HydrophobicContact CZ3-CB 4.39Å; D386-H395 VanDerWaalsContact CG-ND1 3.26Å; D386-H395 IonicContact OD1-CE1 3.63Å; D386-H395 IonicContact OD1-CG 3.49Å; D386-H395 IonicContact OD1-ND1 2.73Å; D386-H395 PolarHBondContact OD1-ND1 3Å; D386-H395 IonicContact OD2-CE1 2.75Å; D386-H395 PolarHBondContact OD2-CE1 3.43Å; D386-H395 IonicContact OD2-ND1 3.55Å; D386-H395 PolarHBondContact OD2-ND1 3.13Å
396	F	94.7	Very high	88.8	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	152.7	177.5	-71.2	-69.5	0	0	0	111.8	L331 L332 K333 L354 I356 S384 F385 L387 Y394	L331-F396 HydrophobicContact CB-CD1 3.75Å; L331-F396 HydrophobicContact CB-CE1 4.26Å; L331-F396 HydrophobicContact CD1-CB 4.49Å; L331-F396 HydrophobicContact CD1-CD1 4Å; L331-F396 HydrophobicContact CD1-CE1 4.34Å; L331-F396 HydrophobicContact CD1-CG 4.19Å; L331-F396 HydrophobicContact CG-CD1 4.47Å; L332-F396 CarbonylContact O-C 3.5Å; L332-F396 VanDerWaalsContact O-CA 3.3Å; L332-F396 WeakPolarHBondContact O-CA 3.41Å; K333-F396 HydrophobicContact CB-CD1 4Å; K333-F396 HydrophobicContact CB-CE1 3.83Å; K333-F396 HydrophobicContact CG-CD1 4.23Å; K333-F396 HydrophobicContact CG-CE1 3.92Å; K333-F396 HydrophobicContact CG-CZ 4.5Å; L354-F396 HydrophobicContact CD2-CE2 4.39Å; L354-F396 HydrophobicContact CD2-CZ 4.48Å; I356-F396 HydrophobicContact CD1-CZ 3.76Å; I356-F396 HydrophobicContact CG1-CZ 4.18Å; S384-F396 CarbonylContact C-O 3.58Å; S384-F396 VanDerWaalsContact CA-O 3.3Å; S384-F396 WeakPolarHBondContact CA-O 3.34Å; F385-F396 HydrophobicContact CD1-CB 4.27Å; F385-F396 HydrophobicContact CD2-CB 4.19Å; F385-F396 HydrophobicContact CD2-CD2 4.39Å; F385-F396 HydrophobicContact CE1-CB 3.91Å; F385-F396 HydrophobicContact CE2-CB 3.82Å; F385-F396 AromaticContact CE2-CD2 3.77Å; F385-F396 HydrophobicContact CE2-CD2 3.77Å; F385-F396 HydrophobicContact CE2-CG 4.15Å; F385-F396 HydrophobicContact CG-CB 4.41Å; F385-F396 HydrophobicContact CZ-CB 3.68Å; F385-F396 HydrophobicContact CZ-CD2 4.24Å; F385-F396 HydrophobicContact CZ-CG 4.19Å; F385-F396 PolarHBondContact N-O 3.49Å; F385-F396 PolarHBondContact O-N 2.79Å; L387-F396 HydrophobicContact CB-CD2 4.26Å; L387-F396 HydrophobicContact CB-CE2 4.14Å; L387-F396 HydrophobicContact CD2-CE2 4.36Å; Y394-F396 HydrophobicContact CD1-CZ 4.31Å; Y394-F396 HydrophobicContact CG-CE2 4.41Å; Y394-F396 WeakPolarHBondContact O-CD2 3.49Å; Y394-F396 PolarHBondContact O-N 2.88Å
397	Q	93.4	Very high	88.9	Confident	45 Å²	45	55.4 Å²	55.4	21%	0.21	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	133.7	168.5	-170.5	175.3	52.6	0	0	109.2	L332 W342 D381 K383 S384	L332-Q397 HydrophobicContact CB-CB 4.31Å; L332-Q397 PolarHBondContact N-O 2.85Å; L332-Q397 PolarHBondContact O-N 2.87Å; W342-Q397 HydrophobicContact CE3-CB 4.26Å; W342-Q397 HydrophobicContact CH2-CB 3.92Å; W342-Q397 HydrophobicContact CZ2-CB 4.34Å; W342-Q397 HydrophobicContact CZ3-CB 3.88Å; D381-Q397 PolarHBondContact OD2-NE2 2.9Å; K383-Q397 HydrophobicContact CB-CG 3.99Å; K383-Q397 CarbonylContact O-C 3.53Å; K383-Q397 VanDerWaalsContact O-CA 3.32Å; K383-Q397 WeakPolarHBondContact O-CA 3.24Å; S384-Q397 PolarHBondContact OG-NE2 3.48Å
398	A	93.4	Very high	88.9	Confident	2 Å²	2	56.6 Å²	56.6	2%	0.017	28%	0.277	C	S	.	.			trans	-88.8	167.9	176	0	0	0	0	0	111.4	L331 K383 D403	L331-A398 HydrophobicContact CD2-CB 4.11Å; K383-A398 PolarHBondContact O-N 2.63Å; A398-D403 HydrophobicContact CB-CB 4.43Å
399	E	91.4	Very high	89	Confident	107 Å²	107	54.5 Å²	54.5	50%	0.5	27%	0.266	S	S	.	.	S	Bend	trans	-71.1	-39.8	-176.1	-147.7	142.4	139.6	0	0	111.4	R344 K383	R344-E399 IonicContact CZ-OE2 2.71Å; R344-E399 IonicContact NE-OE2 2.75Å; R344-E399 VanDerWaalsContact NH2-CD 3.33Å; R344-E399 IonicContact NH2-OE1 3.05Å; R344-E399 PolarHBondContact NH2-OE1 2.96Å; R344-E399 VanDerWaalsContact NH2-OE1 3.15Å; R344-E399 IonicContact NH2-OE2 3.57Å; R344-E399 PolarHBondContact NH2-OE2 3.48Å; K383-E399 PolarHBondContact NZ-O 2.78Å
400	D	90	Very high	89.4	Confident	67 Å²	67	54.2 Å²	54.2	36%	0.358	27%	0.265	S	S	.	.	S	Bend	trans	-145.8	178.6	177.1	63.4	67.6	0	0	0	113.3	Q402 D403 Y404	D400-Q402 VanDerWaalsContact C-N 3.29Å; D400-Q402 PolarHBondContact O-N 2.72Å; D400-Q402 VanDerWaalsContact OD1-CA 3.3Å; D400-Q402 WeakPolarHBondContact OD1-CA 3.32Å; D400-Q402 VanDerWaalsContact OD1-CB 3.25Å; D400-Q402 WeakPolarHBondContact OD1-CB 3.32Å; D400-Q402 PolarHBondContact OD1-N 2.82Å; D400-D403 PolarHBondContact OD1-N 2.77Å; D400-Y404 VanDerWaalsContact O-CB 3.25Å; D400-Y404 WeakPolarHBondContact O-CB 3.32Å; D400-Y404 PolarHBondContact O-N 3.33Å
401	E	87.8	Confident	90.4	Very high	95 Å²	95	47 Å²	47	44%	0.444	23%	0.231	S	C	.	.	H	α-helix	trans	-69.2	-25.4	-178.5	-173.4	170.9	167.4	0	0	112.3	K382 V405	K382-E401 HydrophobicContact CB-CG 4.33Å; K382-E401 VanDerWaalsContact CD-CD 3.43Å; K382-E401 HydrophobicContact CD-CG 4.25Å; K382-E401 WeakPolarHBondContact CD-OE1 3.46Å; K382-E401 WeakPolarHBondContact CE-OE1 2.99Å; K382-E401 IonicContact NZ-OE1 2.64Å; K382-E401 PolarHBondContact NZ-OE1 2.77Å; K382-E401 IonicContact NZ-OE2 3.83Å; E401-V405 WeakPolarHBondContact O-CG2 3.33Å; E401-V405 PolarHBondContact O-N 2.84Å
402	Q	87.6	Confident	91.1	Very high	146 Å²	146	41.8 Å²	41.8	68%	0.682	20%	0.204	S	C	*	.	H	α-helix	trans	-81.9	-42.9	179.2	-161.5	172.7	17.1	0	0	111	D400 Y404 V405 A406	D400-Q402 VanDerWaalsContact C-N 3.29Å; D400-Q402 PolarHBondContact O-N 2.72Å; D400-Q402 VanDerWaalsContact OD1-CA 3.3Å; D400-Q402 WeakPolarHBondContact OD1-CA 3.32Å; D400-Q402 VanDerWaalsContact OD1-CB 3.25Å; D400-Q402 WeakPolarHBondContact OD1-CB 3.32Å; D400-Q402 PolarHBondContact OD1-N 2.82Å; Q402-Y404 VanDerWaalsContact C-N 3.31Å; Q402-Y404 PolarHBondContact O-N 3.3Å; Q402-V405 PolarHBondContact O-N 2.76Å; Q402-A406 WeakPolarHBondContact O-CB 3.34Å; Q402-A406 PolarHBondContact O-N 2.83Å
403	D	91.6	Very high	91.4	Very high	33 Å²	33	37.4 Å²	37.4	18%	0.176	19%	0.188	C	C	.	.	H	α-helix	trans	-63.9	-37	170	-170.9	55.2	0	0	0	111.3	K327 A398 D400 A406 W407	K327-D403 VanDerWaalsContact CE-OD1 3.25Å; K327-D403 WeakPolarHBondContact CE-OD1 3.2Å; K327-D403 IonicContact NZ-OD1 2.73Å; K327-D403 PolarHBondContact NZ-OD1 3.18Å; A398-D403 HydrophobicContact CB-CB 4.43Å; D400-D403 PolarHBondContact OD1-N 2.77Å; D403-A406 PolarHBondContact O-N 2.9Å; D403-W407 VanDerWaalsContact CG-CD1 3.49Å; D403-W407 PolarHBondContact O-N 2.86Å; D403-W407 PolarHBondContact OD1-NE1 2.68Å; D403-W407 PolarHBondContact OD2-NE1 3.03Å
404	Y	92.4	Very high	91.4	Very high	23 Å²	23	35 Å²	35	9%	0.09	17%	0.173	C	C	.	.	H	α-helix	trans	-56.9	-54	170.3	170.3	-96.7	0	0	0	112.2	P377 K382 S384 F385 D400 Q402 A406 W407 I408	P377-Y404 WeakPolarHBondContact CA-OH 3.25Å; P377-Y404 WeakPolarHBondContact CB-OH 3.48Å; K382-Y404 WeakPolarHBondContact O-CB 3.45Å; K382-Y404 WeakPolarHBondContact O-CD1 3.45Å; K382-Y404 WeakPolarHBondContact O-CD2 3.25Å; K382-Y404 WeakPolarHBondContact O-CE1 3.41Å; S384-Y404 WeakPolarHBondContact O-CE2 3.26Å; F385-Y404 HydrophobicContact CB-CE2 4.06Å; F385-Y404 AromaticContact CD1-CD2 3.92Å; F385-Y404 HydrophobicContact CD1-CD2 3.92Å; F385-Y404 AromaticContact CD1-CE2 3.95Å; F385-Y404 HydrophobicContact CD1-CE2 3.95Å; F385-Y404 HydrophobicContact CG-CE2 4.46Å; D400-Y404 VanDerWaalsContact O-CB 3.25Å; D400-Y404 WeakPolarHBondContact O-CB 3.32Å; D400-Y404 PolarHBondContact O-N 3.33Å; Q402-Y404 VanDerWaalsContact C-N 3.31Å; Q402-Y404 PolarHBondContact O-N 3.3Å; Y404-A406 PolarHBondContact O-N 3.16Å; Y404-W407 PolarHBondContact O-N 3.16Å; Y404-I408 HydrophobicContact CD1-CG1 4.41Å; Y404-I408 HydrophobicContact CD2-CG1 4.17Å; Y404-I408 HydrophobicContact CE1-CG1 4.11Å; Y404-I408 HydrophobicContact CE2-CD1 4.11Å; Y404-I408 HydrophobicContact CE2-CG1 3.86Å; Y404-I408 HydrophobicContact CG-CG1 4.44Å; Y404-I408 WeakPolarHBondContact O-CG1 3.42Å; Y404-I408 PolarHBondContact O-N 2.92Å
405	V	89.7	Confident	91.1	Very high	58 Å²	58	35.8 Å²	35.8	35%	0.352	18%	0.177	S	C	.	.	H	α-helix	trans	-58.9	-38.8	177.7	167.7	0	0	0	0	111.1	Y323 E401 Q402 S409	Y323-V405 HydrophobicContact CE2-CG1 3.86Å; E401-V405 WeakPolarHBondContact O-CG2 3.33Å; E401-V405 PolarHBondContact O-N 2.84Å; Q402-V405 PolarHBondContact O-N 2.76Å; V405-S409 VanDerWaalsContact O-CB 3.23Å; V405-S409 WeakPolarHBondContact O-CB 3.26Å; V405-S409 PolarHBondContact O-N 3.41Å; V405-S409 PolarHBondContact O-OG 3.33Å
406	A	90.3	Very high	90.7	Very high	7 Å²	7	34.3 Å²	34.3	6%	0.058	17%	0.17	C	C	.	.	H	α-helix	trans	-64.6	-45.6	175.4	0	0	0	0	0	112.6	Y323 K327 Q402 D403 Y404 S409 V410	Y323-A406 HydrophobicContact CD1-CB 3.52Å; Y323-A406 HydrophobicContact CE1-CB 3.6Å; Y323-A406 HydrophobicContact CG-CB 4.28Å; K327-A406 HydrophobicContact CD-CB 4.31Å; Q402-A406 WeakPolarHBondContact O-CB 3.34Å; Q402-A406 PolarHBondContact O-N 2.83Å; D403-A406 PolarHBondContact O-N 2.9Å; Y404-A406 PolarHBondContact O-N 3.16Å; A406-S409 PolarHBondContact O-N 3.31Å; A406-V410 WeakPolarHBondContact O-CB 3.41Å; A406-V410 VanDerWaalsContact O-CG2 3.25Å; A406-V410 WeakPolarHBondContact O-CG2 3.29Å; A406-V410 PolarHBondContact O-N 2.82Å
407	W	93.9	Very high	90	Very high	1 Å²	1	38.4 Å²	38.4	0%	0.004	19%	0.19	C	C	.	.	H	α-helix	trans	-65.3	-45	177.2	-80.2	112.7	0	0	0	112.6	K327 L331 C347 V349 F385 D403 Y404 S409 V410 L411	K327-W407 HydrophobicContact CB-CE3 4.46Å; K327-W407 HydrophobicContact CB-CZ3 4.15Å; K327-W407 HydrophobicContact CD-CD2 3.76Å; K327-W407 HydrophobicContact CD-CE3 3.85Å; K327-W407 HydrophobicContact CD-CG 4.2Å; K327-W407 HydrophobicContact CD-CH2 4.43Å; K327-W407 HydrophobicContact CD-CZ2 4.36Å; K327-W407 HydrophobicContact CD-CZ3 4.18Å; K327-W407 VanDerWaalsContact CE-NE1 3.33Å; K327-W407 HydrophobicContact CG-CD2 4.41Å; K327-W407 HydrophobicContact CG-CE3 4.19Å; K327-W407 HydrophobicContact CG-CH2 4.02Å; K327-W407 HydrophobicContact CG-CZ2 4.24Å; K327-W407 HydrophobicContact CG-CZ3 3.98Å; L331-W407 HydrophobicContact CD1-CD2 3.9Å; L331-W407 HydrophobicContact CD1-CE3 4.12Å; L331-W407 HydrophobicContact CD1-CG 4.34Å; L331-W407 HydrophobicContact CD1-CZ2 4.32Å; L331-W407 HydrophobicContact CD1-CZ3 4.44Å; L331-W407 HydrophobicContact CD2-CD2 4.15Å; L331-W407 HydrophobicContact CD2-CG 3.93Å; L331-W407 HydrophobicContact CG-CD2 4.09Å; L331-W407 HydrophobicContact CG-CG 4.41Å; L331-W407 HydrophobicContact CG-CZ2 4.04Å; C347-W407 HydrophobicContact CB-CH2 3.81Å; C347-W407 HydrophobicContact CB-CZ2 4.42Å; C347-W407 HydrophobicContact CB-CZ3 4.31Å; V349-W407 HydrophobicContact CG2-CZ3 4.17Å; F385-W407 HydrophobicContact CE1-CB 4.22Å; F385-W407 HydrophobicContact CZ-CB 4.22Å; D403-W407 VanDerWaalsContact CG-CD1 3.49Å; D403-W407 PolarHBondContact O-N 2.86Å; D403-W407 PolarHBondContact OD1-NE1 2.68Å; D403-W407 PolarHBondContact OD2-NE1 3.03Å; Y404-W407 PolarHBondContact O-N 3.16Å; W407-S409 VanDerWaalsContact C-N 3.35Å; W407-V410 PolarHBondContact O-N 2.8Å; W407-L411 VanDerWaalsContact O-CB 3.3Å; W407-L411 WeakPolarHBondContact O-CB 3.35Å; W407-L411 WeakPolarHBondContact O-CD1 3.3Å; W407-L411 WeakPolarHBondContact O-CG 3.49Å; W407-L411 PolarHBondContact O-N 2.76Å
408	I	92.1	Very high	89.3	Confident	25 Å²	25	37.1 Å²	37.1	13%	0.128	19%	0.187	C	C	.	.	H	α-helix	trans	-60.9	-46	176.7	-65	-65.1	0	0	0	110.4	V375 F385 Y404 T412	V375-I408 HydrophobicContact CG1-CD1 3.52Å; F385-I408 HydrophobicContact CB-CD1 3.69Å; F385-I408 HydrophobicContact CD1-CD1 3.94Å; F385-I408 HydrophobicContact CD2-CD1 4.04Å; F385-I408 HydrophobicContact CG-CD1 3.64Å; Y404-I408 HydrophobicContact CD1-CG1 4.41Å; Y404-I408 HydrophobicContact CD2-CG1 4.17Å; Y404-I408 HydrophobicContact CE1-CG1 4.11Å; Y404-I408 HydrophobicContact CE2-CD1 4.11Å; Y404-I408 HydrophobicContact CE2-CG1 3.86Å; Y404-I408 HydrophobicContact CG-CG1 4.44Å; Y404-I408 WeakPolarHBondContact O-CG1 3.42Å; Y404-I408 PolarHBondContact O-N 2.92Å; I408-T412 VanDerWaalsContact O-CB 3.32Å; I408-T412 WeakPolarHBondContact O-CB 3.26Å; I408-T412 PolarHBondContact O-N 3.43Å; I408-T412 VanDerWaalsContact O-N 3.15Å; I408-T412 PolarHBondContact O-OG1 2.9Å
409	S	91.3	Very high	88.3	Confident	8 Å²	8	39.8 Å²	39.8	6%	0.056	20%	0.2	C	C	.	.	H	α-helix	trans	-61.4	-51.5	178.2	-60.5	0	0	0	0	111	N320 V405 A406 W407 L411 T412 N413	N320-S409 PolarHBondContact N-OG 3.42Å; V405-S409 VanDerWaalsContact O-CB 3.23Å; V405-S409 WeakPolarHBondContact O-CB 3.26Å; V405-S409 PolarHBondContact O-N 3.41Å; V405-S409 PolarHBondContact O-OG 3.33Å; A406-S409 PolarHBondContact O-N 3.31Å; W407-S409 VanDerWaalsContact C-N 3.35Å; S409-L411 PolarHBondContact O-N 2.98Å; S409-T412 CarbonylContact O-C 3.51Å; S409-T412 WeakPolarHBondContact O-CB 3.45Å; S409-T412 PolarHBondContact O-N 3.2Å; S409-T412 VanDerWaalsContact O-N 3.1Å; S409-N413 WeakPolarHBondContact O-CB 3.35Å; S409-N413 PolarHBondContact O-N 3.38Å; S409-N413 PolarHBondContact O-ND2 3.47Å; S409-N413 PolarHBondContact O-OD1 3.45Å
410	V	93.3	Very high	87.2	Confident	2 Å²	2	37.8 Å²	37.8	1%	0.012	20%	0.195	C	C	.	.	H	α-helix	trans	-65	-41.8	-178	172.9	0	0	0	0	112.8	Y323 K327 V349 A406 W407 T412 N413 S414	Y323-V410 WeakPolarHBondContact O-CG2 3.34Å; K327-V410 HydrophobicContact CB-CB 4.11Å; K327-V410 HydrophobicContact CB-CG1 3.69Å; K327-V410 HydrophobicContact CB-CG2 4Å; K327-V410 HydrophobicContact CD-CG2 4.22Å; V349-V410 HydrophobicContact CB-CG1 4.09Å; V349-V410 HydrophobicContact CG1-CG1 3.99Å; A406-V410 WeakPolarHBondContact O-CB 3.41Å; A406-V410 VanDerWaalsContact O-CG2 3.25Å; A406-V410 WeakPolarHBondContact O-CG2 3.29Å; A406-V410 PolarHBondContact O-N 2.82Å; W407-V410 PolarHBondContact O-N 2.8Å; V410-T412 PolarHBondContact O-N 2.93Å; V410-N413 PolarHBondContact O-N 3.02Å; V410-S414 WeakPolarHBondContact O-CB 3.31Å; V410-S414 PolarHBondContact O-N 2.84Å
411	L	92.4	Very high	85.9	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-61.4	-29.3	175.6	-72.7	166.1	0	0	0	112.3	V349 L354 L370 V375 F385 W407 S409	V349-L411 HydrophobicContact CG2-CD2 3.55Å; V349-L411 HydrophobicContact CG2-CG 4.31Å; L354-L411 HydrophobicContact CB-CD2 4.34Å; L354-L411 HydrophobicContact CD1-CD2 4.46Å; L354-L411 HydrophobicContact CD2-CD2 4.11Å; L370-L411 HydrophobicContact CD1-CD2 4.09Å; L370-L411 HydrophobicContact CD2-CD2 3.7Å; V375-L411 HydrophobicContact CG2-CB 3.77Å; F385-L411 HydrophobicContact CD2-CD1 4.46Å; F385-L411 HydrophobicContact CE2-CD1 3.55Å; F385-L411 HydrophobicContact CZ-CD1 3.89Å; W407-L411 VanDerWaalsContact O-CB 3.3Å; W407-L411 WeakPolarHBondContact O-CB 3.35Å; W407-L411 WeakPolarHBondContact O-CD1 3.3Å; W407-L411 WeakPolarHBondContact O-CG 3.49Å; W407-L411 PolarHBondContact O-N 2.76Å; S409-L411 PolarHBondContact O-N 2.98Å
412	T	89.9	Confident	84.4	Confident	13 Å²	13	37.3 Å²	37.3	8%	0.08	20%	0.203	C	C	.	.	H	α-helix	trans	-83.6	-48.4	178.9	-54.9	0	0	0	0	111.3	L317 I408 S409 V410 S414 K415 E416	L317-T412 WeakPolarHBondContact O-CG2 3.36Å; I408-T412 VanDerWaalsContact O-CB 3.32Å; I408-T412 WeakPolarHBondContact O-CB 3.26Å; I408-T412 PolarHBondContact O-N 3.43Å; I408-T412 VanDerWaalsContact O-N 3.15Å; I408-T412 PolarHBondContact O-OG1 2.9Å; S409-T412 CarbonylContact O-C 3.51Å; S409-T412 WeakPolarHBondContact O-CB 3.45Å; S409-T412 PolarHBondContact O-N 3.2Å; S409-T412 VanDerWaalsContact O-N 3.1Å; V410-T412 PolarHBondContact O-N 2.93Å; T412-S414 PolarHBondContact O-N 2.82Å; T412-K415 WeakPolarHBondContact O-CA 3.45Å; T412-K415 WeakPolarHBondContact O-CB 3.2Å; T412-K415 PolarHBondContact O-N 2.93Å; T412-K415 VanDerWaalsContact O-N 3.08Å; T412-E416 PolarHBondContact O-N 3.34Å
413	N	90.3	Very high	82.4	Confident	10 Å²	10	38.5 Å²	38.5	5%	0.053	21%	0.206	C	C	.	.	H	α-helix	trans	-59.4	-44.8	176.4	-63.8	-12.9	0	0	0	111.3	G319 N320 G324 S409 V410 K415 E416 E417	G319-N413 VanDerWaalsContact C-OD1 3.29Å; G319-N413 WeakPolarHBondContact CA-OD1 3.48Å; G319-N413 PolarHBondContact O-OD1 3.31Å; N320-N413 PolarHBondContact O-ND2 3.49Å; G324-N413 VanDerWaalsContact O-CB 3.24Å; G324-N413 WeakPolarHBondContact O-CB 3.03Å; G324-N413 PolarHBondContact O-ND2 2.86Å; S409-N413 WeakPolarHBondContact O-CB 3.35Å; S409-N413 PolarHBondContact O-N 3.38Å; S409-N413 PolarHBondContact O-ND2 3.47Å; S409-N413 PolarHBondContact O-OD1 3.45Å; V410-N413 PolarHBondContact O-N 3.02Å; N413-K415 PolarHBondContact O-N 3.49Å; N413-E416 PolarHBondContact O-N 3.12Å; N413-E417 VanDerWaalsContact O-CB 3.29Å; N413-E417 WeakPolarHBondContact O-CB 3.43Å; N413-E417 PolarHBondContact O-N 3.2Å
414	S	89.4	Confident	80.2	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-66	-26	177.2	-152	0	0	0	0	112.4	S325 V349 G352 V410 T412 A418	S325-S414 WeakPolarHBondContact O-CB 3.47Å; S325-S414 PolarHBondContact O-OG 3.46Å; V349-S414 VanDerWaalsContact CG1-CB 3.5Å; V349-S414 VanDerWaalsContact CG1-OG 3.31Å; V349-S414 WeakPolarHBondContact CG1-OG 3.23Å; G352-S414 PolarHBondContact N-OG 3.1Å; V410-S414 WeakPolarHBondContact O-CB 3.31Å; V410-S414 PolarHBondContact O-N 2.84Å; T412-S414 PolarHBondContact O-N 2.82Å; S414-A418 WeakPolarHBondContact O-CB 3.35Å; S414-A418 PolarHBondContact O-N 3.08Å
415	K	86.6	Confident	77.9	Confident	36 Å²	36	49 Å²	49	16%	0.157	27%	0.267	C	S	.	.	H	α-helix	trans	-76	-44.1	170.9	-172.5	-179.5	-176	167.6	0	111.8	L370 L371 C373 T412 N413 A418 L419	L370-K415 HydrophobicContact CB-CB 4.21Å; L370-K415 WeakPolarHBondContact O-CD 3.38Å; L370-K415 VanDerWaalsContact O-CE 3.26Å; L370-K415 WeakPolarHBondContact O-CE 3.48Å; L371-K415 HydrophobicContact CD2-CG 4.41Å; L371-K415 VanDerWaalsContact O-CE 3.31Å; L371-K415 WeakPolarHBondContact O-CE 3.07Å; L371-K415 PolarHBondContact O-NZ 2.96Å; L371-K415 VanDerWaalsContact O-NZ 3.14Å; C373-K415 PolarHBondContact O-NZ 2.9Å; T412-K415 WeakPolarHBondContact O-CA 3.45Å; T412-K415 WeakPolarHBondContact O-CB 3.2Å; T412-K415 PolarHBondContact O-N 2.93Å; T412-K415 VanDerWaalsContact O-N 3.08Å; N413-K415 PolarHBondContact O-N 3.49Å; K415-A418 PolarHBondContact O-N 3.39Å; K415-L419 HydrophobicContact CG-CD1 4.38Å; K415-L419 WeakPolarHBondContact O-CB 3.44Å; K415-L419 VanDerWaalsContact O-CG 3.29Å; K415-L419 WeakPolarHBondContact O-CG 3.41Å; K415-L419 PolarHBondContact O-N 3.34Å
416	E	83.7	Confident	75.3	Confident	42 Å²	42	54.2 Å²	54.2	20%	0.196	29%	0.288	C	S	.	.	H	α-helix	trans	-64.6	-41.1	177.3	-170.7	-177.6	164.3	0	0	111.4	K321 T412 N413 L419 T420	K321-E416 IonicContact NZ-OE1 3.41Å; K321-E416 PolarHBondContact NZ-OE1 3.47Å; K321-E416 IonicContact NZ-OE2 3.67Å; T412-E416 PolarHBondContact O-N 3.34Å; N413-E416 PolarHBondContact O-N 3.12Å; E416-L419 PolarHBondContact O-N 3.09Å; E416-T420 WeakPolarHBondContact O-CB 3.32Å; E416-T420 PolarHBondContact O-N 3.4Å; E416-T420 PolarHBondContact O-OG1 3.08Å
417	E	80.6	Confident	73.2	Confident	86 Å²	86	60.7 Å²	60.7	40%	0.402	32%	0.317	S	S	.	.	H	α-helix	trans	-66.7	-46.4	173.5	-175.8	179.1	-111.9	0	0	111.4	S325 N413 L419 T420 M421	S325-E417 WeakPolarHBondContact CB-OE2 3.22Å; S325-E417 VanDerWaalsContact OG-CD 3.28Å; S325-E417 PolarHBondContact OG-OE1 2.77Å; S325-E417 PolarHBondContact OG-OE2 2.86Å; N413-E417 VanDerWaalsContact O-CB 3.29Å; N413-E417 WeakPolarHBondContact O-CB 3.43Å; N413-E417 PolarHBondContact O-N 3.2Å; E417-L419 VanDerWaalsContact C-N 3.29Å; E417-L419 PolarHBondContact O-N 2.97Å; E417-T420 CarbonylContact O-C 3.56Å; E417-T420 PolarHBondContact O-N 3.43Å; E417-T420 VanDerWaalsContact O-N 3.07Å; E417-M421 HydrophobicContact CG-CG 4.16Å; E417-M421 WeakPolarHBondContact O-CB 3.46Å; E417-M421 WeakPolarHBondContact O-CG 3.18Å; E417-M421 PolarHBondContact O-N 3.42Å
418	A	76.7	Confident	70.2	Confident	18 Å²	18	65.7 Å²	65.7	15%	0.149	35%	0.352	C	S	.	.	H	α-helix	trans	-63.6	-33.6	176.3	0	0	0	0	0	112.9	L371 S414 K415 A422	L371-A418 HydrophobicContact CD2-CB 3.79Å; L371-A418 HydrophobicContact CG-CB 4.2Å; S414-A418 WeakPolarHBondContact O-CB 3.35Å; S414-A418 PolarHBondContact O-N 3.08Å; K415-A418 PolarHBondContact O-N 3.39Å; A418-A422 VanDerWaalsContact O-CB 3.28Å; A418-A422 WeakPolarHBondContact O-CB 3.48Å; A418-A422 PolarHBondContact O-N 2.97Å; A418-A422 VanDerWaalsContact O-N 3.08Å
419	L	72.6	Confident	67.5	Low	58 Å²	58	68.3 Å²	68.3	30%	0.304	38%	0.377	S	S	.	.	H	α-helix	trans	-63.4	-50	168.3	-77.3	165.8	0	0	0	110.4	L371 K415 E416 E417 M421 A422 F423	L371-L419 HydrophobicContact CD2-CB 4.42Å; L371-L419 HydrophobicContact CD2-CD2 3.85Å; L371-L419 HydrophobicContact CD2-CG 3.64Å; K415-L419 HydrophobicContact CG-CD1 4.38Å; K415-L419 WeakPolarHBondContact O-CB 3.44Å; K415-L419 VanDerWaalsContact O-CG 3.29Å; K415-L419 WeakPolarHBondContact O-CG 3.41Å; K415-L419 PolarHBondContact O-N 3.34Å; E416-L419 PolarHBondContact O-N 3.09Å; E417-L419 VanDerWaalsContact C-N 3.29Å; E417-L419 PolarHBondContact O-N 2.97Å; L419-M421 VanDerWaalsContact C-N 3.34Å; L419-M421 PolarHBondContact O-N 3.27Å; L419-A422 PolarHBondContact O-N 3.25Å; L419-F423 HydrophobicContact CB-CE2 4.45Å; L419-F423 HydrophobicContact CD2-CE2 4.37Å; L419-F423 WeakPolarHBondContact O-CD2 3.32Å; L419-F423 PolarHBondContact O-N 3.37Å
420	T	69.3	Low	64.9	Low	64 Å²	64	71.4 Å²	71.4	39%	0.393	41%	0.411	S	S	.	.	H	α-helix	trans	-62.9	-39	-177.3	-55.8	0	0	0	0	112.3	E416 E417 F423 R424	E416-T420 WeakPolarHBondContact O-CB 3.32Å; E416-T420 PolarHBondContact O-N 3.4Å; E416-T420 PolarHBondContact O-OG1 3.08Å; E417-T420 CarbonylContact O-C 3.56Å; E417-T420 PolarHBondContact O-N 3.43Å; E417-T420 VanDerWaalsContact O-N 3.07Å; T420-F423 CarbonylContact O-C 3.53Å; T420-F423 PolarHBondContact O-N 2.75Å; T420-R424 WeakPolarHBondContact O-CB 3.42Å; T420-R424 VanDerWaalsContact O-CG 3.31Å; T420-R424 WeakPolarHBondContact O-CG 3.46Å; T420-R424 PolarHBondContact O-N 3.43Å; T420-R424 VanDerWaalsContact O-N 3.17Å
421	M	61.8	Low	62.2	Low	90 Å²	90	80.3 Å²	80.3	44%	0.443	45%	0.452	S	S	.	.	H	α-helix	trans	-66.3	-43.5	174.4	-67.7	-85.9	-75.2	0	0	111.1	E417 L419 F423 R424 G425 Q427	E417-M421 HydrophobicContact CG-CG 4.16Å; E417-M421 WeakPolarHBondContact O-CB 3.46Å; E417-M421 WeakPolarHBondContact O-CG 3.18Å; E417-M421 PolarHBondContact O-N 3.42Å; L419-M421 VanDerWaalsContact C-N 3.34Å; L419-M421 PolarHBondContact O-N 3.27Å; M421-F423 PolarHBondContact O-N 3.18Å; M421-R424 PolarHBondContact O-N 3.3Å; M421-G425 PolarHBondContact O-N 2.96Å; M421-Q427 HydrophobicContact CE-CG 4.35Å
422	A	56.7	Low	60.1	Low	63 Å²	63	82.7 Å²	82.7	52%	0.521	47%	0.465	S	S	.	.	H	α-helix	trans	-64.6	-17.6	173.9	0	0	0	0	0	113.4	A418 L419	A418-A422 VanDerWaalsContact O-CB 3.28Å; A418-A422 WeakPolarHBondContact O-CB 3.48Å; A418-A422 PolarHBondContact O-N 2.97Å; A418-A422 VanDerWaalsContact O-N 3.08Å; L419-A422 PolarHBondContact O-N 3.25Å
423	F	45	Very low	58.8	Low	171 Å²	171	87.1 Å²	87.1	75%	0.75	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.2	6.7	170.7	-65.4	-56.8	0	0	0	114.1	L419 T420 M421	L419-F423 HydrophobicContact CB-CE2 4.45Å; L419-F423 HydrophobicContact CD2-CE2 4.37Å; L419-F423 WeakPolarHBondContact O-CD2 3.32Å; L419-F423 PolarHBondContact O-N 3.37Å; T420-F423 CarbonylContact O-C 3.53Å; T420-F423 PolarHBondContact O-N 2.75Å; M421-F423 PolarHBondContact O-N 3.18Å
424	R	45.6	Very low	58	Low	196 Å²	196	90.9 Å²	90.9	74%	0.74	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.2	5.3	-176.1	-74.8	-173.5	178.6	-116.8	-1.1	116	T420 M421 E426	T420-R424 WeakPolarHBondContact O-CB 3.42Å; T420-R424 VanDerWaalsContact O-CG 3.31Å; T420-R424 WeakPolarHBondContact O-CG 3.46Å; T420-R424 PolarHBondContact O-N 3.43Å; T420-R424 VanDerWaalsContact O-N 3.17Å; M421-R424 PolarHBondContact O-N 3.3Å; R424-E426 PolarHBondContact O-N 3.02Å
425	G	43.9	Very low	57.5	Low	79 Å²	79	94.1 Å²	94.1	81%	0.814	53%	0.531	S	S	*	.			trans	73.9	-23.5	158.1	0	0	0	0	0	118.6	M421	M421-G425 PolarHBondContact O-N 2.96Å
426	E	35.9	Very low	57.1	Low	169 Å²	169	95.2 Å²	95.2	79%	0.79	54%	0.539	S	S	*	.			trans	-101.5	132.9	-173.1	-63.4	-173.8	135.7	0	0	113.6	R424	R424-E426 PolarHBondContact O-N 3.02Å
427	Q	46.6	Very low	57	Low	143 Å²	143	95.7 Å²	95.7	67%	0.668	54%	0.542	S	S	*	.			trans	-133.6	133.6	171.7	-75.7	-168.1	54	0	0	112.7	M421 K439	M421-Q427 HydrophobicContact CE-CG 4.35Å; Q427-K439 PolarHBondContact O-NZ 2.67Å
428	S	31.2	Very low	57.4	Low	106 Å²	106	92.3 Å²	92.3	74%	0.741	53%	0.528	S	S	*	.			trans	-56.7	134.8	-176.7	45.4	0	0	0	0	114.5
429	A	34.6	Very low	58	Low	79 Å²	79	95.6 Å²	95.6	65%	0.653	54%	0.539	S	S	*	.			trans	-76.1	147.4	169.8	0	0	0	0	0	111.4
430	G	36.1	Very low	58.7	Low	73 Å²	73	94.6 Å²	94.6	75%	0.753	54%	0.539	S	S	*	.	S	Bend	trans	-176.9	-37.1	178.4	0	0	0	0	0	116.3
431	E	37.3	Very low	59.8	Low	190 Å²	190	91.6 Å²	91.6	89%	0.888	52%	0.52	S	S	*	.	S	Bend	trans	-131.2	10.6	-176.2	-62.9	-170.6	123.4	0	0	113.7
432	N	48.6	Very low	61.3	Low	50 Å²	50	88.5 Å²	88.5	27%	0.267	51%	0.505	S	S	.	.			trans	-122.9	33.3	-140.1	-87.3	-1.2	0	0	0	117.7	L434 E435 D436	N432-L434 CarbonylContact O-C 3.37Å; N432-L434 PolarHBondContact O-N 2.81Å; N432-E435 HydrophobicContact CB-CB 4.05Å; N432-E435 HydrophobicContact CB-CG 4.07Å; N432-E435 PolarHBondContact ND2-OE2 3.07Å; N432-E435 WeakPolarHBondContact O-CA 3.47Å; N432-E435 PolarHBondContact O-N 2.88Å; N432-D436 VanDerWaalsContact C-OD2 3.26Å; N432-D436 VanDerWaalsContact O-CG 3.3Å; N432-D436 PolarHBondContact O-N 3.03Å; N432-D436 VanDerWaalsContact O-OD2 3.12Å
433	S	63.5	Low	63.1	Low	107 Å²	107	89.7 Å²	89.7	75%	0.748	50%	0.5	S	S	*	.	H	α-helix	trans	-51.6	-22.9	-178	-175.1	0	0	0	0	116.3	L437	S433-L437 PolarHBondContact O-N 2.69Å
434	L	73.2	Confident	65.4	Low	88 Å²	88	82.2 Å²	82.2	46%	0.461	47%	0.468	S	S	.	.	H	α-helix	trans	-86.2	-34.5	172.6	179.1	60.2	0	0	0	112.8	N432 L437 T438 T501 H702	N432-L434 CarbonylContact O-C 3.37Å; N432-L434 PolarHBondContact O-N 2.81Å; L434-L437 HydrophobicContact CD1-CD2 4.4Å; L434-L437 PolarHBondContact O-N 2.67Å; L434-T438 PolarHBondContact O-N 3.07Å; L434-T438 PolarHBondContact O-OG1 2.6Å; L434-T501 HydrophobicContact CD1-CG2 4.26Å; L434-H702 HydrophobicContact CD1-CB 4.28Å; L434-H702 HydrophobicContact CD2-CB 4.44Å
435	E	77.3	Confident	67.7	Low	69 Å²	69	72.9 Å²	72.9	32%	0.322	43%	0.433	S	S	.	.	H	α-helix	trans	-75	-32.2	176.2	-41	-166.2	165.7	0	0	110.9	N432 T438 K439 K498	N432-E435 HydrophobicContact CB-CB 4.05Å; N432-E435 HydrophobicContact CB-CG 4.07Å; N432-E435 PolarHBondContact ND2-OE2 3.07Å; N432-E435 WeakPolarHBondContact O-CA 3.47Å; N432-E435 PolarHBondContact O-N 2.88Å; E435-T438 PolarHBondContact O-N 3.07Å; E435-K439 WeakPolarHBondContact O-CG 3.49Å; E435-K439 PolarHBondContact O-N 2.88Å; E435-K498 IonicContact OE1-NZ 3.2Å; E435-K498 PolarHBondContact OE1-NZ 3.4Å
436	D	79.2	Confident	70.1	Confident	59 Å²	59	72.8 Å²	72.8	32%	0.316	41%	0.411	S	S	.	.	H	α-helix	trans	-66.5	-39.1	172.3	-58.3	-36.7	0	0	0	111	N432 K439 A440	N432-D436 VanDerWaalsContact C-OD2 3.26Å; N432-D436 VanDerWaalsContact O-CG 3.3Å; N432-D436 PolarHBondContact O-N 3.03Å; N432-D436 VanDerWaalsContact O-OD2 3.12Å; D436-K439 PolarHBondContact O-N 2.89Å; D436-K439 IonicContact OD1-NZ 2.77Å; D436-A440 PolarHBondContact O-N 3.18Å
437	L	82.3	Confident	72.8	Confident	51 Å²	51	72 Å²	72	27%	0.267	40%	0.401	S	S	.	.	H	α-helix	trans	-62.8	-44.2	168.5	174.9	62.2	0	0	0	111.7	S433 L434 K439 A440 I441 T501 L709	S433-L437 PolarHBondContact O-N 2.69Å; L434-L437 HydrophobicContact CD1-CD2 4.4Å; L434-L437 PolarHBondContact O-N 2.67Å; L437-K439 PolarHBondContact O-N 3.01Å; L437-A440 PolarHBondContact O-N 3.02Å; L437-I441 HydrophobicContact CD1-CD1 3.99Å; L437-I441 HydrophobicContact CD1-CG1 4.26Å; L437-I441 HydrophobicContact CG-CD1 3.92Å; L437-I441 WeakPolarHBondContact O-CD1 3.34Å; L437-I441 VanDerWaalsContact O-CG1 3.28Å; L437-I441 WeakPolarHBondContact O-CG1 3.26Å; L437-I441 PolarHBondContact O-N 3.21Å; L437-T501 HydrophobicContact CD2-CG2 4.46Å; L437-L709 HydrophobicContact CD1-CD1 4.03Å
438	T	88.6	Confident	75.1	Confident	16 Å²	16	66.9 Å²	66.9	10%	0.098	38%	0.378	C	S	.	.	H	α-helix	trans	-61.1	-42.9	177	-59.6	0	0	0	0	111.6	L434 E435 I441 I442 L504	L434-T438 PolarHBondContact O-N 3.07Å; L434-T438 PolarHBondContact O-OG1 2.6Å; E435-T438 PolarHBondContact O-N 3.07Å; T438-I441 PolarHBondContact O-N 2.94Å; T438-I442 HydrophobicContact CG2-CD1 4.07Å; T438-I442 VanDerWaalsContact O-CG1 3.32Å; T438-I442 WeakPolarHBondContact O-CG1 3.32Å; T438-I442 PolarHBondContact O-N 3.26Å; T438-L504 HydrophobicContact CG2-CD1 3.75Å
439	K	88.7	Confident	78	Confident	86 Å²	86	66 Å²	66	37%	0.374	37%	0.37	S	S	.	.	H	α-helix	trans	-58.2	-51.1	173.2	-74	171.2	-179.7	174.3	0	111.5	Q427 E435 D436 L437 I441 I442 E443	Q427-K439 PolarHBondContact O-NZ 2.67Å; E435-K439 WeakPolarHBondContact O-CG 3.49Å; E435-K439 PolarHBondContact O-N 2.88Å; D436-K439 PolarHBondContact O-N 2.89Å; D436-K439 IonicContact OD1-NZ 2.77Å; L437-K439 PolarHBondContact O-N 3.01Å; K439-I441 VanDerWaalsContact C-N 3.26Å; K439-I441 PolarHBondContact O-N 2.66Å; K439-I442 CarbonylContact O-C 3.51Å; K439-I442 WeakPolarHBondContact O-CA 3.36Å; K439-I442 WeakPolarHBondContact O-CB 3.45Å; K439-I442 PolarHBondContact O-N 3.2Å; K439-E443 PolarHBondContact O-N 2.78Å
440	A	88.2	Confident	80.9	Confident	38 Å²	38	62.9 Å²	62.9	31%	0.314	35%	0.345	S	S	.	.	H	α-helix	trans	-61.4	-33.1	-179.7	0	0	0	0	0	113	D436 L437 D444 L709	D436-A440 PolarHBondContact O-N 3.18Å; L437-A440 PolarHBondContact O-N 3.02Å; A440-D444 WeakPolarHBondContact O-CB 3.26Å; A440-D444 PolarHBondContact O-N 2.96Å; A440-D444 VanDerWaalsContact O-N 3.11Å; A440-L709 HydrophobicContact CB-CD1 3.9Å
441	I	91.6	Very high	83.8	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-69	-41.6	171.2	-63.2	160.7	0	0	0	111.1	L437 T438 K439 D444 V445 T501 L504 W707 L709	L437-I441 HydrophobicContact CD1-CD1 3.99Å; L437-I441 HydrophobicContact CD1-CG1 4.26Å; L437-I441 HydrophobicContact CG-CD1 3.92Å; L437-I441 WeakPolarHBondContact O-CD1 3.34Å; L437-I441 VanDerWaalsContact O-CG1 3.28Å; L437-I441 WeakPolarHBondContact O-CG1 3.26Å; L437-I441 PolarHBondContact O-N 3.21Å; T438-I441 PolarHBondContact O-N 2.94Å; K439-I441 VanDerWaalsContact C-N 3.26Å; K439-I441 PolarHBondContact O-N 2.66Å; I441-D444 PolarHBondContact O-N 3.37Å; I441-V445 HydrophobicContact CG2-CG2 4.35Å; I441-V445 VanDerWaalsContact O-CB 3.31Å; I441-V445 WeakPolarHBondContact O-CB 3.42Å; I441-V445 WeakPolarHBondContact O-CG2 3.42Å; I441-V445 PolarHBondContact O-N 3Å; I441-T501 HydrophobicContact CD1-CG2 3.83Å; I441-L504 HydrophobicContact CB-CD1 4.02Å; I441-L504 HydrophobicContact CG2-CB 3.73Å; I441-L504 HydrophobicContact CG2-CD1 3.74Å; I441-L504 HydrophobicContact CG2-CG 4.3Å; I441-W707 HydrophobicContact CB-CE3 4.42Å; I441-W707 HydrophobicContact CD1-CD2 3.55Å; I441-W707 HydrophobicContact CD1-CE3 3.7Å; I441-W707 HydrophobicContact CD1-CG 4.11Å; I441-W707 HydrophobicContact CD1-CH2 4.22Å; I441-W707 HydrophobicContact CD1-CZ2 4.07Å; I441-W707 HydrophobicContact CD1-CZ3 4.04Å; I441-W707 HydrophobicContact CG1-CD2 3.91Å; I441-W707 HydrophobicContact CG1-CE3 3.73Å; I441-W707 HydrophobicContact CG1-CG 4.34Å; I441-W707 HydrophobicContact CG1-CZ3 4.27Å; I441-W707 HydrophobicContact CG2-CE3 3.74Å; I441-W707 HydrophobicContact CG2-CH2 4.38Å; I441-W707 HydrophobicContact CG2-CZ3 3.56Å; I441-L709 HydrophobicContact CG1-CD1 4.28Å; I441-L709 HydrophobicContact CG1-CD2 4.04Å
442	I	94.6	Very high	86.6	Confident	25 Å²	25	55.2 Å²	55.2	13%	0.128	29%	0.293	C	S	.	.	H	α-helix	trans	-62.1	-44.2	176.7	-70.8	168.3	0	0	0	110.9	T438 K439 V445 Q446 L494 L504	T438-I442 HydrophobicContact CG2-CD1 4.07Å; T438-I442 VanDerWaalsContact O-CG1 3.32Å; T438-I442 WeakPolarHBondContact O-CG1 3.32Å; T438-I442 PolarHBondContact O-N 3.26Å; K439-I442 CarbonylContact O-C 3.51Å; K439-I442 WeakPolarHBondContact O-CA 3.36Å; K439-I442 WeakPolarHBondContact O-CB 3.45Å; K439-I442 PolarHBondContact O-N 3.2Å; I442-V445 WeakPolarHBondContact O-CB 3.45Å; I442-V445 PolarHBondContact O-N 3.42Å; I442-Q446 WeakPolarHBondContact O-CG 3.33Å; I442-Q446 PolarHBondContact O-N 3.35Å; I442-L494 HydrophobicContact CG1-CD2 4.39Å; I442-L494 HydrophobicContact CG2-CB 4.22Å; I442-L494 HydrophobicContact CG2-CD1 4.28Å; I442-L494 HydrophobicContact CG2-CD2 4.41Å; I442-L504 HydrophobicContact CD1-CD1 4.34Å; I442-L504 HydrophobicContact CG1-CD1 3.74Å; I442-L504 HydrophobicContact CG1-CD2 3.76Å; I442-L504 HydrophobicContact CG1-CG 4.43Å
443	E	92.5	Very high	88.9	Confident	88 Å²	88	56.4 Å²	56.4	41%	0.411	30%	0.299	S	S	.	.	H	α-helix	trans	-62.4	-47.6	176.9	-71.5	178.5	-132.2	0	0	112.1	K439 V445 Q446 R447	K439-E443 PolarHBondContact O-N 2.78Å; E443-V445 VanDerWaalsContact C-N 3.3Å; E443-V445 PolarHBondContact O-N 2.84Å; E443-Q446 PolarHBondContact O-N 3.18Å; E443-R447 VanDerWaalsContact O-CG 3.22Å; E443-R447 WeakPolarHBondContact O-CG 3.47Å; E443-R447 PolarHBondContact O-N 3.09Å; E443-R447 IonicContact OE2-NH2 2.68Å; E443-R447 PolarHBondContact OE2-NH2 3Å
444	D	93.4	Very high	90.6	Very high	15 Å²	15	51.4 Å²	51.4	8%	0.08	26%	0.263	C	S	.	.	H	α-helix	trans	-63.6	-37.5	177	-172.4	104.8	0	0	0	111.4	A440 I441 R447 L448 K508 L709	A440-D444 WeakPolarHBondContact O-CB 3.26Å; A440-D444 PolarHBondContact O-N 2.96Å; A440-D444 VanDerWaalsContact O-N 3.11Å; I441-D444 PolarHBondContact O-N 3.37Å; D444-R447 PolarHBondContact O-N 3.49Å; D444-L448 PolarHBondContact O-N 3.3Å; D444-K508 WeakPolarHBondContact OD2-CD 3.45Å; D444-K508 WeakPolarHBondContact OD2-CE 3.37Å; D444-K508 IonicContact OD2-NZ 3.15Å; D444-K508 PolarHBondContact OD2-NZ 3.12Å; D444-L709 HydrophobicContact CB-CD2 3.85Å
445	V	95.1	Very high	91.7	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-60	-45.4	171.1	163	0	0	0	0	111.9	I441 I442 E443 R447 L448 N451 L472 A507 K508	I441-V445 HydrophobicContact CG2-CG2 4.35Å; I441-V445 VanDerWaalsContact O-CB 3.31Å; I441-V445 WeakPolarHBondContact O-CB 3.42Å; I441-V445 WeakPolarHBondContact O-CG2 3.42Å; I441-V445 PolarHBondContact O-N 3Å; I442-V445 WeakPolarHBondContact O-CB 3.45Å; I442-V445 PolarHBondContact O-N 3.42Å; E443-V445 VanDerWaalsContact C-N 3.3Å; E443-V445 PolarHBondContact O-N 2.84Å; V445-R447 VanDerWaalsContact C-N 3.26Å; V445-R447 PolarHBondContact O-N 2.83Å; V445-L448 WeakPolarHBondContact O-CB 3.27Å; V445-L448 PolarHBondContact O-N 2.85Å; V445-N451 PolarHBondContact O-ND2 2.99Å; V445-L472 HydrophobicContact CG1-CD1 4.31Å; V445-L472 HydrophobicContact CG1-CD2 4.42Å; V445-A507 HydrophobicContact CG1-CB 3.78Å; V445-A507 HydrophobicContact CG2-CB 3.91Å; V445-K508 HydrophobicContact CG2-CB 4.07Å; V445-K508 HydrophobicContact CG2-CD 4.4Å
446	Q	94.3	Very high	92.7	Very high	77 Å²	77	44 Å²	44	36%	0.36	23%	0.226	S	C	.	.	H	α-helix	trans	-65.2	-30.4	177.2	-73.6	171.5	-50	0	0	112.2	I442 E443 L448 L472 L494	I442-Q446 WeakPolarHBondContact O-CG 3.33Å; I442-Q446 PolarHBondContact O-N 3.35Å; E443-Q446 PolarHBondContact O-N 3.18Å; Q446-L448 VanDerWaalsContact C-N 3.3Å; Q446-L448 PolarHBondContact O-N 2.77Å; Q446-L472 HydrophobicContact CG-CD1 4.45Å; Q446-L494 HydrophobicContact CG-CD1 4.06Å
447	R	92.8	Very high	93.5	Very high	153 Å²	153	41.3 Å²	41.3	58%	0.577	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.7	0.8	176.2	-63	170.2	-159.2	-152.9	14.4	114.1	E443 D444 V445 E712	E443-R447 VanDerWaalsContact O-CG 3.22Å; E443-R447 WeakPolarHBondContact O-CG 3.47Å; E443-R447 PolarHBondContact O-N 3.09Å; E443-R447 IonicContact OE2-NH2 2.68Å; E443-R447 PolarHBondContact OE2-NH2 3Å; D444-R447 PolarHBondContact O-N 3.49Å; V445-R447 VanDerWaalsContact C-N 3.26Å; V445-R447 PolarHBondContact O-N 2.83Å; R447-E712 IonicContact CZ-OE1 2.79Å; R447-E712 IonicContact NH1-OE1 2.75Å; R447-E712 PolarHBondContact NH1-OE1 3.2Å; R447-E712 IonicContact NH2-OE1 2.67Å
448	L	93.6	Very high	94.2	Very high	34 Å²	34	40.4 Å²	40.4	18%	0.178	22%	0.216	C	C	.	.	S	Bend	trans	-73.1	151.9	177.5	-68	177.9	0	0	0	112.9	D444 V445 Q446 G450 N451 A507	D444-L448 PolarHBondContact O-N 3.3Å; V445-L448 WeakPolarHBondContact O-CB 3.27Å; V445-L448 PolarHBondContact O-N 2.85Å; Q446-L448 VanDerWaalsContact C-N 3.3Å; Q446-L448 PolarHBondContact O-N 2.77Å; L448-G450 PolarHBondContact O-N 2.92Å; L448-N451 HydrophobicContact CB-CB 4.39Å; L448-N451 WeakPolarHBondContact O-CB 3.2Å; L448-N451 PolarHBondContact O-N 3.02Å; L448-A507 WeakPolarHBondContact CD1-O 3.47Å
449	P	93.8	Very high	94.6	Very high	89 Å²	89	41 Å²	41	58%	0.578	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.8	122.4	-179.4	-28	36.2	0	0	0	114.1	N451 N513	P449-N451 VanDerWaalsContact C-N 3.28Å; P449-N451 PolarHBondContact O-N 3.42Å; P449-N513 HydrophobicContact CB-CB 4.21Å; P449-N513 WeakPolarHBondContact O-CB 3.28Å; P449-N513 PolarHBondContact O-N 2.81Å; P449-N513 VanDerWaalsContact O-N 3.14Å
450	G	94.3	Very high	94.9	Very high	12 Å²	12	40.5 Å²	40.5	12%	0.124	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	81	-4.5	-179.6	0	0	0	0	0	114.8	L448 D452 I453 N512	L448-G450 PolarHBondContact O-N 2.92Å; G450-D452 WeakPolarHBondContact CA-OD1 3.1Å; G450-D452 PolarHBondContact N-OD1 3.48Å; G450-D452 PolarHBondContact O-N 3.42Å; G450-I453 WeakPolarHBondContact O-CG1 3.35Å; G450-I453 PolarHBondContact O-N 3.32Å; G450-N512 VanDerWaalsContact O-CB 3.22Å; G450-N512 WeakPolarHBondContact O-CB 3.36Å; G450-N512 PolarHBondContact O-ND2 3.31Å
451	N	97.1	Very high	95	Very high	4 Å²	4	46.3 Å²	46.3	2%	0.021	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-7.4	175.9	-80.2	6.6	0	0	0	112.8	V445 L448 P449 I453 P462 L472 N512	V445-N451 PolarHBondContact O-ND2 2.99Å; L448-N451 HydrophobicContact CB-CB 4.39Å; L448-N451 WeakPolarHBondContact O-CB 3.2Å; L448-N451 PolarHBondContact O-N 3.02Å; P449-N451 VanDerWaalsContact C-N 3.28Å; P449-N451 PolarHBondContact O-N 3.42Å; N451-I453 PolarHBondContact O-N 3.45Å; N451-P462 VanDerWaalsContact O-CD 3.26Å; N451-P462 WeakPolarHBondContact O-CD 3.47Å; N451-P462 WeakPolarHBondContact O-CG 3.49Å; N451-L472 HydrophobicContact CB-CD1 3.88Å; N451-L472 HydrophobicContact CB-CG 4.46Å; N451-N512 VanDerWaalsContact OD1-CB 3.29Å; N451-N512 WeakPolarHBondContact OD1-CB 3.34Å; N451-N512 PolarHBondContact OD1-N 3.48Å; N451-N512 PolarHBondContact OD1-OD1 3.41Å
452	D	96.1	Very high	95.2	Very high	99 Å²	99	46.5 Å²	46.5	53%	0.529	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-21.3	165.4	59.6	-61.1	0	0	0	113.2	G450 S460 E461	G450-D452 WeakPolarHBondContact CA-OD1 3.1Å; G450-D452 PolarHBondContact N-OD1 3.48Å; G450-D452 PolarHBondContact O-N 3.42Å; D452-S460 CarbonylContact O-C 3.49Å; D452-S460 WeakPolarHBondContact O-CA 3.49Å; D452-E461 PolarHBondContact O-N 3.46Å
453	I	97.2	Very high	95.3	Very high	75 Å²	75	46.4 Å²	46.4	39%	0.385	25%	0.25	S	S	.	.	B	Isolated β-bridge	trans	-130.1	145	179.1	56.2	167.8	0	0	0	112.8	G450 N451 C455 S459 N512	G450-I453 WeakPolarHBondContact O-CG1 3.35Å; G450-I453 PolarHBondContact O-N 3.32Å; N451-I453 PolarHBondContact O-N 3.45Å; I453-C455 PolarHBondContact O-N 3.49Å; I453-S459 CarbonylContact C-O 3.58Å; I453-S459 WeakPolarHBondContact CA-O 3.11Å; I453-N512 PolarHBondContact O-ND2 2.95Å
454	C	98.1	Very high	95.6	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.007	24%	0.236	C	C	.	.			trans	-56.8	126.1	176.9	173.4	0	0	0	0	111	D456 C457 G458 S459 P462 C474	C454-D456 PolarHBondContact O-N 3.47Å; C454-C457 PolarHBondContact O-N 3.1Å; C454-G458 PolarHBondContact O-N 3.02Å; C454-S459 WeakPolarHBondContact CB-O 3.37Å; C454-S459 PolarHBondContact N-O 2.92Å; C454-P462 HydrophobicContact CB-CB 4.19Å; C454-C474 HydrophobicContact CB-CB 4.01Å; C454-C474 PolarHBondContact SG-N 3.04Å
455	C	97.8	Very high	95.8	Very high	1 Å²	1	43 Å²	43	1%	0.007	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.2	-35.6	-175.5	-164.7	0	0	0	0	113.5	I453 I471 L472 T473 N512 N516 K529 K546	I453-C455 PolarHBondContact O-N 3.49Å; C455-I471 HydrophobicContact CB-CB 4.36Å; C455-I471 HydrophobicContact CB-CD1 4.32Å; C455-L472 WeakPolarHBondContact CB-O 3.49Å; C455-L472 PolarHBondContact N-O 3.01Å; C455-T473 HydrophobicContact CB-CG2 4.47Å; C455-N512 HydrophobicContact CB-CB 4.48Å; C455-N512 PolarHBondContact N-ND2 2.92Å; C455-N516 PolarHBondContact O-ND2 3.26Å; C455-N516 PolarHBondContact SG-OD1 2.98Å; C455-K529 WeakPolarHBondContact O-CE 3.37Å; C455-K529 PolarHBondContact O-NZ 3.3Å; C455-K546 PolarHBondContact O-NZ 3.44Å; C455-K546 PolarHBondContact SG-NZ 3.04Å; C455-K546 VanDerWaalsContact SG-NZ 3.35Å
456	D	97.9	Very high	95.9	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-34.7	-169.2	-46.8	-61.6	0	0	0	115.2	C454 T473 H481 K529 P530 Y542 I543 K546 Y547	C454-D456 PolarHBondContact O-N 3.47Å; D456-T473 WeakPolarHBondContact OD2-CG2 3.18Å; D456-H481 IonicContact OD2-NE2 2.66Å; D456-H481 PolarHBondContact OD2-NE2 3.47Å; D456-K529 WeakPolarHBondContact O-CE 3.06Å; D456-K529 WeakPolarHBondContact O-CG 3.31Å; D456-P530 WeakPolarHBondContact O-CD 3.24Å; D456-P530 WeakPolarHBondContact O-CG 3.41Å; D456-Y542 HydrophobicContact CB-CD1 4.43Å; D456-Y542 HydrophobicContact CB-CE1 4.27Å; D456-I543 HydrophobicContact CB-CD1 4.13Å; D456-I543 HydrophobicContact CB-CG1 3.89Å; D456-K546 WeakPolarHBondContact OD1-CD 3.47Å; D456-K546 WeakPolarHBondContact OD1-CE 3.2Å; D456-K546 IonicContact OD1-NZ 2.98Å; D456-K546 PolarHBondContact OD1-NZ 3.35Å; D456-Y547 WeakPolarHBondContact OD1-CE2 3.47Å; D456-Y547 VanDerWaalsContact OD1-CZ 3.31Å; D456-Y547 PolarHBondContact OD1-OH 2.64Å
457	C	96.6	Very high	96	Very high	3 Å²	3	39.5 Å²	39.5	2%	0.02	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120	-0	-176.1	72	0	0	0	0	115.6	C454 S459 C477 P530 T531 P532	C454-C457 PolarHBondContact O-N 3.1Å; C457-S459 PolarHBondContact O-N 2.85Å; C457-C477 PolarHBondContact SG-SG 2.88Å; C457-P530 CarbonylContact C-O 3.6Å; C457-P530 VanDerWaalsContact CA-O 3.29Å; C457-P530 WeakPolarHBondContact CA-O 3.24Å; C457-P530 HydrophobicContact CB-CB 4.31Å; C457-P530 HydrophobicContact CB-CG 3.97Å; C457-T531 CarbonylContact O-C 3.6Å; C457-P532 VanDerWaalsContact O-CD 3.22Å; C457-P532 WeakPolarHBondContact O-CD 3.49Å
458	G	95.5	Very high	96.1	Very high	33 Å²	33	32.2 Å²	32.2	34%	0.34	19%	0.189	S	C	.	.			trans	69.4	9.5	178.7	0	0	0	0	0	115.7	C454 S460	C454-G458 PolarHBondContact O-N 3.02Å; G458-S460 PolarHBondContact O-N 2.96Å
459	S	97.1	Very high	96.2	Very high	28 Å²	28	30.8 Å²	30.8	20%	0.196	18%	0.181	C	C	.	.			trans	-60.8	132	171.6	179.8	0	0	0	0	110.1	I453 C454 C457	I453-S459 CarbonylContact C-O 3.58Å; I453-S459 WeakPolarHBondContact CA-O 3.11Å; C454-S459 WeakPolarHBondContact CB-O 3.37Å; C454-S459 PolarHBondContact N-O 2.92Å; C457-S459 PolarHBondContact O-N 2.85Å
460	S	95.5	Very high	96.4	Very high	75 Å²	75	26.5 Å²	26.5	52%	0.524	15%	0.154	S	C	.	.	B	Isolated β-bridge	trans	-59.1	157.4	176.7	55.1	0	0	0	0	112.7	D452 G458	D452-S460 CarbonylContact O-C 3.49Å; D452-S460 WeakPolarHBondContact O-CA 3.49Å; G458-S460 PolarHBondContact O-N 2.96Å
461	E	90.4	Very high	96.5	Very high	161 Å²	161	26 Å²	26	75%	0.752	15%	0.148	S	C	*	.	S	Bend	trans	52.9	59.5	167.4	-62.1	169.3	128.7	0	0	114	D452 T463	D452-E461 PolarHBondContact O-N 3.46Å; E461-T463 PolarHBondContact O-N 3.16Å
462	P	96.7	Very high	96.6	Very high	3 Å²	3	25.8 Å²	25.8	2%	0.019	15%	0.147	C	C	.	.			trans	-72.6	109.7	-179.2	31.8	-38.5	0	0	0	113.4	N451 C454 L472 T473	N451-P462 VanDerWaalsContact O-CD 3.26Å; N451-P462 WeakPolarHBondContact O-CD 3.47Å; N451-P462 WeakPolarHBondContact O-CG 3.49Å; C454-P462 HydrophobicContact CB-CB 4.19Å; P462-L472 HydrophobicContact CB-CB 3.89Å; P462-L472 HydrophobicContact CG-CB 3.69Å; P462-L472 HydrophobicContact CG-CD1 4.48Å; P462-T473 CarbonylContact C-O 3.55Å; P462-T473 WeakPolarHBondContact CA-O 3.26Å; P462-T473 WeakPolarHBondContact CB-O 3.42Å
463	T	96.1	Very high	96.7	Very high	24 Å²	24	21 Å²	21	15%	0.147	12%	0.122	C	C	.	.			trans	-97.1	10.5	-177.1	70	0	0	0	0	115.7	E461 T473 L494 E495	E461-T463 PolarHBondContact O-N 3.16Å; T463-T473 PolarHBondContact N-O 3.04Å; T463-L494 PolarHBondContact O-N 3.46Å; T463-E495 WeakPolarHBondContact CB-OE2 3.46Å; T463-E495 HydrophobicContact CG2-CG 4.27Å; T463-E495 WeakPolarHBondContact CG2-OE2 3.3Å; T463-E495 PolarHBondContact OG1-OE2 3.11Å
464	W	97.6	Very high	96.7	Very high	31 Å²	31	17.9 Å²	17.9	12%	0.117	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	111.5	-179.5	-61.7	78.8	0	0	0	112.7	T473 I475 S478 I491 Q492 L496	W464-T473 WeakPolarHBondContact CB-O 3.37Å; W464-T473 PolarHBondContact N-O 3.12Å; W464-T473 PolarHBondContact O-N 3.16Å; W464-T473 PolarHBondContact O-OG1 3.07Å; W464-I475 HydrophobicContact CZ2-CD1 3.98Å; W464-I475 HydrophobicContact CZ2-CG1 3.93Å; W464-S478 VanDerWaalsContact CB-CB 3.47Å; W464-I491 HydrophobicContact CB-CG2 4.19Å; W464-I491 HydrophobicContact CD2-CG2 4.48Å; W464-I491 HydrophobicContact CE3-CG2 3.77Å; W464-Q492 CarbonylContact C-O 3.57Å; W464-Q492 WeakPolarHBondContact CA-O 3.34Å; W464-L496 HydrophobicContact CH2-CD1 3.92Å; W464-L496 HydrophobicContact CZ2-CD1 3.96Å
465	L	98.1	Very high	96.6	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	129.4	-177.6	169.1	59.3	0	0	0	111.9	T467 I471 L472 I491 Q492 L494 L499 L504 A507	L465-T467 HydrophobicContact CD2-CG2 3.85Å; L465-T467 HydrophobicContact CG-CG2 3.86Å; L465-T467 PolarHBondContact O-N 2.66Å; L465-I471 WeakPolarHBondContact CA-O 3.34Å; L465-L472 HydrophobicContact CB-CD2 3.86Å; L465-L472 HydrophobicContact CD1-CD2 3.96Å; L465-L472 HydrophobicContact CG-CD2 4.46Å; L465-I491 WeakPolarHBondContact O-CA 3.3Å; L465-Q492 PolarHBondContact N-O 2.92Å; L465-Q492 PolarHBondContact O-N 2.94Å; L465-L494 HydrophobicContact CB-CD2 3.94Å; L465-L494 HydrophobicContact CB-CG 4.42Å; L465-L494 HydrophobicContact CD2-CD2 4.06Å; L465-L499 HydrophobicContact CD2-CD1 4.3Å; L465-L504 HydrophobicContact CD2-CD2 3.98Å; L465-A507 HydrophobicContact CD1-CB 3.64Å; L465-A507 HydrophobicContact CD2-CB 4.1Å
466	S	97.8	Very high	96.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	97	161.9	-173.2	0	0	0	0	110	N468 L469 G470 I471 S489	S466-N468 VanDerWaalsContact C-N 3.26Å; S466-N468 PolarHBondContact O-N 2.96Å; S466-N468 VanDerWaalsContact O-N 3.15Å; S466-N468 PolarHBondContact OG-OD1 2.53Å; S466-N468 VanDerWaalsContact OG-OD1 3.07Å; S466-L469 PolarHBondContact O-N 3.19Å; S466-G470 PolarHBondContact O-N 2.88Å; S466-I471 PolarHBondContact N-O 2.94Å; S466-S489 WeakPolarHBondContact CB-OG 3.28Å; S466-S489 PolarHBondContact OG-OG 3.48Å
467	T	95.3	Very high	96.5	Very high	4 Å²	4	27.2 Å²	27.2	3%	0.025	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-22.5	-168.8	51.9	0	0	0	0	114.9	L465 R490 Q492 E503 L506 Q625	L465-T467 HydrophobicContact CD2-CG2 3.85Å; L465-T467 HydrophobicContact CG-CG2 3.86Å; L465-T467 PolarHBondContact O-N 2.66Å; T467-R490 PolarHBondContact N-O 3.41Å; T467-R490 WeakPolarHBondContact OG1-CB 3.2Å; T467-R490 PolarHBondContact OG1-O 2.94Å; T467-R490 VanDerWaalsContact OG1-O 3.06Å; T467-Q492 HydrophobicContact CG2-CB 4.47Å; T467-Q492 HydrophobicContact CG2-CG 4.42Å; T467-E503 HydrophobicContact CG2-CB 4.14Å; T467-L506 WeakPolarHBondContact O-CD1 3.41Å; T467-Q625 PolarHBondContact O-NE2 2.92Å
468	N	95.1	Very high	96.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-12	174.3	68.8	-56.9	0	0	0	114.5	S466 I488 S489 R490 L506 Q625 N626	S466-N468 VanDerWaalsContact C-N 3.26Å; S466-N468 PolarHBondContact O-N 2.96Å; S466-N468 VanDerWaalsContact O-N 3.15Å; S466-N468 PolarHBondContact OG-OD1 2.53Å; S466-N468 VanDerWaalsContact OG-OD1 3.07Å; N468-I488 PolarHBondContact ND2-O 3.27Å; N468-S489 WeakPolarHBondContact OD1-CA 3.1Å; N468-R490 HydrophobicContact CB-CB 4.44Å; N468-R490 HydrophobicContact CB-CG 4.19Å; N468-R490 PolarHBondContact OD1-N 3.16Å; N468-L506 WeakPolarHBondContact O-CD1 3.41Å; N468-Q625 HydrophobicContact CB-CB 3.75Å; N468-N626 PolarHBondContact ND2-OD1 3.35Å; N468-N626 PolarHBondContact O-ND2 3Å
469	L	96.5	Very high	96.5	Very high	3 Å²	3	27 Å²	27	2%	0.016	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.1	-22.1	-175.1	-61.3	179.9	0	0	0	113.1	S466 I471 F515 Y547 Y583	S466-L469 PolarHBondContact O-N 3.19Å; L469-I471 HydrophobicContact CB-CD1 4.32Å; L469-I471 HydrophobicContact CB-CG1 3.95Å; L469-I471 HydrophobicContact CD1-CD1 4.12Å; L469-F515 HydrophobicContact CB-CE2 4.17Å; L469-F515 HydrophobicContact CB-CZ 4.42Å; L469-F515 HydrophobicContact CD1-CZ 4.35Å; L469-F515 HydrophobicContact CD2-CE2 4.48Å; L469-Y547 HydrophobicContact CD1-CD1 3.76Å; L469-Y547 HydrophobicContact CD1-CE1 3.78Å; L469-Y583 HydrophobicContact CD2-CE1 4.46Å
470	G	96.8	Very high	96.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.2	21.5	179.5	0	0	0	0	0	115.2	S466	S466-G470 PolarHBondContact O-N 2.88Å
471	I	98.2	Very high	96.6	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	153	-175.8	59.4	170	0	0	0	113.2	C455 L465 S466 L469 N512 F515 Y547	C455-I471 HydrophobicContact CB-CB 4.36Å; C455-I471 HydrophobicContact CB-CD1 4.32Å; L465-I471 WeakPolarHBondContact CA-O 3.34Å; S466-I471 PolarHBondContact N-O 2.94Å; L469-I471 HydrophobicContact CB-CD1 4.32Å; L469-I471 HydrophobicContact CB-CG1 3.95Å; L469-I471 HydrophobicContact CD1-CD1 4.12Å; I471-N512 WeakPolarHBondContact CA-OD1 3.35Å; I471-N512 VanDerWaalsContact CB-OD1 3.27Å; I471-N512 WeakPolarHBondContact CB-OD1 3.14Å; I471-F515 HydrophobicContact CD1-CE1 4.15Å; I471-F515 HydrophobicContact CD1-CZ 4.43Å; I471-F515 HydrophobicContact CG2-CB 3.64Å; I471-F515 HydrophobicContact CG2-CD1 3.62Å; I471-F515 HydrophobicContact CG2-CD2 3.66Å; I471-F515 HydrophobicContact CG2-CE1 4.14Å; I471-F515 HydrophobicContact CG2-CE2 4.18Å; I471-F515 HydrophobicContact CG2-CG 3.35Å; I471-F515 HydrophobicContact CG2-CZ 4.4Å; I471-Y547 HydrophobicContact CD1-CE1 3.68Å; I471-Y547 WeakPolarHBondContact CD1-OH 3.44Å
472	L	98.4	Very high	96.9	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	134.7	176	-56.2	-169.9	0	0	0	112.1	V445 Q446 N451 C455 P462 L465 L494 N512	V445-L472 HydrophobicContact CG1-CD1 4.31Å; V445-L472 HydrophobicContact CG1-CD2 4.42Å; Q446-L472 HydrophobicContact CG-CD1 4.45Å; N451-L472 HydrophobicContact CB-CD1 3.88Å; N451-L472 HydrophobicContact CB-CG 4.46Å; C455-L472 WeakPolarHBondContact CB-O 3.49Å; C455-L472 PolarHBondContact N-O 3.01Å; P462-L472 HydrophobicContact CB-CB 3.89Å; P462-L472 HydrophobicContact CG-CB 3.69Å; P462-L472 HydrophobicContact CG-CD1 4.48Å; L465-L472 HydrophobicContact CB-CD2 3.86Å; L465-L472 HydrophobicContact CD1-CD2 3.96Å; L465-L472 HydrophobicContact CG-CD2 4.46Å; L472-L494 HydrophobicContact CD1-CD1 4.01Å; L472-L494 HydrophobicContact CD2-CD1 3.9Å; L472-L494 HydrophobicContact CD2-CG 4.45Å; L472-N512 PolarHBondContact N-OD1 2.79Å; L472-N512 PolarHBondContact O-ND2 2.8Å; L472-N512 PolarHBondContact O-OD1 2.62Å
473	T	98.3	Very high	96.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	155.1	-178.7	60.3	0	0	0	0	111.4	C455 D456 P462 T463 W464 S478	C455-T473 HydrophobicContact CB-CG2 4.47Å; D456-T473 WeakPolarHBondContact OD2-CG2 3.18Å; P462-T473 CarbonylContact C-O 3.55Å; P462-T473 WeakPolarHBondContact CA-O 3.26Å; P462-T473 WeakPolarHBondContact CB-O 3.42Å; T463-T473 PolarHBondContact N-O 3.04Å; W464-T473 WeakPolarHBondContact CB-O 3.37Å; W464-T473 PolarHBondContact N-O 3.12Å; W464-T473 PolarHBondContact O-N 3.16Å; W464-T473 PolarHBondContact O-OG1 3.07Å; T473-S478 WeakPolarHBondContact OG1-CB 3.12Å
474	C	97.5	Very high	96.8	Very high	9 Å²	9	26.3 Å²	26.3	6%	0.061	13%	0.128	C	C	.	.			trans	-77.6	162.6	169.4	72.1	0	0	0	0	110.8	C454 E476 C477 S478	C454-C474 HydrophobicContact CB-CB 4.01Å; C454-C474 PolarHBondContact SG-N 3.04Å; C474-E476 VanDerWaalsContact C-N 3.27Å; C474-E476 PolarHBondContact O-N 3.46Å; C474-E476 VanDerWaalsContact O-N 3.13Å; C474-C477 PolarHBondContact O-N 3.37Å; C474-S478 WeakPolarHBondContact O-CB 3.44Å; C474-S478 PolarHBondContact O-N 3.27Å
475	I	95.4	Very high	96.5	Very high	113 Å²	113	25.8 Å²	25.8	58%	0.579	13%	0.133	S	C	*	.	H	α-helix	trans	-52.1	-40.5	-173.9	-170.5	167.6	0	0	0	114	W464 S478 G479	W464-I475 HydrophobicContact CZ2-CD1 3.98Å; W464-I475 HydrophobicContact CZ2-CG1 3.93Å; I475-S478 PolarHBondContact O-OG 3.1Å; I475-G479 PolarHBondContact O-N 2.83Å; I475-G479 VanDerWaalsContact O-N 3.14Å
476	E	96.4	Very high	96.1	Very high	85 Å²	85	30.9 Å²	30.9	40%	0.397	16%	0.164	S	C	.	.	H	α-helix	trans	-69.9	-46	-179.1	-62.5	170.7	121	0	0	112.6	C474 S478 G479 M536 R539	C474-E476 VanDerWaalsContact C-N 3.27Å; C474-E476 PolarHBondContact O-N 3.46Å; C474-E476 VanDerWaalsContact O-N 3.13Å; E476-S478 VanDerWaalsContact C-N 3.33Å; E476-G479 PolarHBondContact O-N 3.45Å; E476-M536 HydrophobicContact CB-SD 4.12Å; E476-R539 VanDerWaalsContact CB-NH1 3.33Å; E476-R539 IonicContact OE1-NH2 2.72Å; E476-R539 IonicContact OE2-CZ 3.82Å; E476-R539 IonicContact OE2-NH1 3.84Å; E476-R539 PolarHBondContact OE2-NH1 3.44Å; E476-R539 IonicContact OE2-NH2 2.62Å; E476-R539 PolarHBondContact OE2-NH2 3.03Å
477	C	97.6	Very high	95.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-65.9	-38.6	175	-68.2	0	0	0	0	111	C457 C474 G479 I480 H481 I543	C457-C477 PolarHBondContact SG-SG 2.88Å; C474-C477 PolarHBondContact O-N 3.37Å; C477-G479 PolarHBondContact O-N 3.38Å; C477-I480 WeakPolarHBondContact O-CB 3.45Å; C477-I480 PolarHBondContact O-N 3.02Å; C477-H481 PolarHBondContact O-CD2 3.41Å; C477-H481 VanDerWaalsContact O-CD2 3.29Å; C477-H481 PolarHBondContact O-N 3.17Å; C477-I543 HydrophobicContact CB-CD1 3.85Å
478	S	97.4	Very high	95.5	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.021	20%	0.199	C	C	.	.	H	α-helix	trans	-59.8	-32.5	175.7	94.8	0	0	0	0	112.4	W464 T473 C474 I475 E476 H481 R482	W464-S478 VanDerWaalsContact CB-CB 3.47Å; T473-S478 WeakPolarHBondContact OG1-CB 3.12Å; C474-S478 WeakPolarHBondContact O-CB 3.44Å; C474-S478 PolarHBondContact O-N 3.27Å; I475-S478 PolarHBondContact O-OG 3.1Å; E476-S478 VanDerWaalsContact C-N 3.33Å; S478-H481 PolarHBondContact O-N 2.99Å; S478-R482 WeakPolarHBondContact O-CG 3.32Å; S478-R482 PolarHBondContact O-N 3.08Å; S478-R482 VanDerWaalsContact O-N 3.07Å
479	G	95.3	Very high	95.5	Very high	29 Å²	29	38.5 Å²	38.5	30%	0.299	20%	0.199	S	C	.	.	H	α-helix	trans	-60.9	-46.3	172.5	0	0	0	0	0	112.7	I475 E476 C477 H481 R482 E483	I475-G479 PolarHBondContact O-N 2.83Å; I475-G479 VanDerWaalsContact O-N 3.14Å; E476-G479 PolarHBondContact O-N 3.45Å; C477-G479 PolarHBondContact O-N 3.38Å; G479-H481 VanDerWaalsContact C-N 3.34Å; G479-H481 PolarHBondContact O-N 2.96Å; G479-R482 WeakPolarHBondContact O-CB 3.45Å; G479-R482 PolarHBondContact O-N 3.41Å; G479-E483 PolarHBondContact O-N 2.96Å
480	I	97.4	Very high	95.4	Very high	3 Å²	3	41.7 Å²	41.7	2%	0.015	21%	0.211	C	C	.	.	H	α-helix	trans	-65.1	-39.4	176.5	-61.3	162.6	0	0	0	110.7	C477 R482 E483 M484 M536 R539 K540 I543	C477-I480 WeakPolarHBondContact O-CB 3.45Å; C477-I480 PolarHBondContact O-N 3.02Å; I480-R482 VanDerWaalsContact C-N 3.26Å; I480-R482 PolarHBondContact O-N 3.18Å; I480-E483 WeakPolarHBondContact O-CA 3.26Å; I480-E483 WeakPolarHBondContact O-CB 3.36Å; I480-E483 PolarHBondContact O-N 3.05Å; I480-M484 PolarHBondContact O-N 3.43Å; I480-M484 VanDerWaalsContact O-N 3.13Å; I480-M536 HydrophobicContact CD1-CE 3.75Å; I480-M536 HydrophobicContact CG1-CE 3.77Å; I480-R539 HydrophobicContact CD1-CB 3.61Å; I480-K540 HydrophobicContact CD1-CB 4.12Å; I480-K540 HydrophobicContact CG1-CB 4.39Å; I480-K540 HydrophobicContact CG2-CB 4.22Å; I480-K540 HydrophobicContact CG2-CG 4.13Å; I480-I543 HydrophobicContact CB-CD1 4.16Å; I480-I543 HydrophobicContact CB-CG2 4.47Å; I480-I543 HydrophobicContact CD1-CD1 3.91Å; I480-I543 HydrophobicContact CG2-CB 4.01Å; I480-I543 HydrophobicContact CG2-CD1 4.2Å; I480-I543 HydrophobicContact CG2-CG2 3.66Å
481	H	97.2	Very high	95.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-61.2	-33	174.5	-83	-120	0	0	0	113.2	D456 C477 S478 G479 E483 M484 G485 S489 I491 Y547	D456-H481 IonicContact OD2-NE2 2.66Å; D456-H481 PolarHBondContact OD2-NE2 3.47Å; C477-H481 PolarHBondContact O-CD2 3.41Å; C477-H481 VanDerWaalsContact O-CD2 3.29Å; C477-H481 PolarHBondContact O-N 3.17Å; S478-H481 PolarHBondContact O-N 2.99Å; G479-H481 VanDerWaalsContact C-N 3.34Å; G479-H481 PolarHBondContact O-N 2.96Å; H481-E483 VanDerWaalsContact C-N 3.35Å; H481-M484 HydrophobicContact CB-CE 4.22Å; H481-M484 PolarHBondContact O-N 2.96Å; H481-G485 PolarHBondContact O-N 2.94Å; H481-S489 WeakPolarHBondContact ND1-CB 3.39Å; H481-S489 PolarHBondContact ND1-OG 3.27Å; H481-I491 HydrophobicContact CB-CD1 3.56Å; H481-I491 HydrophobicContact CB-CG1 3.45Å; H481-I491 VanDerWaalsContact CB-CG1 3.45Å; H481-Y547 AromaticContact CE1-CD2 3.72Å; H481-Y547 AromaticContact CE1-CE1 3.95Å; H481-Y547 AromaticContact CE1-CE2 3.34Å; H481-Y547 WeakPolarHBondContact CE1-CE2 3.49Å; H481-Y547 AromaticContact CE1-CZ 3.47Å; H481-Y547 VanDerWaalsContact CE1-CZ 3.47Å; H481-Y547 AromaticContact NE2-CD2 3.74Å; H481-Y547 AromaticContact NE2-CE2 3.28Å; H481-Y547 VanDerWaalsContact NE2-CE2 3.28Å; H481-Y547 WeakPolarHBondContact NE2-CE2 3.4Å; H481-Y547 AromaticContact NE2-CZ 3.82Å
482	R	96.2	Very high	95.3	Very high	121 Å²	121	44.2 Å²	44.2	46%	0.457	22%	0.223	S	C	.	.	H	α-helix	trans	-68.1	-32.8	171.5	-66.8	177	-172.9	-68.9	4.1	112.5	S478 G479 I480 G485 I491	S478-R482 WeakPolarHBondContact O-CG 3.32Å; S478-R482 PolarHBondContact O-N 3.08Å; S478-R482 VanDerWaalsContact O-N 3.07Å; G479-R482 WeakPolarHBondContact O-CB 3.45Å; G479-R482 PolarHBondContact O-N 3.41Å; I480-R482 VanDerWaalsContact C-N 3.26Å; I480-R482 PolarHBondContact O-N 3.18Å; R482-G485 PolarHBondContact O-N 3.02Å; R482-I491 HydrophobicContact CG-CB 4.01Å; R482-I491 HydrophobicContact CG-CG1 4.25Å; R482-I491 PolarHBondContact NH1-O 3.49Å; R482-I491 PolarHBondContact NH2-O 2.71Å
483	E	95.4	Very high	95.1	Very high	129 Å²	129	44.2 Å²	44.2	60%	0.603	22%	0.223	S	C	*	.	H	α-helix	trans	-69.3	-32.1	175.3	-65.6	-175.3	-161.7	0	0	113.1	G479 I480 H481 G485 K540	G479-E483 PolarHBondContact O-N 2.96Å; I480-E483 WeakPolarHBondContact O-CA 3.26Å; I480-E483 WeakPolarHBondContact O-CB 3.36Å; I480-E483 PolarHBondContact O-N 3.05Å; H481-E483 VanDerWaalsContact C-N 3.35Å; E483-G485 PolarHBondContact O-N 2.98Å; E483-K540 WeakPolarHBondContact OE2-CE 3.4Å; E483-K540 IonicContact OE2-NZ 3.36Å; E483-K540 PolarHBondContact OE2-NZ 3.21Å
484	M	94.4	Very high	94.8	Very high	22 Å²	22	44.9 Å²	44.9	11%	0.108	23%	0.227	C	C	.	.	H	α-helix	trans	-66.5	-27.9	172.5	-63.2	-166	-68.4	0	0	112.5	I480 H481 H487 I488 I543 Y547 V548	I480-M484 PolarHBondContact O-N 3.43Å; I480-M484 VanDerWaalsContact O-N 3.13Å; H481-M484 HydrophobicContact CB-CE 4.22Å; H481-M484 PolarHBondContact O-N 2.96Å; M484-H487 PolarHBondContact O-CE1 3.3Å; M484-I488 HydrophobicContact CB-CB 4.21Å; M484-I488 HydrophobicContact CB-CD1 4.36Å; M484-I488 HydrophobicContact CB-CG2 4.34Å; M484-I488 HydrophobicContact CE-CG2 4.39Å; M484-I488 HydrophobicContact SD-CG2 4.28Å; M484-I543 HydrophobicContact CE-CG2 3.5Å; M484-I543 VanDerWaalsContact CE-CG2 3.5Å; M484-I543 HydrophobicContact SD-CG2 3.85Å; M484-Y547 HydrophobicContact CE-CD2 3.87Å; M484-Y547 HydrophobicContact CE-CG 4.01Å; M484-V548 HydrophobicContact CG-CG2 4.31Å; M484-V548 HydrophobicContact SD-CG2 3.67Å
485	G	91.4	Very high	94.3	Very high	20 Å²	20	50.7 Å²	50.7	21%	0.206	25%	0.253	C	S	.	.			trans	89.7	161.7	172.6	0	0	0	0	0	115.1	H481 R482 E483 H487 I488 S489	H481-G485 PolarHBondContact O-N 2.94Å; R482-G485 PolarHBondContact O-N 3.02Å; E483-G485 PolarHBondContact O-N 2.98Å; G485-H487 PolarHBondContact O-N 2.98Å; G485-I488 PolarHBondContact O-N 3Å; G485-S489 CarbonylContact C-O 3.58Å; G485-S489 PolarHBondContact O-N 3.43Å
486	V	89.9	Confident	93.9	Very high	108 Å²	108	51 Å²	51	66%	0.655	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-2.2	-166.6	-58.8	0	0	0	0	116.6	S489 R490	V486-S489 WeakPolarHBondContact CA-O 3.43Å; V486-R490 HydrophobicContact CB-CG 4.28Å; V486-R490 WeakPolarHBondContact O-CG 3.46Å; V486-R490 PolarHBondContact O-NE 2.72Å
487	H	87.2	Confident	93.5	Very high	137 Å²	137	50 Å²	50	63%	0.634	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	-11	173.2	67.1	-72.5	0	0	0	112.5	M484 G485	M484-H487 PolarHBondContact O-CE1 3.3Å; G485-H487 PolarHBondContact O-N 2.98Å
488	I	92.8	Very high	92.9	Very high	24 Å²	24	57 Å²	57	12%	0.123	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.2	-47.9	175.5	-51.9	-172	0	0	0	109.7	N468 M484 G485 Y547 V548	N468-I488 PolarHBondContact ND2-O 3.27Å; M484-I488 HydrophobicContact CB-CB 4.21Å; M484-I488 HydrophobicContact CB-CD1 4.36Å; M484-I488 HydrophobicContact CB-CG2 4.34Å; M484-I488 HydrophobicContact CE-CG2 4.39Å; M484-I488 HydrophobicContact SD-CG2 4.28Å; G485-I488 PolarHBondContact O-N 3Å; I488-Y547 WeakPolarHBondContact CG2-O 3.42Å; I488-V548 HydrophobicContact CD1-CG1 4.33Å; I488-V548 HydrophobicContact CD1-CG2 3.92Å
489	S	96.1	Very high	92.5	Very high	2 Å²	2	57.4 Å²	57.4	1%	0.014	29%	0.285	C	S	.	.			trans	-144.8	135.8	178.9	-177.2	0	0	0	0	113	S466 N468 H481 G485 V486 I491	S466-S489 WeakPolarHBondContact CB-OG 3.28Å; S466-S489 PolarHBondContact OG-OG 3.48Å; N468-S489 WeakPolarHBondContact OD1-CA 3.1Å; H481-S489 WeakPolarHBondContact ND1-CB 3.39Å; H481-S489 PolarHBondContact ND1-OG 3.27Å; G485-S489 CarbonylContact C-O 3.58Å; G485-S489 PolarHBondContact O-N 3.43Å; V486-S489 WeakPolarHBondContact CA-O 3.43Å; S489-I491 WeakPolarHBondContact OG-CD1 3.37Å
490	R	95.2	Very high	92.2	Very high	71 Å²	71	56.5 Å²	56.5	27%	0.268	28%	0.276	S	S	.	.			trans	-115.5	84.6	-176.4	-62.8	-174.9	-173.5	171.6	-2.3	111	T467 N468 V486 Q625	T467-R490 PolarHBondContact N-O 3.41Å; T467-R490 WeakPolarHBondContact OG1-CB 3.2Å; T467-R490 PolarHBondContact OG1-O 2.94Å; T467-R490 VanDerWaalsContact OG1-O 3.06Å; N468-R490 HydrophobicContact CB-CB 4.44Å; N468-R490 HydrophobicContact CB-CG 4.19Å; N468-R490 PolarHBondContact OD1-N 3.16Å; V486-R490 HydrophobicContact CB-CG 4.28Å; V486-R490 WeakPolarHBondContact O-CG 3.46Å; V486-R490 PolarHBondContact O-NE 2.72Å; R490-Q625 VanDerWaalsContact CZ-O 3.26Å; R490-Q625 VanDerWaalsContact NH1-OE1 3.08Å; R490-Q625 PolarHBondContact NH2-O 3.4Å
491	I	96.6	Very high	92	Very high	10 Å²	10	56.4 Å²	56.4	5%	0.051	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	126.7	-174.1	-58.5	-63.4	0	0	0	112.8	W464 L465 H481 R482 S489	W464-I491 HydrophobicContact CB-CG2 4.19Å; W464-I491 HydrophobicContact CD2-CG2 4.48Å; W464-I491 HydrophobicContact CE3-CG2 3.77Å; L465-I491 WeakPolarHBondContact O-CA 3.3Å; H481-I491 HydrophobicContact CB-CD1 3.56Å; H481-I491 HydrophobicContact CB-CG1 3.45Å; H481-I491 VanDerWaalsContact CB-CG1 3.45Å; R482-I491 HydrophobicContact CG-CB 4.01Å; R482-I491 HydrophobicContact CG-CG1 4.25Å; R482-I491 PolarHBondContact NH1-O 3.49Å; R482-I491 PolarHBondContact NH2-O 2.71Å; S489-I491 WeakPolarHBondContact OG-CD1 3.37Å
492	Q	94.9	Very high	91.7	Very high	42 Å²	42	56.4 Å²	56.4	20%	0.196	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	157.3	163.4	-63.6	-176.7	-92.1	0	0	109.6	W464 L465 T467 D497 L499	W464-Q492 CarbonylContact C-O 3.57Å; W464-Q492 WeakPolarHBondContact CA-O 3.34Å; L465-Q492 PolarHBondContact N-O 2.92Å; L465-Q492 PolarHBondContact O-N 2.94Å; T467-Q492 HydrophobicContact CG2-CB 4.47Å; T467-Q492 HydrophobicContact CG2-CG 4.42Å; Q492-D497 VanDerWaalsContact CA-OD2 3.32Å; Q492-D497 WeakPolarHBondContact CA-OD2 3.16Å; Q492-D497 HydrophobicContact CB-CB 4.16Å; Q492-L499 HydrophobicContact CB-CD2 3.76Å; Q492-L499 HydrophobicContact CG-CD2 4.31Å
493	S	94.3	Very high	91.6	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	142.5	172.3	178.4	0	0	0	0	111	E495 L496 D497	S493-E495 PolarHBondContact O-N 3.3Å; S493-E495 PolarHBondContact OG-N 3.22Å; S493-L496 PolarHBondContact OG-N 2.95Å; S493-D497 PolarHBondContact N-OD2 3.27Å
494	L	92.4	Very high	91.5	Very high	14 Å²	14	44.9 Å²	44.9	7%	0.073	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-20.2	168.3	-62.9	-179.4	0	0	0	112.6	I442 Q446 T463 L465 L472 L499 L504	I442-L494 HydrophobicContact CG1-CD2 4.39Å; I442-L494 HydrophobicContact CG2-CB 4.22Å; I442-L494 HydrophobicContact CG2-CD1 4.28Å; I442-L494 HydrophobicContact CG2-CD2 4.41Å; Q446-L494 HydrophobicContact CG-CD1 4.06Å; T463-L494 PolarHBondContact O-N 3.46Å; L465-L494 HydrophobicContact CB-CD2 3.94Å; L465-L494 HydrophobicContact CB-CG 4.42Å; L465-L494 HydrophobicContact CD2-CD2 4.06Å; L472-L494 HydrophobicContact CD1-CD1 4.01Å; L472-L494 HydrophobicContact CD2-CD1 3.9Å; L472-L494 HydrophobicContact CD2-CG 4.45Å; L494-L499 HydrophobicContact CD2-CD1 3.77Å; L494-L504 HydrophobicContact CD2-CD2 4.17Å
495	E	87.6	Confident	91.5	Very high	132 Å²	132	43.8 Å²	43.8	62%	0.617	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.8	-36.5	-171.7	-56.8	169.3	119	0	0	112.8	T463 S493	T463-E495 WeakPolarHBondContact CB-OE2 3.46Å; T463-E495 HydrophobicContact CG2-CG 4.27Å; T463-E495 WeakPolarHBondContact CG2-OE2 3.3Å; T463-E495 PolarHBondContact OG1-OE2 3.11Å; S493-E495 PolarHBondContact O-N 3.3Å; S493-E495 PolarHBondContact OG-N 3.22Å
496	L	85.9	Confident	91.7	Very high	118 Å²	118	42.9 Å²	42.9	62%	0.618	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.4	-22.7	-170.7	-53.7	175.9	0	0	0	114	W464 S493	W464-L496 HydrophobicContact CH2-CD1 3.92Å; W464-L496 HydrophobicContact CZ2-CD1 3.96Å; S493-L496 PolarHBondContact OG-N 2.95Å
497	D	88.1	Confident	92	Very high	66 Å²	66	37.8 Å²	37.8	35%	0.353	18%	0.181	S	C	.	.	S	Bend	trans	-103.3	142.3	178.2	-72.5	-62	0	0	0	110.7	Q492 S493 L499	Q492-D497 VanDerWaalsContact CA-OD2 3.32Å; Q492-D497 WeakPolarHBondContact CA-OD2 3.16Å; Q492-D497 HydrophobicContact CB-CB 4.16Å; S493-D497 PolarHBondContact N-OD2 3.27Å; D497-L499 HydrophobicContact CB-CD2 4.27Å; D497-L499 PolarHBondContact O-N 2.97Å; D497-L499 VanDerWaalsContact O-N 3.15Å
498	K	85.8	Confident	92.4	Very high	147 Å²	147	32.5 Å²	32.5	64%	0.639	16%	0.156	S	C	*	.			trans	-83.5	92.4	174.5	-174.9	166	-174.9	163.4	0	110.8	E435	E435-K498 IonicContact OE1-NZ 3.2Å; E435-K498 PolarHBondContact OE1-NZ 3.4Å
499	L	88.5	Confident	92.4	Very high	11 Å²	11	33.8 Å²	33.8	6%	0.058	16%	0.163	C	C	.	.			trans	-74.1	140.8	176.3	-53.3	-179.3	0	0	0	111.8	L465 Q492 L494 D497 E503 L504	L465-L499 HydrophobicContact CD2-CD1 4.3Å; Q492-L499 HydrophobicContact CB-CD2 3.76Å; Q492-L499 HydrophobicContact CG-CD2 4.31Å; L494-L499 HydrophobicContact CD2-CD1 3.77Å; D497-L499 HydrophobicContact CB-CD2 4.27Å; D497-L499 PolarHBondContact O-N 2.97Å; D497-L499 VanDerWaalsContact O-N 3.15Å; L499-E503 HydrophobicContact CB-CB 4.43Å; L499-E503 HydrophobicContact CD2-CB 4.3Å; L499-L504 HydrophobicContact CB-CG 4.49Å; L499-L504 HydrophobicContact CD1-CD2 3.71Å; L499-L504 HydrophobicContact CD1-CG 4.4Å
500	G	89.3	Confident	92.4	Very high	10 Å²	10	34 Å²	34	10%	0.103	16%	0.164	C	C	.	.			trans	-87.9	173.2	159.1	0	0	0	0	0	112.2	S502 E503	G500-S502 PolarHBondContact O-N 3.33Å; G500-E503 VanDerWaalsContact C-OE2 3.26Å; G500-E503 WeakPolarHBondContact CA-OE2 3.34Å; G500-E503 PolarHBondContact N-OE1 3.42Å; G500-E503 PolarHBondContact N-OE2 3.46Å; G500-E503 PolarHBondContact O-N 2.99Å
501	T	92.2	Very high	92.4	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.006	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-19.2	176.5	70.4	0	0	0	0	112.5	L434 L437 I441 H702 V703 W707	L434-T501 HydrophobicContact CD1-CG2 4.26Å; L437-T501 HydrophobicContact CD2-CG2 4.46Å; I441-T501 HydrophobicContact CD1-CG2 3.83Å; T501-H702 WeakPolarHBondContact CG2-ND1 3.48Å; T501-H702 PolarHBondContact OG1-ND1 3.49Å; T501-V703 PolarHBondContact OG1-N 3.24Å; T501-V703 VanDerWaalsContact OG1-N 3.17Å; T501-W707 WeakPolarHBondContact O-CH2 3.48Å; T501-W707 WeakPolarHBondContact O-CZ2 3.46Å
502	S	91.6	Very high	92.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-34	174.5	78.5	0	0	0	0	112.9	G500 L504 R658 V701	G500-S502 PolarHBondContact O-N 3.33Å; S502-L504 VanDerWaalsContact C-N 3.34Å; S502-R658 VanDerWaalsContact OG-CD 3.22Å; S502-R658 WeakPolarHBondContact OG-CD 3.47Å; S502-V701 WeakPolarHBondContact CB-O 3.4Å
503	E	93.4	Very high	92.5	Very high	7 Å²	7	32 Å²	32	3%	0.033	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-24.8	-178.1	-63.4	92	126.7	0	0	112.6	T467 L499 G500 H700	T467-E503 HydrophobicContact CG2-CB 4.14Å; L499-E503 HydrophobicContact CB-CB 4.43Å; L499-E503 HydrophobicContact CD2-CB 4.3Å; G500-E503 VanDerWaalsContact C-OE2 3.26Å; G500-E503 WeakPolarHBondContact CA-OE2 3.34Å; G500-E503 PolarHBondContact N-OE1 3.42Å; G500-E503 PolarHBondContact N-OE2 3.46Å; G500-E503 PolarHBondContact O-N 2.99Å; E503-H700 IonicContact OE1-CD2 2.7Å; E503-H700 PolarHBondContact OE1-CD2 2.78Å; E503-H700 IonicContact OE1-CG 3.42Å
504	L	94.6	Very high	92.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-9.4	179.4	-64.1	170.4	0	0	0	113.6	T438 I441 I442 L465 L494 L499 S502 L506 A507 K508	T438-L504 HydrophobicContact CG2-CD1 3.75Å; I441-L504 HydrophobicContact CB-CD1 4.02Å; I441-L504 HydrophobicContact CG2-CB 3.73Å; I441-L504 HydrophobicContact CG2-CD1 3.74Å; I441-L504 HydrophobicContact CG2-CG 4.3Å; I442-L504 HydrophobicContact CD1-CD1 4.34Å; I442-L504 HydrophobicContact CG1-CD1 3.74Å; I442-L504 HydrophobicContact CG1-CD2 3.76Å; I442-L504 HydrophobicContact CG1-CG 4.43Å; L465-L504 HydrophobicContact CD2-CD2 3.98Å; L494-L504 HydrophobicContact CD2-CD2 4.17Å; L499-L504 HydrophobicContact CB-CG 4.49Å; L499-L504 HydrophobicContact CD1-CD2 3.71Å; L499-L504 HydrophobicContact CD1-CG 4.4Å; S502-L504 VanDerWaalsContact C-N 3.34Å; L504-L506 PolarHBondContact O-N 3.3Å; L504-A507 WeakPolarHBondContact O-CB 3.44Å; L504-A507 PolarHBondContact O-N 3.29Å; L504-A507 VanDerWaalsContact O-N 3.15Å; L504-K508 PolarHBondContact O-N 3.27Å
505	L	94.1	Very high	92.8	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-40.3	-169.2	-177.7	59	0	0	0	113.4	N509 L617 H618 D621 L655 Y705 W707	L505-N509 PolarHBondContact O-ND2 3.34Å; L505-L617 HydrophobicContact CD2-CB 3.9Å; L505-H618 HydrophobicContact CD1-CB 4.32Å; L505-H618 HydrophobicContact CG-CB 4.11Å; L505-D621 HydrophobicContact CD2-CB 4.07Å; L505-L655 HydrophobicContact CD2-CD1 4.27Å; L505-L655 HydrophobicContact CD2-CD2 4.34Å; L505-Y705 HydrophobicContact CD1-CD1 3.63Å; L505-Y705 HydrophobicContact CD1-CD2 3.71Å; L505-Y705 HydrophobicContact CD1-CE1 3.8Å; L505-Y705 HydrophobicContact CD1-CE2 3.86Å; L505-Y705 HydrophobicContact CD1-CG 3.59Å; L505-W707 HydrophobicContact CB-CH2 4.15Å; L505-W707 HydrophobicContact CD1-CH2 3.96Å; L505-W707 HydrophobicContact CD1-CZ2 4.42Å; L505-W707 HydrophobicContact CD1-CZ3 4.45Å
506	L	96.1	Very high	93.3	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-39.3	174.2	-61.6	-176.4	0	0	0	111.9	T467 N468 L504 K508 N509 V510 L576 H618 D621 F622	T467-L506 WeakPolarHBondContact O-CD1 3.41Å; N468-L506 WeakPolarHBondContact O-CD1 3.41Å; L504-L506 PolarHBondContact O-N 3.3Å; L506-K508 VanDerWaalsContact C-N 3.25Å; L506-K508 PolarHBondContact O-N 3.15Å; L506-N509 PolarHBondContact O-N 3.16Å; L506-N509 VanDerWaalsContact O-N 3.1Å; L506-V510 WeakPolarHBondContact O-CG2 3.18Å; L506-V510 PolarHBondContact O-N 2.72Å; L506-V510 VanDerWaalsContact O-N 3.12Å; L506-L576 HydrophobicContact CD2-CD1 4.48Å; L506-L576 HydrophobicContact CD2-CD2 4.42Å; L506-H618 HydrophobicContact CD2-CB 4.26Å; L506-H618 WeakPolarHBondContact CD2-O 3.42Å; L506-D621 HydrophobicContact CD2-CB 4.37Å; L506-F622 HydrophobicContact CD1-CB 4.32Å; L506-F622 HydrophobicContact CD1-CD2 4.12Å; L506-F622 HydrophobicContact CD2-CB 3.88Å
507	A	95.4	Very high	93.7	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.008	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-56.6	-41.5	179.5	0	0	0	0	0	112	V445 L448 L465 L504 N509	V445-A507 HydrophobicContact CG1-CB 3.78Å; V445-A507 HydrophobicContact CG2-CB 3.91Å; L448-A507 WeakPolarHBondContact CD1-O 3.47Å; L465-A507 HydrophobicContact CD1-CB 3.64Å; L465-A507 HydrophobicContact CD2-CB 4.1Å; L504-A507 WeakPolarHBondContact O-CB 3.44Å; L504-A507 PolarHBondContact O-N 3.29Å; L504-A507 VanDerWaalsContact O-N 3.15Å; A507-N509 VanDerWaalsContact C-N 3.26Å; A507-N509 PolarHBondContact O-N 3.43Å
508	K	94.8	Very high	94.1	Very high	26 Å²	26	23.7 Å²	23.7	11%	0.113	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-64.9	-22.9	179.8	-178.7	69.5	-164.2	94.2	0	114.7	D444 V445 L504 L506 W707	D444-K508 WeakPolarHBondContact OD2-CD 3.45Å; D444-K508 WeakPolarHBondContact OD2-CE 3.37Å; D444-K508 IonicContact OD2-NZ 3.15Å; D444-K508 PolarHBondContact OD2-NZ 3.12Å; V445-K508 HydrophobicContact CG2-CB 4.07Å; V445-K508 HydrophobicContact CG2-CD 4.4Å; L504-K508 PolarHBondContact O-N 3.27Å; L506-K508 VanDerWaalsContact C-N 3.25Å; L506-K508 PolarHBondContact O-N 3.15Å; K508-W707 HydrophobicContact CB-CE3 4.28Å; K508-W707 HydrophobicContact CB-CZ3 3.84Å; K508-W707 HydrophobicContact CD-CE3 4.28Å; K508-W707 WeakPolarHBondContact CE-O 3.49Å; K508-W707 HydrophobicContact CG-CE3 3.83Å; K508-W707 HydrophobicContact CG-CZ3 3.93Å
509	N	94.6	Very high	94.5	Very high	52 Å²	52	16.9 Å²	16.9	28%	0.278	9%	0.094	S	C	.	.	G	3₁₀ helix	trans	-120.1	0.6	-169.4	-62.5	-79.4	0	0	0	114	L505 L506 A507 L576 H618 Y705	L505-N509 PolarHBondContact O-ND2 3.34Å; L506-N509 PolarHBondContact O-N 3.16Å; L506-N509 VanDerWaalsContact O-N 3.1Å; A507-N509 VanDerWaalsContact C-N 3.26Å; A507-N509 PolarHBondContact O-N 3.43Å; N509-L576 HydrophobicContact CB-CD2 3.78Å; N509-H618 HydrophobicContact CB-CB 4.4Å; N509-Y705 PolarHBondContact ND2-OH 3.47Å; N509-Y705 PolarHBondContact OD1-OH 3.04Å
510	V	96	Very high	94.8	Very high	5 Å²	5	17.6 Å²	17.6	3%	0.03	10%	0.097	C	C	.	.	S	Bend	trans	-112.3	-74.4	-180	177.1	0	0	0	0	111.2	L506 S514 F515 L576 I580	L506-V510 WeakPolarHBondContact O-CG2 3.18Å; L506-V510 PolarHBondContact O-N 2.72Å; L506-V510 VanDerWaalsContact O-N 3.12Å; V510-S514 VanDerWaalsContact O-CB 3.23Å; V510-S514 WeakPolarHBondContact O-CB 3.37Å; V510-S514 PolarHBondContact O-OG 2.95Å; V510-F515 HydrophobicContact CG1-CB 3.9Å; V510-F515 HydrophobicContact CG1-CD2 3.99Å; V510-F515 HydrophobicContact CG1-CG 4.42Å; V510-L576 HydrophobicContact CG2-CD2 3.6Å; V510-L576 HydrophobicContact CG2-CG 4.24Å; V510-I580 HydrophobicContact CG1-CD1 4.1Å; V510-I580 HydrophobicContact CG2-CD1 3.61Å
511	G	94.3	Very high	95	Very high	1 Å²	1	19 Å²	19	1%	0.01	11%	0.108	C	C	.	.			trans	75.5	144.2	-173.5	0	0	0	0	0	113.9	N513 S514 F515	G511-N513 VanDerWaalsContact C-N 3.33Å; G511-N513 PolarHBondContact O-N 2.61Å; G511-S514 PolarHBondContact O-N 2.77Å; G511-F515 WeakPolarHBondContact O-CB 3.42Å; G511-F515 PolarHBondContact O-N 3.26Å; G511-F515 VanDerWaalsContact O-N 3.1Å
512	N	97.5	Very high	95	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.011	13%	0.131	C	C	.	.	H	α-helix	trans	-60.4	-35.4	-174.2	-80.7	-7.4	0	0	0	113.8	G450 N451 I453 C455 I471 L472 N516	G450-N512 VanDerWaalsContact O-CB 3.22Å; G450-N512 WeakPolarHBondContact O-CB 3.36Å; G450-N512 PolarHBondContact O-ND2 3.31Å; N451-N512 VanDerWaalsContact OD1-CB 3.29Å; N451-N512 WeakPolarHBondContact OD1-CB 3.34Å; N451-N512 PolarHBondContact OD1-N 3.48Å; N451-N512 PolarHBondContact OD1-OD1 3.41Å; I453-N512 PolarHBondContact O-ND2 2.95Å; C455-N512 HydrophobicContact CB-CB 4.48Å; C455-N512 PolarHBondContact N-ND2 2.92Å; I471-N512 WeakPolarHBondContact CA-OD1 3.35Å; I471-N512 VanDerWaalsContact CB-OD1 3.27Å; I471-N512 WeakPolarHBondContact CB-OD1 3.14Å; L472-N512 PolarHBondContact N-OD1 2.79Å; L472-N512 PolarHBondContact O-ND2 2.8Å; L472-N512 PolarHBondContact O-OD1 2.62Å; N512-N516 WeakPolarHBondContact O-CB 3.42Å; N512-N516 VanDerWaalsContact O-CG 3.25Å; N512-N516 PolarHBondContact O-N 3.35Å; N512-N516 VanDerWaalsContact O-N 3.11Å; N512-N516 PolarHBondContact O-ND2 2.95Å
513	N	96.3	Very high	95	Very high	80 Å²	80	25.7 Å²	25.7	43%	0.428	14%	0.143	S	C	.	.	H	α-helix	trans	-65.5	-56.3	178.3	-161.7	100	0	0	0	110.9	P449 G511 F515 N516 D517	P449-N513 HydrophobicContact CB-CB 4.21Å; P449-N513 WeakPolarHBondContact O-CB 3.28Å; P449-N513 PolarHBondContact O-N 2.81Å; P449-N513 VanDerWaalsContact O-N 3.14Å; G511-N513 VanDerWaalsContact C-N 3.33Å; G511-N513 PolarHBondContact O-N 2.61Å; N513-F515 PolarHBondContact O-N 3.01Å; N513-N516 CarbonylContact O-C 3.57Å; N513-N516 WeakPolarHBondContact O-CA 3.35Å; N513-N516 PolarHBondContact O-N 3.03Å; N513-D517 PolarHBondContact ND2-OD2 3.21Å; N513-D517 PolarHBondContact O-N 3.11Å
514	S	96.8	Very high	94.8	Very high	31 Å²	31	28.7 Å²	28.7	22%	0.217	16%	0.163	C	C	.	.	H	α-helix	trans	-57.2	-35.9	-179.1	-23.3	0	0	0	0	112.4	V510 G511	V510-S514 VanDerWaalsContact O-CB 3.23Å; V510-S514 WeakPolarHBondContact O-CB 3.37Å; V510-S514 PolarHBondContact O-OG 2.95Å; G511-S514 PolarHBondContact O-N 2.77Å
515	F	97.1	Very high	94.4	Very high	4 Å²	4	34.5 Å²	34.5	2%	0.018	20%	0.204	C	C	.	.	H	α-helix	trans	-67.7	-41.3	174.9	-170.7	-91.7	0	0	0	112.3	L469 I471 V510 G511 N513 I518 M519 Y547 I580	L469-F515 HydrophobicContact CB-CE2 4.17Å; L469-F515 HydrophobicContact CB-CZ 4.42Å; L469-F515 HydrophobicContact CD1-CZ 4.35Å; L469-F515 HydrophobicContact CD2-CE2 4.48Å; I471-F515 HydrophobicContact CD1-CE1 4.15Å; I471-F515 HydrophobicContact CD1-CZ 4.43Å; I471-F515 HydrophobicContact CG2-CB 3.64Å; I471-F515 HydrophobicContact CG2-CD1 3.62Å; I471-F515 HydrophobicContact CG2-CD2 3.66Å; I471-F515 HydrophobicContact CG2-CE1 4.14Å; I471-F515 HydrophobicContact CG2-CE2 4.18Å; I471-F515 HydrophobicContact CG2-CG 3.35Å; I471-F515 HydrophobicContact CG2-CZ 4.4Å; V510-F515 HydrophobicContact CG1-CB 3.9Å; V510-F515 HydrophobicContact CG1-CD2 3.99Å; V510-F515 HydrophobicContact CG1-CG 4.42Å; G511-F515 WeakPolarHBondContact O-CB 3.42Å; G511-F515 PolarHBondContact O-N 3.26Å; G511-F515 VanDerWaalsContact O-N 3.1Å; N513-F515 PolarHBondContact O-N 3.01Å; F515-I518 PolarHBondContact O-N 3.25Å; F515-M519 HydrophobicContact CD1-CB 4.18Å; F515-M519 HydrophobicContact CD1-CG 3.95Å; F515-M519 HydrophobicContact CE1-CB 3.96Å; F515-M519 HydrophobicContact CE1-CG 3.53Å; F515-M519 HydrophobicContact CE2-CG 4.28Å; F515-M519 HydrophobicContact CG-CG 4.49Å; F515-M519 HydrophobicContact CZ-CE 4.34Å; F515-M519 HydrophobicContact CZ-CG 3.72Å; F515-M519 WeakPolarHBondContact O-CB 3.39Å; F515-M519 WeakPolarHBondContact O-CG 3.45Å; F515-M519 PolarHBondContact O-N 3.12Å; F515-Y547 HydrophobicContact CE1-CD1 4.44Å; F515-Y547 AromaticContact CE1-CE1 3.5Å; F515-Y547 HydrophobicContact CE1-CE1 3.5Å; F515-Y547 HydrophobicContact CZ-CD1 4.34Å; F515-Y547 AromaticContact CZ-CE1 3.7Å; F515-Y547 HydrophobicContact CZ-CE1 3.7Å; F515-I580 HydrophobicContact CD2-CG2 4.2Å; F515-I580 HydrophobicContact CE2-CG2 4.19Å
516	N	96.3	Very high	93.9	Very high	25 Å²	25	40.3 Å²	40.3	13%	0.134	24%	0.242	C	C	.	.	H	α-helix	trans	-73.5	-30.7	177.8	-71.4	-18.1	0	0	0	112.6	C455 N512 N513 I518 M519 E520 K529 K546	C455-N516 PolarHBondContact O-ND2 3.26Å; C455-N516 PolarHBondContact SG-OD1 2.98Å; N512-N516 WeakPolarHBondContact O-CB 3.42Å; N512-N516 VanDerWaalsContact O-CG 3.25Å; N512-N516 PolarHBondContact O-N 3.35Å; N512-N516 VanDerWaalsContact O-N 3.11Å; N512-N516 PolarHBondContact O-ND2 2.95Å; N513-N516 CarbonylContact O-C 3.57Å; N513-N516 WeakPolarHBondContact O-CA 3.35Å; N513-N516 PolarHBondContact O-N 3.03Å; N516-I518 PolarHBondContact O-N 3.21Å; N516-I518 VanDerWaalsContact O-N 3.08Å; N516-M519 PolarHBondContact O-N 3.22Å; N516-E520 HydrophobicContact CB-CB 4.42Å; N516-E520 HydrophobicContact CB-CG 4.24Å; N516-E520 VanDerWaalsContact CG-OE1 3.29Å; N516-E520 WeakPolarHBondContact O-CA 3.32Å; N516-E520 WeakPolarHBondContact O-CB 3.5Å; N516-E520 PolarHBondContact O-N 2.94Å; N516-E520 PolarHBondContact OD1-OE1 3.3Å; N516-E520 VanDerWaalsContact OD1-OE1 3.06Å; N516-K529 PolarHBondContact ND2-NZ 3.46Å; N516-K546 WeakPolarHBondContact OD1-CE 3.12Å; N516-K546 PolarHBondContact OD1-NZ 2.72Å
517	D	95.6	Very high	93.5	Very high	82 Å²	82	43.7 Å²	43.7	44%	0.439	27%	0.265	S	S	.	.	H	α-helix	trans	-58.3	-21.3	171.4	-67.2	-44.2	0	0	0	113.1	N513 A521 R554	N513-D517 PolarHBondContact ND2-OD2 3.21Å; N513-D517 PolarHBondContact O-N 3.11Å; D517-A521 WeakPolarHBondContact O-CB 3.4Å; D517-R554 PolarHBondContact O-NH2 2.89Å
518	I	95.4	Very high	93.2	Very high	13 Å²	13	46.1 Å²	46.1	7%	0.067	28%	0.281	C	S	.	.	H	α-helix	trans	-95.2	-56.8	172.3	-66.9	164.9	0	0	0	110.9	F515 N516 S553 R554 L577 I580 Q581 A584	F515-I518 PolarHBondContact O-N 3.25Å; N516-I518 PolarHBondContact O-N 3.21Å; N516-I518 VanDerWaalsContact O-N 3.08Å; I518-S553 WeakPolarHBondContact O-CA 3.24Å; I518-R554 PolarHBondContact O-N 2.96Å; I518-L577 HydrophobicContact CD1-CB 4.15Å; I518-L577 HydrophobicContact CD1-CD2 4.34Å; I518-L577 VanDerWaalsContact CD1-O 3.27Å; I518-L577 WeakPolarHBondContact CD1-O 3.41Å; I518-I580 HydrophobicContact CD1-CB 4.09Å; I518-I580 HydrophobicContact CD1-CG2 3.85Å; I518-I580 HydrophobicContact CG2-CG2 4.3Å; I518-Q581 HydrophobicContact CD1-CB 4.42Å; I518-Q581 HydrophobicContact CG1-CB 4.49Å; I518-Q581 HydrophobicContact CG2-CB 4.29Å; I518-A584 HydrophobicContact CG2-CB 3.84Å
519	M	95.1	Very high	93.2	Very high	3 Å²	3	47.5 Å²	47.5	2%	0.015	29%	0.287	C	S	.	.	H	α-helix	trans	-83.2	-14.6	-165.7	-69.8	-69.1	-75.3	0	0	114.6	F515 N516 K546 Y547 F552 S553 A584	F515-M519 HydrophobicContact CD1-CB 4.18Å; F515-M519 HydrophobicContact CD1-CG 3.95Å; F515-M519 HydrophobicContact CE1-CB 3.96Å; F515-M519 HydrophobicContact CE1-CG 3.53Å; F515-M519 HydrophobicContact CE2-CG 4.28Å; F515-M519 HydrophobicContact CG-CG 4.49Å; F515-M519 HydrophobicContact CZ-CE 4.34Å; F515-M519 HydrophobicContact CZ-CG 3.72Å; F515-M519 WeakPolarHBondContact O-CB 3.39Å; F515-M519 WeakPolarHBondContact O-CG 3.45Å; F515-M519 PolarHBondContact O-N 3.12Å; N516-M519 PolarHBondContact O-N 3.22Å; M519-K546 WeakPolarHBondContact CE-O 3.38Å; M519-Y547 HydrophobicContact CE-CD1 4.39Å; M519-F552 CarbonylContact O-C 3.58Å; M519-F552 VanDerWaalsContact O-C 3.25Å; M519-F552 WeakPolarHBondContact O-CB 3.38Å; M519-S553 PolarHBondContact O-N 3.27Å; M519-A584 HydrophobicContact SD-CB 3.45Å; M519-A584 WeakPolarHBondContact SD-CB 3.48Å
520	E	95.1	Very high	93.3	Very high	26 Å²	26	45.3 Å²	45.3	12%	0.121	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.5	11	176.7	-59.4	-179.3	-164.2	0	0	111.9	N516 N522 L523 K529 Y542 K546 F552	N516-E520 HydrophobicContact CB-CB 4.42Å; N516-E520 HydrophobicContact CB-CG 4.24Å; N516-E520 VanDerWaalsContact CG-OE1 3.29Å; N516-E520 WeakPolarHBondContact O-CA 3.32Å; N516-E520 WeakPolarHBondContact O-CB 3.5Å; N516-E520 PolarHBondContact O-N 2.94Å; N516-E520 PolarHBondContact OD1-OE1 3.3Å; N516-E520 VanDerWaalsContact OD1-OE1 3.06Å; E520-N522 PolarHBondContact O-N 3.41Å; E520-N522 VanDerWaalsContact O-N 3.09Å; E520-L523 HydrophobicContact CB-CB 4.28Å; E520-L523 HydrophobicContact CB-CD2 4.44Å; E520-L523 WeakPolarHBondContact O-CB 3.29Å; E520-L523 PolarHBondContact O-N 3.08Å; E520-K529 WeakPolarHBondContact OE1-CE 3.44Å; E520-K529 IonicContact OE1-NZ 3.76Å; E520-K529 PolarHBondContact OE1-NZ 3.19Å; E520-K529 WeakPolarHBondContact OE2-CD 3.32Å; E520-K529 IonicContact OE2-NZ 3.22Å; E520-K529 PolarHBondContact OE2-NZ 3.07Å; E520-Y542 PolarHBondContact OE1-OH 2.74Å; E520-Y542 PolarHBondContact OE2-OH 3.5Å; E520-K546 HydrophobicContact CG-CD 4.37Å; E520-K546 WeakPolarHBondContact OE1-CE 3.23Å; E520-K546 IonicContact OE1-NZ 3.84Å; E520-K546 PolarHBondContact OE1-NZ 3.47Å; E520-F552 CarbonylContact C-O 3.6Å
521	A	93.3	Very high	93.2	Very high	41 Å²	41	48.1 Å²	48.1	34%	0.339	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-27.2	-176.8	0	0	0	0	0	114.8	D517 F552 R554	D517-A521 WeakPolarHBondContact O-CB 3.4Å; A521-F552 PolarHBondContact N-O 3.35Å; A521-R554 HydrophobicContact CB-CB 3.68Å; A521-R554 HydrophobicContact CB-CG 4.25Å
522	N	92.5	Very high	93.2	Very high	93 Å²	93	51.4 Å²	51.4	50%	0.497	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	27.4	176.9	-72.6	-47.7	0	0	0	112	E520 F552 S553	E520-N522 PolarHBondContact O-N 3.41Å; E520-N522 VanDerWaalsContact O-N 3.09Å; N522-F552 PolarHBondContact N-O 3.04Å; N522-S553 PolarHBondContact ND2-O 3.03Å
523	L	91.9	Very high	93	Very high	48 Å²	48	56.6 Å²	56.6	25%	0.251	35%	0.351	S	S	.	.			trans	-62.8	121.7	176	-170.9	71	0	0	0	110.1	E520 S527 P528 K529 Y542 F552	E520-L523 HydrophobicContact CB-CB 4.28Å; E520-L523 HydrophobicContact CB-CD2 4.44Å; E520-L523 WeakPolarHBondContact O-CB 3.29Å; E520-L523 PolarHBondContact O-N 3.08Å; L523-S527 WeakPolarHBondContact CD2-OG 3.17Å; L523-P528 HydrophobicContact CD1-CG 3.76Å; L523-K529 HydrophobicContact CD2-CB 4.4Å; L523-Y542 HydrophobicContact CD1-CE2 3.83Å; L523-F552 HydrophobicContact CD1-CB 4.38Å; L523-F552 HydrophobicContact CD1-CD1 4.01Å; L523-F552 HydrophobicContact CD1-CD2 4.13Å; L523-F552 HydrophobicContact CD1-CE1 4.31Å; L523-F552 HydrophobicContact CD1-CE2 4.43Å; L523-F552 HydrophobicContact CD1-CG 3.91Å
524	P	88.9	Confident	92.9	Very high	70 Å²	70	54.1 Å²	54.1	46%	0.455	34%	0.339	S	S	.	.			trans	-72.2	160.9	-175.2	28.3	-33.4	0	0	0	112.1	P526 S527 P528	P524-P526 CarbonylContact O-C 3.58Å; P524-S527 VanDerWaalsContact O-CA 3.32Å; P524-S527 WeakPolarHBondContact O-CA 3.21Å; P524-S527 PolarHBondContact O-N 2.96Å; P524-P528 HydrophobicContact CG-CG 4.08Å
525	S	86.2	Confident	92.8	Very high	122 Å²	122	56.8 Å²	56.8	85%	0.853	35%	0.351	S	S	*	.	S	Bend	trans	-112.4	130.1	173.3	-171.6	0	0	0	0	110.2
526	P	83.6	Confident	92.7	Very high	122 Å²	122	60.9 Å²	60.9	79%	0.792	37%	0.371	S	S	*	.	S	Bend	cis	-65.7	148.9	-0.9	29.8	-36.5	0	0	0	112.7	P524	P524-P526 CarbonylContact O-C 3.58Å
527	S	87.3	Confident	92.6	Very high	71 Å²	71	63.9 Å²	63.9	50%	0.497	39%	0.391	S	S	.	.			trans	-65	130.2	-174	-178	0	0	0	0	112.3	L523 P524 K529	L523-S527 WeakPolarHBondContact CD2-OG 3.17Å; P524-S527 VanDerWaalsContact O-CA 3.32Å; P524-S527 WeakPolarHBondContact O-CA 3.21Å; P524-S527 PolarHBondContact O-N 2.96Å; S527-K529 PolarHBondContact O-N 3.4Å; S527-K529 VanDerWaalsContact OG-CB 3.24Å; S527-K529 WeakPolarHBondContact OG-CB 3.24Å; S527-K529 PolarHBondContact OG-N 2.9Å; S527-K529 VanDerWaalsContact OG-N 3.14Å
528	P	89.2	Confident	92.6	Very high	52 Å²	52	62.8 Å²	62.8	34%	0.338	39%	0.387	S	S	.	.			trans	-82.4	5	170.1	35.2	-35.7	0	0	0	112.8	L523 P524 Y542 F552	L523-P528 HydrophobicContact CD1-CG 3.76Å; P524-P528 HydrophobicContact CG-CG 4.08Å; P528-Y542 HydrophobicContact CB-CD2 4.5Å; P528-Y542 HydrophobicContact CG-CD2 4.44Å; P528-Y542 HydrophobicContact CG-CE2 4.37Å; P528-Y542 VanDerWaalsContact O-CD2 3.26Å; P528-Y542 WeakPolarHBondContact O-CD2 3.45Å; P528-F552 HydrophobicContact CG-CE1 3.98Å; P528-F552 HydrophobicContact CG-CZ 3.99Å
529	K	94.3	Very high	92.7	Very high	55 Å²	55	62.4 Å²	62.4	24%	0.239	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-70.4	127.8	-178.2	-168.5	167	-170.2	162.9	0	110.6	C455 D456 N516 E520 L523 S527 Y542	C455-K529 WeakPolarHBondContact O-CE 3.37Å; C455-K529 PolarHBondContact O-NZ 3.3Å; D456-K529 WeakPolarHBondContact O-CE 3.06Å; D456-K529 WeakPolarHBondContact O-CG 3.31Å; N516-K529 PolarHBondContact ND2-NZ 3.46Å; E520-K529 WeakPolarHBondContact OE1-CE 3.44Å; E520-K529 IonicContact OE1-NZ 3.76Å; E520-K529 PolarHBondContact OE1-NZ 3.19Å; E520-K529 WeakPolarHBondContact OE2-CD 3.32Å; E520-K529 IonicContact OE2-NZ 3.22Å; E520-K529 PolarHBondContact OE2-NZ 3.07Å; L523-K529 HydrophobicContact CD2-CB 4.4Å; S527-K529 PolarHBondContact O-N 3.4Å; S527-K529 VanDerWaalsContact OG-CB 3.24Å; S527-K529 WeakPolarHBondContact OG-CB 3.24Å; S527-K529 PolarHBondContact OG-N 2.9Å; S527-K529 VanDerWaalsContact OG-N 3.14Å; K529-Y542 HydrophobicContact CB-CE2 3.98Å; K529-Y542 HydrophobicContact CG-CE1 3.99Å; K529-Y542 HydrophobicContact CG-CE2 4.26Å
530	P	95.9	Very high	92.8	Very high	6 Å²	6	66.7 Å²	66.7	4%	0.039	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-67.1	157.2	-179.4	27.4	-35.3	0	0	0	112	D456 C457 V538 R539 Y542	D456-P530 WeakPolarHBondContact O-CD 3.24Å; D456-P530 WeakPolarHBondContact O-CG 3.41Å; C457-P530 CarbonylContact C-O 3.6Å; C457-P530 VanDerWaalsContact CA-O 3.29Å; C457-P530 WeakPolarHBondContact CA-O 3.24Å; C457-P530 HydrophobicContact CB-CB 4.31Å; C457-P530 HydrophobicContact CB-CG 3.97Å; P530-V538 HydrophobicContact CB-CG1 4.39Å; P530-R539 HydrophobicContact CB-CG 3.8Å; P530-R539 HydrophobicContact CG-CG 4.11Å; P530-Y542 HydrophobicContact CG-CD1 3.99Å; P530-Y542 HydrophobicContact CG-CG 4.22Å
531	T	94.8	Very high	92.8	Very high	63 Å²	63	72 Å²	72	39%	0.387	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-96	169.8	168.4	61.7	0	0	0	0	110.8	C457 S533 S534	C457-T531 CarbonylContact O-C 3.6Å; T531-S533 PolarHBondContact O-N 3.36Å; T531-S533 PolarHBondContact OG1-N 3.15Å; T531-S533 PolarHBondContact OG1-OG 2.96Å; T531-S534 PolarHBondContact N-OG 2.98Å; T531-S534 WeakPolarHBondContact O-CB 3.04Å; T531-S534 PolarHBondContact O-N 3.42Å; T531-S534 PolarHBondContact OG1-N 2.87Å; T531-S534 VanDerWaalsContact OG1-N 3.11Å; T531-S534 PolarHBondContact OG1-OG 3.46Å
532	P	94.5	Very high	93	Very high	71 Å²	71	70.3 Å²	70.3	46%	0.461	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-19.9	170.2	-21.1	34.8	0	0	0	113	C457 R539	C457-P532 VanDerWaalsContact O-CD 3.22Å; C457-P532 WeakPolarHBondContact O-CD 3.49Å; P532-R539 PolarHBondContact O-NH2 2.74Å
533	S	93	Very high	93.3	Very high	111 Å²	111	65.9 Å²	65.9	78%	0.776	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-3.2	174.8	53.7	0	0	0	0	114.6	T531	T531-S533 PolarHBondContact O-N 3.36Å; T531-S533 PolarHBondContact OG1-N 3.15Å; T531-S533 PolarHBondContact OG1-OG 2.96Å
534	S	94.7	Very high	93.5	Very high	28 Å²	28	66 Å²	66	20%	0.196	39%	0.392	C	S	.	.	S	Bend	trans	-75.8	145.2	179.1	-65.1	0	0	0	0	111.6	T531 R539	T531-S534 PolarHBondContact N-OG 2.98Å; T531-S534 WeakPolarHBondContact O-CB 3.04Å; T531-S534 PolarHBondContact O-N 3.42Å; T531-S534 PolarHBondContact OG1-N 2.87Å; T531-S534 VanDerWaalsContact OG1-N 3.11Å; T531-S534 PolarHBondContact OG1-OG 3.46Å; S534-R539 PolarHBondContact O-NE 2.79Å; S534-R539 PolarHBondContact O-NH2 3.44Å
535	D	94.6	Very high	93.8	Very high	87 Å²	87	62.8 Å²	62.8	47%	0.465	37%	0.371	S	S	.	.			trans	-73.6	167	-179.9	75.6	82	0	0	0	113.4	T537 V538 R539	D535-T537 PolarHBondContact O-N 3.44Å; D535-T537 WeakPolarHBondContact OD1-CA 3.45Å; D535-T537 WeakPolarHBondContact OD1-CB 3.4Å; D535-T537 PolarHBondContact OD1-N 3.35Å; D535-T537 PolarHBondContact OD1-OG1 2.69Å; D535-V538 PolarHBondContact O-N 2.93Å; D535-V538 PolarHBondContact OD1-N 3.33Å; D535-V538 WeakPolarHBondContact OD2-CG2 3.36Å; D535-R539 WeakPolarHBondContact O-CG 3.31Å; D535-R539 PolarHBondContact O-N 3.4Å; D535-R539 VanDerWaalsContact O-N 3.08Å
536	M	94.1	Very high	94.3	Very high	89 Å²	89	57 Å²	57	44%	0.438	33%	0.331	S	S	.	.	H	α-helix	trans	-64.5	-23.3	-175.2	-67.3	-59.2	-68.7	0	0	114.1	E476 I480 K540	E476-M536 HydrophobicContact CB-SD 4.12Å; I480-M536 HydrophobicContact CD1-CE 3.75Å; I480-M536 HydrophobicContact CG1-CE 3.77Å; M536-K540 WeakPolarHBondContact O-CB 3.34Å; M536-K540 PolarHBondContact O-N 2.84Å
537	T	94.9	Very high	94.9	Very high	89 Å²	89	51.4 Å²	51.4	55%	0.546	29%	0.294	S	S	.	.	H	α-helix	trans	-71.2	-53.1	176.4	-30	0	0	0	0	109.9	D535 R539 K540 E541	D535-T537 PolarHBondContact O-N 3.44Å; D535-T537 WeakPolarHBondContact OD1-CA 3.45Å; D535-T537 WeakPolarHBondContact OD1-CB 3.4Å; D535-T537 PolarHBondContact OD1-N 3.35Å; D535-T537 PolarHBondContact OD1-OG1 2.69Å; T537-R539 VanDerWaalsContact C-N 3.31Å; T537-R539 PolarHBondContact O-N 3.26Å; T537-K540 PolarHBondContact O-N 2.99Å; T537-E541 WeakPolarHBondContact O-CG 3.46Å; T537-E541 PolarHBondContact O-N 3.15Å
538	V	95.6	Very high	95.2	Very high	59 Å²	59	51.5 Å²	51.5	36%	0.358	29%	0.291	S	S	.	.	H	α-helix	trans	-59	-44.3	178.1	178.9	0	0	0	0	110.7	P530 D535 K540 Y542	P530-V538 HydrophobicContact CB-CG1 4.39Å; D535-V538 PolarHBondContact O-N 2.93Å; D535-V538 PolarHBondContact OD1-N 3.33Å; D535-V538 WeakPolarHBondContact OD2-CG2 3.36Å; V538-K540 PolarHBondContact O-N 3.27Å; V538-Y542 WeakPolarHBondContact O-CB 3.5Å; V538-Y542 PolarHBondContact O-N 2.92Å
539	R	97.5	Very high	95.4	Very high	4 Å²	4	53 Å²	53	2%	0.015	30%	0.296	C	S	.	.	H	α-helix	trans	-60.4	-43.5	174.3	-67.9	174	-174.8	-147	26.1	112.1	E476 I480 P530 P532 S534 D535 T537 Y542 I543	E476-R539 VanDerWaalsContact CB-NH1 3.33Å; E476-R539 IonicContact OE1-NH2 2.72Å; E476-R539 IonicContact OE2-CZ 3.82Å; E476-R539 IonicContact OE2-NH1 3.84Å; E476-R539 PolarHBondContact OE2-NH1 3.44Å; E476-R539 IonicContact OE2-NH2 2.62Å; E476-R539 PolarHBondContact OE2-NH2 3.03Å; I480-R539 HydrophobicContact CD1-CB 3.61Å; P530-R539 HydrophobicContact CB-CG 3.8Å; P530-R539 HydrophobicContact CG-CG 4.11Å; P532-R539 PolarHBondContact O-NH2 2.74Å; S534-R539 PolarHBondContact O-NE 2.79Å; S534-R539 PolarHBondContact O-NH2 3.44Å; D535-R539 WeakPolarHBondContact O-CG 3.31Å; D535-R539 PolarHBondContact O-N 3.4Å; D535-R539 VanDerWaalsContact O-N 3.08Å; T537-R539 VanDerWaalsContact C-N 3.31Å; T537-R539 PolarHBondContact O-N 3.26Å; R539-Y542 PolarHBondContact O-N 3.38Å; R539-I543 VanDerWaalsContact O-CB 3.3Å; R539-I543 WeakPolarHBondContact O-CB 3.34Å; R539-I543 VanDerWaalsContact O-CG1 3.27Å; R539-I543 WeakPolarHBondContact O-CG1 3.5Å; R539-I543 PolarHBondContact O-N 3.08Å
540	K	96.5	Very high	95.3	Very high	94 Å²	94	51.9 Å²	51.9	41%	0.409	29%	0.292	S	S	.	.	H	α-helix	trans	-68.6	-42	-178.9	179.5	166.6	178.5	168.4	0	112.4	I480 E483 M536 T537 V538 T544	I480-K540 HydrophobicContact CD1-CB 4.12Å; I480-K540 HydrophobicContact CG1-CB 4.39Å; I480-K540 HydrophobicContact CG2-CB 4.22Å; I480-K540 HydrophobicContact CG2-CG 4.13Å; E483-K540 WeakPolarHBondContact OE2-CE 3.4Å; E483-K540 IonicContact OE2-NZ 3.36Å; E483-K540 PolarHBondContact OE2-NZ 3.21Å; M536-K540 WeakPolarHBondContact O-CB 3.34Å; M536-K540 PolarHBondContact O-N 2.84Å; T537-K540 PolarHBondContact O-N 2.99Å; V538-K540 PolarHBondContact O-N 3.27Å; K540-T544 VanDerWaalsContact O-CB 3.25Å; K540-T544 WeakPolarHBondContact O-CB 3.35Å; K540-T544 PolarHBondContact O-N 3.48Å; K540-T544 PolarHBondContact O-OG1 2.93Å
541	E	96.2	Very high	95.2	Very high	136 Å²	136	58.7 Å²	58.7	64%	0.636	32%	0.317	S	S	*	.	H	α-helix	trans	-61.5	-45.6	174.9	-72.2	179.4	-174	0	0	111.3	T537 A545	T537-E541 WeakPolarHBondContact O-CG 3.46Å; T537-E541 PolarHBondContact O-N 3.15Å; E541-A545 WeakPolarHBondContact O-CB 3.46Å; E541-A545 PolarHBondContact O-N 3.29Å
542	Y	97.4	Very high	95.2	Very high	7 Å²	7	56.3 Å²	56.3	3%	0.027	30%	0.301	C	S	.	.	H	α-helix	trans	-63.6	-50.8	177.8	-179.7	-99.2	0	0	0	113.1	D456 E520 L523 P528 K529 P530 V538 R539 T544 A545 K546 F552	D456-Y542 HydrophobicContact CB-CD1 4.43Å; D456-Y542 HydrophobicContact CB-CE1 4.27Å; E520-Y542 PolarHBondContact OE1-OH 2.74Å; E520-Y542 PolarHBondContact OE2-OH 3.5Å; L523-Y542 HydrophobicContact CD1-CE2 3.83Å; P528-Y542 HydrophobicContact CB-CD2 4.5Å; P528-Y542 HydrophobicContact CG-CD2 4.44Å; P528-Y542 HydrophobicContact CG-CE2 4.37Å; P528-Y542 VanDerWaalsContact O-CD2 3.26Å; P528-Y542 WeakPolarHBondContact O-CD2 3.45Å; K529-Y542 HydrophobicContact CB-CE2 3.98Å; K529-Y542 HydrophobicContact CG-CE1 3.99Å; K529-Y542 HydrophobicContact CG-CE2 4.26Å; P530-Y542 HydrophobicContact CG-CD1 3.99Å; P530-Y542 HydrophobicContact CG-CG 4.22Å; V538-Y542 WeakPolarHBondContact O-CB 3.5Å; V538-Y542 PolarHBondContact O-N 2.92Å; R539-Y542 PolarHBondContact O-N 3.38Å; Y542-T544 VanDerWaalsContact C-N 3.34Å; Y542-T544 PolarHBondContact O-N 3.06Å; Y542-A545 PolarHBondContact O-N 3.47Å; Y542-K546 HydrophobicContact CE1-CD 3.9Å; Y542-K546 WeakPolarHBondContact O-CB 3.4Å; Y542-K546 PolarHBondContact O-N 3.18Å; Y542-F552 AromaticContact CD2-CE2 3.82Å; Y542-F552 HydrophobicContact CD2-CE2 3.82Å; Y542-F552 HydrophobicContact CD2-CZ 4.18Å; Y542-F552 HydrophobicContact CE2-CD2 4.1Å; Y542-F552 AromaticContact CE2-CE2 3.54Å; Y542-F552 HydrophobicContact CE2-CE2 3.54Å; Y542-F552 HydrophobicContact CE2-CZ 4.11Å
543	I	97.7	Very high	95.1	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-62.3	-42.2	180	-72.9	169.2	0	0	0	110.3	D456 C477 I480 M484 R539 A545 K546 Y547	D456-I543 HydrophobicContact CB-CD1 4.13Å; D456-I543 HydrophobicContact CB-CG1 3.89Å; C477-I543 HydrophobicContact CB-CD1 3.85Å; I480-I543 HydrophobicContact CB-CD1 4.16Å; I480-I543 HydrophobicContact CB-CG2 4.47Å; I480-I543 HydrophobicContact CD1-CD1 3.91Å; I480-I543 HydrophobicContact CG2-CB 4.01Å; I480-I543 HydrophobicContact CG2-CD1 4.2Å; I480-I543 HydrophobicContact CG2-CG2 3.66Å; M484-I543 HydrophobicContact CE-CG2 3.5Å; M484-I543 VanDerWaalsContact CE-CG2 3.5Å; M484-I543 HydrophobicContact SD-CG2 3.85Å; R539-I543 VanDerWaalsContact O-CB 3.3Å; R539-I543 WeakPolarHBondContact O-CB 3.34Å; R539-I543 VanDerWaalsContact O-CG1 3.27Å; R539-I543 WeakPolarHBondContact O-CG1 3.5Å; R539-I543 PolarHBondContact O-N 3.08Å; I543-A545 PolarHBondContact O-N 2.94Å; I543-K546 PolarHBondContact O-N 3.11Å; I543-Y547 HydrophobicContact CG2-CD2 3.83Å; I543-Y547 HydrophobicContact CG2-CE2 4.19Å; I543-Y547 VanDerWaalsContact O-CD2 3.3Å; I543-Y547 WeakPolarHBondContact O-CD2 3.33Å; I543-Y547 PolarHBondContact O-N 3.34Å
544	T	96.7	Very high	94.6	Very high	49 Å²	49	53.4 Å²	53.4	30%	0.301	26%	0.264	S	S	.	.	H	α-helix	trans	-59.6	-46.9	174.1	-53.2	0	0	0	0	111.2	K540 Y542 K546 V548 D549	K540-T544 VanDerWaalsContact O-CB 3.25Å; K540-T544 WeakPolarHBondContact O-CB 3.35Å; K540-T544 PolarHBondContact O-N 3.48Å; K540-T544 PolarHBondContact O-OG1 2.93Å; Y542-T544 VanDerWaalsContact C-N 3.34Å; Y542-T544 PolarHBondContact O-N 3.06Å; T544-K546 VanDerWaalsContact C-N 3.29Å; T544-K546 PolarHBondContact O-N 3.13Å; T544-V548 HydrophobicContact CG2-CB 4.12Å; T544-V548 HydrophobicContact CG2-CG2 3.95Å; T544-V548 WeakPolarHBondContact O-CA 3.37Å; T544-V548 VanDerWaalsContact O-CB 3.26Å; T544-V548 WeakPolarHBondContact O-CB 3.32Å; T544-V548 PolarHBondContact O-N 3.31Å; T544-D549 PolarHBondContact O-N 3.39Å
545	A	96.1	Very high	94.2	Very high	3 Å²	3	59 Å²	59	3%	0.025	29%	0.285	C	S	.	.	H	α-helix	trans	-64	-31.2	177.1	0	0	0	0	0	113.2	E541 Y542 I543 H550 R551 F552	E541-A545 WeakPolarHBondContact O-CB 3.46Å; E541-A545 PolarHBondContact O-N 3.29Å; Y542-A545 PolarHBondContact O-N 3.47Å; I543-A545 PolarHBondContact O-N 2.94Å; A545-H550 PolarHBondContact O-N 3.4Å; A545-R551 HydrophobicContact CB-CB 4.21Å; A545-R551 WeakPolarHBondContact O-CB 3.4Å; A545-R551 PolarHBondContact O-N 3.26Å; A545-F552 HydrophobicContact CB-CE2 3.85Å; A545-F552 HydrophobicContact CB-CZ 3.88Å
546	K	96.1	Very high	93.5	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-76.4	-49.2	179.1	-175.7	172.6	170.2	-176	0	112.5	C455 D456 N516 M519 E520 Y542 I543 T544 H550 F552	C455-K546 PolarHBondContact O-NZ 3.44Å; C455-K546 PolarHBondContact SG-NZ 3.04Å; C455-K546 VanDerWaalsContact SG-NZ 3.35Å; D456-K546 WeakPolarHBondContact OD1-CD 3.47Å; D456-K546 WeakPolarHBondContact OD1-CE 3.2Å; D456-K546 IonicContact OD1-NZ 2.98Å; D456-K546 PolarHBondContact OD1-NZ 3.35Å; N516-K546 WeakPolarHBondContact OD1-CE 3.12Å; N516-K546 PolarHBondContact OD1-NZ 2.72Å; M519-K546 WeakPolarHBondContact CE-O 3.38Å; E520-K546 HydrophobicContact CG-CD 4.37Å; E520-K546 WeakPolarHBondContact OE1-CE 3.23Å; E520-K546 IonicContact OE1-NZ 3.84Å; E520-K546 PolarHBondContact OE1-NZ 3.47Å; Y542-K546 HydrophobicContact CE1-CD 3.9Å; Y542-K546 WeakPolarHBondContact O-CB 3.4Å; Y542-K546 PolarHBondContact O-N 3.18Å; I543-K546 PolarHBondContact O-N 3.11Å; T544-K546 VanDerWaalsContact C-N 3.29Å; T544-K546 PolarHBondContact O-N 3.13Å; K546-H550 WeakPolarHBondContact O-CA 3.24Å; K546-F552 HydrophobicContact CB-CD2 4.35Å; K546-F552 HydrophobicContact CB-CE2 4.47Å
547	Y	96.1	Very high	92.9	Very high	6 Å²	6	55.5 Å²	55.5	2%	0.024	27%	0.272	C	S	.	.	H	α-helix	trans	-104.8	-14.4	-170.3	-58.9	-83.7	0	0	0	115.8	D456 L469 I471 H481 M484 I488 F515 M519 I543	D456-Y547 WeakPolarHBondContact OD1-CE2 3.47Å; D456-Y547 VanDerWaalsContact OD1-CZ 3.31Å; D456-Y547 PolarHBondContact OD1-OH 2.64Å; L469-Y547 HydrophobicContact CD1-CD1 3.76Å; L469-Y547 HydrophobicContact CD1-CE1 3.78Å; I471-Y547 HydrophobicContact CD1-CE1 3.68Å; I471-Y547 WeakPolarHBondContact CD1-OH 3.44Å; H481-Y547 AromaticContact CE1-CD2 3.72Å; H481-Y547 AromaticContact CE1-CE1 3.95Å; H481-Y547 AromaticContact CE1-CE2 3.34Å; H481-Y547 WeakPolarHBondContact CE1-CE2 3.49Å; H481-Y547 AromaticContact CE1-CZ 3.47Å; H481-Y547 VanDerWaalsContact CE1-CZ 3.47Å; H481-Y547 AromaticContact NE2-CD2 3.74Å; H481-Y547 AromaticContact NE2-CE2 3.28Å; H481-Y547 VanDerWaalsContact NE2-CE2 3.28Å; H481-Y547 WeakPolarHBondContact NE2-CE2 3.4Å; H481-Y547 AromaticContact NE2-CZ 3.82Å; M484-Y547 HydrophobicContact CE-CD2 3.87Å; M484-Y547 HydrophobicContact CE-CG 4.01Å; I488-Y547 WeakPolarHBondContact CG2-O 3.42Å; F515-Y547 HydrophobicContact CE1-CD1 4.44Å; F515-Y547 AromaticContact CE1-CE1 3.5Å; F515-Y547 HydrophobicContact CE1-CE1 3.5Å; F515-Y547 HydrophobicContact CZ-CD1 4.34Å; F515-Y547 AromaticContact CZ-CE1 3.7Å; F515-Y547 HydrophobicContact CZ-CE1 3.7Å; M519-Y547 HydrophobicContact CE-CD1 4.39Å; I543-Y547 HydrophobicContact CG2-CD2 3.83Å; I543-Y547 HydrophobicContact CG2-CE2 4.19Å; I543-Y547 VanDerWaalsContact O-CD2 3.3Å; I543-Y547 WeakPolarHBondContact O-CD2 3.33Å; I543-Y547 PolarHBondContact O-N 3.34Å
548	V	94.1	Very high	92.1	Very high	72 Å²	72	57.1 Å²	57.1	44%	0.436	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	-46.7	177.6	-167.8	0	0	0	0	110.9	M484 I488 T544	M484-V548 HydrophobicContact CG-CG2 4.31Å; M484-V548 HydrophobicContact SD-CG2 3.67Å; I488-V548 HydrophobicContact CD1-CG1 4.33Å; I488-V548 HydrophobicContact CD1-CG2 3.92Å; T544-V548 HydrophobicContact CG2-CB 4.12Å; T544-V548 HydrophobicContact CG2-CG2 3.95Å; T544-V548 WeakPolarHBondContact O-CA 3.37Å; T544-V548 VanDerWaalsContact O-CB 3.26Å; T544-V548 WeakPolarHBondContact O-CB 3.32Å; T544-V548 PolarHBondContact O-N 3.31Å
549	D	92.3	Very high	91.6	Very high	84 Å²	84	58 Å²	58	45%	0.449	29%	0.293	S	S	.	.	S	Bend	trans	-84.7	-15.4	178.1	-63.2	-15.6	0	0	0	113.5	T544 R551	T544-D549 PolarHBondContact O-N 3.39Å; D549-R551 HydrophobicContact CB-CB 3.96Å; D549-R551 PolarHBondContact O-N 2.87Å; D549-R551 VanDerWaalsContact O-N 3.14Å; D549-R551 IonicContact OD2-CZ 3.79Å; D549-R551 VanDerWaalsContact OD2-CZ 3.31Å; D549-R551 IonicContact OD2-NE 3.66Å; D549-R551 PolarHBondContact OD2-NE 3.04Å; D549-R551 VanDerWaalsContact OD2-NE 3.16Å; D549-R551 IonicContact OD2-NH2 3.6Å; D549-R551 PolarHBondContact OD2-NH2 3.23Å
550	H	93.3	Very high	91	Very high	31 Å²	31	62.3 Å²	62.3	14%	0.144	32%	0.324	C	S	.	.			trans	46.5	37.3	-165	-64.4	179.3	0	0	0	112.5	A545 K546 F552 S553 Y583 A584	A545-H550 PolarHBondContact O-N 3.4Å; K546-H550 WeakPolarHBondContact O-CA 3.24Å; H550-F552 VanDerWaalsContact C-N 3.31Å; H550-F552 PolarHBondContact O-N 2.77Å; H550-S553 PolarHBondContact O-N 2.97Å; H550-S553 PolarHBondContact O-OG 3.23Å; H550-S553 VanDerWaalsContact O-OG 3.08Å; H550-Y583 AromaticContact CE1-CE1 3.92Å; H550-A584 WeakPolarHBondContact CB-O 3.33Å; H550-A584 PolarHBondContact ND1-O 2.93Å
551	R	93.4	Very high	90.4	Very high	150 Å²	150	61.6 Å²	61.6	57%	0.566	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-34.3	-161.9	-165.6	-177.4	-65.3	-174.5	1.4	113.7	A545 D549	A545-R551 HydrophobicContact CB-CB 4.21Å; A545-R551 WeakPolarHBondContact O-CB 3.4Å; A545-R551 PolarHBondContact O-N 3.26Å; D549-R551 HydrophobicContact CB-CB 3.96Å; D549-R551 PolarHBondContact O-N 2.87Å; D549-R551 VanDerWaalsContact O-N 3.14Å; D549-R551 IonicContact OD2-CZ 3.79Å; D549-R551 VanDerWaalsContact OD2-CZ 3.31Å; D549-R551 IonicContact OD2-NE 3.66Å; D549-R551 PolarHBondContact OD2-NE 3.04Å; D549-R551 VanDerWaalsContact OD2-NE 3.16Å; D549-R551 IonicContact OD2-NH2 3.6Å; D549-R551 PolarHBondContact OD2-NH2 3.23Å
552	F	94.2	Very high	90	Very high	13 Å²	13	56.5 Å²	56.5	6%	0.057	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	4.5	-175.1	-40.1	-64.9	0	0	0	113.2	M519 E520 A521 N522 L523 P528 Y542 A545 K546 H550	M519-F552 CarbonylContact O-C 3.58Å; M519-F552 VanDerWaalsContact O-C 3.25Å; M519-F552 WeakPolarHBondContact O-CB 3.38Å; E520-F552 CarbonylContact C-O 3.6Å; A521-F552 PolarHBondContact N-O 3.35Å; N522-F552 PolarHBondContact N-O 3.04Å; L523-F552 HydrophobicContact CD1-CB 4.38Å; L523-F552 HydrophobicContact CD1-CD1 4.01Å; L523-F552 HydrophobicContact CD1-CD2 4.13Å; L523-F552 HydrophobicContact CD1-CE1 4.31Å; L523-F552 HydrophobicContact CD1-CE2 4.43Å; L523-F552 HydrophobicContact CD1-CG 3.91Å; P528-F552 HydrophobicContact CG-CE1 3.98Å; P528-F552 HydrophobicContact CG-CZ 3.99Å; Y542-F552 AromaticContact CD2-CE2 3.82Å; Y542-F552 HydrophobicContact CD2-CE2 3.82Å; Y542-F552 HydrophobicContact CD2-CZ 4.18Å; Y542-F552 HydrophobicContact CE2-CD2 4.1Å; Y542-F552 AromaticContact CE2-CE2 3.54Å; Y542-F552 HydrophobicContact CE2-CE2 3.54Å; Y542-F552 HydrophobicContact CE2-CZ 4.11Å; A545-F552 HydrophobicContact CB-CE2 3.85Å; A545-F552 HydrophobicContact CB-CZ 3.88Å; K546-F552 HydrophobicContact CB-CD2 4.35Å; K546-F552 HydrophobicContact CB-CE2 4.47Å; H550-F552 VanDerWaalsContact C-N 3.31Å; H550-F552 PolarHBondContact O-N 2.77Å
553	S	92	Very high	89.5	Confident	1 Å²	1	58.5 Å²	58.5	1%	0.007	32%	0.321	C	S	.	.			trans	-69.6	152.2	-178.2	72.2	0	0	0	0	112.5	I518 M519 N522 H550 A584	I518-S553 WeakPolarHBondContact O-CA 3.24Å; M519-S553 PolarHBondContact O-N 3.27Å; N522-S553 PolarHBondContact ND2-O 3.03Å; H550-S553 PolarHBondContact O-N 2.97Å; H550-S553 PolarHBondContact O-OG 3.23Å; H550-S553 VanDerWaalsContact O-OG 3.08Å; S553-A584 PolarHBondContact OG-O 2.97Å
554	R	83.9	Confident	89	Confident	119 Å²	119	60.8 Å²	60.8	45%	0.449	33%	0.333	S	S	.	.			trans	-63	144.3	168.9	-160.7	179.5	-59.9	-160.9	4	109.7	D517 I518 A521 T556 Q581 E585	D517-R554 PolarHBondContact O-NH2 2.89Å; I518-R554 PolarHBondContact O-N 2.96Å; A521-R554 HydrophobicContact CB-CB 3.68Å; A521-R554 HydrophobicContact CB-CG 4.25Å; R554-T556 HydrophobicContact CG-CG2 4.33Å; R554-Q581 PolarHBondContact O-NE2 2.78Å; R554-E585 WeakPolarHBondContact O-CG 3.46Å
555	K	84.8	Confident	88.7	Confident	146 Å²	146	62.6 Å²	62.6	64%	0.635	34%	0.341	S	S	*	.			trans	-124.7	104.4	175.4	-64.3	-178.9	-176.9	176.8	0	109
556	T	80.2	Confident	88.5	Confident	83 Å²	83	67 Å²	67	51%	0.509	36%	0.361	S	S	.	.			trans	-92.7	-36.1	-178	66.9	0	0	0	0	111.8	R554 Q581 E585	R554-T556 HydrophobicContact CG-CG2 4.33Å; T556-Q581 HydrophobicContact CG2-CG 4.31Å; T556-E585 WeakPolarHBondContact CB-OE1 3.47Å; T556-E585 VanDerWaalsContact N-CD 3.27Å; T556-E585 PolarHBondContact N-OE1 3.48Å; T556-E585 PolarHBondContact N-OE2 3.39Å; T556-E585 PolarHBondContact OG1-OE1 2.92Å
557	C	81.9	Confident	88.3	Confident	19 Å²	19	67 Å²	67	13%	0.128	36%	0.361	C	S	.	.			trans	-112.8	126.8	-169.9	-75.8	0	0	0	0	113.3	A562 K563 E566 E585	C557-A562 HydrophobicContact CB-CB 4.17Å; C557-K563 HydrophobicContact CB-CB 4.45Å; C557-K563 HydrophobicContact CB-CD 4.38Å; C557-K563 HydrophobicContact CB-CG 3.39Å; C557-K563 WeakPolarHBondContact O-CE 3.41Å; C557-E566 VanDerWaalsContact SG-CG 3.5Å; C557-E585 PolarHBondContact N-OE2 3.18Å
558	S	78	Confident	88	Confident	124 Å²	124	67.3 Å²	67.3	87%	0.867	36%	0.363	S	S	*	.	S	Bend	trans	-88.7	-12	-179.3	57.5	0	0	0	0	114.9
559	T	85.6	Confident	87.9	Confident	76 Å²	76	68.3 Å²	68.3	47%	0.466	36%	0.363	S	S	.	.	S	Bend	trans	-133.6	150.1	-177.9	71.8	0	0	0	0	111.9	S561 A562 K563	T559-S561 VanDerWaalsContact C-N 3.26Å; T559-S561 PolarHBondContact O-N 2.82Å; T559-A562 PolarHBondContact O-N 3.02Å; T559-A562 WeakPolarHBondContact OG1-CB 3.43Å; T559-A562 PolarHBondContact OG1-N 2.83Å; T559-K563 WeakPolarHBondContact O-CG 3.14Å; T559-K563 PolarHBondContact O-N 3.06Å
560	S	84.4	Confident	88	Confident	95 Å²	95	64.4 Å²	64.4	66%	0.664	34%	0.342	S	S	*	.	H	α-helix	trans	-62.6	-31.2	178.8	-44.5	0	0	0	0	113.2	K563 L564	S560-K563 PolarHBondContact O-N 3.21Å; S560-L564 WeakPolarHBondContact O-CG 3.46Å; S560-L564 PolarHBondContact O-N 2.88Å
561	S	84.9	Confident	88	Confident	79 Å²	79	63 Å²	63	55%	0.552	34%	0.336	S	S	*	.	H	α-helix	trans	-69.9	-41.9	176.4	-176.5	0	0	0	0	112	T559 K563 L564 N565	T559-S561 VanDerWaalsContact C-N 3.26Å; T559-S561 PolarHBondContact O-N 2.82Å; S561-K563 VanDerWaalsContact C-N 3.34Å; S561-K563 PolarHBondContact O-N 3.41Å; S561-L564 PolarHBondContact O-N 3.24Å; S561-N565 PolarHBondContact O-N 3.34Å; S561-N565 PolarHBondContact O-ND2 3.12Å
562	A	87	Confident	87.9	Confident	30 Å²	30	59.9 Å²	59.9	25%	0.248	33%	0.326	C	S	.	.	H	α-helix	trans	-60.6	-45.2	171.8	0	0	0	0	0	111	C557 T559 L564 N565 E566	C557-A562 HydrophobicContact CB-CB 4.17Å; T559-A562 PolarHBondContact O-N 3.02Å; T559-A562 WeakPolarHBondContact OG1-CB 3.43Å; T559-A562 PolarHBondContact OG1-N 2.83Å; A562-L564 VanDerWaalsContact C-N 3.34Å; A562-L564 PolarHBondContact O-N 2.94Å; A562-N565 WeakPolarHBondContact O-CB 3.28Å; A562-N565 PolarHBondContact O-N 2.93Å; A562-E566 PolarHBondContact O-N 3.31Å
563	K	86.5	Confident	87.8	Confident	48 Å²	48	63 Å²	63	21%	0.209	35%	0.349	C	S	.	.	H	α-helix	trans	-57.6	-39.1	176.7	-77.2	-175.5	176.7	-166.8	0	114.3	C557 T559 S560 S561 L567 E585 V587	C557-K563 HydrophobicContact CB-CB 4.45Å; C557-K563 HydrophobicContact CB-CD 4.38Å; C557-K563 HydrophobicContact CB-CG 3.39Å; C557-K563 WeakPolarHBondContact O-CE 3.41Å; T559-K563 WeakPolarHBondContact O-CG 3.14Å; T559-K563 PolarHBondContact O-N 3.06Å; S560-K563 PolarHBondContact O-N 3.21Å; S561-K563 VanDerWaalsContact C-N 3.34Å; S561-K563 PolarHBondContact O-N 3.41Å; K563-L567 PolarHBondContact O-N 2.99Å; K563-E585 VanDerWaalsContact CE-OE2 3.26Å; K563-E585 WeakPolarHBondContact CE-OE2 3.46Å; K563-E585 PolarHBondContact NZ-O 3.48Å; K563-E585 IonicContact NZ-OE2 3.31Å; K563-V587 HydrophobicContact CB-CG2 3.61Å; K563-V587 HydrophobicContact CD-CG2 3.72Å; K563-V587 HydrophobicContact CG-CG2 3.92Å
564	L	88.5	Confident	87.9	Confident	48 Å²	48	67.1 Å²	67.1	25%	0.251	37%	0.365	S	S	.	.	H	α-helix	trans	-74.7	-28.3	175.7	-69.9	173.5	0	0	0	112.8	S560 S561 A562 L567 L568 V587 E591 L593	S560-L564 WeakPolarHBondContact O-CG 3.46Å; S560-L564 PolarHBondContact O-N 2.88Å; S561-L564 PolarHBondContact O-N 3.24Å; A562-L564 VanDerWaalsContact C-N 3.34Å; A562-L564 PolarHBondContact O-N 2.94Å; L564-L567 HydrophobicContact CD2-CD2 4.22Å; L564-L568 WeakPolarHBondContact O-CB 3.39Å; L564-L568 PolarHBondContact O-N 3.43Å; L564-V587 HydrophobicContact CD2-CG1 4.16Å; L564-E591 HydrophobicContact CD2-CB 4.06Å; L564-L593 HydrophobicContact CD2-CD2 4.44Å
565	N	88.9	Confident	88.4	Confident	87 Å²	87	64.8 Å²	64.8	47%	0.465	36%	0.362	S	S	.	.	H	α-helix	trans	-70.6	-43	171.4	-68	-21.7	0	0	0	111.5	S561 A562 L567 L568 E569	S561-N565 PolarHBondContact O-N 3.34Å; S561-N565 PolarHBondContact O-ND2 3.12Å; A562-N565 WeakPolarHBondContact O-CB 3.28Å; A562-N565 PolarHBondContact O-N 2.93Å; N565-L567 VanDerWaalsContact C-N 3.29Å; N565-L567 PolarHBondContact O-N 3.45Å; N565-L568 WeakPolarHBondContact O-CB 3.35Å; N565-L568 PolarHBondContact O-N 3.05Å; N565-L568 VanDerWaalsContact O-N 3.15Å; N565-E569 WeakPolarHBondContact O-CG 3.12Å; N565-E569 PolarHBondContact O-N 3.03Å
566	E	91.4	Very high	89	Confident	96 Å²	96	58.2 Å²	58.2	45%	0.449	33%	0.333	S	S	.	.	H	α-helix	trans	-62.8	-36.2	173	-63	-54.9	143	0	0	111.7	C557 A562 E569 A570 V582	C557-E566 VanDerWaalsContact SG-CG 3.5Å; A562-E566 PolarHBondContact O-N 3.31Å; E566-E569 PolarHBondContact O-N 3.29Å; E566-A570 VanDerWaalsContact O-CB 3.23Å; E566-A570 WeakPolarHBondContact O-CB 3.21Å; E566-A570 PolarHBondContact O-N 3.1Å; E566-V582 HydrophobicContact CB-CG2 3.72Å
567	L	92.2	Very high	89.7	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-60.9	-44.5	171.2	-178.8	56.1	0	0	0	112	K563 L564 N565 I571 L579 V582 V587 L589 L593 A604	K563-L567 PolarHBondContact O-N 2.99Å; L564-L567 HydrophobicContact CD2-CD2 4.22Å; N565-L567 VanDerWaalsContact C-N 3.29Å; N565-L567 PolarHBondContact O-N 3.45Å; L567-I571 WeakPolarHBondContact O-CG1 3.37Å; L567-I571 PolarHBondContact O-N 2.87Å; L567-L579 HydrophobicContact CD1-CD1 3.53Å; L567-V582 HydrophobicContact CB-CG1 3.82Å; L567-V582 HydrophobicContact CD1-CG1 3.99Å; L567-V582 HydrophobicContact CG-CG1 4.39Å; L567-V587 HydrophobicContact CD2-CG1 4Å; L567-L589 HydrophobicContact CD1-CD2 3.75Å; L567-L589 HydrophobicContact CD2-CD2 4.32Å; L567-L593 HydrophobicContact CD2-CD2 4.27Å; L567-L593 HydrophobicContact CG-CD2 4.44Å; L567-A604 HydrophobicContact CD1-CB 4Å; L567-A604 HydrophobicContact CD2-CB 3.97Å; L567-A604 HydrophobicContact CG-CB 3.94Å
568	L	91.4	Very high	90.3	Very high	13 Å²	13	57.9 Å²	57.9	7%	0.068	33%	0.331	C	S	.	.	H	α-helix	trans	-63.1	-46.7	177.1	175.9	62.4	0	0	0	111.6	L564 N565 I571 K572 L593 E595 L607	L564-L568 WeakPolarHBondContact O-CB 3.39Å; L564-L568 PolarHBondContact O-N 3.43Å; N565-L568 WeakPolarHBondContact O-CB 3.35Å; N565-L568 PolarHBondContact O-N 3.05Å; N565-L568 VanDerWaalsContact O-N 3.15Å; L568-I571 PolarHBondContact O-N 3.21Å; L568-K572 HydrophobicContact CD1-CD 4.38Å; L568-K572 HydrophobicContact CG-CD 4.25Å; L568-K572 WeakPolarHBondContact O-CG 3.37Å; L568-K572 PolarHBondContact O-N 3.14Å; L568-K572 VanDerWaalsContact O-N 3.17Å; L568-L593 HydrophobicContact CB-CD1 4.16Å; L568-L593 HydrophobicContact CB-CD2 4.5Å; L568-L593 HydrophobicContact CD1-CB 4.33Å; L568-L593 HydrophobicContact CD1-CD1 3.84Å; L568-E595 HydrophobicContact CD1-CB 4.47Å; L568-L607 HydrophobicContact CD1-CD2 3.53Å
569	E	92	Very high	91.1	Very high	92 Å²	92	52 Å²	52	43%	0.43	29%	0.289	S	S	.	.	H	α-helix	trans	-72.9	-33.5	-178.2	-64.3	-52.3	126.3	0	0	112.6	N565 E566 I571 K572 S573	N565-E569 WeakPolarHBondContact O-CG 3.12Å; N565-E569 PolarHBondContact O-N 3.03Å; E566-E569 PolarHBondContact O-N 3.29Å; E569-I571 VanDerWaalsContact C-N 3.33Å; E569-I571 PolarHBondContact O-N 3.44Å; E569-K572 PolarHBondContact O-N 3.3Å; E569-K572 VanDerWaalsContact O-N 3.17Å; E569-K572 VanDerWaalsContact OE1-CD 3.25Å; E569-K572 WeakPolarHBondContact OE1-CD 3.5Å; E569-K572 IonicContact OE1-NZ 3.38Å; E569-K572 PolarHBondContact OE1-NZ 3.31Å; E569-S573 WeakPolarHBondContact O-CB 3.32Å; E569-S573 PolarHBondContact O-N 3.47Å; E569-S573 PolarHBondContact O-OG 3.4Å
570	A	93.9	Very high	91.6	Very high	3 Å²	3	48.4 Å²	48.4	3%	0.025	27%	0.267	C	S	.	.	H	α-helix	trans	-60.3	-39.6	172.3	0	0	0	0	0	112.7	E566 S573 R574 D575 A578 L579	E566-A570 VanDerWaalsContact O-CB 3.23Å; E566-A570 WeakPolarHBondContact O-CB 3.21Å; E566-A570 PolarHBondContact O-N 3.1Å; A570-S573 PolarHBondContact O-OG 3.38Å; A570-R574 WeakPolarHBondContact O-CA 3.47Å; A570-R574 PolarHBondContact O-N 3.1Å; A570-D575 PolarHBondContact O-N 3.42Å; A570-A578 HydrophobicContact CB-CB 3.81Å; A570-L579 HydrophobicContact CB-CB 4.34Å
571	I	93.1	Very high	92	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-72.9	-29.4	176.3	-60.8	-59	0	0	0	112	L567 L568 E569 L579 A604 L607 A608 L619 L623	L567-I571 WeakPolarHBondContact O-CG1 3.37Å; L567-I571 PolarHBondContact O-N 2.87Å; L568-I571 PolarHBondContact O-N 3.21Å; E569-I571 VanDerWaalsContact C-N 3.33Å; E569-I571 PolarHBondContact O-N 3.44Å; I571-L579 HydrophobicContact CD1-CD1 4.07Å; I571-L579 HydrophobicContact CD1-CD2 3.89Å; I571-A604 HydrophobicContact CG1-CB 4.37Å; I571-L607 HydrophobicContact CB-CD2 4.09Å; I571-L607 HydrophobicContact CG2-CB 4.37Å; I571-L607 HydrophobicContact CG2-CD2 3.73Å; I571-L607 HydrophobicContact CG2-CG 3.73Å; I571-A608 HydrophobicContact CD1-CB 4.44Å; I571-A608 HydrophobicContact CG2-CB 3.91Å; I571-L619 HydrophobicContact CD1-CB 4.4Å; I571-L623 HydrophobicContact CD1-CD1 3.92Å
572	K	90.9	Very high	92.4	Very high	84 Å²	84	41.4 Å²	41.4	37%	0.365	22%	0.216	S	C	.	.	H	α-helix	trans	-76.8	-45.8	175.2	-74.1	168.2	174.7	175.8	0	113.5	L568 E569 R574 E595	L568-K572 HydrophobicContact CD1-CD 4.38Å; L568-K572 HydrophobicContact CG-CD 4.25Å; L568-K572 WeakPolarHBondContact O-CG 3.37Å; L568-K572 PolarHBondContact O-N 3.14Å; L568-K572 VanDerWaalsContact O-N 3.17Å; E569-K572 PolarHBondContact O-N 3.3Å; E569-K572 VanDerWaalsContact O-N 3.17Å; E569-K572 VanDerWaalsContact OE1-CD 3.25Å; E569-K572 WeakPolarHBondContact OE1-CD 3.5Å; E569-K572 IonicContact OE1-NZ 3.38Å; E569-K572 PolarHBondContact OE1-NZ 3.31Å; K572-R574 PolarHBondContact O-N 3.09Å; K572-E595 WeakPolarHBondContact CE-OE1 3.24Å; K572-E595 IonicContact NZ-OE1 2.78Å
573	S	93.3	Very high	92.6	Very high	78 Å²	78	41.9 Å²	41.9	55%	0.545	21%	0.212	S	C	.	.	H	α-helix	trans	-69	-20.2	176.3	67.7	0	0	0	0	112.2	E569 A570 D575	E569-S573 WeakPolarHBondContact O-CB 3.32Å; E569-S573 PolarHBondContact O-N 3.47Å; E569-S573 PolarHBondContact O-OG 3.4Å; A570-S573 PolarHBondContact O-OG 3.38Å; S573-D575 WeakPolarHBondContact OG-CB 3.33Å; S573-D575 PolarHBondContact OG-N 3.05Å
574	R	93.6	Very high	92.9	Very high	89 Å²	89	39.7 Å²	39.7	34%	0.336	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	67	34.3	-174.6	-58.9	168.6	165.3	-165.6	-6.4	113.2	A570 K572 T611 D613 T615 L619	A570-R574 WeakPolarHBondContact O-CA 3.47Å; A570-R574 PolarHBondContact O-N 3.1Å; K572-R574 PolarHBondContact O-N 3.09Å; R574-T611 PolarHBondContact NH2-O 3.05Å; R574-D613 IonicContact CZ-OD1 2.7Å; R574-D613 IonicContact CZ-OD2 3.51Å; R574-D613 IonicContact NH1-OD1 3.47Å; R574-D613 PolarHBondContact NH1-OD1 3.44Å; R574-D613 IonicContact NH1-OD2 2.72Å; R574-D613 PolarHBondContact NH1-OD2 2.86Å; R574-D613 IonicContact NH2-OD1 2.7Å; R574-D613 IonicContact NH2-OD2 3.51Å; R574-D613 PolarHBondContact NH2-OD2 2.73Å; R574-T615 PolarHBondContact NH1-OG1 3.38Å; R574-L619 HydrophobicContact CB-CD1 3.79Å; R574-L619 HydrophobicContact CG-CD1 4.04Å
575	D	94.8	Very high	93	Very high	70 Å²	70	38.2 Å²	38.2	37%	0.374	19%	0.194	S	C	.	.			trans	-93.7	106.9	-178.4	-172.6	-20.4	0	0	0	111.4	A570 S573 L577 A578 L579	A570-D575 PolarHBondContact O-N 3.42Å; S573-D575 WeakPolarHBondContact OG-CB 3.33Å; S573-D575 PolarHBondContact OG-N 3.05Å; D575-L577 VanDerWaalsContact C-N 3.34Å; D575-L577 WeakPolarHBondContact OD1-CA 3.45Å; D575-L577 WeakPolarHBondContact OD1-CB 3.46Å; D575-L577 PolarHBondContact OD1-N 3Å; D575-A578 HydrophobicContact CB-CB 3.77Å; D575-A578 PolarHBondContact OD1-N 3.24Å; D575-L579 WeakPolarHBondContact O-CB 3.12Å; D575-L579 PolarHBondContact O-N 2.9Å
576	L	95.6	Very high	93	Very high	8 Å²	8	36.9 Å²	36.9	4%	0.042	20%	0.202	C	C	.	.	H	α-helix	trans	-67.4	-31.7	176.7	-177.9	59.3	0	0	0	112.8	L506 N509 V510 L579 I580 H618 L619 F622	L506-L576 HydrophobicContact CD2-CD1 4.48Å; L506-L576 HydrophobicContact CD2-CD2 4.42Å; N509-L576 HydrophobicContact CB-CD2 3.78Å; V510-L576 HydrophobicContact CG2-CD2 3.6Å; V510-L576 HydrophobicContact CG2-CG 4.24Å; L576-L579 HydrophobicContact CD1-CD2 4.38Å; L576-L579 PolarHBondContact O-N 3.2Å; L576-I580 HydrophobicContact CD1-CD1 4.27Å; L576-I580 HydrophobicContact CD1-CG1 4.47Å; L576-I580 HydrophobicContact CG-CD1 4Å; L576-I580 WeakPolarHBondContact O-CB 3.44Å; L576-I580 VanDerWaalsContact O-CG1 3.24Å; L576-I580 WeakPolarHBondContact O-CG1 3.43Å; L576-I580 PolarHBondContact O-N 3.46Å; L576-H618 HydrophobicContact CD2-CB 4.19Å; L576-L619 HydrophobicContact CB-CD2 4.05Å; L576-L619 HydrophobicContact CD1-CD2 4.29Å; L576-F622 HydrophobicContact CD1-CB 3.81Å; L576-F622 HydrophobicContact CD1-CD2 4.31Å; L576-F622 HydrophobicContact CD1-CG 4.05Å
577	L	95.7	Very high	92.8	Very high	64 Å²	64	33.1 Å²	33.1	34%	0.335	19%	0.185	S	C	.	.	H	α-helix	trans	-75.6	-38	179.7	-62.1	-179.3	0	0	0	110.4	I518 D575 L579 I580 Q581	I518-L577 HydrophobicContact CD1-CB 4.15Å; I518-L577 HydrophobicContact CD1-CD2 4.34Å; I518-L577 VanDerWaalsContact CD1-O 3.27Å; I518-L577 WeakPolarHBondContact CD1-O 3.41Å; D575-L577 VanDerWaalsContact C-N 3.34Å; D575-L577 WeakPolarHBondContact OD1-CA 3.45Å; D575-L577 WeakPolarHBondContact OD1-CB 3.46Å; D575-L577 PolarHBondContact OD1-N 3Å; L577-L579 VanDerWaalsContact C-N 3.34Å; L577-I580 HydrophobicContact CD2-CD1 4.49Å; L577-I580 PolarHBondContact O-N 3.17Å; L577-Q581 WeakPolarHBondContact O-CB 3.37Å; L577-Q581 PolarHBondContact O-N 2.81Å
578	A	94.8	Very high	92.6	Very high	30 Å²	30	40.1 Å²	40.1	25%	0.248	22%	0.218	C	C	.	.	H	α-helix	trans	-61.5	-41.3	168.2	0	0	0	0	0	111.8	A570 D575 I580 Q581 V582	A570-A578 HydrophobicContact CB-CB 3.81Å; D575-A578 HydrophobicContact CB-CB 3.77Å; D575-A578 PolarHBondContact OD1-N 3.24Å; A578-I580 PolarHBondContact O-N 3.25Å; A578-Q581 WeakPolarHBondContact O-CB 2.78Å; A578-Q581 PolarHBondContact O-N 2.89Å; A578-V582 WeakPolarHBondContact O-CB 3.48Å; A578-V582 VanDerWaalsContact O-CG2 3.31Å; A578-V582 WeakPolarHBondContact O-CG2 3.37Å; A578-V582 PolarHBondContact O-N 3.15Å
579	L	95.3	Very high	92.5	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-63.5	-40.2	175.2	-178.6	60	0	0	0	112.5	L567 A570 I571 D575 L576 L577 V582 Y583 L589 L619 F622 L623	L567-L579 HydrophobicContact CD1-CD1 3.53Å; A570-L579 HydrophobicContact CB-CB 4.34Å; I571-L579 HydrophobicContact CD1-CD1 4.07Å; I571-L579 HydrophobicContact CD1-CD2 3.89Å; D575-L579 WeakPolarHBondContact O-CB 3.12Å; D575-L579 PolarHBondContact O-N 2.9Å; L576-L579 HydrophobicContact CD1-CD2 4.38Å; L576-L579 PolarHBondContact O-N 3.2Å; L577-L579 VanDerWaalsContact C-N 3.34Å; L579-V582 PolarHBondContact O-N 3.42Å; L579-Y583 WeakPolarHBondContact O-CB 3.34Å; L579-Y583 PolarHBondContact O-N 3.4Å; L579-L589 HydrophobicContact CD1-CD2 4.24Å; L579-L619 HydrophobicContact CD2-CB 4.41Å; L579-L619 HydrophobicContact CD2-CD2 4.01Å; L579-F622 HydrophobicContact CD2-CB 4.24Å; L579-F622 HydrophobicContact CD2-CD1 3.66Å; L579-F622 HydrophobicContact CD2-CE1 4.49Å; L579-F622 HydrophobicContact CD2-CG 4.26Å; L579-F622 HydrophobicContact CG-CD1 3.72Å; L579-F622 HydrophobicContact CG-CE1 4.06Å; L579-L623 HydrophobicContact CD1-CD2 4.1Å; L579-L623 HydrophobicContact CD2-CD2 4.4Å; L579-L623 HydrophobicContact CD2-CG 4.28Å
580	I	95.1	Very high	92.2	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-67.5	-39	174.3	-70.5	164.7	0	0	0	111.1	V510 F515 I518 L576 L577 A578 Y583 A584 F622	V510-I580 HydrophobicContact CG1-CD1 4.1Å; V510-I580 HydrophobicContact CG2-CD1 3.61Å; F515-I580 HydrophobicContact CD2-CG2 4.2Å; F515-I580 HydrophobicContact CE2-CG2 4.19Å; I518-I580 HydrophobicContact CD1-CB 4.09Å; I518-I580 HydrophobicContact CD1-CG2 3.85Å; I518-I580 HydrophobicContact CG2-CG2 4.3Å; L576-I580 HydrophobicContact CD1-CD1 4.27Å; L576-I580 HydrophobicContact CD1-CG1 4.47Å; L576-I580 HydrophobicContact CG-CD1 4Å; L576-I580 WeakPolarHBondContact O-CB 3.44Å; L576-I580 VanDerWaalsContact O-CG1 3.24Å; L576-I580 WeakPolarHBondContact O-CG1 3.43Å; L576-I580 PolarHBondContact O-N 3.46Å; L577-I580 HydrophobicContact CD2-CD1 4.49Å; L577-I580 PolarHBondContact O-N 3.17Å; A578-I580 PolarHBondContact O-N 3.25Å; I580-Y583 PolarHBondContact O-N 2.93Å; I580-A584 VanDerWaalsContact O-CB 3.26Å; I580-A584 WeakPolarHBondContact O-CB 3.39Å; I580-A584 PolarHBondContact O-N 2.89Å; I580-F622 HydrophobicContact CD1-CE2 4.29Å; I580-F622 HydrophobicContact CG1-CD2 4.07Å; I580-F622 HydrophobicContact CG1-CE1 4.43Å; I580-F622 HydrophobicContact CG1-CE2 3.57Å; I580-F622 HydrophobicContact CG1-CZ 3.77Å
581	Q	94	Very high	91.9	Very high	21 Å²	21	40.3 Å²	40.3	10%	0.098	22%	0.218	C	C	.	.	H	α-helix	trans	-60.5	-44.9	173.5	173	60.5	56.7	0	0	111.7	I518 R554 T556 L577 A578 A584 E585	I518-Q581 HydrophobicContact CD1-CB 4.42Å; I518-Q581 HydrophobicContact CG1-CB 4.49Å; I518-Q581 HydrophobicContact CG2-CB 4.29Å; R554-Q581 PolarHBondContact O-NE2 2.78Å; T556-Q581 HydrophobicContact CG2-CG 4.31Å; L577-Q581 WeakPolarHBondContact O-CB 3.37Å; L577-Q581 PolarHBondContact O-N 2.81Å; A578-Q581 WeakPolarHBondContact O-CB 2.78Å; A578-Q581 PolarHBondContact O-N 2.89Å; Q581-A584 PolarHBondContact O-N 2.96Å; Q581-E585 PolarHBondContact NE2-OE1 3.29Å; Q581-E585 PolarHBondContact O-N 2.83Å; Q581-E585 VanDerWaalsContact O-N 3.07Å
582	V	92.3	Very high	91.6	Very high	7 Å²	7	42.6 Å²	42.6	4%	0.042	23%	0.233	C	C	.	.	H	α-helix	trans	-63.6	-42.1	175.7	165.7	0	0	0	0	111.3	E566 L567 A578 L579 E585 V587	E566-V582 HydrophobicContact CB-CG2 3.72Å; L567-V582 HydrophobicContact CB-CG1 3.82Å; L567-V582 HydrophobicContact CD1-CG1 3.99Å; L567-V582 HydrophobicContact CG-CG1 4.39Å; A578-V582 WeakPolarHBondContact O-CB 3.48Å; A578-V582 VanDerWaalsContact O-CG2 3.31Å; A578-V582 WeakPolarHBondContact O-CG2 3.37Å; A578-V582 PolarHBondContact O-N 3.15Å; L579-V582 PolarHBondContact O-N 3.42Å; V582-E585 PolarHBondContact O-N 2.97Å; V582-V587 HydrophobicContact CG1-CB 3.79Å; V582-V587 HydrophobicContact CG1-CG1 3.96Å; V582-V587 HydrophobicContact CG1-CG2 3.83Å; V582-V587 WeakPolarHBondContact O-CB 3.43Å; V582-V587 WeakPolarHBondContact O-CG2 3.46Å
583	Y	92.1	Very high	91.4	Very high	40 Å²	40	39 Å²	39	16%	0.157	22%	0.218	C	C	.	.	H	α-helix	trans	-63.6	-43.4	172.5	172.6	-99.7	0	0	0	112.7	L469 H550 L579 I580 E585 G586 L589 F622 N626	L469-Y583 HydrophobicContact CD2-CE1 4.46Å; H550-Y583 AromaticContact CE1-CE1 3.92Å; L579-Y583 WeakPolarHBondContact O-CB 3.34Å; L579-Y583 PolarHBondContact O-N 3.4Å; I580-Y583 PolarHBondContact O-N 2.93Å; Y583-E585 PolarHBondContact O-N 3.1Å; Y583-G586 PolarHBondContact O-N 3.06Å; Y583-L589 HydrophobicContact CD2-CD1 3.87Å; Y583-F622 AromaticContact CD1-CZ 3.9Å; Y583-F622 HydrophobicContact CD1-CZ 3.9Å; Y583-F622 HydrophobicContact CD2-CE1 4.49Å; Y583-F622 HydrophobicContact CD2-CZ 4.42Å; Y583-F622 HydrophobicContact CG-CE1 4.12Å; Y583-F622 AromaticContact CG-CZ 3.81Å; Y583-F622 HydrophobicContact CG-CZ 3.81Å; Y583-N626 HydrophobicContact CD2-CB 4.45Å; Y583-N626 HydrophobicContact CE2-CB 3.97Å
584	A	92.6	Very high	90.2	Very high	2 Å²	2	42.9 Å²	42.9	2%	0.017	23%	0.232	C	C	.	.	H	α-helix	trans	-61.5	-24.8	176.7	0	0	0	0	0	112.9	I518 M519 H550 S553 I580 Q581 G586	I518-A584 HydrophobicContact CG2-CB 3.84Å; M519-A584 HydrophobicContact SD-CB 3.45Å; M519-A584 WeakPolarHBondContact SD-CB 3.48Å; H550-A584 WeakPolarHBondContact CB-O 3.33Å; H550-A584 PolarHBondContact ND1-O 2.93Å; S553-A584 PolarHBondContact OG-O 2.97Å; I580-A584 VanDerWaalsContact O-CB 3.26Å; I580-A584 WeakPolarHBondContact O-CB 3.39Å; I580-A584 PolarHBondContact O-N 2.89Å; Q581-A584 PolarHBondContact O-N 2.96Å; A584-G586 VanDerWaalsContact C-N 3.29Å
585	E	90.6	Very high	89.1	Confident	16 Å²	16	40.8 Å²	40.8	8%	0.075	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	4.6	172.6	-77.7	-170.8	-129.3	0	0	114.7	R554 T556 C557 K563 Q581 V582 Y583	R554-E585 WeakPolarHBondContact O-CG 3.46Å; T556-E585 WeakPolarHBondContact CB-OE1 3.47Å; T556-E585 VanDerWaalsContact N-CD 3.27Å; T556-E585 PolarHBondContact N-OE1 3.48Å; T556-E585 PolarHBondContact N-OE2 3.39Å; T556-E585 PolarHBondContact OG1-OE1 2.92Å; C557-E585 PolarHBondContact N-OE2 3.18Å; K563-E585 VanDerWaalsContact CE-OE2 3.26Å; K563-E585 WeakPolarHBondContact CE-OE2 3.46Å; K563-E585 PolarHBondContact NZ-O 3.48Å; K563-E585 IonicContact NZ-OE2 3.31Å; Q581-E585 PolarHBondContact NE2-OE1 3.29Å; Q581-E585 PolarHBondContact O-N 2.83Å; Q581-E585 VanDerWaalsContact O-N 3.07Å; V582-E585 PolarHBondContact O-N 2.97Å; Y583-E585 PolarHBondContact O-N 3.1Å
586	G	87.7	Confident	87.3	Confident	60 Å²	60	43.7 Å²	43.7	62%	0.619	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.8	41.6	174.4	0	0	0	0	0	113.6	Y583 A584	Y583-G586 PolarHBondContact O-N 3.06Å; A584-G586 VanDerWaalsContact C-N 3.29Å
587	V	88.9	Confident	85.6	Confident	16 Å²	16	47.6 Å²	47.6	10%	0.097	29%	0.29	C	S	.	.			trans	-86.3	132.8	179.6	177.7	0	0	0	0	111.3	K563 L564 L567 V582 L589	K563-V587 HydrophobicContact CB-CG2 3.61Å; K563-V587 HydrophobicContact CD-CG2 3.72Å; K563-V587 HydrophobicContact CG-CG2 3.92Å; L564-V587 HydrophobicContact CD2-CG1 4.16Å; L567-V587 HydrophobicContact CD2-CG1 4Å; V582-V587 HydrophobicContact CG1-CB 3.79Å; V582-V587 HydrophobicContact CG1-CG1 3.96Å; V582-V587 HydrophobicContact CG1-CG2 3.83Å; V582-V587 WeakPolarHBondContact O-CB 3.43Å; V582-V587 WeakPolarHBondContact O-CG2 3.46Å; V587-L589 VanDerWaalsContact C-N 3.33Å; V587-L589 PolarHBondContact O-N 2.9Å
588	E	86.4	Confident	84.4	Confident	148 Å²	148	45.8 Å²	45.8	69%	0.692	28%	0.28	S	S	*	.			trans	-70.6	88.5	172	-68	-168.1	-138	0	0	110.3	M590 E591	E588-M590 PolarHBondContact O-N 2.99Å; E588-E591 HydrophobicContact CB-CG 3.94Å; E588-E591 PolarHBondContact O-N 3.2Å
589	L	89.1	Confident	83.7	Confident	9 Å²	9	45.9 Å²	45.9	5%	0.047	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-18.2	-178.1	-61.8	176	0	0	0	114.8	L567 L579 Y583 V587 F622 L623 N626 C627	L567-L589 HydrophobicContact CD1-CD2 3.75Å; L567-L589 HydrophobicContact CD2-CD2 4.32Å; L579-L589 HydrophobicContact CD1-CD2 4.24Å; Y583-L589 HydrophobicContact CD2-CD1 3.87Å; V587-L589 VanDerWaalsContact C-N 3.33Å; V587-L589 PolarHBondContact O-N 2.9Å; L589-F622 HydrophobicContact CD1-CE1 4.46Å; L589-L623 HydrophobicContact CB-CD2 4.17Å; L589-L623 HydrophobicContact CD1-CD2 4.07Å; L589-L623 HydrophobicContact CD2-CD2 4.18Å; L589-L623 HydrophobicContact CG-CD2 4.38Å; L589-N626 HydrophobicContact CD1-CB 4.45Å; L589-C627 WeakPolarHBondContact CB-SG 3.36Å
590	M	87.4	Confident	83.1	Confident	24 Å²	24	52 Å²	52	12%	0.118	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97	4.2	178.9	-70.4	-65.6	90.7	0	0	114.2	E588 T603 L605 C627 K632	E588-M590 PolarHBondContact O-N 2.99Å; M590-T603 WeakPolarHBondContact O-CG2 3.37Å; M590-L605 HydrophobicContact CE-CB 3.65Å; M590-L605 HydrophobicContact CE-CD2 4.3Å; M590-C627 HydrophobicContact CE-CB 3.84Å; M590-C627 WeakPolarHBondContact CE-SG 3.49Å; M590-C627 HydrophobicContact CG-CB 3.81Å; M590-C627 HydrophobicContact SD-CB 3.92Å; M590-K632 HydrophobicContact CB-CD 4.44Å; M590-K632 WeakPolarHBondContact O-CD 3.2Å; M590-K632 WeakPolarHBondContact O-CE 3.34Å; M590-K632 PolarHBondContact O-NZ 3.07Å
591	E	87.5	Confident	82.7	Confident	79 Å²	79	53 Å²	53	37%	0.369	32%	0.318	S	S	.	.	S	Bend	trans	-70.2	147.4	171.3	-78.3	-72	-111.5	0	0	112.3	L564 E588 K632	L564-E591 HydrophobicContact CD2-CB 4.06Å; E588-E591 HydrophobicContact CB-CG 3.94Å; E588-E591 PolarHBondContact O-N 3.2Å; E591-K632 IonicContact OE2-NZ 3.16Å; E591-K632 PolarHBondContact OE2-NZ 2.65Å
592	P	87	Confident	82.5	Confident	49 Å²	49	52.1 Å²	52.1	32%	0.318	31%	0.314	S	S	.	.	B	Isolated β-bridge	trans	-64.1	139.1	178.2	-22.4	35	0	0	0	111.8	E602	P592-E602 CarbonylContact C-O 3.56Å; P592-E602 VanDerWaalsContact CA-O 3.29Å; P592-E602 WeakPolarHBondContact CA-O 3.49Å
593	L	84.9	Confident	82.5	Confident	9 Å²	9	51.8 Å²	51.8	5%	0.047	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-90.9	157.3	171.9	-56.8	-178.1	0	0	0	110.1	L564 L567 L568 Q598 E602 A604 L607	L564-L593 HydrophobicContact CD2-CD2 4.44Å; L567-L593 HydrophobicContact CD2-CD2 4.27Å; L567-L593 HydrophobicContact CG-CD2 4.44Å; L568-L593 HydrophobicContact CB-CD1 4.16Å; L568-L593 HydrophobicContact CB-CD2 4.5Å; L568-L593 HydrophobicContact CD1-CB 4.33Å; L568-L593 HydrophobicContact CD1-CD1 3.84Å; L593-Q598 PolarHBondContact O-OE1 3.38Å; L593-E602 PolarHBondContact N-O 3.5Å; L593-A604 HydrophobicContact CD1-CB 3.99Å; L593-L607 HydrophobicContact CD1-CD2 3.99Å
594	L	69.9	Low	82.5	Confident	158 Å²	158	49.9 Å²	49.9	83%	0.827	30%	0.304	S	S	*	.			trans	-115.9	65.3	-176.6	-73.3	168.4	0	0	0	110.7
595	E	69.2	Low	82.5	Confident	46 Å²	46	49.8 Å²	49.8	22%	0.215	30%	0.304	C	S	.	.			trans	-88.7	131.9	173.1	177.2	169.5	-105.2	0	0	112	L568 K572 G597 Q598 R610	L568-E595 HydrophobicContact CD1-CB 4.47Å; K572-E595 WeakPolarHBondContact CE-OE1 3.24Å; K572-E595 IonicContact NZ-OE1 2.78Å; E595-G597 PolarHBondContact O-N 3.17Å; E595-Q598 HydrophobicContact CB-CB 4Å; E595-Q598 WeakPolarHBondContact O-CB 3.49Å; E595-Q598 PolarHBondContact O-N 2.9Å; E595-R610 IonicContact OE2-CZ 2.63Å; E595-R610 IonicContact OE2-NH1 3.14Å; E595-R610 IonicContact OE2-NH2 3.44Å; E595-R610 PolarHBondContact OE2-NH2 3.39Å
596	P	56.4	Low	82.7	Confident	131 Å²	131	49.1 Å²	49.1	85%	0.851	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	120.7	173.4	-24.1	34.8	0	0	0	112.4
597	G	60.7	Low	82.9	Confident	89 Å²	89	46.3 Å²	46.3	92%	0.918	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.8	3.4	-178.5	0	0	0	0	0	115.2	E595	E595-G597 PolarHBondContact O-N 3.17Å
598	Q	70.1	Confident	83.1	Confident	26 Å²	26	45.8 Å²	45.8	12%	0.121	27%	0.268	C	S	.	.	S	Bend	trans	-81.7	158.4	175.8	-164.3	171.1	28.7	0	0	112.3	L593 E595 E602	L593-Q598 PolarHBondContact O-OE1 3.38Å; E595-Q598 HydrophobicContact CB-CB 4Å; E595-Q598 WeakPolarHBondContact O-CB 3.49Å; E595-Q598 PolarHBondContact O-N 2.9Å; Q598-E602 HydrophobicContact CG-CB 3.7Å; Q598-E602 HydrophobicContact CG-CG 3.86Å; Q598-E602 WeakPolarHBondContact CG-OE1 2.95Å; Q598-E602 VanDerWaalsContact CG-OE2 3.26Å; Q598-E602 WeakPolarHBondContact CG-OE2 3.45Å; Q598-E602 PolarHBondContact NE2-OE2 2.88Å
599	E	79.9	Confident	83.5	Confident	32 Å²	32	38.7 Å²	38.7	15%	0.15	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-70.5	132	167.2	-150.9	-157.3	117.5	0	0	109.9	G601 E602 T634 A635 L636 N638 Y643	E599-G601 PolarHBondContact O-N 3.18Å; E599-E602 HydrophobicContact CB-CG 4.14Å; E599-E602 PolarHBondContact N-OE1 3.32Å; E599-E602 VanDerWaalsContact N-OE1 3.13Å; E599-E602 PolarHBondContact O-N 3.26Å; E599-E602 VanDerWaalsContact O-N 3.12Å; E599-T634 VanDerWaalsContact CD-OG1 3.23Å; E599-T634 WeakPolarHBondContact OE1-CB 3.4Å; E599-T634 PolarHBondContact OE1-OG1 3.24Å; E599-T634 PolarHBondContact OE2-OG1 3.45Å; E599-A635 PolarHBondContact OE1-N 3.13Å; E599-L636 HydrophobicContact CG-CD1 4.05Å; E599-L636 HydrophobicContact CG-CG 4.14Å; E599-L636 WeakPolarHBondContact OE1-CB 3.43Å; E599-L636 VanDerWaalsContact OE1-CG 3.3Å; E599-L636 WeakPolarHBondContact OE1-CG 3.29Å; E599-L636 PolarHBondContact OE1-N 3.42Å; E599-N638 PolarHBondContact OE2-ND2 3.44Å; E599-Y643 WeakPolarHBondContact CB-OH 3.39Å
600	L	83.1	Confident	83.7	Confident	129 Å²	129	41.1 Å²	41.1	68%	0.675	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	130.2	179.2	-68.9	175.9	0	0	0	110.1	A635	L600-A635 HydrophobicContact CB-CB 3.91Å; L600-A635 WeakPolarHBondContact O-CB 3.4Å; L600-A635 PolarHBondContact O-N 3.07Å
601	G	85.9	Confident	83.8	Confident	21 Å²	21	42.4 Å²	42.4	22%	0.216	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	91.9	-2.9	-178	0	0	0	0	0	115.4	E599 T603	E599-G601 PolarHBondContact O-N 3.18Å; G601-T603 PolarHBondContact O-N 2.91Å
602	E	90	Very high	84	Confident	4 Å²	4	38.9 Å²	38.9	2%	0.019	24%	0.238	C	C	.	.			trans	-56.6	131.1	169.5	-84.8	-174	-136.4	0	0	111.6	P592 L593 Q598 E599 H606 R610 T634 Y643	P592-E602 CarbonylContact C-O 3.56Å; P592-E602 VanDerWaalsContact CA-O 3.29Å; P592-E602 WeakPolarHBondContact CA-O 3.49Å; L593-E602 PolarHBondContact N-O 3.5Å; Q598-E602 HydrophobicContact CG-CB 3.7Å; Q598-E602 HydrophobicContact CG-CG 3.86Å; Q598-E602 WeakPolarHBondContact CG-OE1 2.95Å; Q598-E602 VanDerWaalsContact CG-OE2 3.26Å; Q598-E602 WeakPolarHBondContact CG-OE2 3.45Å; Q598-E602 PolarHBondContact NE2-OE2 2.88Å; E599-E602 HydrophobicContact CB-CG 4.14Å; E599-E602 PolarHBondContact N-OE1 3.32Å; E599-E602 VanDerWaalsContact N-OE1 3.13Å; E599-E602 PolarHBondContact O-N 3.26Å; E599-E602 VanDerWaalsContact O-N 3.12Å; E602-H606 HydrophobicContact CB-CB 3.98Å; E602-H606 HydrophobicContact CG-CB 3.79Å; E602-R610 IonicContact OE1-NE 2.69Å; E602-R610 IonicContact OE2-CZ 3.18Å; E602-R610 IonicContact OE2-NE 2.88Å; E602-R610 PolarHBondContact OE2-NE 3.22Å; E602-R610 IonicContact OE2-NH2 3.51Å; E602-R610 PolarHBondContact OE2-NH2 3.09Å; E602-T634 HydrophobicContact CG-CG2 3.99Å; E602-Y643 VanDerWaalsContact CD-CE1 3.47Å; E602-Y643 HydrophobicContact CG-CE1 3.89Å; E602-Y643 VanDerWaalsContact CG-OH 3.22Å; E602-Y643 WeakPolarHBondContact CG-OH 3.38Å; E602-Y643 PolarHBondContact OE1-OH 2.9Å
603	T	92.3	Very high	84	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-92.9	171	173.2	69	0	0	0	0	111.2	M590 G601 L605 H606 L607 K632	M590-T603 WeakPolarHBondContact O-CG2 3.37Å; G601-T603 PolarHBondContact O-N 2.91Å; T603-L605 PolarHBondContact O-N 3.35Å; T603-L605 VanDerWaalsContact O-N 3.08Å; T603-L605 PolarHBondContact OG1-N 3.44Å; T603-H606 PolarHBondContact N-ND1 3.07Å; T603-H606 WeakPolarHBondContact O-CB 3.35Å; T603-H606 PolarHBondContact O-N 3.16Å; T603-H606 PolarHBondContact OG1-ND1 3.26Å; T603-L607 PolarHBondContact O-N 3.39Å; T603-L607 VanDerWaalsContact O-N 3.11Å; T603-K632 HydrophobicContact CG2-CD 3.98Å; T603-K632 HydrophobicContact CG2-CG 4.37Å
604	A	92.3	Very high	83.7	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-50.6	-33.7	173.1	0	0	0	0	0	113.5	L567 I571 L593 A608 L623	L567-A604 HydrophobicContact CD1-CB 4Å; L567-A604 HydrophobicContact CD2-CB 3.97Å; L567-A604 HydrophobicContact CG-CB 3.94Å; I571-A604 HydrophobicContact CG1-CB 4.37Å; L593-A604 HydrophobicContact CD1-CB 3.99Å; A604-A608 VanDerWaalsContact O-CB 3.3Å; A604-A608 WeakPolarHBondContact O-CB 3.49Å; A604-A608 PolarHBondContact O-N 3.33Å; A604-L623 HydrophobicContact CB-CD1 4.26Å; A604-L623 HydrophobicContact CB-CD2 4.44Å
605	L	94.1	Very high	84.5	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-76.1	-31.9	178.7	178.5	56.6	0	0	0	113.2	M590 T603 V609 V620 L623 V624 L630 V640 L656	M590-L605 HydrophobicContact CE-CB 3.65Å; M590-L605 HydrophobicContact CE-CD2 4.3Å; T603-L605 PolarHBondContact O-N 3.35Å; T603-L605 VanDerWaalsContact O-N 3.08Å; T603-L605 PolarHBondContact OG1-N 3.44Å; L605-V609 HydrophobicContact CD1-CG2 4.18Å; L605-V609 WeakPolarHBondContact O-CG2 3.27Å; L605-V609 PolarHBondContact O-N 3.03Å; L605-V609 VanDerWaalsContact O-N 3.07Å; L605-V620 HydrophobicContact CD1-CG1 4.12Å; L605-L623 HydrophobicContact CB-CB 4.31Å; L605-L623 HydrophobicContact CB-CD1 4.02Å; L605-L623 HydrophobicContact CD1-CB 3.93Å; L605-L623 HydrophobicContact CD1-CD1 4.27Å; L605-V624 HydrophobicContact CD1-CG2 3.81Å; L605-V624 HydrophobicContact CD2-CG2 4.05Å; L605-L630 HydrophobicContact CD2-CD2 3.73Å; L605-V640 HydrophobicContact CD1-CG1 4.29Å; L605-V640 HydrophobicContact CD2-CG1 4.37Å; L605-V640 HydrophobicContact CD2-CG2 3.91Å; L605-V640 HydrophobicContact CG-CB 4.49Å; L605-V640 HydrophobicContact CG-CG1 3.84Å; L605-V640 HydrophobicContact CG-CG2 3.87Å; L605-L656 HydrophobicContact CD2-CD2 4.34Å
606	H	93.4	Very high	85.6	Confident	1 Å²	1	37.3 Å²	37.3	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-66.1	-45.9	171.1	-69.7	82.9	0	0	0	110.8	E602 T603 V609 R610 K632 T639 V640 Y643	E602-H606 HydrophobicContact CB-CB 3.98Å; E602-H606 HydrophobicContact CG-CB 3.79Å; T603-H606 PolarHBondContact N-ND1 3.07Å; T603-H606 WeakPolarHBondContact O-CB 3.35Å; T603-H606 PolarHBondContact O-N 3.16Å; T603-H606 PolarHBondContact OG1-ND1 3.26Å; H606-V609 PolarHBondContact O-N 3.3Å; H606-R610 WeakPolarHBondContact O-CB 3.44Å; H606-R610 PolarHBondContact O-N 3.08Å; H606-K632 PolarHBondContact CE1-O 3.44Å; H606-K632 VanDerWaalsContact CE1-O 3.28Å; H606-T639 VanDerWaalsContact NE2-C 3.32Å; H606-V640 PolarHBondContact NE2-N 3.27Å; H606-V640 VanDerWaalsContact NE2-N 3.2Å; H606-Y643 HydrophobicContact CB-CD1 3.97Å; H606-Y643 HydrophobicContact CB-CE1 3.96Å; H606-Y643 AromaticContact CD2-CD2 3.78Å; H606-Y643 AromaticContact CD2-CE2 3.97Å; H606-Y643 AromaticContact CD2-CG 3.89Å
607	L	92.2	Very high	87.4	Confident	2 Å²	2	31.2 Å²	31.2	1%	0.01	19%	0.188	C	C	.	.	H	α-helix	trans	-58.7	-50	174.5	174.8	65	0	0	0	111.4	L568 I571 L593 T603 V609 R610 T611	L568-L607 HydrophobicContact CD1-CD2 3.53Å; I571-L607 HydrophobicContact CB-CD2 4.09Å; I571-L607 HydrophobicContact CG2-CB 4.37Å; I571-L607 HydrophobicContact CG2-CD2 3.73Å; I571-L607 HydrophobicContact CG2-CG 3.73Å; L593-L607 HydrophobicContact CD1-CD2 3.99Å; T603-L607 PolarHBondContact O-N 3.39Å; T603-L607 VanDerWaalsContact O-N 3.11Å; L607-V609 PolarHBondContact O-N 2.88Å; L607-R610 VanDerWaalsContact CD1-NH2 3.26Å; L607-R610 WeakPolarHBondContact O-CB 3.36Å; L607-R610 PolarHBondContact O-N 2.63Å; L607-R610 VanDerWaalsContact O-N 3.14Å; L607-T611 HydrophobicContact CD1-CG2 3.97Å; L607-T611 PolarHBondContact O-N 2.88Å; L607-T611 PolarHBondContact O-OG1 2.84Å; L607-T611 VanDerWaalsContact O-OG1 3.08Å
608	A	94.1	Very high	89	Confident	4 Å²	4	27.8 Å²	27.8	3%	0.033	15%	0.148	C	C	.	.	H	α-helix	trans	-58.9	-44	-179.9	0	0	0	0	0	112	I571 A604 T611 A612 V620 L623	I571-A608 HydrophobicContact CD1-CB 4.44Å; I571-A608 HydrophobicContact CG2-CB 3.91Å; A604-A608 VanDerWaalsContact O-CB 3.3Å; A604-A608 WeakPolarHBondContact O-CB 3.49Å; A604-A608 PolarHBondContact O-N 3.33Å; A608-T611 PolarHBondContact O-N 3.18Å; A608-A612 WeakPolarHBondContact O-CA 3.32Å; A608-A612 WeakPolarHBondContact O-CB 3.46Å; A608-A612 PolarHBondContact O-N 3.05Å; A608-V620 HydrophobicContact CB-CG2 4.02Å; A608-L623 HydrophobicContact CB-CD1 3.88Å
609	V	94.6	Very high	90.2	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-66.9	-37.5	176	169.7	0	0	0	0	112	L605 H606 L607 T611 V620 V640 C644 K649 C652 L656	L605-V609 HydrophobicContact CD1-CG2 4.18Å; L605-V609 WeakPolarHBondContact O-CG2 3.27Å; L605-V609 PolarHBondContact O-N 3.03Å; L605-V609 VanDerWaalsContact O-N 3.07Å; H606-V609 PolarHBondContact O-N 3.3Å; L607-V609 PolarHBondContact O-N 2.88Å; V609-T611 PolarHBondContact O-N 3.34Å; V609-V620 HydrophobicContact CG2-CG1 3.91Å; V609-V620 HydrophobicContact CG2-CG2 4.27Å; V609-V640 HydrophobicContact CB-CG1 4.19Å; V609-V640 HydrophobicContact CG2-CG1 3.62Å; V609-C644 HydrophobicContact CG1-CB 4.48Å; V609-C644 VanDerWaalsContact CG1-SG 3.55Å; V609-K649 HydrophobicContact CG1-CB 4.36Å; V609-K649 HydrophobicContact CG1-CG 4.28Å; V609-K649 WeakPolarHBondContact O-CE 3.5Å; V609-C652 HydrophobicContact CG1-CB 4.19Å; V609-C652 HydrophobicContact CG2-CB 4Å; V609-L656 HydrophobicContact CG2-CD1 4.48Å
610	R	91.8	Very high	91	Very high	59 Å²	59	25.3 Å²	25.3	22%	0.223	14%	0.137	C	C	.	.	H	α-helix	trans	-60.8	-42.2	174.6	176.2	164.7	62.3	84.9	-14.8	111.7	E595 E602 H606 L607 Y643 Y647	E595-R610 IonicContact OE2-CZ 2.63Å; E595-R610 IonicContact OE2-NH1 3.14Å; E595-R610 IonicContact OE2-NH2 3.44Å; E595-R610 PolarHBondContact OE2-NH2 3.39Å; E602-R610 IonicContact OE1-NE 2.69Å; E602-R610 IonicContact OE2-CZ 3.18Å; E602-R610 IonicContact OE2-NE 2.88Å; E602-R610 PolarHBondContact OE2-NE 3.22Å; E602-R610 IonicContact OE2-NH2 3.51Å; E602-R610 PolarHBondContact OE2-NH2 3.09Å; H606-R610 WeakPolarHBondContact O-CB 3.44Å; H606-R610 PolarHBondContact O-N 3.08Å; L607-R610 VanDerWaalsContact CD1-NH2 3.26Å; L607-R610 WeakPolarHBondContact O-CB 3.36Å; L607-R610 PolarHBondContact O-N 2.63Å; L607-R610 VanDerWaalsContact O-N 3.14Å; R610-Y643 HydrophobicContact CB-CD1 4.35Å; R610-Y647 HydrophobicContact CB-CD2 4.26Å; R610-Y647 HydrophobicContact CB-CE2 4.07Å; R610-Y647 WeakPolarHBondContact CD-OH 3.37Å; R610-Y647 HydrophobicContact CG-CD2 4.39Å; R610-Y647 HydrophobicContact CG-CE1 4.29Å; R610-Y647 HydrophobicContact CG-CE2 3.94Å
611	T	90.3	Very high	91.5	Very high	52 Å²	52	19.2 Å²	19.2	32%	0.319	10%	0.104	S	C	.	.	H	α-helix	trans	-96	-6.7	-175.3	62.1	0	0	0	0	115.5	R574 L607 A608 V609	R574-T611 PolarHBondContact NH2-O 3.05Å; L607-T611 HydrophobicContact CD1-CG2 3.97Å; L607-T611 PolarHBondContact O-N 2.88Å; L607-T611 PolarHBondContact O-OG1 2.84Å; L607-T611 VanDerWaalsContact O-OG1 3.08Å; A608-T611 PolarHBondContact O-N 3.18Å; V609-T611 PolarHBondContact O-N 3.34Å
612	A	91.7	Very high	92	Very high	5 Å²	5	18.2 Å²	18.2	4%	0.041	9%	0.094	C	C	.	.			trans	-64.7	148.3	-175.2	0	0	0	0	0	115	A608 V620 K649 C652	A608-A612 WeakPolarHBondContact O-CA 3.32Å; A608-A612 WeakPolarHBondContact O-CB 3.46Å; A608-A612 PolarHBondContact O-N 3.05Å; A612-V620 HydrophobicContact CB-CG2 4.04Å; A612-K649 PolarHBondContact O-NZ 3.17Å; A612-C652 VanDerWaalsContact CB-SG 3.56Å
613	D	86.9	Confident	92.2	Very high	64 Å²	64	18 Å²	18	34%	0.342	9%	0.093	S	C	.	.			trans	-145.1	-175.2	168.5	59.5	28.2	0	0	0	110.3	R574 T615 S616	R574-D613 IonicContact CZ-OD1 2.7Å; R574-D613 IonicContact CZ-OD2 3.51Å; R574-D613 IonicContact NH1-OD1 3.47Å; R574-D613 PolarHBondContact NH1-OD1 3.44Å; R574-D613 IonicContact NH1-OD2 2.72Å; R574-D613 PolarHBondContact NH1-OD2 2.86Å; R574-D613 IonicContact NH2-OD1 2.7Å; R574-D613 IonicContact NH2-OD2 3.51Å; R574-D613 PolarHBondContact NH2-OD2 2.73Å; D613-T615 PolarHBondContact O-N 3.5Å; D613-T615 WeakPolarHBondContact OD1-CB 3.38Å; D613-T615 PolarHBondContact OD1-N 3.31Å; D613-T615 PolarHBondContact OD1-OG1 3.08Å; D613-S616 PolarHBondContact N-OG 3.49Å; D613-S616 PolarHBondContact O-N 3.41Å; D613-S616 PolarHBondContact O-OG 3.27Å; D613-S616 PolarHBondContact OD1-N 2.97Å; D613-S616 PolarHBondContact OD1-OG 3.02Å
614	Q	78.9	Confident	92.3	Very high	106 Å²	106	18.1 Å²	18.1	50%	0.495	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-5.9	-178.4	-74	175.7	-29.7	0	0	114.9	Y705 E706	Q614-Y705 WeakPolarHBondContact O-CD2 3.39Å; Q614-Y705 WeakPolarHBondContact O-CE2 3.42Å; Q614-E706 PolarHBondContact O-N 3.23Å
615	T	85.8	Confident	92.3	Very high	55 Å²	55	18.3 Å²	18.3	34%	0.337	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-17	173.5	70.4	0	0	0	0	113.6	R574 D613 H618 Y705 E706	R574-T615 PolarHBondContact NH1-OG1 3.38Å; D613-T615 PolarHBondContact O-N 3.5Å; D613-T615 WeakPolarHBondContact OD1-CB 3.38Å; D613-T615 PolarHBondContact OD1-N 3.31Å; D613-T615 PolarHBondContact OD1-OG1 3.08Å; T615-H618 PolarHBondContact O-CE1 2.66Å; T615-H618 PolarHBondContact O-ND1 3.11Å; T615-Y705 PolarHBondContact O-OH 3.41Å; T615-E706 WeakPolarHBondContact CG2-OE2 3.3Å
616	S	92.4	Very high	92.2	Very high	3 Å²	3	19.5 Å²	19.5	2%	0.021	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.3	5.2	-164.2	44.4	0	0	0	0	114.8	D613 H618 L619	D613-S616 PolarHBondContact N-OG 3.49Å; D613-S616 PolarHBondContact O-N 3.41Å; D613-S616 PolarHBondContact O-OG 3.27Å; D613-S616 PolarHBondContact OD1-N 2.97Å; D613-S616 PolarHBondContact OD1-OG 3.02Å; S616-H618 PolarHBondContact O-N 2.84Å; S616-H618 VanDerWaalsContact O-N 3.14Å; S616-L619 WeakPolarHBondContact O-CB 3.49Å; S616-L619 PolarHBondContact O-N 2.86Å; S616-L619 VanDerWaalsContact O-N 3.11Å
617	L	94.8	Very high	91.8	Very high	4 Å²	4	20.1 Å²	20.1	2%	0.021	11%	0.105	C	C	.	.	H	α-helix	trans	-57.3	-27.1	178.2	-63.4	-178	0	0	0	114.2	L505 L619 V620 D621 E651 L655 E704 Y705	L505-L617 HydrophobicContact CD2-CB 3.9Å; L617-L619 VanDerWaalsContact C-N 3.25Å; L617-L619 PolarHBondContact O-N 3.03Å; L617-V620 PolarHBondContact O-N 2.86Å; L617-D621 PolarHBondContact O-N 3.02Å; L617-E651 HydrophobicContact CD1-CB 3.72Å; L617-E651 HydrophobicContact CD1-CG 4.36Å; L617-E651 HydrophobicContact CD2-CB 3.9Å; L617-E651 HydrophobicContact CG-CB 4.49Å; L617-L655 HydrophobicContact CB-CD1 4.21Å; L617-E704 VanDerWaalsContact CD1-O 3.27Å; L617-E704 WeakPolarHBondContact CD1-O 3.22Å; L617-Y705 HydrophobicContact CB-CD2 4Å; L617-Y705 HydrophobicContact CB-CE2 4.43Å; L617-Y705 HydrophobicContact CD1-CD2 4.25Å; L617-Y705 HydrophobicContact CG-CD2 4.31Å
618	H	94.4	Very high	91	Very high	17 Å²	17	24.2 Å²	24.2	8%	0.079	15%	0.149	C	C	.	.	H	α-helix	trans	-63.5	-28.6	177.9	58.2	-109.1	0	0	0	112.7	L505 L506 N509 L576 T615 S616 F622 Y705	L505-H618 HydrophobicContact CD1-CB 4.32Å; L505-H618 HydrophobicContact CG-CB 4.11Å; L506-H618 HydrophobicContact CD2-CB 4.26Å; L506-H618 WeakPolarHBondContact CD2-O 3.42Å; N509-H618 HydrophobicContact CB-CB 4.4Å; L576-H618 HydrophobicContact CD2-CB 4.19Å; T615-H618 PolarHBondContact O-CE1 2.66Å; T615-H618 PolarHBondContact O-ND1 3.11Å; S616-H618 PolarHBondContact O-N 2.84Å; S616-H618 VanDerWaalsContact O-N 3.14Å; H618-F622 WeakPolarHBondContact O-CB 3.24Å; H618-F622 PolarHBondContact O-N 2.79Å; H618-Y705 AromaticContact ND1-CE2 3.85Å; H618-Y705 AromaticContact ND1-CZ 3.75Å; H618-Y705 PolarHBondContact ND1-OH 3.03Å
619	L	95.6	Very high	90.6	Very high	5 Å²	5	28.2 Å²	28.2	3%	0.026	17%	0.169	C	C	.	.	H	α-helix	trans	-70.1	-44.5	174.8	-55.3	167.8	0	0	0	110.5	I571 R574 L576 L579 S616 L617 D621 F622 L623	I571-L619 HydrophobicContact CD1-CB 4.4Å; R574-L619 HydrophobicContact CB-CD1 3.79Å; R574-L619 HydrophobicContact CG-CD1 4.04Å; L576-L619 HydrophobicContact CB-CD2 4.05Å; L576-L619 HydrophobicContact CD1-CD2 4.29Å; L579-L619 HydrophobicContact CD2-CB 4.41Å; L579-L619 HydrophobicContact CD2-CD2 4.01Å; S616-L619 WeakPolarHBondContact O-CB 3.49Å; S616-L619 PolarHBondContact O-N 2.86Å; S616-L619 VanDerWaalsContact O-N 3.11Å; L617-L619 VanDerWaalsContact C-N 3.25Å; L617-L619 PolarHBondContact O-N 3.03Å; L619-D621 VanDerWaalsContact C-N 3.33Å; L619-D621 PolarHBondContact O-N 2.87Å; L619-F622 PolarHBondContact O-N 2.65Å; L619-L623 WeakPolarHBondContact O-CG 3.26Å; L619-L623 PolarHBondContact O-N 2.67Å
620	V	95.5	Very high	90.3	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.006	17%	0.174	C	C	.	.	H	α-helix	trans	-61.1	-44.6	176.3	179.1	0	0	0	0	109.7	L605 A608 V609 A612 L617 L623 V624 C652 L655	L605-V620 HydrophobicContact CD1-CG1 4.12Å; A608-V620 HydrophobicContact CB-CG2 4.02Å; V609-V620 HydrophobicContact CG2-CG1 3.91Å; V609-V620 HydrophobicContact CG2-CG2 4.27Å; A612-V620 HydrophobicContact CB-CG2 4.04Å; L617-V620 PolarHBondContact O-N 2.86Å; V620-L623 PolarHBondContact O-N 2.75Å; V620-V624 HydrophobicContact CG1-CG2 4.23Å; V620-V624 VanDerWaalsContact O-CB 3.31Å; V620-V624 WeakPolarHBondContact O-CB 3.34Å; V620-V624 WeakPolarHBondContact O-CG2 3.45Å; V620-V624 PolarHBondContact O-N 2.76Å; V620-C652 HydrophobicContact CG1-CB 4.2Å; V620-L655 HydrophobicContact CB-CD1 4.39Å; V620-L655 HydrophobicContact CG1-CD1 4.3Å
621	D	94.9	Very high	90.3	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-67.7	-41.3	178.5	-164.2	60.7	0	0	0	113.1	L505 L506 L617 L619 L623 V624 Q625 L655 R658	L505-D621 HydrophobicContact CD2-CB 4.07Å; L506-D621 HydrophobicContact CD2-CB 4.37Å; L617-D621 PolarHBondContact O-N 3.02Å; L619-D621 VanDerWaalsContact C-N 3.33Å; L619-D621 PolarHBondContact O-N 2.87Å; D621-L623 VanDerWaalsContact C-N 3.31Å; D621-L623 PolarHBondContact O-N 2.73Å; D621-V624 PolarHBondContact O-N 2.69Å; D621-Q625 WeakPolarHBondContact O-CB 3.44Å; D621-Q625 WeakPolarHBondContact O-CG 3.38Å; D621-Q625 PolarHBondContact O-N 3.35Å; D621-Q625 PolarHBondContact OD2-NE2 3.43Å; D621-L655 HydrophobicContact CB-CD1 4.07Å; D621-L655 HydrophobicContact CB-CD2 4.25Å; D621-R658 VanDerWaalsContact CG-NH2 3.31Å; D621-R658 IonicContact OD1-CZ 2.96Å; D621-R658 IonicContact OD1-NH2 2.79Å; D621-R658 PolarHBondContact OD1-NH2 2.68Å; D621-R658 IonicContact OD2-NH2 2.71Å; D621-R658 PolarHBondContact OD2-NH2 3.36Å
622	F	96	Very high	90.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-59	-44.2	176.1	-175.7	-92.3	0	0	0	111.6	L506 L576 L579 I580 Y583 L589 H618 L619 N626	L506-F622 HydrophobicContact CD1-CB 4.32Å; L506-F622 HydrophobicContact CD1-CD2 4.12Å; L506-F622 HydrophobicContact CD2-CB 3.88Å; L576-F622 HydrophobicContact CD1-CB 3.81Å; L576-F622 HydrophobicContact CD1-CD2 4.31Å; L576-F622 HydrophobicContact CD1-CG 4.05Å; L579-F622 HydrophobicContact CD2-CB 4.24Å; L579-F622 HydrophobicContact CD2-CD1 3.66Å; L579-F622 HydrophobicContact CD2-CE1 4.49Å; L579-F622 HydrophobicContact CD2-CG 4.26Å; L579-F622 HydrophobicContact CG-CD1 3.72Å; L579-F622 HydrophobicContact CG-CE1 4.06Å; I580-F622 HydrophobicContact CD1-CE2 4.29Å; I580-F622 HydrophobicContact CG1-CD2 4.07Å; I580-F622 HydrophobicContact CG1-CE1 4.43Å; I580-F622 HydrophobicContact CG1-CE2 3.57Å; I580-F622 HydrophobicContact CG1-CZ 3.77Å; Y583-F622 AromaticContact CD1-CZ 3.9Å; Y583-F622 HydrophobicContact CD1-CZ 3.9Å; Y583-F622 HydrophobicContact CD2-CE1 4.49Å; Y583-F622 HydrophobicContact CD2-CZ 4.42Å; Y583-F622 HydrophobicContact CG-CE1 4.12Å; Y583-F622 AromaticContact CG-CZ 3.81Å; Y583-F622 HydrophobicContact CG-CZ 3.81Å; L589-F622 HydrophobicContact CD1-CE1 4.46Å; H618-F622 WeakPolarHBondContact O-CB 3.24Å; H618-F622 PolarHBondContact O-N 2.79Å; L619-F622 PolarHBondContact O-N 2.65Å; F622-N626 WeakPolarHBondContact CD2-ND2 3.49Å; F622-N626 VanDerWaalsContact CE2-ND2 3.35Å; F622-N626 WeakPolarHBondContact CE2-ND2 3.43Å; F622-N626 WeakPolarHBondContact O-CB 3.44Å; F622-N626 PolarHBondContact O-N 3.14Å; F622-N626 VanDerWaalsContact O-N 3.09Å; F622-N626 PolarHBondContact O-ND2 2.93Å
623	L	95.1	Very high	90.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-63.6	-51.1	173.4	-68.4	176.2	0	0	0	111	I571 L579 L589 A604 L605 A608 L619 V620 D621 Q625 N626 C627	I571-L623 HydrophobicContact CD1-CD1 3.92Å; L579-L623 HydrophobicContact CD1-CD2 4.1Å; L579-L623 HydrophobicContact CD2-CD2 4.4Å; L579-L623 HydrophobicContact CD2-CG 4.28Å; L589-L623 HydrophobicContact CB-CD2 4.17Å; L589-L623 HydrophobicContact CD1-CD2 4.07Å; L589-L623 HydrophobicContact CD2-CD2 4.18Å; L589-L623 HydrophobicContact CG-CD2 4.38Å; A604-L623 HydrophobicContact CB-CD1 4.26Å; A604-L623 HydrophobicContact CB-CD2 4.44Å; L605-L623 HydrophobicContact CB-CB 4.31Å; L605-L623 HydrophobicContact CB-CD1 4.02Å; L605-L623 HydrophobicContact CD1-CB 3.93Å; L605-L623 HydrophobicContact CD1-CD1 4.27Å; A608-L623 HydrophobicContact CB-CD1 3.88Å; L619-L623 WeakPolarHBondContact O-CG 3.26Å; L619-L623 PolarHBondContact O-N 2.67Å; V620-L623 PolarHBondContact O-N 2.75Å; D621-L623 VanDerWaalsContact C-N 3.31Å; D621-L623 PolarHBondContact O-N 2.73Å; L623-Q625 PolarHBondContact O-N 2.7Å; L623-N626 PolarHBondContact O-N 3.38Å; L623-C627 WeakPolarHBondContact O-CB 3.49Å; L623-C627 PolarHBondContact O-N 3.09Å; L623-C627 PolarHBondContact O-SG 3.47Å
624	V	93.8	Very high	90.7	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.012	18%	0.175	C	C	.	.	H	α-helix	trans	-60.7	-28.6	-178.9	166.4	0	0	0	0	113.3	L605 V620 D621 L630 L656 S659	L605-V624 HydrophobicContact CD1-CG2 3.81Å; L605-V624 HydrophobicContact CD2-CG2 4.05Å; V620-V624 HydrophobicContact CG1-CG2 4.23Å; V620-V624 VanDerWaalsContact O-CB 3.31Å; V620-V624 WeakPolarHBondContact O-CB 3.34Å; V620-V624 WeakPolarHBondContact O-CG2 3.45Å; V620-V624 PolarHBondContact O-N 2.76Å; D621-V624 PolarHBondContact O-N 2.69Å; V624-L630 HydrophobicContact CG1-CD1 4.28Å; V624-L630 HydrophobicContact CG2-CD2 4.45Å; V624-L656 HydrophobicContact CG2-CD2 3.55Å; V624-L656 HydrophobicContact CG2-CG 3.94Å; V624-S659 WeakPolarHBondContact CG1-OG 3.42Å
625	Q	92	Very high	91.2	Very high	5 Å²	5	27.7 Å²	27.7	2%	0.023	18%	0.175	C	C	.	.	H	α-helix	trans	-87.7	-29.4	178.4	-67.6	-149.4	69	0	0	114.3	T467 N468 R490 D621 L623	T467-Q625 PolarHBondContact O-NE2 2.92Å; N468-Q625 HydrophobicContact CB-CB 3.75Å; R490-Q625 VanDerWaalsContact CZ-O 3.26Å; R490-Q625 VanDerWaalsContact NH1-OE1 3.08Å; R490-Q625 PolarHBondContact NH2-O 3.4Å; D621-Q625 WeakPolarHBondContact O-CB 3.44Å; D621-Q625 WeakPolarHBondContact O-CG 3.38Å; D621-Q625 PolarHBondContact O-N 3.35Å; D621-Q625 PolarHBondContact OD2-NE2 3.43Å; L623-Q625 PolarHBondContact O-N 2.7Å
626	N	92.3	Very high	91.5	Very high	24 Å²	24	29.1 Å²	29.1	13%	0.128	18%	0.179	C	C	.	.	H	α-helix	trans	-109.8	-4.8	-175.2	-58.4	-68.4	0	0	0	114.4	N468 Y583 L589 F622 L623	N468-N626 PolarHBondContact ND2-OD1 3.35Å; N468-N626 PolarHBondContact O-ND2 3Å; Y583-N626 HydrophobicContact CD2-CB 4.45Å; Y583-N626 HydrophobicContact CE2-CB 3.97Å; L589-N626 HydrophobicContact CD1-CB 4.45Å; F622-N626 WeakPolarHBondContact CD2-ND2 3.49Å; F622-N626 VanDerWaalsContact CE2-ND2 3.35Å; F622-N626 WeakPolarHBondContact CE2-ND2 3.43Å; F622-N626 WeakPolarHBondContact O-CB 3.44Å; F622-N626 PolarHBondContact O-N 3.14Å; F622-N626 VanDerWaalsContact O-N 3.09Å; F622-N626 PolarHBondContact O-ND2 2.93Å; L623-N626 PolarHBondContact O-N 3.38Å
627	C	85.6	Confident	91.6	Very high	14 Å²	14	29.4 Å²	29.4	10%	0.095	18%	0.183	C	C	.	.			trans	-87.8	128	173.8	-64.2	0	0	0	0	111.9	L589 M590 L623 N629 L630	L589-C627 WeakPolarHBondContact CB-SG 3.36Å; M590-C627 HydrophobicContact CE-CB 3.84Å; M590-C627 WeakPolarHBondContact CE-SG 3.49Å; M590-C627 HydrophobicContact CG-CB 3.81Å; M590-C627 HydrophobicContact SD-CB 3.92Å; L623-C627 WeakPolarHBondContact O-CB 3.49Å; L623-C627 PolarHBondContact O-N 3.09Å; L623-C627 PolarHBondContact O-SG 3.47Å; C627-N629 VanDerWaalsContact C-N 3.35Å; C627-N629 PolarHBondContact O-N 3.44Å; C627-L630 HydrophobicContact CB-CD2 4.37Å
628	G	74.8	Confident	91.5	Very high	89 Å²	89	29.5 Å²	29.5	92%	0.918	18%	0.184	S	C	*	.	S	Bend	trans	-74.8	-11.6	-174.7	0	0	0	0	0	116.7
629	N	84.9	Confident	91.6	Very high	87 Å²	87	28.8 Å²	28.8	47%	0.465	18%	0.18	S	C	.	.			trans	-148.4	110.8	178.5	-177.7	1.1	0	0	0	111	C627 D631	C627-N629 VanDerWaalsContact C-N 3.35Å; C627-N629 PolarHBondContact O-N 3.44Å; N629-D631 WeakPolarHBondContact OD1-CB 3.48Å; N629-D631 PolarHBondContact OD1-N 2.97Å
630	L	89.3	Confident	91.5	Very high	20 Å²	20	28.7 Å²	28.7	11%	0.105	18%	0.18	C	C	.	.	S	Bend	trans	-87.1	-10.5	180	-55.9	178.5	0	0	0	113.2	L605 V624 C627 L656 P661	L605-L630 HydrophobicContact CD2-CD2 3.73Å; V624-L630 HydrophobicContact CG1-CD1 4.28Å; V624-L630 HydrophobicContact CG2-CD2 4.45Å; C627-L630 HydrophobicContact CB-CD2 4.37Å; L630-L656 HydrophobicContact CD1-CD2 4.46Å; L630-P661 HydrophobicContact CB-CB 4.08Å; L630-P661 HydrophobicContact CD1-CB 4.43Å
631	D	91.3	Very high	91.5	Very high	36 Å²	36	28.8 Å²	28.8	19%	0.193	18%	0.18	C	C	.	.			trans	-97.1	6.9	-172.6	-65.5	-25.7	0	0	0	112.8	N629 Q633 P661 T662 I665	N629-D631 WeakPolarHBondContact OD1-CB 3.48Å; N629-D631 PolarHBondContact OD1-N 2.97Å; D631-Q633 PolarHBondContact O-N 3.29Å; D631-P661 VanDerWaalsContact OD1-CB 3.29Å; D631-P661 WeakPolarHBondContact OD1-CB 3.47Å; D631-T662 PolarHBondContact OD1-N 3.46Å; D631-T662 VanDerWaalsContact OD2-CB 3.22Å; D631-T662 WeakPolarHBondContact OD2-CB 3.25Å; D631-T662 PolarHBondContact OD2-N 3.39Å; D631-T662 PolarHBondContact OD2-OG1 2.98Å; D631-I665 HydrophobicContact CB-CD1 3.64Å
632	K	91.2	Very high	91.6	Very high	62 Å²	62	28.9 Å²	28.9	27%	0.27	18%	0.181	S	C	.	.			trans	-60.7	124.4	175.7	-173.2	166.4	178.6	175	0	109.7	M590 E591 T603 H606	M590-K632 HydrophobicContact CB-CD 4.44Å; M590-K632 WeakPolarHBondContact O-CD 3.2Å; M590-K632 WeakPolarHBondContact O-CE 3.34Å; M590-K632 PolarHBondContact O-NZ 3.07Å; E591-K632 IonicContact OE2-NZ 3.16Å; E591-K632 PolarHBondContact OE2-NZ 2.65Å; T603-K632 HydrophobicContact CG2-CD 3.98Å; T603-K632 HydrophobicContact CG2-CG 4.37Å; H606-K632 PolarHBondContact CE1-O 3.44Å; H606-K632 VanDerWaalsContact CE1-O 3.28Å
633	Q	92.7	Very high	91.6	Very high	89 Å²	89	29 Å²	29	42%	0.416	18%	0.181	S	C	.	.			trans	-91.3	148.9	-178.2	-71.2	177.5	-71.9	0	0	112.5	D631 G637 N638 T639 I665 V666	D631-Q633 PolarHBondContact O-N 3.29Å; Q633-G637 PolarHBondContact NE2-O 3.19Å; Q633-N638 CarbonylContact C-O 3.59Å; Q633-N638 WeakPolarHBondContact CA-O 3.32Å; Q633-T639 HydrophobicContact CG-CG2 3.61Å; Q633-I665 HydrophobicContact CG-CG2 4.27Å; Q633-V666 PolarHBondContact NE2-O 3.42Å; Q633-V666 VanDerWaalsContact NE2-O 3.09Å
634	T	92.8	Very high	91.6	Very high	9 Å²	9	29 Å²	29	6%	0.055	18%	0.181	C	C	.	.			trans	-74.8	178.1	164.5	66.9	0	0	0	0	111.9	E599 E602 L636 G637 N638 Y643	E599-T634 VanDerWaalsContact CD-OG1 3.23Å; E599-T634 WeakPolarHBondContact OE1-CB 3.4Å; E599-T634 PolarHBondContact OE1-OG1 3.24Å; E599-T634 PolarHBondContact OE2-OG1 3.45Å; E602-T634 HydrophobicContact CG-CG2 3.99Å; T634-L636 VanDerWaalsContact C-N 3.31Å; T634-L636 PolarHBondContact O-N 3.38Å; T634-G637 WeakPolarHBondContact O-CA 3.36Å; T634-G637 PolarHBondContact O-N 3.18Å; T634-N638 PolarHBondContact N-O 2.94Å; T634-N638 WeakPolarHBondContact OG1-CB 3.4Å; T634-N638 PolarHBondContact OG1-N 3.3Å; T634-N638 VanDerWaalsContact OG1-N 3.1Å; T634-N638 PolarHBondContact OG1-O 2.86Å; T634-Y643 HydrophobicContact CG2-CE2 4.27Å
635	A	91.1	Very high	91.7	Very high	60 Å²	60	29 Å²	29	50%	0.496	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-29.4	-179	0	0	0	0	0	114.3	E599 L600 G637	E599-A635 PolarHBondContact OE1-N 3.13Å; L600-A635 HydrophobicContact CB-CB 3.91Å; L600-A635 WeakPolarHBondContact O-CB 3.4Å; L600-A635 PolarHBondContact O-N 3.07Å; A635-G637 VanDerWaalsContact C-N 3.26Å
636	L	91.8	Very high	91.8	Very high	84 Å²	84	31.8 Å²	31.8	44%	0.44	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	8.7	170.8	-55.6	179.3	0	0	0	112.7	E599 T634 N638 Q668	E599-L636 HydrophobicContact CG-CD1 4.05Å; E599-L636 HydrophobicContact CG-CG 4.14Å; E599-L636 WeakPolarHBondContact OE1-CB 3.43Å; E599-L636 VanDerWaalsContact OE1-CG 3.3Å; E599-L636 WeakPolarHBondContact OE1-CG 3.29Å; E599-L636 PolarHBondContact OE1-N 3.42Å; T634-L636 VanDerWaalsContact C-N 3.31Å; T634-L636 PolarHBondContact O-N 3.38Å; L636-N638 VanDerWaalsContact C-N 3.33Å; L636-N638 PolarHBondContact O-N 3.45Å; L636-Q668 WeakPolarHBondContact O-CB 3.25Å; L636-Q668 PolarHBondContact O-N 2.92Å
637	G	92.9	Very high	91.9	Very high	9 Å²	9	35.2 Å²	35.2	9%	0.093	21%	0.207	C	C	.	.			trans	78.8	8.8	179	0	0	0	0	0	114.8	Q633 T634 A635 N667	Q633-G637 PolarHBondContact NE2-O 3.19Å; T634-G637 WeakPolarHBondContact O-CA 3.36Å; T634-G637 PolarHBondContact O-N 3.18Å; A635-G637 VanDerWaalsContact C-N 3.26Å; G637-N667 WeakPolarHBondContact O-CA 3.28Å; G637-N667 WeakPolarHBondContact O-CB 3.27Å
638	N	94.3	Very high	92.3	Very high	7 Å²	7	37.9 Å²	37.9	4%	0.037	23%	0.226	C	C	.	.			trans	-73	136.5	179.1	-63.9	-50	0	0	0	109.8	E599 Q633 T634 L636 H642 Y643 N667	E599-N638 PolarHBondContact OE2-ND2 3.44Å; Q633-N638 CarbonylContact C-O 3.59Å; Q633-N638 WeakPolarHBondContact CA-O 3.32Å; T634-N638 PolarHBondContact N-O 2.94Å; T634-N638 WeakPolarHBondContact OG1-CB 3.4Å; T634-N638 PolarHBondContact OG1-N 3.3Å; T634-N638 VanDerWaalsContact OG1-N 3.1Å; T634-N638 PolarHBondContact OG1-O 2.86Å; L636-N638 VanDerWaalsContact C-N 3.33Å; L636-N638 PolarHBondContact O-N 3.45Å; N638-H642 HydrophobicContact CB-CB 4.05Å; N638-Y643 HydrophobicContact CB-CD2 4.05Å; N638-Y643 HydrophobicContact CB-CE2 3.76Å; N638-N667 WeakPolarHBondContact OD1-CB 3.19Å; N638-N667 PolarHBondContact OD1-ND2 3.38Å
639	T	95	Very high	93.3	Very high	1 Å²	1	36 Å²	36	1%	0.006	19%	0.192	C	C	.	.			trans	-101.2	173.3	167.1	68.8	0	0	0	0	110.5	H606 Q633 L641 H642 Y643 I665	H606-T639 VanDerWaalsContact NE2-C 3.32Å; Q633-T639 HydrophobicContact CG-CG2 3.61Å; T639-L641 PolarHBondContact O-N 3.25Å; T639-L641 VanDerWaalsContact O-N 3.15Å; T639-L641 PolarHBondContact OG1-N 2.88Å; T639-H642 PolarHBondContact N-ND1 2.98Å; T639-H642 VanDerWaalsContact N-ND1 3.19Å; T639-H642 WeakPolarHBondContact O-CA 3.36Å; T639-H642 VanDerWaalsContact O-CB 3.27Å; T639-H642 WeakPolarHBondContact O-CB 3.48Å; T639-H642 PolarHBondContact O-N 3.41Å; T639-H642 PolarHBondContact OG1-ND1 3.34Å; T639-Y643 PolarHBondContact O-N 3.18Å; T639-Y643 VanDerWaalsContact O-N 3.08Å; T639-I665 HydrophobicContact CG2-CB 4.32Å; T639-I665 HydrophobicContact CG2-CD1 4.2Å; T639-I665 HydrophobicContact CG2-CG2 3.78Å
640	V	94.8	Very high	93.7	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.018	18%	0.176	C	C	.	.	H	α-helix	trans	-56.7	-33.1	176.8	-162.9	0	0	0	0	112.4	L605 H606 V609 H642 Y643 C644 L656	L605-V640 HydrophobicContact CD1-CG1 4.29Å; L605-V640 HydrophobicContact CD2-CG1 4.37Å; L605-V640 HydrophobicContact CD2-CG2 3.91Å; L605-V640 HydrophobicContact CG-CB 4.49Å; L605-V640 HydrophobicContact CG-CG1 3.84Å; L605-V640 HydrophobicContact CG-CG2 3.87Å; H606-V640 PolarHBondContact NE2-N 3.27Å; H606-V640 VanDerWaalsContact NE2-N 3.2Å; V609-V640 HydrophobicContact CB-CG1 4.19Å; V609-V640 HydrophobicContact CG2-CG1 3.62Å; V640-H642 VanDerWaalsContact C-N 3.33Å; V640-H642 PolarHBondContact O-N 3.12Å; V640-Y643 WeakPolarHBondContact O-CB 3.15Å; V640-Y643 PolarHBondContact O-N 3.17Å; V640-C644 PolarHBondContact O-N 3.34Å; V640-L656 HydrophobicContact CB-CD1 4.2Å; V640-L656 HydrophobicContact CB-CD2 4.18Å; V640-L656 HydrophobicContact CG1-CD1 3.6Å; V640-L656 HydrophobicContact CG1-CD2 3.99Å; V640-L656 HydrophobicContact CG1-CG 4.42Å
641	L	96.1	Very high	93.9	Very high	3 Å²	3	32.6 Å²	32.6	2%	0.016	18%	0.175	C	C	.	.	H	α-helix	trans	-64.6	-35.3	173.7	-63.7	177.7	0	0	0	112.7	T639 S645 L653 L656 L657 P661 V663 A673	T639-L641 PolarHBondContact O-N 3.25Å; T639-L641 VanDerWaalsContact O-N 3.15Å; T639-L641 PolarHBondContact OG1-N 2.88Å; L641-S645 PolarHBondContact O-N 3.46Å; L641-S645 PolarHBondContact O-OG 3.08Å; L641-L653 HydrophobicContact CD2-CD1 3.61Å; L641-L656 HydrophobicContact CD2-CB 4.07Å; L641-L656 HydrophobicContact CD2-CD1 4.35Å; L641-L657 HydrophobicContact CD2-CD2 4.26Å; L641-P661 HydrophobicContact CD1-CB 4.18Å; L641-P661 HydrophobicContact CD1-CG 3.99Å; L641-P661 HydrophobicContact CD2-CG 3.93Å; L641-P661 HydrophobicContact CG-CG 4.19Å; L641-V663 HydrophobicContact CD1-CB 4.43Å; L641-V663 HydrophobicContact CD1-CG1 4.02Å; L641-A673 HydrophobicContact CB-CB 3.72Å; L641-A673 WeakPolarHBondContact O-CB 3.32Å
642	H	96.1	Very high	94.1	Very high	2 Å²	2	31 Å²	31	1%	0.009	17%	0.166	C	C	.	.	H	α-helix	trans	-66.6	-43.9	172.9	-61.6	73.9	0	0	0	109.5	N638 T639 V640 C644 S645 M646 I665 E671 A673 I676	N638-H642 HydrophobicContact CB-CB 4.05Å; T639-H642 PolarHBondContact N-ND1 2.98Å; T639-H642 VanDerWaalsContact N-ND1 3.19Å; T639-H642 WeakPolarHBondContact O-CA 3.36Å; T639-H642 VanDerWaalsContact O-CB 3.27Å; T639-H642 WeakPolarHBondContact O-CB 3.48Å; T639-H642 PolarHBondContact O-N 3.41Å; T639-H642 PolarHBondContact OG1-ND1 3.34Å; V640-H642 VanDerWaalsContact C-N 3.33Å; V640-H642 PolarHBondContact O-N 3.12Å; H642-C644 PolarHBondContact O-N 3.34Å; H642-S645 CarbonylContact O-C 3.25Å; H642-S645 WeakPolarHBondContact O-CA 3.18Å; H642-S645 WeakPolarHBondContact O-CB 3.41Å; H642-S645 PolarHBondContact O-N 3.1Å; H642-M646 HydrophobicContact CB-SD 4.44Å; H642-M646 WeakPolarHBondContact O-CB 3.04Å; H642-M646 VanDerWaalsContact O-CG 3.24Å; H642-M646 WeakPolarHBondContact O-CG 3.3Å; H642-M646 PolarHBondContact O-N 3.04Å; H642-I665 PolarHBondContact CE1-O 2.88Å; H642-I665 PolarHBondContact NE2-O 3.38Å; H642-E671 PolarHBondContact NE2-O 3.43Å; H642-E671 VanDerWaalsContact NE2-O 3.16Å; H642-A673 PolarHBondContact NE2-N 3.05Å; H642-I676 HydrophobicContact CB-CD1 4.14Å
643	Y	94.9	Very high	94.3	Very high	3 Å²	3	28 Å²	28	1%	0.012	15%	0.153	C	C	.	.	H	α-helix	trans	-60	-43.5	176.1	-88.3	-129	0	0	0	112.4	E599 E602 H606 R610 T634 N638 T639 V640 S645 M646 Y647	E599-Y643 WeakPolarHBondContact CB-OH 3.39Å; E602-Y643 VanDerWaalsContact CD-CE1 3.47Å; E602-Y643 HydrophobicContact CG-CE1 3.89Å; E602-Y643 VanDerWaalsContact CG-OH 3.22Å; E602-Y643 WeakPolarHBondContact CG-OH 3.38Å; E602-Y643 PolarHBondContact OE1-OH 2.9Å; H606-Y643 HydrophobicContact CB-CD1 3.97Å; H606-Y643 HydrophobicContact CB-CE1 3.96Å; H606-Y643 AromaticContact CD2-CD2 3.78Å; H606-Y643 AromaticContact CD2-CE2 3.97Å; H606-Y643 AromaticContact CD2-CG 3.89Å; R610-Y643 HydrophobicContact CB-CD1 4.35Å; T634-Y643 HydrophobicContact CG2-CE2 4.27Å; N638-Y643 HydrophobicContact CB-CD2 4.05Å; N638-Y643 HydrophobicContact CB-CE2 3.76Å; T639-Y643 PolarHBondContact O-N 3.18Å; T639-Y643 VanDerWaalsContact O-N 3.08Å; V640-Y643 WeakPolarHBondContact O-CB 3.15Å; V640-Y643 PolarHBondContact O-N 3.17Å; Y643-S645 PolarHBondContact O-N 3.01Å; Y643-M646 HydrophobicContact CD2-SD 4.26Å; Y643-M646 HydrophobicContact CE2-SD 4.47Å; Y643-M646 PolarHBondContact O-N 3.41Å; Y643-Y647 HydrophobicContact CD1-CD2 4.14Å; Y643-Y647 AromaticContact CD1-CE2 3.66Å; Y643-Y647 HydrophobicContact CD1-CE2 3.66Å; Y643-Y647 AromaticContact CE1-CE2 3.92Å; Y643-Y647 HydrophobicContact CE1-CE2 3.92Å; Y643-Y647 HydrophobicContact CG-CD2 4.39Å; Y643-Y647 HydrophobicContact CG-CE2 4.13Å; Y643-Y647 VanDerWaalsContact O-CD2 3.31Å; Y643-Y647 WeakPolarHBondContact O-CD2 3.2Å; Y643-Y647 PolarHBondContact O-N 3.48Å
644	C	96.1	Very high	94.3	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-54.8	-37.8	171.3	-87.5	0	0	0	0	113.1	V609 V640 H642 S648 K649 L653 L656	V609-C644 HydrophobicContact CG1-CB 4.48Å; V609-C644 VanDerWaalsContact CG1-SG 3.55Å; V640-C644 PolarHBondContact O-N 3.34Å; H642-C644 PolarHBondContact O-N 3.34Å; C644-S648 CarbonylContact O-C 3.52Å; C644-S648 WeakPolarHBondContact O-CA 3.39Å; C644-S648 PolarHBondContact O-N 2.9Å; C644-S648 VanDerWaalsContact O-N 3.14Å; C644-K649 PolarHBondContact O-N 3.28Å; C644-L653 HydrophobicContact CB-CB 4Å; C644-L653 HydrophobicContact CB-CD1 4.23Å; C644-L653 PolarHBondContact SG-N 3.26Å; C644-L653 VanDerWaalsContact SG-N 3.44Å; C644-L656 VanDerWaalsContact SG-CD1 3.53Å
645	S	96.5	Very high	94.4	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.007	14%	0.136	C	C	.	.	H	α-helix	trans	-81.1	-36.7	-178	-52.7	0	0	0	0	112.3	L641 H642 Y643 A673 L689	L641-S645 PolarHBondContact O-N 3.46Å; L641-S645 PolarHBondContact O-OG 3.08Å; H642-S645 CarbonylContact O-C 3.25Å; H642-S645 WeakPolarHBondContact O-CA 3.18Å; H642-S645 WeakPolarHBondContact O-CB 3.41Å; H642-S645 PolarHBondContact O-N 3.1Å; Y643-S645 PolarHBondContact O-N 3.01Å; S645-A673 WeakPolarHBondContact CB-O 3.36Å; S645-A673 PolarHBondContact OG-O 3.35Å; S645-A673 VanDerWaalsContact OG-O 3.11Å; S645-L689 WeakPolarHBondContact OG-CD1 3.33Å
646	M	94.4	Very high	94.5	Very high	65 Å²	65	21.8 Å²	21.8	32%	0.32	11%	0.113	S	C	.	.	H	α-helix	trans	-67.6	-42.6	176.6	-70.7	167.4	63.2	0	0	112.4	H642 Y643 I676	H642-M646 HydrophobicContact CB-SD 4.44Å; H642-M646 WeakPolarHBondContact O-CB 3.04Å; H642-M646 VanDerWaalsContact O-CG 3.24Å; H642-M646 WeakPolarHBondContact O-CG 3.3Å; H642-M646 PolarHBondContact O-N 3.04Å; Y643-M646 HydrophobicContact CD2-SD 4.26Å; Y643-M646 HydrophobicContact CE2-SD 4.47Å; Y643-M646 PolarHBondContact O-N 3.41Å; M646-I676 HydrophobicContact CG-CD1 4.06Å; M646-I676 HydrophobicContact CG-CG2 3.82Å; M646-I676 HydrophobicContact SD-CD1 4.33Å
647	Y	93.5	Very high	94.5	Very high	95 Å²	95	18.1 Å²	18.1	37%	0.373	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	8.4	-177.9	-61.3	-68.7	0	0	0	113.6	R610 Y643	R610-Y647 HydrophobicContact CB-CD2 4.26Å; R610-Y647 HydrophobicContact CB-CE2 4.07Å; R610-Y647 WeakPolarHBondContact CD-OH 3.37Å; R610-Y647 HydrophobicContact CG-CD2 4.39Å; R610-Y647 HydrophobicContact CG-CE1 4.29Å; R610-Y647 HydrophobicContact CG-CE2 3.94Å; Y643-Y647 HydrophobicContact CD1-CD2 4.14Å; Y643-Y647 AromaticContact CD1-CE2 3.66Å; Y643-Y647 HydrophobicContact CD1-CE2 3.66Å; Y643-Y647 AromaticContact CE1-CE2 3.92Å; Y643-Y647 HydrophobicContact CE1-CE2 3.92Å; Y643-Y647 HydrophobicContact CG-CD2 4.39Å; Y643-Y647 HydrophobicContact CG-CE2 4.13Å; Y643-Y647 VanDerWaalsContact O-CD2 3.31Å; Y643-Y647 WeakPolarHBondContact O-CD2 3.2Å; Y643-Y647 PolarHBondContact O-N 3.48Å
648	S	93.8	Very high	94.4	Very high	70 Å²	70	19.3 Å²	19.3	49%	0.49	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.8	59	-179.9	-174.8	0	0	0	0	113.5	C644 P650	C644-S648 CarbonylContact O-C 3.52Å; C644-S648 WeakPolarHBondContact O-CA 3.39Å; C644-S648 PolarHBondContact O-N 2.9Å; C644-S648 VanDerWaalsContact O-N 3.14Å; S648-P650 VanDerWaalsContact C-CD 3.45Å; S648-P650 WeakPolarHBondContact O-CD 3.43Å
649	K	95.1	Very high	94	Very high	49 Å²	49	20.8 Å²	20.8	21%	0.213	11%	0.106	C	C	.	.			trans	-109.7	75.2	-175.8	-54.8	-69.6	-173.6	171.3	0	111.7	V609 A612 C644 E651 C652 L653	V609-K649 HydrophobicContact CG1-CB 4.36Å; V609-K649 HydrophobicContact CG1-CG 4.28Å; V609-K649 WeakPolarHBondContact O-CE 3.5Å; A612-K649 PolarHBondContact O-NZ 3.17Å; C644-K649 PolarHBondContact O-N 3.28Å; K649-E651 VanDerWaalsContact C-N 3.34Å; K649-E651 PolarHBondContact O-N 3.32Å; K649-C652 HydrophobicContact CB-CB 3.96Å; K649-C652 PolarHBondContact O-N 2.85Å; K649-L653 WeakPolarHBondContact O-CB 3.47Å; K649-L653 PolarHBondContact O-N 2.86Å; K649-L653 VanDerWaalsContact O-N 3.08Å
650	P	94.1	Very high	93.7	Very high	19 Å²	19	28.9 Å²	28.9	12%	0.123	14%	0.141	C	C	.	.	H	α-helix	trans	-62.8	-36.9	-176.4	26.7	-36	0	0	0	112.7	S648 L653 K654 Q684 L688	S648-P650 VanDerWaalsContact C-CD 3.45Å; S648-P650 WeakPolarHBondContact O-CD 3.43Å; P650-L653 CarbonylContact O-C 3.43Å; P650-L653 WeakPolarHBondContact O-CB 3.29Å; P650-L653 PolarHBondContact O-N 3.41Å; P650-L653 VanDerWaalsContact O-N 3.16Å; P650-K654 WeakPolarHBondContact O-CG 3.23Å; P650-K654 PolarHBondContact O-N 3.29Å; P650-Q684 HydrophobicContact CB-CB 4.06Å; P650-L688 HydrophobicContact CB-CD1 4.06Å
651	E	94.1	Very high	93.5	Very high	17 Å²	17	29.3 Å²	29.3	8%	0.079	14%	0.144	C	C	.	.	H	α-helix	trans	-70	-39.7	-178.4	-56.1	-48.8	97.9	0	0	112.5	L617 K649 L653 K654 L655 V703 E704	L617-E651 HydrophobicContact CD1-CB 3.72Å; L617-E651 HydrophobicContact CD1-CG 4.36Å; L617-E651 HydrophobicContact CD2-CB 3.9Å; L617-E651 HydrophobicContact CG-CB 4.49Å; K649-E651 VanDerWaalsContact C-N 3.34Å; K649-E651 PolarHBondContact O-N 3.32Å; E651-L653 VanDerWaalsContact C-N 3.27Å; E651-L653 PolarHBondContact O-N 3.41Å; E651-K654 WeakPolarHBondContact O-CB 2.84Å; E651-K654 PolarHBondContact O-N 3.47Å; E651-K654 WeakPolarHBondContact OE1-CD 3.44Å; E651-K654 WeakPolarHBondContact OE1-CE 3.44Å; E651-K654 IonicContact OE1-NZ 2.67Å; E651-K654 PolarHBondContact OE1-NZ 3.44Å; E651-K654 WeakPolarHBondContact OE2-CD 3.48Å; E651-K654 IonicContact OE2-NZ 3.76Å; E651-K654 PolarHBondContact OE2-NZ 3.09Å; E651-L655 WeakPolarHBondContact O-CG 3.21Å; E651-L655 PolarHBondContact O-N 2.83Å; E651-V703 WeakPolarHBondContact OE2-CA 3.39Å; E651-E704 HydrophobicContact CG-CB 4.32Å; E651-E704 PolarHBondContact OE2-N 3.42Å
652	C	94.9	Very high	93.4	Very high	2 Å²	2	32 Å²	32	1%	0.014	16%	0.161	C	C	.	.	H	α-helix	trans	-62.4	-37.6	170.6	-59.3	0	0	0	0	111.5	V609 A612 V620 K649 L655 L656	V609-C652 HydrophobicContact CG1-CB 4.19Å; V609-C652 HydrophobicContact CG2-CB 4Å; A612-C652 VanDerWaalsContact CB-SG 3.56Å; V620-C652 HydrophobicContact CG1-CB 4.2Å; K649-C652 HydrophobicContact CB-CB 3.96Å; K649-C652 PolarHBondContact O-N 2.85Å; C652-L655 PolarHBondContact O-N 2.94Å; C652-L656 WeakPolarHBondContact O-CD1 3.41Å; C652-L656 WeakPolarHBondContact O-CG 3.06Å; C652-L656 PolarHBondContact O-N 3.4Å
653	L	94.7	Very high	93.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-67.3	-39.8	177.6	-179.6	62	0	0	0	112	L641 C644 K649 P650 E651 L655 L656 L657 C685 L688 L689	L641-L653 HydrophobicContact CD2-CD1 3.61Å; C644-L653 HydrophobicContact CB-CB 4Å; C644-L653 HydrophobicContact CB-CD1 4.23Å; C644-L653 PolarHBondContact SG-N 3.26Å; C644-L653 VanDerWaalsContact SG-N 3.44Å; K649-L653 WeakPolarHBondContact O-CB 3.47Å; K649-L653 PolarHBondContact O-N 2.86Å; K649-L653 VanDerWaalsContact O-N 3.08Å; P650-L653 CarbonylContact O-C 3.43Å; P650-L653 WeakPolarHBondContact O-CB 3.29Å; P650-L653 PolarHBondContact O-N 3.41Å; P650-L653 VanDerWaalsContact O-N 3.16Å; E651-L653 VanDerWaalsContact C-N 3.27Å; E651-L653 PolarHBondContact O-N 3.41Å; L653-L655 VanDerWaalsContact C-N 3.35Å; L653-L655 PolarHBondContact O-N 3.13Å; L653-L656 PolarHBondContact O-N 3.16Å; L653-L657 HydrophobicContact CD1-CD1 3.9Å; L653-L657 HydrophobicContact CD1-CD2 4.47Å; L653-L657 HydrophobicContact CD1-CG 3.96Å; L653-L657 HydrophobicContact CG-CD1 3.87Å; L653-L657 HydrophobicContact CG-CG 4.33Å; L653-L657 WeakPolarHBondContact O-CB 3.28Å; L653-L657 VanDerWaalsContact O-CG 3.23Å; L653-L657 WeakPolarHBondContact O-CG 3.31Å; L653-L657 PolarHBondContact O-N 3.31Å; L653-C685 HydrophobicContact CD2-CB 3.74Å; L653-L688 HydrophobicContact CB-CD1 4.46Å; L653-L688 HydrophobicContact CD2-CB 3.77Å; L653-L688 HydrophobicContact CD2-CD1 3.99Å; L653-L688 HydrophobicContact CG-CB 4.23Å; L653-L688 HydrophobicContact CG-CD1 4.29Å; L653-L689 HydrophobicContact CD1-CD2 4.04Å; L653-L689 HydrophobicContact CD1-CG 4.15Å; L653-L689 HydrophobicContact CD2-CD1 4.3Å; L653-L689 HydrophobicContact CD2-CG 4.08Å
654	K	94.1	Very high	93.2	Very high	27 Å²	27	37.9 Å²	37.9	12%	0.117	19%	0.193	C	C	.	.	H	α-helix	trans	-56.2	-48.2	171.1	-70.4	172.6	-179.2	174	0	111.2	P650 E651 L657 R658 L688 V701 H702 V703	P650-K654 WeakPolarHBondContact O-CG 3.23Å; P650-K654 PolarHBondContact O-N 3.29Å; E651-K654 WeakPolarHBondContact O-CB 2.84Å; E651-K654 PolarHBondContact O-N 3.47Å; E651-K654 WeakPolarHBondContact OE1-CD 3.44Å; E651-K654 WeakPolarHBondContact OE1-CE 3.44Å; E651-K654 IonicContact OE1-NZ 2.67Å; E651-K654 PolarHBondContact OE1-NZ 3.44Å; E651-K654 WeakPolarHBondContact OE2-CD 3.48Å; E651-K654 IonicContact OE2-NZ 3.76Å; E651-K654 PolarHBondContact OE2-NZ 3.09Å; K654-L657 PolarHBondContact O-N 3.46Å; K654-R658 PolarHBondContact O-N 3.24Å; K654-L688 HydrophobicContact CG-CD1 3.97Å; K654-L688 HydrophobicContact CG-CD2 4.07Å; K654-V701 HydrophobicContact CB-CG1 3.96Å; K654-V701 HydrophobicContact CB-CG2 3.95Å; K654-V701 HydrophobicContact CD-CG2 3.82Å; K654-V701 HydrophobicContact CG-CG2 3.79Å; K654-H702 WeakPolarHBondContact CD-O 3.4Å; K654-H702 PolarHBondContact NZ-O 3Å; K654-V703 HydrophobicContact CB-CG1 4.27Å; K654-V703 HydrophobicContact CD-CG1 4.23Å
655	L	93.5	Very high	93.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-62.4	-46	178.8	-65	172.6	0	0	0	111.8	L505 L617 V620 D621 E651 C652 L653 R658 V703	L505-L655 HydrophobicContact CD2-CD1 4.27Å; L505-L655 HydrophobicContact CD2-CD2 4.34Å; L617-L655 HydrophobicContact CB-CD1 4.21Å; V620-L655 HydrophobicContact CB-CD1 4.39Å; V620-L655 HydrophobicContact CG1-CD1 4.3Å; D621-L655 HydrophobicContact CB-CD1 4.07Å; D621-L655 HydrophobicContact CB-CD2 4.25Å; E651-L655 WeakPolarHBondContact O-CG 3.21Å; E651-L655 PolarHBondContact O-N 2.83Å; C652-L655 PolarHBondContact O-N 2.94Å; L653-L655 VanDerWaalsContact C-N 3.35Å; L653-L655 PolarHBondContact O-N 3.13Å; L655-R658 WeakPolarHBondContact O-CB 3.3Å; L655-R658 PolarHBondContact O-N 3.47Å; L655-V703 HydrophobicContact CD2-CG1 3.85Å; L655-V703 HydrophobicContact CG-CG1 4.18Å
656	L	93.5	Very high	93.1	Very high	1 Å²	1	43 Å²	43	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-59.8	-50.7	176.1	-77.4	157.2	0	0	0	112.1	L605 V609 V624 L630 V640 L641 C644 C652 L653 R658 S659 P661	L605-L656 HydrophobicContact CD2-CD2 4.34Å; V609-L656 HydrophobicContact CG2-CD1 4.48Å; V624-L656 HydrophobicContact CG2-CD2 3.55Å; V624-L656 HydrophobicContact CG2-CG 3.94Å; L630-L656 HydrophobicContact CD1-CD2 4.46Å; V640-L656 HydrophobicContact CB-CD1 4.2Å; V640-L656 HydrophobicContact CB-CD2 4.18Å; V640-L656 HydrophobicContact CG1-CD1 3.6Å; V640-L656 HydrophobicContact CG1-CD2 3.99Å; V640-L656 HydrophobicContact CG1-CG 4.42Å; L641-L656 HydrophobicContact CD2-CB 4.07Å; L641-L656 HydrophobicContact CD2-CD1 4.35Å; C644-L656 VanDerWaalsContact SG-CD1 3.53Å; C652-L656 WeakPolarHBondContact O-CD1 3.41Å; C652-L656 WeakPolarHBondContact O-CG 3.06Å; C652-L656 PolarHBondContact O-N 3.4Å; L653-L656 PolarHBondContact O-N 3.16Å; L656-R658 PolarHBondContact O-N 3.06Å; L656-S659 PolarHBondContact O-N 3.26Å; L656-P661 HydrophobicContact CB-CG 4.47Å; L656-P661 WeakPolarHBondContact O-CD 3.36Å
657	L	93	Very high	93.2	Very high	7 Å²	7	40.7 Å²	40.7	4%	0.037	21%	0.212	C	C	.	.	H	α-helix	trans	-63.9	-25.6	-176.3	-69.5	174.8	0	0	0	113.2	L641 L653 K654 S659 K660 V663 L688 A692 F697	L641-L657 HydrophobicContact CD2-CD2 4.26Å; L653-L657 HydrophobicContact CD1-CD1 3.9Å; L653-L657 HydrophobicContact CD1-CD2 4.47Å; L653-L657 HydrophobicContact CD1-CG 3.96Å; L653-L657 HydrophobicContact CG-CD1 3.87Å; L653-L657 HydrophobicContact CG-CG 4.33Å; L653-L657 WeakPolarHBondContact O-CB 3.28Å; L653-L657 VanDerWaalsContact O-CG 3.23Å; L653-L657 WeakPolarHBondContact O-CG 3.31Å; L653-L657 PolarHBondContact O-N 3.31Å; K654-L657 PolarHBondContact O-N 3.46Å; L657-S659 PolarHBondContact O-N 2.93Å; L657-K660 PolarHBondContact O-N 2.89Å; L657-K660 VanDerWaalsContact O-N 3.11Å; L657-V663 HydrophobicContact CD2-CG1 3.87Å; L657-L688 HydrophobicContact CD1-CB 4.04Å; L657-A692 HydrophobicContact CD1-CB 4.07Å; L657-A692 HydrophobicContact CD2-CB 3.62Å; L657-A692 HydrophobicContact CG-CB 4.39Å; L657-F697 HydrophobicContact CB-CD1 3.96Å; L657-F697 HydrophobicContact CB-CD2 4.3Å; L657-F697 HydrophobicContact CB-CE1 3.64Å; L657-F697 HydrophobicContact CB-CE2 4.01Å; L657-F697 HydrophobicContact CB-CG 4.28Å; L657-F697 HydrophobicContact CB-CZ 3.67Å; L657-F697 HydrophobicContact CD1-CD2 4.16Å; L657-F697 HydrophobicContact CD1-CE2 4.15Å
658	R	89.9	Confident	93.2	Very high	34 Å²	34	43.3 Å²	43.3	13%	0.128	23%	0.227	C	C	.	.	H	α-helix	trans	-56.6	-37	170.1	-171.7	170.7	69.6	116.9	-5.6	112.3	S502 D621 K654 L655 L656 P699	S502-R658 VanDerWaalsContact OG-CD 3.22Å; S502-R658 WeakPolarHBondContact OG-CD 3.47Å; D621-R658 VanDerWaalsContact CG-NH2 3.31Å; D621-R658 IonicContact OD1-CZ 2.96Å; D621-R658 IonicContact OD1-NH2 2.79Å; D621-R658 PolarHBondContact OD1-NH2 2.68Å; D621-R658 IonicContact OD2-NH2 2.71Å; D621-R658 PolarHBondContact OD2-NH2 3.36Å; K654-R658 PolarHBondContact O-N 3.24Å; L655-R658 WeakPolarHBondContact O-CB 3.3Å; L655-R658 PolarHBondContact O-N 3.47Å; L656-R658 PolarHBondContact O-N 3.06Å; R658-P699 WeakPolarHBondContact CD-O 3.3Å; R658-P699 WeakPolarHBondContact CG-O 3.41Å
659	S	86.7	Confident	93.2	Very high	38 Å²	38	43.7 Å²	43.7	27%	0.266	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-0	177.9	-66.7	0	0	0	0	114.7	V624 L656 L657	V624-S659 WeakPolarHBondContact CG1-OG 3.42Å; L656-S659 PolarHBondContact O-N 3.26Å; L657-S659 PolarHBondContact O-N 2.93Å
660	K	88	Confident	93.2	Very high	170 Å²	170	43.8 Å²	43.8	74%	0.739	25%	0.25	S	C	*	.			trans	55.7	53.3	176.4	-53.1	176.7	-174.4	172.4	0	116.5	L657	L657-K660 PolarHBondContact O-N 2.89Å; L657-K660 VanDerWaalsContact O-N 3.11Å
661	P	90.9	Very high	93.3	Very high	12 Å²	12	44.9 Å²	44.9	8%	0.078	25%	0.253	C	S	.	.			trans	-62.1	164.8	167.3	29	-36.8	0	0	0	112.6	L630 D631 L641 L656 V663	L630-P661 HydrophobicContact CB-CB 4.08Å; L630-P661 HydrophobicContact CD1-CB 4.43Å; D631-P661 VanDerWaalsContact OD1-CB 3.29Å; D631-P661 WeakPolarHBondContact OD1-CB 3.47Å; L641-P661 HydrophobicContact CD1-CB 4.18Å; L641-P661 HydrophobicContact CD1-CG 3.99Å; L641-P661 HydrophobicContact CD2-CG 3.93Å; L641-P661 HydrophobicContact CG-CG 4.19Å; L656-P661 HydrophobicContact CB-CG 4.47Å; L656-P661 WeakPolarHBondContact O-CD 3.36Å; P661-V663 PolarHBondContact O-N 3.22Å
662	T	93	Very high	93.4	Very high	60 Å²	60	44.5 Å²	44.5	37%	0.368	25%	0.252	S	S	.	.			trans	-79.2	105.7	-176.7	-53.2	0	0	0	0	111	D631 D664 I665	D631-T662 PolarHBondContact OD1-N 3.46Å; D631-T662 VanDerWaalsContact OD2-CB 3.22Å; D631-T662 WeakPolarHBondContact OD2-CB 3.25Å; D631-T662 PolarHBondContact OD2-N 3.39Å; D631-T662 PolarHBondContact OD2-OG1 2.98Å; T662-D664 VanDerWaalsContact C-N 3.34Å; T662-D664 VanDerWaalsContact CG2-OD1 3.29Å; T662-D664 WeakPolarHBondContact CG2-OD1 3.36Å; T662-D664 PolarHBondContact O-N 3.45Å; T662-I665 HydrophobicContact CG2-CD1 4.14Å; T662-I665 HydrophobicContact CG2-CG1 3.8Å
663	V	93.9	Very high	93.5	Very high	25 Å²	25	44.4 Å²	44.4	15%	0.152	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-9.4	-170.8	-62.1	0	0	0	0	115.4	L641 L657 P661 L689 A692 K693	L641-V663 HydrophobicContact CD1-CB 4.43Å; L641-V663 HydrophobicContact CD1-CG1 4.02Å; L657-V663 HydrophobicContact CD2-CG1 3.87Å; P661-V663 PolarHBondContact O-N 3.22Å; V663-L689 HydrophobicContact CG1-CD2 4.42Å; V663-A692 HydrophobicContact CG1-CB 4.13Å; V663-K693 HydrophobicContact CG2-CB 4.37Å
664	D	93.6	Very high	93.6	Very high	103 Å²	103	45 Å²	45	55%	0.551	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.3	6.2	-175.6	58.3	-51.1	0	0	0	114.4	T662 V666	T662-D664 VanDerWaalsContact C-N 3.34Å; T662-D664 VanDerWaalsContact CG2-OD1 3.29Å; T662-D664 WeakPolarHBondContact CG2-OD1 3.36Å; T662-D664 PolarHBondContact O-N 3.45Å; D664-V666 PolarHBondContact O-N 3.24Å
665	I	95.3	Very high	93.7	Very high	38 Å²	38	46.7 Å²	46.7	20%	0.195	27%	0.265	C	S	.	.			trans	-59.6	134.8	165.5	-65.5	173.7	0	0	0	109.2	D631 Q633 T639 H642 T662	D631-I665 HydrophobicContact CB-CD1 3.64Å; Q633-I665 HydrophobicContact CG-CG2 4.27Å; T639-I665 HydrophobicContact CG2-CB 4.32Å; T639-I665 HydrophobicContact CG2-CD1 4.2Å; T639-I665 HydrophobicContact CG2-CG2 3.78Å; H642-I665 PolarHBondContact CE1-O 2.88Å; H642-I665 PolarHBondContact NE2-O 3.38Å; T662-I665 HydrophobicContact CG2-CD1 4.14Å; T662-I665 HydrophobicContact CG2-CG1 3.8Å
666	V	96.2	Very high	93.8	Very high	70 Å²	70	46.7 Å²	46.7	42%	0.424	27%	0.265	S	S	.	.	B	Isolated β-bridge	trans	-103.2	147.8	173.1	-67.6	0	0	0	0	111.5	Q633 D664 E671 T672	Q633-V666 PolarHBondContact NE2-O 3.42Å; Q633-V666 VanDerWaalsContact NE2-O 3.09Å; D664-V666 PolarHBondContact O-N 3.24Å; V666-E671 CarbonylContact C-O 3.59Å; V666-E671 VanDerWaalsContact CA-O 3.28Å; V666-E671 WeakPolarHBondContact CA-O 3.36Å; V666-T672 HydrophobicContact CG1-CG2 3.62Å
667	N	95.3	Very high	94	Very high	18 Å²	18	46.7 Å²	46.7	10%	0.096	27%	0.265	C	S	.	.			trans	-81.5	-178.1	168.9	74.2	5.8	0	0	0	112.2	G637 N638 A669 G670 E671	G637-N667 WeakPolarHBondContact O-CA 3.28Å; G637-N667 WeakPolarHBondContact O-CB 3.27Å; N638-N667 WeakPolarHBondContact OD1-CB 3.19Å; N638-N667 PolarHBondContact OD1-ND2 3.38Å; N667-A669 PolarHBondContact O-N 3.26Å; N667-A669 WeakPolarHBondContact OD1-CA 3.35Å; N667-A669 WeakPolarHBondContact OD1-CB 3.38Å; N667-A669 PolarHBondContact OD1-N 2.98Å; N667-G670 PolarHBondContact O-N 3.47Å; N667-G670 PolarHBondContact OD1-N 3.07Å; N667-E671 PolarHBondContact N-O 3.04Å; N667-E671 PolarHBondContact OD1-N 2.88Å; N667-E671 VanDerWaalsContact OD1-N 3.16Å; N667-E671 PolarHBondContact OD1-O 2.97Å
668	Q	94.4	Very high	94.1	Very high	149 Å²	149	50.7 Å²	50.7	70%	0.696	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-17.2	-179	-171.2	174.1	67.6	0	0	113.7	L636 G670	L636-Q668 WeakPolarHBondContact O-CB 3.25Å; L636-Q668 PolarHBondContact O-N 2.92Å; Q668-G670 VanDerWaalsContact C-N 3.31Å
669	A	92.9	Very high	94.4	Very high	78 Å²	78	55.4 Å²	55.4	65%	0.645	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-3	171.2	0	0	0	0	0	113.2	N667 E671	N667-A669 PolarHBondContact O-N 3.26Å; N667-A669 WeakPolarHBondContact OD1-CA 3.35Å; N667-A669 WeakPolarHBondContact OD1-CB 3.38Å; N667-A669 PolarHBondContact OD1-N 2.98Å; A669-E671 VanDerWaalsContact C-N 3.32Å; A669-E671 HydrophobicContact CB-CG 4.27Å
670	G	94.5	Very high	94.8	Very high	52 Å²	52	57.7 Å²	57.7	54%	0.536	31%	0.309	S	S	.	.	S	Bend	trans	79.5	10.8	-176.9	0	0	0	0	0	114.2	N667 Q668	N667-G670 PolarHBondContact O-N 3.47Å; N667-G670 PolarHBondContact OD1-N 3.07Å; Q668-G670 VanDerWaalsContact C-N 3.31Å
671	E	96.3	Very high	95.1	Very high	41 Å²	41	57.7 Å²	57.7	19%	0.192	31%	0.309	C	S	.	.			trans	-91.2	138.5	178.8	-56.8	-172	112.6	0	0	110.5	H642 V666 N667 A669 D675 I676 R679	H642-E671 PolarHBondContact NE2-O 3.43Å; H642-E671 VanDerWaalsContact NE2-O 3.16Å; V666-E671 CarbonylContact C-O 3.59Å; V666-E671 VanDerWaalsContact CA-O 3.28Å; V666-E671 WeakPolarHBondContact CA-O 3.36Å; N667-E671 PolarHBondContact N-O 3.04Å; N667-E671 PolarHBondContact OD1-N 2.88Å; N667-E671 VanDerWaalsContact OD1-N 3.16Å; N667-E671 PolarHBondContact OD1-O 2.97Å; A669-E671 VanDerWaalsContact C-N 3.32Å; A669-E671 HydrophobicContact CB-CG 4.27Å; E671-D675 HydrophobicContact CB-CB 4.3Å; E671-I676 HydrophobicContact CB-CG1 4.01Å; E671-R679 IonicContact OE1-CZ 3.16Å; E671-R679 IonicContact OE1-NE 2.81Å; E671-R679 PolarHBondContact OE1-NE 3.4Å; E671-R679 IonicContact OE1-NH2 2.66Å; E671-R679 PolarHBondContact OE1-NH2 2.85Å; E671-R679 IonicContact OE2-CZ 2.67Å; E671-R679 IonicContact OE2-NE 3.87Å; E671-R679 IonicContact OE2-NH2 3.37Å; E671-R679 PolarHBondContact OE2-NH2 3.22Å
672	T	96.9	Very high	95.2	Very high	9 Å²	9	57.7 Å²	57.7	6%	0.055	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-83.5	166.2	161.2	70.8	0	0	0	0	110.4	V666 L674 D675 I676	V666-T672 HydrophobicContact CG1-CG2 3.62Å; T672-L674 PolarHBondContact O-N 3.24Å; T672-L674 VanDerWaalsContact O-N 3.14Å; T672-L674 PolarHBondContact OG1-N 3.24Å; T672-D675 WeakPolarHBondContact CB-OD2 2.89Å; T672-D675 PolarHBondContact N-OD2 2.79Å; T672-D675 PolarHBondContact O-N 3.37Å; T672-D675 PolarHBondContact OG1-N 3.48Å; T672-D675 PolarHBondContact OG1-OD2 3.08Å; T672-I676 PolarHBondContact O-N 3.41Å
673	A	96.6	Very high	95.2	Very high	1 Å²	1	59.1 Å²	59.1	1%	0.008	32%	0.318	C	S	.	.	H	α-helix	trans	-49.6	-38.2	170.4	0	0	0	0	0	113.2	L641 H642 S645 D675 I676 A677 L689	L641-A673 HydrophobicContact CB-CB 3.72Å; L641-A673 WeakPolarHBondContact O-CB 3.32Å; H642-A673 PolarHBondContact NE2-N 3.05Å; S645-A673 WeakPolarHBondContact CB-O 3.36Å; S645-A673 PolarHBondContact OG-O 3.35Å; S645-A673 VanDerWaalsContact OG-O 3.11Å; A673-D675 VanDerWaalsContact C-N 3.35Å; A673-D675 PolarHBondContact O-N 3.32Å; A673-I676 PolarHBondContact O-N 3.33Å; A673-A677 WeakPolarHBondContact O-CB 3.19Å; A673-A677 PolarHBondContact O-N 3.01Å; A673-L689 HydrophobicContact CB-CD1 3.95Å; A673-L689 HydrophobicContact CB-CD2 4.29Å
674	L	96.5	Very high	95.1	Very high	11 Å²	11	63.4 Å²	63.4	6%	0.058	34%	0.337	C	S	.	.	H	α-helix	trans	-68	-33.7	178.5	177.7	60.4	0	0	0	112.4	T672 A677 K678 E686 L689 K693	T672-L674 PolarHBondContact O-N 3.24Å; T672-L674 VanDerWaalsContact O-N 3.14Å; T672-L674 PolarHBondContact OG1-N 3.24Å; L674-A677 PolarHBondContact O-N 2.88Å; L674-K678 HydrophobicContact CG-CD 4.42Å; L674-K678 WeakPolarHBondContact O-CG 3.28Å; L674-K678 PolarHBondContact O-N 3.02Å; L674-E686 HydrophobicContact CD1-CB 4.43Å; L674-E686 HydrophobicContact CD1-CG 3.91Å; L674-L689 HydrophobicContact CB-CB 4.22Å; L674-L689 HydrophobicContact CB-CD1 4.46Å; L674-L689 HydrophobicContact CD1-CB 3.88Å; L674-K693 HydrophobicContact CD2-CD 3.89Å
675	D	96.8	Very high	95.2	Very high	63 Å²	63	58.5 Å²	58.5	34%	0.337	31%	0.31	S	S	.	.	H	α-helix	trans	-75.6	-36.8	179.4	-52.7	-54.2	0	0	0	110.6	E671 T672 A673 K678 R679	E671-D675 HydrophobicContact CB-CB 4.3Å; T672-D675 WeakPolarHBondContact CB-OD2 2.89Å; T672-D675 PolarHBondContact N-OD2 2.79Å; T672-D675 PolarHBondContact O-N 3.37Å; T672-D675 PolarHBondContact OG1-N 3.48Å; T672-D675 PolarHBondContact OG1-OD2 3.08Å; A673-D675 VanDerWaalsContact C-N 3.35Å; A673-D675 PolarHBondContact O-N 3.32Å; D675-K678 PolarHBondContact O-N 2.91Å; D675-R679 WeakPolarHBondContact O-CB 3.18Å; D675-R679 PolarHBondContact O-N 3.4Å
676	I	96.3	Very high	95.2	Very high	1 Å²	1	59.5 Å²	59.5	1%	0.005	31%	0.314	C	S	.	.	H	α-helix	trans	-60.3	-48.7	168	-63.1	-171.4	0	0	0	110.9	H642 M646 E671 T672 A673 K678 R679 L680	H642-I676 HydrophobicContact CB-CD1 4.14Å; M646-I676 HydrophobicContact CG-CD1 4.06Å; M646-I676 HydrophobicContact CG-CG2 3.82Å; M646-I676 HydrophobicContact SD-CD1 4.33Å; E671-I676 HydrophobicContact CB-CG1 4.01Å; T672-I676 PolarHBondContact O-N 3.41Å; A673-I676 PolarHBondContact O-N 3.33Å; I676-K678 VanDerWaalsContact C-N 3.28Å; I676-K678 PolarHBondContact O-N 3.42Å; I676-R679 PolarHBondContact O-N 2.87Å; I676-L680 HydrophobicContact CG2-CD1 3.68Å; I676-L680 HydrophobicContact CG2-CG 4.23Å; I676-L680 WeakPolarHBondContact O-CB 3.46Å; I676-L680 WeakPolarHBondContact O-CG 3.5Å; I676-L680 PolarHBondContact O-N 3.24Å
677	A	97	Very high	95.1	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-57.2	-42.7	179.7	0	0	0	0	0	111.6	A673 L674 K681 A682 C685 E686 L689	A673-A677 WeakPolarHBondContact O-CB 3.19Å; A673-A677 PolarHBondContact O-N 3.01Å; L674-A677 PolarHBondContact O-N 2.88Å; A677-K681 CarbonylContact O-C 3.34Å; A677-K681 WeakPolarHBondContact O-CA 3.45Å; A677-K681 PolarHBondContact O-N 3.22Å; A677-A682 PolarHBondContact O-N 3.13Å; A677-C685 HydrophobicContact CB-CB 4.13Å; A677-E686 HydrophobicContact CB-CB 4.26Å; A677-L689 HydrophobicContact CB-CD1 4.34Å
678	K	95.9	Very high	95.1	Very high	91 Å²	91	60.8 Å²	60.8	40%	0.396	32%	0.319	S	S	.	.	H	α-helix	trans	-63.3	-49.9	173.3	-79.5	167.5	176	174.1	0	113.1	L674 D675 I676 L680 K681 E686	L674-K678 HydrophobicContact CG-CD 4.42Å; L674-K678 WeakPolarHBondContact O-CG 3.28Å; L674-K678 PolarHBondContact O-N 3.02Å; D675-K678 PolarHBondContact O-N 2.91Å; I676-K678 VanDerWaalsContact C-N 3.28Å; I676-K678 PolarHBondContact O-N 3.42Å; K678-L680 VanDerWaalsContact C-N 3.27Å; K678-L680 PolarHBondContact O-N 3.38Å; K678-K681 PolarHBondContact O-N 2.94Å; K678-K681 VanDerWaalsContact O-N 3.08Å; K678-E686 WeakPolarHBondContact CE-OE1 3.35Å; K678-E686 HydrophobicContact CG-CG 3.93Å; K678-E686 VanDerWaalsContact CG-OE1 3.29Å; K678-E686 WeakPolarHBondContact CG-OE1 3.31Å; K678-E686 WeakPolarHBondContact CG-OE2 3.41Å
679	R	96	Very high	95.1	Very high	133 Å²	133	53.8 Å²	53.8	50%	0.502	29%	0.286	S	S	.	.	H	α-helix	trans	-60	-38.1	-179.7	178.3	170.9	53	69.1	-7.7	112	E671 D675 I676	E671-R679 IonicContact OE1-CZ 3.16Å; E671-R679 IonicContact OE1-NE 2.81Å; E671-R679 PolarHBondContact OE1-NE 3.4Å; E671-R679 IonicContact OE1-NH2 2.66Å; E671-R679 PolarHBondContact OE1-NH2 2.85Å; E671-R679 IonicContact OE2-CZ 2.67Å; E671-R679 IonicContact OE2-NE 3.87Å; E671-R679 IonicContact OE2-NH2 3.37Å; E671-R679 PolarHBondContact OE2-NH2 3.22Å; D675-R679 WeakPolarHBondContact O-CB 3.18Å; D675-R679 PolarHBondContact O-N 3.4Å; I676-R679 PolarHBondContact O-N 2.87Å
680	L	95.2	Very high	95.2	Very high	86 Å²	86	52 Å²	52	45%	0.45	27%	0.269	S	S	.	.	H	α-helix	trans	-87.8	-5.3	177.5	-62	179.9	0	0	0	113.8	I676 K678 A682	I676-L680 HydrophobicContact CG2-CD1 3.68Å; I676-L680 HydrophobicContact CG2-CG 4.23Å; I676-L680 WeakPolarHBondContact O-CB 3.46Å; I676-L680 WeakPolarHBondContact O-CG 3.5Å; I676-L680 PolarHBondContact O-N 3.24Å; K678-L680 VanDerWaalsContact C-N 3.27Å; K678-L680 PolarHBondContact O-N 3.38Å; L680-A682 VanDerWaalsContact C-N 3.25Å; L680-A682 PolarHBondContact O-N 2.97Å
681	K	93.5	Very high	95	Very high	171 Å²	171	53.4 Å²	53.4	74%	0.743	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	33.2	-176.3	-53.8	178	-178.5	176.6	0	113.8	A677 K678 T683	A677-K681 CarbonylContact O-C 3.34Å; A677-K681 WeakPolarHBondContact O-CA 3.45Å; A677-K681 PolarHBondContact O-N 3.22Å; K678-K681 PolarHBondContact O-N 2.94Å; K678-K681 VanDerWaalsContact O-N 3.08Å; K681-T683 PolarHBondContact O-N 3.38Å
682	A	93.8	Very high	94.8	Very high	11 Å²	11	52.7 Å²	52.7	9%	0.091	26%	0.262	C	S	.	.			trans	-76.8	71.2	175	0	0	0	0	0	110.2	A677 L680 Q684 C685 E686	A677-A682 PolarHBondContact O-N 3.13Å; L680-A682 VanDerWaalsContact C-N 3.25Å; L680-A682 PolarHBondContact O-N 2.97Å; A682-Q684 PolarHBondContact O-N 2.93Å; A682-C685 HydrophobicContact CB-CB 4.1Å; A682-C685 WeakPolarHBondContact O-CA 3.4Å; A682-C685 WeakPolarHBondContact O-CB 3.35Å; A682-C685 PolarHBondContact O-N 3.24Å; A682-E686 PolarHBondContact O-N 2.66Å
683	T	93	Very high	94.6	Very high	90 Å²	90	57.9 Å²	57.9	55%	0.552	28%	0.284	S	S	*	.	H	α-helix	trans	-49.8	-48.3	-168.2	52	0	0	0	0	114	K681 C685 E686 D687	K681-T683 PolarHBondContact O-N 3.38Å; T683-C685 VanDerWaalsContact C-N 3.25Å; T683-C685 PolarHBondContact O-N 2.87Å; T683-E686 WeakPolarHBondContact O-CB 3.44Å; T683-E686 PolarHBondContact O-N 3.06Å; T683-E686 VanDerWaalsContact O-N 3.12Å; T683-D687 PolarHBondContact O-N 2.89Å
684	Q	92.1	Very high	94.3	Very high	115 Å²	115	60.8 Å²	60.8	54%	0.537	31%	0.305	S	S	.	.	H	α-helix	trans	-60.8	-34	178	-66.1	-177.9	-11	0	0	112.6	P650 A682 L688	P650-Q684 HydrophobicContact CB-CB 4.06Å; A682-Q684 PolarHBondContact O-N 2.93Å; Q684-L688 WeakPolarHBondContact O-CB 3.43Å; Q684-L688 WeakPolarHBondContact O-CD1 3.37Å; Q684-L688 WeakPolarHBondContact O-CG 3.5Å; Q684-L688 PolarHBondContact O-N 2.75Å; Q684-L688 VanDerWaalsContact O-N 3.15Å
685	C	94.4	Very high	93.9	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-75.1	-38.4	175.2	-63.4	0	0	0	0	111.7	L653 A677 A682 T683 L688 L689	L653-C685 HydrophobicContact CD2-CB 3.74Å; A677-C685 HydrophobicContact CB-CB 4.13Å; A682-C685 HydrophobicContact CB-CB 4.1Å; A682-C685 WeakPolarHBondContact O-CA 3.4Å; A682-C685 WeakPolarHBondContact O-CB 3.35Å; A682-C685 PolarHBondContact O-N 3.24Å; T683-C685 VanDerWaalsContact C-N 3.25Å; T683-C685 PolarHBondContact O-N 2.87Å; C685-L688 PolarHBondContact O-N 3.03Å; C685-L689 WeakPolarHBondContact O-CB 3.47Å; C685-L689 WeakPolarHBondContact O-CD1 3.48Å; C685-L689 WeakPolarHBondContact O-CG 3.44Å; C685-L689 PolarHBondContact O-N 3.29Å
686	E	95.6	Very high	93.4	Very high	60 Å²	60	68.4 Å²	68.4	28%	0.28	36%	0.355	S	S	.	.	H	α-helix	trans	-60.1	-44.7	173.1	178.9	176.2	-179	0	0	111.6	L674 A677 K678 A682 T683 S690	L674-E686 HydrophobicContact CD1-CB 4.43Å; L674-E686 HydrophobicContact CD1-CG 3.91Å; A677-E686 HydrophobicContact CB-CB 4.26Å; K678-E686 WeakPolarHBondContact CE-OE1 3.35Å; K678-E686 HydrophobicContact CG-CG 3.93Å; K678-E686 VanDerWaalsContact CG-OE1 3.29Å; K678-E686 WeakPolarHBondContact CG-OE1 3.31Å; K678-E686 WeakPolarHBondContact CG-OE2 3.41Å; A682-E686 PolarHBondContact O-N 2.66Å; T683-E686 WeakPolarHBondContact O-CB 3.44Å; T683-E686 PolarHBondContact O-N 3.06Å; T683-E686 VanDerWaalsContact O-N 3.12Å; E686-S690 WeakPolarHBondContact O-CB 3.39Å; E686-S690 PolarHBondContact O-N 3.12Å; E686-S690 PolarHBondContact O-OG 3.49Å
687	D	94.3	Very high	93	Very high	96 Å²	96	69.8 Å²	69.8	51%	0.513	36%	0.361	S	S	.	.	H	α-helix	trans	-63.3	-47.7	177.5	-78.1	-38.1	0	0	0	111.8	T683 S690 Q691	T683-D687 PolarHBondContact O-N 2.89Å; D687-S690 PolarHBondContact O-N 3.17Å; D687-Q691 WeakPolarHBondContact O-CB 3.48Å; D687-Q691 VanDerWaalsContact O-CG 3.26Å; D687-Q691 WeakPolarHBondContact O-CG 3.45Å; D687-Q691 PolarHBondContact O-N 3.23Å; D687-Q691 PolarHBondContact O-NE2 3.28Å
688	L	94.4	Very high	92.3	Very high	19 Å²	19	73.9 Å²	73.9	10%	0.099	38%	0.383	C	S	.	.	H	α-helix	trans	-62.8	-45.9	179.2	-73.4	168.1	0	0	0	111.9	P650 L653 K654 L657 Q684 C685 Q691 A692 F697	P650-L688 HydrophobicContact CB-CD1 4.06Å; L653-L688 HydrophobicContact CB-CD1 4.46Å; L653-L688 HydrophobicContact CD2-CB 3.77Å; L653-L688 HydrophobicContact CD2-CD1 3.99Å; L653-L688 HydrophobicContact CG-CB 4.23Å; L653-L688 HydrophobicContact CG-CD1 4.29Å; K654-L688 HydrophobicContact CG-CD1 3.97Å; K654-L688 HydrophobicContact CG-CD2 4.07Å; L657-L688 HydrophobicContact CD1-CB 4.04Å; Q684-L688 WeakPolarHBondContact O-CB 3.43Å; Q684-L688 WeakPolarHBondContact O-CD1 3.37Å; Q684-L688 WeakPolarHBondContact O-CG 3.5Å; Q684-L688 PolarHBondContact O-N 2.75Å; Q684-L688 VanDerWaalsContact O-N 3.15Å; C685-L688 PolarHBondContact O-N 3.03Å; L688-Q691 PolarHBondContact O-N 2.98Å; L688-A692 PolarHBondContact O-N 2.82Å; L688-F697 HydrophobicContact CD2-CD2 4.29Å; L688-F697 HydrophobicContact CD2-CE2 3.91Å
689	L	94.9	Very high	91.2	Very high	2 Å²	2	72 Å²	72	1%	0.01	38%	0.38	C	S	.	.	H	α-helix	trans	-67.8	-34.6	176.8	-75.4	161.9	0	0	0	112.2	S645 L653 V663 A673 L674 A677 C685 A692 K693	S645-L689 WeakPolarHBondContact OG-CD1 3.33Å; L653-L689 HydrophobicContact CD1-CD2 4.04Å; L653-L689 HydrophobicContact CD1-CG 4.15Å; L653-L689 HydrophobicContact CD2-CD1 4.3Å; L653-L689 HydrophobicContact CD2-CG 4.08Å; V663-L689 HydrophobicContact CG1-CD2 4.42Å; A673-L689 HydrophobicContact CB-CD1 3.95Å; A673-L689 HydrophobicContact CB-CD2 4.29Å; L674-L689 HydrophobicContact CB-CB 4.22Å; L674-L689 HydrophobicContact CB-CD1 4.46Å; L674-L689 HydrophobicContact CD1-CB 3.88Å; A677-L689 HydrophobicContact CB-CD1 4.34Å; C685-L689 WeakPolarHBondContact O-CB 3.47Å; C685-L689 WeakPolarHBondContact O-CD1 3.48Å; C685-L689 WeakPolarHBondContact O-CG 3.44Å; C685-L689 PolarHBondContact O-N 3.29Å; L689-A692 PolarHBondContact O-N 2.89Å; L689-K693 VanDerWaalsContact O-CB 3.25Å; L689-K693 WeakPolarHBondContact O-CB 3.26Å; L689-K693 PolarHBondContact O-N 2.97Å
690	S	94.3	Very high	90.2	Very high	41 Å²	41	70.4 Å²	70.4	29%	0.287	38%	0.378	S	S	.	.	H	α-helix	trans	-69.9	-35.8	174.6	-62.2	0	0	0	0	112.4	E686 D687 S694	E686-S690 WeakPolarHBondContact O-CB 3.39Å; E686-S690 PolarHBondContact O-N 3.12Å; E686-S690 PolarHBondContact O-OG 3.49Å; D687-S690 PolarHBondContact O-N 3.17Å; S690-S694 WeakPolarHBondContact O-CB 3.17Å; S690-S694 PolarHBondContact O-N 3.43Å; S690-S694 VanDerWaalsContact O-N 3.07Å; S690-S694 PolarHBondContact O-OG 3.49Å
691	Q	92.1	Very high	89.6	Confident	81 Å²	81	67.1 Å²	67.1	38%	0.379	36%	0.361	S	S	.	.	H	α-helix	trans	-65.8	-42.5	171.2	-74	172.4	54.5	0	0	111.6	D687 L688 S694 G695 K696 F697	D687-Q691 WeakPolarHBondContact O-CB 3.48Å; D687-Q691 VanDerWaalsContact O-CG 3.26Å; D687-Q691 WeakPolarHBondContact O-CG 3.45Å; D687-Q691 PolarHBondContact O-N 3.23Å; D687-Q691 PolarHBondContact O-NE2 3.28Å; L688-Q691 PolarHBondContact O-N 2.98Å; Q691-S694 PolarHBondContact O-N 3.43Å; Q691-S694 PolarHBondContact O-OG 2.94Å; Q691-G695 PolarHBondContact O-N 3.45Å; Q691-K696 PolarHBondContact O-N 3.41Å; Q691-F697 HydrophobicContact CB-CB 4.32Å; Q691-F697 PolarHBondContact O-N 3Å
692	A	92.1	Very high	89.3	Confident	25 Å²	25	62.2 Å²	62.2	21%	0.207	34%	0.341	C	S	.	.	H	α-helix	trans	-63.6	-51.2	175.4	0	0	0	0	0	111.9	L657 V663 L688 L689 S694 G695 F697	L657-A692 HydrophobicContact CD1-CB 4.07Å; L657-A692 HydrophobicContact CD2-CB 3.62Å; L657-A692 HydrophobicContact CG-CB 4.39Å; V663-A692 HydrophobicContact CG1-CB 4.13Å; L688-A692 PolarHBondContact O-N 2.82Å; L689-A692 PolarHBondContact O-N 2.89Å; A692-S694 PolarHBondContact O-N 3.16Å; A692-G695 PolarHBondContact O-N 2.95Å; A692-F697 HydrophobicContact CB-CB 4.36Å
693	K	91.1	Very high	89	Confident	118 Å²	118	61.7 Å²	61.7	51%	0.513	34%	0.337	S	S	.	.	H	α-helix	trans	-62.2	-23	179	-170.1	165.5	-172.6	161.2	0	113.7	V663 L674 L689	V663-K693 HydrophobicContact CG2-CB 4.37Å; L674-K693 HydrophobicContact CD2-CD 3.89Å; L689-K693 VanDerWaalsContact O-CB 3.25Å; L689-K693 WeakPolarHBondContact O-CB 3.26Å; L689-K693 PolarHBondContact O-N 2.97Å
694	S	90.8	Very high	88.7	Confident	63 Å²	63	62 Å²	62	44%	0.441	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	5	173.5	61.1	0	0	0	0	114.6	S690 Q691 A692 K696	S690-S694 WeakPolarHBondContact O-CB 3.17Å; S690-S694 PolarHBondContact O-N 3.43Å; S690-S694 VanDerWaalsContact O-N 3.07Å; S690-S694 PolarHBondContact O-OG 3.49Å; Q691-S694 PolarHBondContact O-N 3.43Å; Q691-S694 PolarHBondContact O-OG 2.94Å; A692-S694 PolarHBondContact O-N 3.16Å; S694-K696 VanDerWaalsContact C-N 3.28Å; S694-K696 PolarHBondContact O-N 2.91Å
695	G	87.4	Confident	88.6	Confident	72 Å²	72	57.9 Å²	57.9	74%	0.742	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.5	20.7	179.2	0	0	0	0	0	114.7	Q691 A692	Q691-G695 PolarHBondContact O-N 3.45Å; A692-G695 PolarHBondContact O-N 2.95Å
696	K	87.3	Confident	88.1	Confident	161 Å²	161	62.8 Å²	62.8	70%	0.7	34%	0.335	S	S	*	.			trans	-106.2	-8.4	-174.2	-67	178.5	-175.9	174.3	0	114.6	Q691 S694 N698	Q691-K696 PolarHBondContact O-N 3.41Å; S694-K696 VanDerWaalsContact C-N 3.28Å; S694-K696 PolarHBondContact O-N 2.91Å; K696-N698 PolarHBondContact O-N 3.2Å
697	F	87.5	Confident	87.7	Confident	30 Å²	30	61 Å²	61	13%	0.132	33%	0.325	C	S	.	.			trans	-60.6	130.7	178.1	-179.8	-97.9	0	0	0	111.4	L657 L688 Q691 A692 V701	L657-F697 HydrophobicContact CB-CD1 3.96Å; L657-F697 HydrophobicContact CB-CD2 4.3Å; L657-F697 HydrophobicContact CB-CE1 3.64Å; L657-F697 HydrophobicContact CB-CE2 4.01Å; L657-F697 HydrophobicContact CB-CG 4.28Å; L657-F697 HydrophobicContact CB-CZ 3.67Å; L657-F697 HydrophobicContact CD1-CD2 4.16Å; L657-F697 HydrophobicContact CD1-CE2 4.15Å; L688-F697 HydrophobicContact CD2-CD2 4.29Å; L688-F697 HydrophobicContact CD2-CE2 3.91Å; Q691-F697 HydrophobicContact CB-CB 4.32Å; Q691-F697 PolarHBondContact O-N 3Å; A692-F697 HydrophobicContact CB-CB 4.36Å; F697-V701 HydrophobicContact CE2-CG2 4.35Å; F697-V701 HydrophobicContact CZ-CB 4.16Å; F697-V701 HydrophobicContact CZ-CG1 4.32Å; F697-V701 HydrophobicContact CZ-CG2 4.2Å
698	N	81.8	Confident	87.1	Confident	87 Å²	87	61.6 Å²	61.6	47%	0.465	33%	0.328	S	S	.	.			trans	-86.7	121.8	177.2	174.2	25	0	0	0	110.4	K696 H700	K696-N698 PolarHBondContact O-N 3.2Å; N698-H700 VanDerWaalsContact C-N 3.32Å; N698-H700 PolarHBondContact ND2-O 2.88Å; N698-H700 PolarHBondContact O-N 3.31Å; N698-H700 PolarHBondContact OD1-N 2.87Å; N698-H700 VanDerWaalsContact OD1-N 3.16Å; N698-H700 PolarHBondContact OD1-ND1 3.45Å
699	P	73.3	Confident	86.4	Confident	52 Å²	52	63.5 Å²	63.5	34%	0.338	34%	0.338	S	S	.	.	S	Bend	trans	-62.9	-32.1	177.8	-23.9	35	0	0	0	114.8	R658 V701	R658-P699 WeakPolarHBondContact CD-O 3.3Å; R658-P699 WeakPolarHBondContact CG-O 3.41Å; P699-V701 PolarHBondContact O-N 2.96Å
700	H	75.5	Confident	84.7	Confident	99 Å²	99	73.5 Å²	73.5	46%	0.458	38%	0.376	S	S	.	.	S	Bend	trans	-83.5	70.2	179.6	-46.5	89.3	0	0	0	108.8	E503 N698	E503-H700 IonicContact OE1-CD2 2.7Å; E503-H700 PolarHBondContact OE1-CD2 2.78Å; E503-H700 IonicContact OE1-CG 3.42Å; N698-H700 VanDerWaalsContact C-N 3.32Å; N698-H700 PolarHBondContact ND2-O 2.88Å; N698-H700 PolarHBondContact O-N 3.31Å; N698-H700 PolarHBondContact OD1-N 2.87Å; N698-H700 VanDerWaalsContact OD1-N 3.16Å; N698-H700 PolarHBondContact OD1-ND1 3.45Å
701	V	82	Confident	82.1	Confident	17 Å²	17	80.2 Å²	80.2	10%	0.103	40%	0.403	C	S	.	.			trans	-93.2	137.4	-168.9	70.2	0	0	0	0	111.2	S502 K654 F697 P699 V703	S502-V701 WeakPolarHBondContact CB-O 3.4Å; K654-V701 HydrophobicContact CB-CG1 3.96Å; K654-V701 HydrophobicContact CB-CG2 3.95Å; K654-V701 HydrophobicContact CD-CG2 3.82Å; K654-V701 HydrophobicContact CG-CG2 3.79Å; F697-V701 HydrophobicContact CE2-CG2 4.35Å; F697-V701 HydrophobicContact CZ-CB 4.16Å; F697-V701 HydrophobicContact CZ-CG1 4.32Å; F697-V701 HydrophobicContact CZ-CG2 4.2Å; P699-V701 PolarHBondContact O-N 2.96Å; V701-V703 HydrophobicContact CG1-CG1 4.46Å
702	H	86.9	Confident	79.5	Confident	67 Å²	67	82.8 Å²	82.8	31%	0.31	42%	0.415	S	S	.	.			trans	-79.4	124.8	171.6	178.3	55.8	0	0	0	110.3	L434 T501 K654	L434-H702 HydrophobicContact CD1-CB 4.28Å; L434-H702 HydrophobicContact CD2-CB 4.44Å; T501-H702 WeakPolarHBondContact CG2-ND1 3.48Å; T501-H702 PolarHBondContact OG1-ND1 3.49Å; K654-H702 WeakPolarHBondContact CD-O 3.4Å; K654-H702 PolarHBondContact NZ-O 3Å
703	V	89.3	Confident	76.7	Confident	0 Å²	0	90.8 Å²	90.8	0%	0	45%	0.448	C	S	.	.			trans	-105.5	134.7	173.1	-66.2	0	0	0	0	111.5	T501 E651 K654 L655 V701 Y705 W707	T501-V703 PolarHBondContact OG1-N 3.24Å; T501-V703 VanDerWaalsContact OG1-N 3.17Å; E651-V703 WeakPolarHBondContact OE2-CA 3.39Å; K654-V703 HydrophobicContact CB-CG1 4.27Å; K654-V703 HydrophobicContact CD-CG1 4.23Å; L655-V703 HydrophobicContact CD2-CG1 3.85Å; L655-V703 HydrophobicContact CG-CG1 4.18Å; V701-V703 HydrophobicContact CG1-CG1 4.46Å; V703-Y705 PolarHBondContact O-N 3.27Å; V703-W707 HydrophobicContact CG2-CZ2 4.31Å
704	E	85.7	Confident	73.9	Confident	98 Å²	98	93.8 Å²	93.8	46%	0.458	47%	0.466	S	S	.	.			trans	-80.2	107.1	173.8	-66.6	176.8	-157	0	0	109	L617 E651	L617-E704 VanDerWaalsContact CD1-O 3.27Å; L617-E704 WeakPolarHBondContact CD1-O 3.22Å; E651-E704 HydrophobicContact CG-CB 4.32Å; E651-E704 PolarHBondContact OE2-N 3.42Å
705	Y	89	Confident	71.1	Confident	28 Å²	28	97.8 Å²	97.8	11%	0.11	48%	0.482	C	S	.	.			trans	-138.1	151.2	-175.9	-179.6	-104.6	0	0	0	109.7	L505 N509 Q614 T615 L617 H618 V703 W707	L505-Y705 HydrophobicContact CD1-CD1 3.63Å; L505-Y705 HydrophobicContact CD1-CD2 3.71Å; L505-Y705 HydrophobicContact CD1-CE1 3.8Å; L505-Y705 HydrophobicContact CD1-CE2 3.86Å; L505-Y705 HydrophobicContact CD1-CG 3.59Å; N509-Y705 PolarHBondContact ND2-OH 3.47Å; N509-Y705 PolarHBondContact OD1-OH 3.04Å; Q614-Y705 WeakPolarHBondContact O-CD2 3.39Å; Q614-Y705 WeakPolarHBondContact O-CE2 3.42Å; T615-Y705 PolarHBondContact O-OH 3.41Å; L617-Y705 HydrophobicContact CB-CD2 4Å; L617-Y705 HydrophobicContact CB-CE2 4.43Å; L617-Y705 HydrophobicContact CD1-CD2 4.25Å; L617-Y705 HydrophobicContact CG-CD2 4.31Å; H618-Y705 AromaticContact ND1-CE2 3.85Å; H618-Y705 AromaticContact ND1-CZ 3.75Å; H618-Y705 PolarHBondContact ND1-OH 3.03Å; V703-Y705 PolarHBondContact O-N 3.27Å; Y705-W707 AromaticContact CD1-CD2 3.85Å; Y705-W707 HydrophobicContact CD1-CD2 3.85Å; Y705-W707 AromaticContact CD1-CE2 3.99Å; Y705-W707 HydrophobicContact CD1-CE3 4.04Å; Y705-W707 HydrophobicContact CD1-CG 4.21Å; Y705-W707 HydrophobicContact CD1-CH2 4.41Å; Y705-W707 HydrophobicContact CD1-CZ2 4.26Å; Y705-W707 HydrophobicContact CD1-CZ3 4.32Å; Y705-W707 PolarHBondContact O-N 2.9Å
706	E	85.9	Confident	68.4	Low	103 Å²	103	102.9 Å²	102.9	48%	0.481	49%	0.487	S	S	.	.			trans	-78.5	73.7	178.3	-153.9	-166.8	126.1	0	0	110.9	Q614 T615 N708	Q614-E706 PolarHBondContact O-N 3.23Å; T615-E706 WeakPolarHBondContact CG2-OE2 3.3Å; E706-N708 WeakPolarHBondContact CG-ND2 3.42Å; E706-N708 PolarHBondContact O-N 3.19Å; E706-N708 PolarHBondContact O-ND2 3Å; E706-N708 PolarHBondContact OE1-ND2 2.86Å
707	W	86.4	Confident	65.6	Low	23 Å²	23	100.4 Å²	100.4	9%	0.087	49%	0.49	C	S	.	.			trans	-57	-22.9	-170.3	-70.5	100	0	0	0	115.5	I441 T501 L505 K508 V703 Y705 L709	I441-W707 HydrophobicContact CB-CE3 4.42Å; I441-W707 HydrophobicContact CD1-CD2 3.55Å; I441-W707 HydrophobicContact CD1-CE3 3.7Å; I441-W707 HydrophobicContact CD1-CG 4.11Å; I441-W707 HydrophobicContact CD1-CH2 4.22Å; I441-W707 HydrophobicContact CD1-CZ2 4.07Å; I441-W707 HydrophobicContact CD1-CZ3 4.04Å; I441-W707 HydrophobicContact CG1-CD2 3.91Å; I441-W707 HydrophobicContact CG1-CE3 3.73Å; I441-W707 HydrophobicContact CG1-CG 4.34Å; I441-W707 HydrophobicContact CG1-CZ3 4.27Å; I441-W707 HydrophobicContact CG2-CE3 3.74Å; I441-W707 HydrophobicContact CG2-CH2 4.38Å; I441-W707 HydrophobicContact CG2-CZ3 3.56Å; T501-W707 WeakPolarHBondContact O-CH2 3.48Å; T501-W707 WeakPolarHBondContact O-CZ2 3.46Å; L505-W707 HydrophobicContact CB-CH2 4.15Å; L505-W707 HydrophobicContact CD1-CH2 3.96Å; L505-W707 HydrophobicContact CD1-CZ2 4.42Å; L505-W707 HydrophobicContact CD1-CZ3 4.45Å; K508-W707 HydrophobicContact CB-CE3 4.28Å; K508-W707 HydrophobicContact CB-CZ3 3.84Å; K508-W707 HydrophobicContact CD-CE3 4.28Å; K508-W707 WeakPolarHBondContact CE-O 3.49Å; K508-W707 HydrophobicContact CG-CE3 3.83Å; K508-W707 HydrophobicContact CG-CZ3 3.93Å; V703-W707 HydrophobicContact CG2-CZ2 4.31Å; Y705-W707 AromaticContact CD1-CD2 3.85Å; Y705-W707 HydrophobicContact CD1-CD2 3.85Å; Y705-W707 AromaticContact CD1-CE2 3.99Å; Y705-W707 HydrophobicContact CD1-CE3 4.04Å; Y705-W707 HydrophobicContact CD1-CG 4.21Å; Y705-W707 HydrophobicContact CD1-CH2 4.41Å; Y705-W707 HydrophobicContact CD1-CZ2 4.26Å; Y705-W707 HydrophobicContact CD1-CZ3 4.32Å; Y705-W707 PolarHBondContact O-N 2.9Å; W707-L709 HydrophobicContact CB-CD2 4.34Å; W707-L709 HydrophobicContact CB-CG 4.05Å; W707-L709 PolarHBondContact O-N 2.98Å
708	N	81.3	Confident	62.9	Low	108 Å²	108	105.6 Å²	105.6	58%	0.578	52%	0.519	S	S	*	.			trans	46.5	41.1	176.2	-81.8	-79.8	0	0	0	113.4	E706 R710	E706-N708 WeakPolarHBondContact CG-ND2 3.42Å; E706-N708 PolarHBondContact O-N 3.19Å; E706-N708 PolarHBondContact O-ND2 3Å; E706-N708 PolarHBondContact OE1-ND2 2.86Å; N708-R710 PolarHBondContact O-N 3.34Å
709	L	80.6	Confident	60.7	Low	58 Å²	58	108.8 Å²	108.8	30%	0.304	54%	0.536	S	S	.	.			trans	-61.8	134.1	175.8	-58.5	178.3	0	0	0	108.9	L437 A440 I441 D444 W707 Q711	L437-L709 HydrophobicContact CD1-CD1 4.03Å; A440-L709 HydrophobicContact CB-CD1 3.9Å; I441-L709 HydrophobicContact CG1-CD1 4.28Å; I441-L709 HydrophobicContact CG1-CD2 4.04Å; D444-L709 HydrophobicContact CB-CD2 3.85Å; W707-L709 HydrophobicContact CB-CD2 4.34Å; W707-L709 HydrophobicContact CB-CG 4.05Å; W707-L709 PolarHBondContact O-N 2.98Å; L709-Q711 PolarHBondContact O-N 3.12Å
710	R	57.6	Low	58.9	Low	213 Å²	213	112.5 Å²	112.5	80%	0.804	55%	0.553	S	S	*	*			trans	-66.8	109.1	179.9	-69.2	177.8	175.7	-93.1	2.2	110	N708 E712	N708-R710 PolarHBondContact O-N 3.34Å; R710-E712 PolarHBondContact O-N 3.3Å
711	Q	40.9	Very low	57.1	Low	181 Å²	181	115.5 Å²	115.5	85%	0.846	57%	0.572	S	S	*	*			trans	-59.5	119	156.6	-166.6	89.4	56.6	0	0	106.4	L709 E713	L709-Q711 PolarHBondContact O-N 3.12Å; Q711-E713 PolarHBondContact O-N 3.48Å
712	E	37.3	Very low	54.7	Low	136 Å²	136	120.1 Å²	120.1	64%	0.636	60%	0.596	S	S	*	*			trans	-65.5	119	176.5	-72.3	176.6	167.1	0	0	108.6	R447 R710 M714	R447-E712 IonicContact CZ-OE1 2.79Å; R447-E712 IonicContact NH1-OE1 2.75Å; R447-E712 PolarHBondContact NH1-OE1 3.2Å; R447-E712 IonicContact NH2-OE1 2.67Å; R710-E712 PolarHBondContact O-N 3.3Å; E712-M714 VanDerWaalsContact C-N 3.32Å; E712-M714 PolarHBondContact O-N 3.49Å
713	E	32.9	Very low	52.1	Low	192 Å²	192	124.5 Å²	124.5	90%	0.897	62%	0.621	S	S	*	*			trans	-70.9	91.5	174.6	-69.5	-178.5	139.6	0	0	107.5	Q711 D715	Q711-E713 PolarHBondContact O-N 3.48Å; E713-D715 PolarHBondContact O-N 3.47Å
714	M	32.4	Very low	49.4	Very low	181 Å²	181	131.8 Å²	131.8	89%	0.892	65%	0.653	S	S	*	*			trans	-74.6	84.2	176.9	-167.7	154.8	64.9	0	0	109.4	E712 E716	E712-M714 VanDerWaalsContact C-N 3.32Å; E712-M714 PolarHBondContact O-N 3.49Å; M714-E716 PolarHBondContact O-N 3.05Å
715	D	32.5	Very low	47.5	Very low	147 Å²	147	132 Å²	132	79%	0.786	66%	0.663	S	S	*	*			trans	-58.8	109.5	172.3	176.9	27.4	0	0	0	111.3	E713	E713-D715 PolarHBondContact O-N 3.47Å
716	E	29.4	Very low	44.5	Very low	180 Å²	180	135.8 Å²	135.8	84%	0.841	69%	0.694	S	S	*	*			trans	-142	122.1	159.4	-79.4	-154.1	135.4	0	0	112.4	M714	M714-E716 PolarHBondContact O-N 3.05Å
717	S	29.4	Very low	42.3	Very low	109 Å²	109	135.8 Å²	135.8	76%	0.762	70%	0.702	S	S	*	*			trans	60.8	103.3	157.2	-146.3	0	0	0	0	119.5
718	D	30.3	Very low	39.7	Very low	138 Å²	138	141.8 Å²	141.8	74%	0.738	74%	0.735	S	S	*	*			trans	-63.4	146.8	151.3	-158.2	4.4	0	0	0	110.9
719	D	36.7	Very low	37.3	Very low	155 Å²	155	146 Å²	146	83%	0.829	75%	0.748	S	S	*	*			trans	-163.5	99.1	170.6	-138.8	1.5	0	0	0	109.1
720	D	35.5	Very low	34.9	Very low	129 Å²	129	153.1 Å²	153.1	69%	0.69	78%	0.776	S	S	*	*			trans	-60	157	-178.3	-81.9	-59.5	0	0	0	112.9
721	L	36.3	Very low	33.4	Very low	163 Å²	163	152.6 Å²	152.6	85%	0.853	78%	0.783	S	S	*	*			cis	-153.3	165	45.6	-81.8	167.6	0	0	0	113.7
722	D	32.6	Very low	32.9	Very low	114 Å²	114	155 Å²	155	61%	0.61	78%	0.784	S	S	*	*			trans	-57.8	149.6	178.2	-93	-65.9	0	0	0	117.3	K724	D722-K724 IonicContact OD1-NZ 3.86Å; D722-K724 PolarHBondContact OD1-NZ 2.96Å; D722-K724 IonicContact OD2-NZ 2.7Å
723	D	32.4	Very low	32.4	Very low	159 Å²	159	153.7 Å²	153.7	85%	0.85	79%	0.79	S	S	*	*				-149.1	158.9	115.9	-144.2	-20.9	0	0	0	112.3
724	K	32.5	Very low	32.6	Very low	152 Å²	152	150.4 Å²	150.4	66%	0.661	79%	0.786	S	S	*	*			trans	-150.1	174.7	-162.2	-99.3	-173	-167.5	93.1	0	111.8	D722	D722-K724 IonicContact OD1-NZ 3.86Å; D722-K724 PolarHBondContact OD1-NZ 2.96Å; D722-K724 IonicContact OD2-NZ 2.7Å
725	P	45.6	Very low	32.4	Very low	102 Å²	102	152.6 Å²	152.6	66%	0.662	78%	0.784	S	S	*	*			cis	-138.8	165.2	-17.9	35.1	-16.5	0	0	0	116.6
726	S	26.8	Very low	32.5	Very low	109 Å²	109	151.6 Å²	151.6	76%	0.762	79%	0.785	S	S	*	*			trans	70.4	168.1	143.7	-76.5	0	0	0	0	119.6
727	P	39.6	Very low	32.3	Very low	102 Å²	102	151.4 Å²	151.4	66%	0.662	78%	0.784	S	S	*	*			cis	-135.1	145.7	10.2	40.1	-21.9	0	0	0	119.1
728	I	31.4	Very low	32.3	Very low	149 Å²	149	151.2 Å²	151.2	76%	0.764	78%	0.783	S	S	*	*				60.7	124.7	127.9	-60.8	170.9	0	0	0	118.1
729	K	29.8	Very low	32.1	Very low	196 Å²	196	153 Å²	153	85%	0.852	79%	0.785	S	S	*	*			cis	-140.2	150.9	46.2	-67.7	-177.7	176.3	-175	0	114.8
730	K	31.3	Very low	31.7	Very low	208 Å²	208	150.5 Å²	150.5	90%	0.904	78%	0.778	S	S	*	*			trans	-114.4	157.6	151.4	-75.9	-179.9	175.1	176.7	0	108.3
731	E	26.5	Very low	31.2	Very low	203 Å²	203	153 Å²	153	95%	0.949	79%	0.785	S	S	*	*			trans	-127.5	143	162.4	-164.9	155	-131	0	0	108.6
732	R	29.6	Very low	30.7	Very low	230 Å²	230	150.4 Å²	150.4	87%	0.868	78%	0.781	S	S	*	*			trans	-156	136.4	-163.4	-176.2	-171.8	-172.8	-168.3	4.6	111
733	S	27.8	Very low	30.4	Very low	109 Å²	109	151.4 Å²	151.4	76%	0.762	80%	0.796	S	S	*	*			trans	-140.2	172.8	161.4	79.4	0	0	0	0	108.6
734	P	36.5	Very low	30.2	Very low	123 Å²	123	149.2 Å²	149.2	80%	0.799	79%	0.794	S	S	*	*				-119	160.9	-106.8	28.2	-10	0	0	0	115.2
735	R	28.8	Very low	30	Very low	228 Å²	228	150.1 Å²	150.1	86%	0.86	80%	0.804	S	S	*	*			trans	-119.3	143.2	166.5	-165.5	172	-171	164.7	5.5	108.4
736	P	32.8	Very low	29.2	Very low	125 Å²	125	150.6 Å²	150.6	81%	0.812	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-64.2	158.4	-175.2	-23.6	35	0	0	0	114.2
737	Q	26.7	Very low	29.9	Very low	176 Å²	176	150.9 Å²	150.9	82%	0.822	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-84.9	129.5	172.2	-68.3	177	-97.1	0	0	111
738	S	29.4	Very low	29.4	Very low	105 Å²	105	154.9 Å²	154.9	73%	0.734	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-81.4	145.3	158.5	45.9	0	0	0	0	110.2
739	F	26.1	Very low	29.1	Very low	177 Å²	177	154.3 Å²	154.3	78%	0.776	82%	0.817	S	S	*	*			trans	-105.9	123.9	167	-103.8	-95.1	0	0	0	109.2
740	C	27.9	Very low	29.1	Very low	101 Å²	101	154.1 Å²	154.1	68%	0.682	82%	0.817	S	S	*	*			trans	-93.5	142.1	173.5	-58.9	0	0	0	0	110.3
741	H	24.3	Very low	29.5	Very low	183 Å²	183	149.8 Å²	149.8	85%	0.847	81%	0.809	S	S	*	*			trans	-127.8	102.5	159.9	-79.2	-63.3	0	0	0	109.2
742	S	25.7	Very low	29.3	Very low	108 Å²	108	144 Å²	144	76%	0.755	80%	0.797	S	S	*	*			trans	-108.9	130.1	169.9	-60.2	0	0	0	0	108.9
743	S	26.6	Very low	29.3	Very low	134 Å²	134	141.2 Å²	141.2	94%	0.937	80%	0.798	S	S	*	*			trans	-165.1	126	154.2	-81.6	0	0	0	0	110
744	S	28	Very low	30.2	Very low	114 Å²	114	141.9 Å²	141.9	80%	0.797	80%	0.8	S	S	*	*			trans	-126.7	137.1	167.1	174.9	0	0	0	0	107.3
745	I	29.6	Very low	29.6	Very low	171 Å²	171	139.3 Å²	139.3	88%	0.877	80%	0.795	S	S	*	*			trans	-178	151.2	152.5	-98.5	152.3	0	0	0	109
746	S	28.2	Very low	29.5	Very low	112 Å²	112	138.3 Å²	138.3	78%	0.783	80%	0.798	S	S	*	*			trans	-77.7	165.8	-174.9	-112.3	0	0	0	0	114.4
747	P	42.4	Very low	29.1	Very low	115 Å²	115	137.7 Å²	137.7	75%	0.747	80%	0.796	S	S	*	*			trans	-98	152.5	-166.5	37.2	-35.2	0	0	0	115.3
748	Q	27.5	Very low	29	Very low	186 Å²	186	135.4 Å²	135.4	87%	0.869	79%	0.794	S	S	*	*			trans	-143.1	141.1	143.5	-74.7	-158.4	-37.9	0	0	112.2
749	D	26.3	Very low	30	Very low	137 Å²	137	135.4 Å²	135.4	73%	0.733	79%	0.792	S	S	*	*			trans	41.8	107.3	159.5	-62.4	-48.3	0	0	0	124.8
750	K	29.2	Very low	30.2	Very low	192 Å²	192	137.4 Å²	137.4	84%	0.835	79%	0.794	S	S	*	*				11.1	156.3	123.4	-68.7	176.1	-178.6	171.1	0	120.6
751	P	39.3	Very low	30.2	Very low	116 Å²	116	137.4 Å²	137.4	75%	0.753	79%	0.788	S	S	*	*			cis	-144.3	-175.5	-28.8	40.6	-22.2	0	0	0	115.6
752	A	23.7	Very low	30.6	Very low	83 Å²	83	137.1 Å²	137.1	69%	0.686	78%	0.784	S	S	*	*			trans	101.4	99.2	144.8	0	0	0	0	0	122.1
753	L	29.4	Very low	30.8	Very low	170 Å²	170	140.2 Å²	140.2	89%	0.89	79%	0.786	S	S	*	*				70.8	158.3	125.1	-69.6	172.8	0	0	0	120.6
754	P	45.1	Very low	30.9	Very low	124 Å²	124	143.5 Å²	143.5	81%	0.805	78%	0.778	S	S	*	*			trans	-127.6	172.7	-134.8	44.4	-33.1	0	0	0	116.9
755	G	25	Very low	30.9	Very low	68 Å²	68	145 Å²	145	70%	0.701	78%	0.776	S	S	*	*			trans	-180	105.5	164.4	0	0	0	0	0	118.2
756	F	27.6	Very low	30.8	Very low	208 Å²	208	141.8 Å²	141.8	91%	0.912	77%	0.77	S	S	*	*			trans	46.1	139.5	135.1	-93.5	-92.7	0	0	0	124.9
757	S	22.9	Very low	30.8	Very low	111 Å²	111	148 Å²	148	78%	0.776	78%	0.777	S	S	*	*			trans	111.1	158.1	132.3	76.7	0	0	0	0	121.1
758	T	25.6	Very low	30.1	Very low	128 Å²	128	145.7 Å²	145.7	79%	0.785	78%	0.775	S	S	*	*			trans	-124.8	-153.4	-166.1	58.1	0	0	0	0	108.8
759	P	49.6	Very low	30.4	Very low	105 Å²	105	140.5 Å²	140.5	68%	0.682	76%	0.764	S	S	*	*			cis	-138.6	-153.7	-12.3	27.9	-0.4	0	0	0	113.9
760	R	30.7	Very low	30.5	Very low	220 Å²	220	143.1 Å²	143.1	83%	0.83	77%	0.769	S	S	*	*			trans	91	150.3	149.9	-80.7	-168.1	147.4	139.7	1.7	121.4
761	D	28.2	Very low	30.4	Very low	101 Å²	101	139.8 Å²	139.8	54%	0.54	77%	0.765	S	S	.	*			cis	-156.5	-170.7	-18.5	-139.6	-40.8	0	0	0	111.9
762	K	31.8	Very low	29.9	Very low	176 Å²	176	140.2 Å²	140.2	77%	0.765	76%	0.761	S	S	*	*			trans	-77.1	-175.5	-174.7	-56.3	140.3	-168.5	145	0	114.5
763	Q	30.2	Very low	30.1	Very low	173 Å²	173	143.1 Å²	143.1	81%	0.808	76%	0.76	S	S	*	*			cis	-166.5	146.9	41.8	-108.9	172.9	-5.7	0	0	109.9
764	R	29.2	Very low	29.9	Very low	204 Å²	204	142.5 Å²	142.5	77%	0.77	76%	0.756	S	S	*	*				82	122.7	71.9	-167.7	-160.3	-164.3	-111.2	2.5	117.3
765	L	27.5	Very low	29.3	Very low	144 Å²	144	144.3 Å²	144.3	75%	0.754	75%	0.752	S	S	*	*			trans	176.8	166.8	130.8	-96.9	166.1	0	0	0	115.1
766	S	27.2	Very low	29.3	Very low	105 Å²	105	147 Å²	147	73%	0.734	76%	0.755	S	S	*	*			trans	-164.8	161.1	-167.2	-42.7	0	0	0	0	115.8
767	Y	27.9	Very low	29.1	Very low	241 Å²	241	142 Å²	142	95%	0.945	75%	0.745	S	S	*	*			trans	-170.4	169.5	155.4	-93.5	-67.1	0	0	0	108.1
768	G	28.5	Very low	29.2	Very low	68 Å²	68	143.2 Å²	143.2	70%	0.701	75%	0.748	S	S	*	*			cis	122.2	141.2	-0.9	0	0	0	0	0	113.1
769	A	33.6	Very low	29.2	Very low	77 Å²	77	142.3 Å²	142.3	64%	0.636	75%	0.747	S	S	*	*			cis	-167.3	-176.4	-7.2	0	0	0	0	0	111.5
770	F	28.6	Very low	28.1	Very low	192 Å²	192	142.8 Å²	142.8	84%	0.842	75%	0.748	S	S	*	*			trans	72.2	166.2	175.7	-44.5	-70.3	0	0	0	116.4
771	T	26.8	Very low	27.8	Very low	122 Å²	122	139.4 Å²	139.4	75%	0.748	75%	0.746	S	S	*	*			cis	-121	124	-0.9	47.6	0	0	0	0	111.5
772	N	28.1	Very low	27.7	Very low	125 Å²	125	140 Å²	140	67%	0.668	76%	0.759	S	S	*	*				56.1	124.7	101	-81.2	-20.5	0	0	0	116.7
773	Q	28	Very low	28.7	Very low	143 Å²	143	137 Å²	137	67%	0.668	76%	0.757	S	S	*	*			cis	-147.6	-154.4	-15.3	-75.2	-165.1	1.5	0	0	106.5
774	I	25.9	Very low	28.5	Very low	158 Å²	158	135.8 Å²	135.8	81%	0.81	76%	0.762	S	S	*	*			cis	-155.6	153.3	11	-56.2	170.4	0	0	0	105.9
775	F	33.2	Very low	28.3	Very low	162 Å²	162	131.3 Å²	131.3	71%	0.711	76%	0.762	S	S	*	*			cis	-171.9	176.6	-39.9	-149.6	-101	0	0	0	107.5
776	V	24.3	Very low	29.8	Very low	125 Å²	125	129.7 Å²	129.7	76%	0.758	76%	0.76	S	S	*	*			trans	67.7	116.4	173.7	-174.2	0	0	0	0	116
777	S	23.5	Very low	29.7	Very low	101 Å²	101	130.5 Å²	130.5	71%	0.706	76%	0.761	S	S	*	*			cis	-154	158.7	-9.2	-104.7	0	0	0	0	112.4
778	T	25.9	Very low	29.6	Very low	137 Å²	137	124.9 Å²	124.9	84%	0.84	75%	0.751	S	S	*	*			trans	-76.1	179.5	170.6	41.8	0	0	0	0	111
779	S	25.1	Very low	29.5	Very low	110 Å²	110	130.3 Å²	130.3	77%	0.769	76%	0.758	S	S	*	*			cis	-160.5	172	33.5	62.5	0	0	0	0	116.5
780	T	26	Very low	29.3	Very low	114 Å²	114	131.1 Å²	131.1	70%	0.699	77%	0.765	S	S	*	*			trans	-79.6	162.5	161.2	50.9	0	0	0	0	111.3
781	D	24.7	Very low	30.8	Very low	149 Å²	149	127.6 Å²	127.6	80%	0.797	76%	0.761	S	S	*	*				160.1	150.8	119.9	-83.3	0.7	0	0	0	113.6
782	S	26.8	Very low	32	Very low	114 Å²	114	127 Å²	127	80%	0.797	76%	0.76	S	S	*	*			trans	-124.7	177.5	161.8	-48.4	0	0	0	0	107.1
783	P	52.8	Low	32.1	Very low	113 Å²	113	129 Å²	129	73%	0.734	77%	0.769	S	S	*	*			cis	-132.2	176.1	-11.9	41.4	-27	0	0	0	113.4
784	T	25.7	Very low	33.3	Very low	148 Å²	148	127.3 Å²	127.3	91%	0.908	77%	0.771	S	S	*	*			trans	-170.1	159.6	139.1	7.2	0	0	0	0	113
785	S	25.1	Very low	34.8	Very low	110 Å²	110	124.8 Å²	124.8	77%	0.769	77%	0.765	S	S	*	*			trans	-117.6	-172.8	178.5	-19.9	0	0	0	0	109.8
786	P	57.5	Low	34.8	Very low	109 Å²	109	127.5 Å²	127.5	71%	0.708	77%	0.77	S	S	*	*			cis	-124.8	-173.1	-40.1	37.6	-21.7	0	0	0	111.2
787	T	25.2	Very low	35.2	Very low	123 Å²	123	128.3 Å²	128.3	76%	0.755	77%	0.77	S	S	*	*				165.5	137.5	124	45.9	0	0	0	0	116.4
788	T	26.5	Very low	35.7	Very low	122 Å²	122	128 Å²	128	75%	0.748	77%	0.774	S	S	*	*			trans	63.3	142.9	140	55.3	0	0	0	0	126.2
789	E	26.8	Very low	35.8	Very low	183 Å²	183	124.8 Å²	124.8	86%	0.855	77%	0.768	S	S	*	*			trans	81.7	96.3	148.1	-77.1	-171.9	146.7	0	0	124
790	A	29.2	Very low	36.1	Very low	93 Å²	93	130 Å²	130	77%	0.769	78%	0.777	S	S	*	*				73.7	149.4	109.5	0	0	0	0	0	122.7
791	P	59.6	Low	36.3	Very low	119 Å²	119	128 Å²	128	77%	0.773	78%	0.779	S	S	*	*			trans	-108	-178.9	-170.9	45.1	-37.4	0	0	0	113.6
792	P	51.8	Low	38.2	Very low	110 Å²	110	126.6 Å²	126.6	71%	0.714	78%	0.778	S	S	*	*				-158.6	151.9	92.8	39.3	-18.8	0	0	0	120.1
793	L	30.3	Very low	38.4	Very low	165 Å²	165	128.1 Å²	128.1	86%	0.864	78%	0.783	S	S	*	*			trans	77.6	163.4	137.3	-70.4	172.8	0	0	0	122.4
794	P	53.3	Low	37.2	Very low	109 Å²	109	126.1 Å²	126.1	71%	0.708	78%	0.783	S	S	*	*			trans	-126.5	-132.5	-151.9	38.2	-14.5	0	0	0	111.4
795	P	56.7	Low	39.1	Very low	105 Å²	105	125.1 Å²	125.1	68%	0.682	78%	0.779	S	S	*	*			cis	-137.9	177.6	-21.1	35.6	-15.8	0	0	0	116.6
796	R	33.4	Very low	40.8	Very low	219 Å²	219	125.2 Å²	125.2	83%	0.826	78%	0.777	S	S	*	*				177.2	132.5	117.2	-102.1	178.5	164.9	155.1	-2.6	117.1
797	N	33.7	Very low	39.6	Very low	141 Å²	141	124.7 Å²	124.7	75%	0.754	78%	0.775	S	S	*	*				50.1	156	129.9	-65.1	12	0	0	0	123.6
798	A	33.2	Very low	39.8	Very low	96 Å²	96	125.3 Å²	125.3	79%	0.793	78%	0.779	S	S	*	*			cis	-177.2	156.9	-25	0	0	0	0	0	111.1
799	G	28.7	Very low	40	Very low	68 Å²	68	127.1 Å²	127.1	70%	0.701	78%	0.784	S	S	*	*			trans	114.4	121.7	173.1	0	0	0	0	0	111.9
800	K	31.7	Very low	41.1	Very low	220 Å²	220	124 Å²	124	96%	0.957	78%	0.779	S	S	*	*			cis	64.8	130.8	31.4	-56.1	-171.5	175.4	-175.6	0	113.7
801	G	30.7	Very low	41	Very low	72 Å²	72	127.3 Å²	127.3	74%	0.742	78%	0.783	S	S	*	*			cis	-166.6	-171.9	5.5	0	0	0	0	0	115
802	P	64.6	Low	39.6	Very low	120 Å²	120	125.8 Å²	125.8	78%	0.779	78%	0.775	S	S	*	*			trans	-125.2	-150.2	-155.5	44.1	-30.2	0	0	0	115.5
803	T	30.5	Very low	38.5	Very low	146 Å²	146	125.8 Å²	125.8	90%	0.896	77%	0.773	S	S	*	*			trans	91.7	149.9	176.1	72.8	0	0	0	0	116.8
804	G	27.3	Very low	38.3	Very low	71 Å²	71	126 Å²	126	73%	0.732	77%	0.77	S	S	*	*			cis	-176.1	165.9	-5.5	0	0	0	0	0	114.9
805	P	66	Low	37	Very low	127 Å²	127	126.1 Å²	126.1	83%	0.825	77%	0.769	S	S	*	*			trans	-104.6	-158.6	-179	45	-38.3	0	0	0	112.2
806	P	59.3	Low	35.5	Very low	112 Å²	112	125.9 Å²	125.9	73%	0.727	77%	0.77	S	S	*	*			cis	-141.5	-147.5	0.8	38.3	-12.6	0	0	0	115.3
807	S	32.5	Very low	35.2	Very low	98 Å²	98	121.4 Å²	121.4	69%	0.685	77%	0.772	S	S	*	*			trans	92.3	147.6	152.6	-59.3	0	0	0	0	121.2
808	T	30.5	Very low	34.9	Very low	136 Å²	136	118.6 Å²	118.6	83%	0.834	78%	0.776	S	S	*	*			cis	-163.4	171	-16.8	23.3	0	0	0	0	113.1
809	L	31	Very low	34.6	Very low	160 Å²	160	119.4 Å²	119.4	84%	0.838	78%	0.776	S	S	*	*			trans	-56.2	179.3	168	-76.1	167.3	0	0	0	115.6
810	P	48.7	Very low	34.7	Very low	116 Å²	116	120.7 Å²	120.7	75%	0.753	77%	0.774	S	S	*	*			cis	-153	178.8	29	45.7	-23.1	0	0	0	121.8
811	L	28.1	Very low	34.7	Very low	163 Å²	163	116 Å²	116	85%	0.853	77%	0.765	S	S	*	*			trans	14.5	161.1	142.6	-109.6	64.6	0	0	0	123
812	S	28.8	Very low	34.8	Very low	88 Å²	88	120 Å²	120	62%	0.615	77%	0.768	S	S	*	*			cis	-166.1	169.4	16.2	57.4	0	0	0	0	117
813	T	29.6	Very low	33.2	Very low	109 Å²	109	118.8 Å²	118.8	67%	0.669	76%	0.762	S	S	*	*			trans	65.5	121.4	142.9	45.3	0	0	0	0	125.6
814	Q	26.2	Very low	33.4	Very low	170 Å²	170	120.6 Å²	120.6	79%	0.794	76%	0.758	S	S	*	*				58.6	150.6	125.5	-61.8	-172.3	32.7	0	0	121.4
815	T	25.3	Very low	33.8	Very low	112 Å²	112	126.7 Å²	126.7	69%	0.687	76%	0.764	S	S	*	*			cis	-161	156.1	-1	12.5	0	0	0	0	113.5
816	S	25.7	Very low	32.2	Very low	100 Å²	100	132 Å²	132	70%	0.699	77%	0.768	S	S	*	*			trans	60.3	126.5	145.6	64.1	0	0	0	0	125.2
817	S	27.4	Very low	31.5	Very low	124 Å²	124	131.5 Å²	131.5	87%	0.867	77%	0.765	S	S	*	*			trans	83	153.8	137	81.1	0	0	0	0	122
818	G	26.1	Very low	32	Very low	83 Å²	83	132.7 Å²	132.7	86%	0.856	77%	0.77	S	S	*	*			trans	111.8	126.8	168.5	0	0	0	0	0	115.1
819	S	28.4	Very low	32.7	Very low	112 Å²	112	132.1 Å²	132.1	78%	0.783	77%	0.769	S	S	*	*			trans	-129.8	135	-176.3	-167.9	0	0	0	0	113.7
820	S	30.2	Very low	34	Very low	96 Å²	96	130.1 Å²	130.1	67%	0.671	77%	0.765	S	S	*	*			trans	49.2	127.3	154.9	72.2	0	0	0	0	119.8
821	T	31.5	Very low	34.1	Very low	122 Å²	122	130.9 Å²	130.9	75%	0.748	77%	0.77	S	S	*	*				-175.2	144.1	67.1	32.8	0	0	0	0	114.7
822	L	33.2	Very low	35.1	Very low	154 Å²	154	129 Å²	129	81%	0.806	77%	0.768	S	S	*	*			trans	51	99.4	139.2	-60.5	172.1	0	0	0	125
823	S	31.6	Very low	35.2	Very low	96 Å²	96	128 Å²	128	67%	0.671	77%	0.771	S	S	*	*				105.5	139.9	104.2	82.4	0	0	0	0	125.2
824	K	33.7	Very low	35.3	Very low	183 Å²	183	130.6 Å²	130.6	80%	0.796	78%	0.775	S	S	*	*			trans	89.5	115.9	144.8	-78.6	167.5	179.5	166.3	0	124.5
825	K	35.3	Very low	35.5	Very low	200 Å²	200	130.8 Å²	130.8	87%	0.87	77%	0.773	S	S	*	*			trans	73	154.2	151.4	-60.2	-180	176.9	179.7	0	116.9
826	R	32.5	Very low	35.9	Very low	237 Å²	237	136.8 Å²	136.8	89%	0.894	78%	0.783	S	S	*	*			cis	-139.1	179.4	18.5	-114.6	-161	-175.7	-122.7	4.5	113.3
827	P	46	Very low	36.2	Very low	103 Å²	103	138.5 Å²	138.5	67%	0.669	79%	0.79	S	S	*	*			trans	-117.3	176.5	-171.8	43.7	-35.3	0	0	0	117.3
828	P	41.9	Very low	36.4	Very low	123 Å²	123	140 Å²	140	80%	0.799	79%	0.787	S	S	*	*			trans	-100.5	176.8	169.8	39.2	-33.4	0	0	0	115.1
829	P	45.2	Very low	36.6	Very low	124 Å²	124	141.2 Å²	141.2	81%	0.805	78%	0.782	S	S	*	*			trans	-110	159.8	-162.2	39.6	-33.6	0	0	0	118.7
830	P	58.8	Low	36.6	Very low	118 Å²	118	143.2 Å²	143.2	77%	0.766	78%	0.784	S	S	*	*			trans	-116.8	174.1	174.9	43.4	-34.7	0	0	0	115.2
831	P	51	Low	37	Very low	131 Å²	131	144.5 Å²	144.5	85%	0.851	79%	0.791	S	S	*	*			trans	-126.9	-94.6	150.4	19	4.3	0	0	0	118.9
832	P	48.6	Very low	37.5	Very low	125 Å²	125	144.5 Å²	144.5	81%	0.812	79%	0.792	S	S	*	*			trans	-121.6	178.6	-149.4	35.5	-15	0	0	0	116
833	G	30.1	Very low	37.6	Very low	65 Å²	65	142.5 Å²	142.5	67%	0.67	79%	0.792	S	S	*	*			cis	152.7	161.9	-11.5	0	0	0	0	0	115.1
834	H	33.4	Very low	38.1	Very low	164 Å²	164	143.6 Å²	143.6	76%	0.759	80%	0.796	S	S	*	*			trans	73.5	144.6	169.8	-75.5	24.7	0	0	0	118.9
835	K	29.7	Very low	38	Very low	175 Å²	175	142.7 Å²	142.7	76%	0.761	80%	0.799	S	S	*	*			cis	-160.6	178.1	-15.8	-123.8	175.4	-172.9	158	0	112.3
836	R	33.9	Very low	38.9	Very low	238 Å²	238	137.9 Å²	137.9	90%	0.898	79%	0.789	S	S	*	*			trans	-108.1	152.6	174.6	-73.9	175.6	168.8	166.3	-7.1	112.7
837	T	32.1	Very low	38.8	Very low	136 Å²	136	135.6 Å²	135.6	83%	0.834	79%	0.788	S	S	*	*			trans	-168.1	170	155.2	37.2	0	0	0	0	109.2
838	L	31.5	Very low	38	Very low	155 Å²	155	134.3 Å²	134.3	81%	0.812	79%	0.793	S	S	*	*				-179.5	161.8	-53.2	-110.4	173.9	0	0	0	108.9
839	S	29.2	Very low	38.3	Very low	108 Å²	108	134.4 Å²	134.4	76%	0.755	79%	0.794	S	S	*	*			trans	83.9	141.8	160.1	-50	0	0	0	0	121.6
840	D	29.2	Very low	38.5	Very low	154 Å²	154	134.3 Å²	134.3	82%	0.824	79%	0.793	S	S	*	*			trans	-86.2	-178.6	178.2	-41.4	-90.6	0	0	0	113.3
841	P	38	Very low	37.3	Very low	124 Å²	124	136 Å²	136	81%	0.805	80%	0.796	S	S	*	*				-149	-151.2	83.3	48.6	-28.7	0	0	0	113.2
842	P	43.5	Very low	36.3	Very low	121 Å²	121	139.9 Å²	139.9	79%	0.786	80%	0.799	S	S	*	*				-127.1	172.8	-123.6	31	-6	0	0	0	117.8
843	S	35	Very low	35.3	Very low	113 Å²	113	137.5 Å²	137.5	79%	0.79	80%	0.798	S	S	*	*			trans	-84.4	157.7	166.9	-53.7	0	0	0	0	112.3
844	P	41.8	Very low	35.2	Very low	118 Å²	118	138.7 Å²	138.7	77%	0.766	80%	0.801	S	S	*	*				-155.2	124.7	104.8	35.8	-16	0	0	0	118.2
845	L	30.6	Very low	35.3	Very low	164 Å²	164	137 Å²	137	86%	0.859	80%	0.802	S	S	*	*			trans	52.9	-174	140.7	-49.7	179.6	0	0	0	118.3
846	P	55.3	Low	36.2	Very low	100 Å²	100	133.5 Å²	133.5	65%	0.649	80%	0.797	S	S	*	*				-130.9	-169.1	-108.3	36.3	-13.5	0	0	0	116.7
847	H	30.5	Very low	36	Very low	188 Å²	188	134.2 Å²	134.2	87%	0.87	80%	0.8	S	S	*	*			trans	93.8	133.7	170	-53.1	-80.4	0	0	0	118.9
848	G	29.5	Very low	35.9	Very low	76 Å²	76	130.9 Å²	130.9	78%	0.784	79%	0.793	S	S	*	*			trans	110.5	119.3	151.5	0	0	0	0	0	119
849	P	48.2	Very low	35.8	Very low	126 Å²	126	130.7 Å²	130.7	82%	0.818	79%	0.793	S	S	*	*			trans	-106.1	-173	165.2	43	-35.2	0	0	0	111.6
850	P	48.5	Very low	35.7	Very low	121 Å²	121	132.7 Å²	132.7	79%	0.786	80%	0.795	S	S	*	*			cis	-131.4	170.5	-10.1	33	-12.4	0	0	0	116.8
851	N	33.8	Very low	35.6	Very low	154 Å²	154	129.3 Å²	129.3	82%	0.824	80%	0.797	S	S	*	*			trans	-18.9	136.7	160.1	-166	9.7	0	0	0	121.6
852	K	30.5	Very low	35	Very low	212 Å²	212	127 Å²	127	92%	0.922	80%	0.795	S	S	*	*			trans	-172.1	145.1	145.4	-118.9	178.1	-175.5	179.5	0	117.5
853	G	26.3	Very low	35.3	Very low	76 Å²	76	126.9 Å²	126.9	78%	0.784	80%	0.795	S	S	*	*			trans	103.1	155.4	154.6	0	0	0	0	0	117.6
854	A	29.4	Very low	35	Very low	89 Å²	89	127 Å²	127	74%	0.736	80%	0.795	S	S	*	*			cis	-163.3	139.6	-17.1	0	0	0	0	0	109.2
855	V	34.9	Very low	34.4	Very low	129 Å²	129	126.6 Å²	126.6	78%	0.782	80%	0.795	S	S	*	*				63.2	124.8	94.8	-179.6	0	0	0	0	113.4
856	P	48.1	Very low	34.4	Very low	102 Å²	102	123.1 Å²	123.1	66%	0.662	79%	0.785	S	S	*	*				-151.9	156.8	76.8	39.7	-19.2	0	0	0	121.2
857	W	30	Very low	33.2	Very low	252 Å²	252	123.5 Å²	123.5	96%	0.955	79%	0.79	S	S	*	*			trans	32.4	150.5	147	-60.9	-52.5	0	0	0	124.1
858	G	30.1	Very low	33.2	Very low	67 Å²	67	123.1 Å²	123.1	69%	0.691	79%	0.786	S	S	*	*			cis	160.3	132.8	-9.8	0	0	0	0	0	116.6
859	N	29.3	Very low	33.2	Very low	151 Å²	151	125.3 Å²	125.3	81%	0.807	78%	0.784	S	S	*	*			trans	51	124.7	148.8	-103.5	65.8	0	0	0	124.1
860	D	27.7	Very low	32.1	Very low	149 Å²	149	126.3 Å²	126.3	80%	0.797	79%	0.788	S	S	*	*				169.7	154.4	100.8	-96.6	-11.4	0	0	0	115.5
861	G	27.7	Very low	31.2	Very low	83 Å²	83	128.1 Å²	128.1	86%	0.856	79%	0.791	S	S	*	*			trans	84.4	120.6	147.7	0	0	0	0	0	121.8
862	G	23.5	Very low	30.9	Very low	76 Å²	76	130.1 Å²	130.1	78%	0.784	79%	0.793	S	S	*	*			trans	-114.5	-155.2	160.2	0	0	0	0	0	111.8
863	P	50.2	Low	30.7	Very low	119 Å²	119	127.5 Å²	127.5	77%	0.773	78%	0.781	S	S	*	*			cis	-142	-171.6	7.2	43.7	-25	0	0	0	116.6
864	S	28.9	Very low	30.7	Very low	114 Å²	114	132 Å²	132	80%	0.797	78%	0.782	S	S	*	*			trans	73.7	142.5	158.3	-60.5	0	0	0	0	119.6
865	S	29.6	Very low	30.6	Very low	110 Å²	110	130.8 Å²	130.8	77%	0.769	78%	0.778	S	S	*	*			cis	-173.6	179.3	-16.1	73.8	0	0	0	0	108.3
866	S	29.9	Very low	30.2	Very low	92 Å²	92	132.8 Å²	132.8	64%	0.643	78%	0.783	S	S	*	*			cis	-163	132.7	-1.1	52.7	0	0	0	0	112.3
867	S	31.4	Very low	29.2	Very low	107 Å²	107	132.5 Å²	132.5	75%	0.748	78%	0.784	S	S	*	*			trans	67	151.8	158.8	84.8	0	0	0	0	118.5
868	K	29.2	Very low	29.3	Very low	181 Å²	181	128.9 Å²	128.9	79%	0.787	78%	0.777	S	S	*	*			cis	-139	115.4	10.1	-78.5	-175	-177.5	176	0	110.7
869	T	30.4	Very low	29.2	Very low	122 Å²	122	134 Å²	134	75%	0.748	78%	0.783	S	S	*	*				73.2	118.3	92.1	62	0	0	0	0	119.2
870	T	24.1	Very low	29.2	Very low	146 Å²	146	132 Å²	132	90%	0.896	78%	0.781	S	S	*	*			trans	-135.2	164.7	150.1	45.4	0	0	0	0	109.2
871	N	31.2	Very low	29.2	Very low	160 Å²	160	129.5 Å²	129.5	86%	0.856	78%	0.775	S	S	*	*			trans	-106.4	137.7	-153.3	-67	-22.9	0	0	0	117.7
872	K	27.2	Very low	29.2	Very low	196 Å²	196	131.9 Å²	131.9	85%	0.852	77%	0.774	S	S	*	*			trans	-179.1	154.8	148.7	-107.2	179	-178.3	-174.7	0	107.5
873	F	24.8	Very low	29.3	Very low	156 Å²	156	134.3 Å²	134.3	68%	0.684	78%	0.779	S	S	*	*			cis	-160.8	167.7	8.2	-166.4	-130.2	0	0	0	109.8
874	E	27.5	Very low	28.2	Very low	172 Å²	172	134.4 Å²	134.4	80%	0.804	78%	0.782	S	S	*	*			trans	57	167.6	165.3	-81.9	166.7	157.9	0	0	120.2
875	G	26.2	Very low	28.1	Very low	62 Å²	62	133 Å²	133	64%	0.639	78%	0.777	S	S	*	*			cis	160.9	134.6	-13	0	0	0	0	0	115
876	L	26.4	Very low	27.9	Very low	171 Å²	171	137.2 Å²	137.2	90%	0.895	78%	0.782	S	S	*	*			trans	-149.4	138.7	164.6	-77.8	102	0	0	0	108.2
877	S	28.5	Very low	27.7	Very low	97 Å²	97	138.9 Å²	138.9	68%	0.678	79%	0.788	S	S	*	*			cis	79.7	130.9	37	-69	0	0	0	0	114.7
878	Q	31	Very low	27.4	Very low	176 Å²	176	137.9 Å²	137.9	82%	0.822	79%	0.787	S	S	*	*			cis	-165.5	-167	-6.4	-131.5	-177.1	49.8	0	0	111.8
879	Q	27.9	Very low	27.3	Very low	174 Å²	174	136.6 Å²	136.6	81%	0.813	79%	0.787	S	S	*	*			trans	80.1	124.8	174.4	-59	179.3	-6.2	0	0	115.5
880	S	29.3	Very low	27.1	Very low	108 Å²	108	134.1 Å²	134.1	76%	0.755	79%	0.786	S	S	*	*			cis	90.4	137	39.6	76.2	0	0	0	0	113.4
881	S	29.2	Very low	28.7	Very low	97 Å²	97	133.2 Å²	133.2	68%	0.678	78%	0.783	S	S	*	*			cis	-162.3	152.3	26	55	0	0	0	0	116.6
882	T	27.8	Very low	28.6	Very low	134 Å²	134	136.7 Å²	136.7	82%	0.822	78%	0.784	S	S	*	*			trans	52.4	123	143	56.9	0	0	0	0	124.6
883	S	24.6	Very low	28.4	Very low	127 Å²	127	133.5 Å²	133.5	89%	0.888	78%	0.781	S	S	*	*				-168.2	155.3	129	61.3	0	0	0	0	115.2
884	S	27.9	Very low	28.9	Very low	121 Å²	121	133.7 Å²	133.7	85%	0.846	79%	0.788	S	S	*	*			trans	-70.8	179.7	-175.3	-49.8	0	0	0	0	117
885	A	25.2	Very low	29	Very low	84 Å²	84	131.2 Å²	131.2	69%	0.694	79%	0.786	S	S	*	*			cis	178.6	146.2	-36.4	0	0	0	0	0	112
886	K	27	Very low	28.9	Very low	199 Å²	199	138.1 Å²	138.1	87%	0.865	80%	0.799	S	S	*	*			trans	56.6	165.2	162.8	-54.2	-174.7	177.2	-177.5	0	117.9
887	T	25.9	Very low	28.9	Very low	126 Å²	126	137.5 Å²	137.5	77%	0.773	80%	0.796	S	S	*	*			cis	-158.8	151.9	7.1	-19.6	0	0	0	0	112.3
888	A	24.8	Very low	28.9	Very low	87 Å²	87	138.3 Å²	138.3	72%	0.719	80%	0.799	S	S	*	*			trans	60.1	165.4	149.6	0	0	0	0	0	119.7
889	L	27	Very low	28.7	Very low	153 Å²	153	137.2 Å²	137.2	80%	0.801	79%	0.794	S	S	*	*			cis	-133.1	173.8	12.1	-91.8	172.8	0	0	0	113.3
890	G	26.7	Very low	28.6	Very low	71 Å²	71	137.2 Å²	137.2	73%	0.732	79%	0.791	S	S	*	*			trans	-91.7	-162	-176.8	0	0	0	0	0	117.5
891	P	56.7	Low	28.3	Very low	126 Å²	126	139 Å²	139	82%	0.818	80%	0.797	S	S	*	*			trans	-106.3	165.5	-157.4	39.5	-36.8	0	0	0	116.2
892	R	28.8	Very low	28.2	Very low	234 Å²	234	138.7 Å²	138.7	88%	0.883	80%	0.8	S	S	*	*				178.3	145.3	126.8	-102.3	-179.8	173.3	173.5	-0.2	117.5
893	V	24	Very low	28.2	Very low	129 Å²	129	140.3 Å²	140.3	78%	0.782	80%	0.803	S	S	*	*			trans	73.4	132.6	139.3	171.8	0	0	0	0	122.2
894	L	34.9	Very low	28.3	Very low	160 Å²	160	145.8 Å²	145.8	84%	0.838	80%	0.804	S	S	*	*			trans	-81.9	144	168.2	-94.1	152.8	0	0	0	113.9
895	P	29.9	Very low	28	Very low	119 Å²	119	148.7 Å²	148.7	77%	0.773	80%	0.801	S	S	*	*			trans	-108.5	175.3	152.3	-1.5	23	0	0	0	113.6
896	K	23.7	Very low	27.9	Very low	208 Å²	208	149.8 Å²	149.8	90%	0.904	80%	0.8	S	S	*	*			trans	-99.4	162	-166.2	-72.4	177	177.5	173.5	0	116
897	L	27.1	Very low	27.7	Very low	157 Å²	157	147.3 Å²	147.3	82%	0.822	80%	0.796	S	S	*	*			trans	-40.2	151.2	164.5	-146	89.3	0	0	0	116.8
898	P	26.8	Very low	27.6	Very low	114 Å²	114	149.5 Å²	149.5	74%	0.74	80%	0.797	S	S	*	*			trans	-96	157.3	149.4	35.3	-30.6	0	0	0	113.2
899	Q	27.1	Very low	27.6	Very low	154 Å²	154	152.6 Å²	152.6	72%	0.72	80%	0.801	S	S	*	*			trans	-82.7	-180	176.8	-52.3	176.3	-8.5	0	0	110.3
900	K	25.4	Very low	27.5	Very low	174 Å²	174	150.3 Å²	150.3	76%	0.757	80%	0.798	S	S	*	*			cis	-170.5	168.2	16.8	-146.2	159.1	-167	153.1	0	109.5
901	V	24.5	Very low	27.4	Very low	145 Å²	145	152.1 Å²	152.1	88%	0.879	79%	0.79	S	S	*	*			trans	158.1	147.9	132.3	161.8	0	0	0	0	109.5
902	A	25.8	Very low	25.8	Very low	90 Å²	90	149.1 Å²	149.1	74%	0.744	77%	0.767	S	S	*	*			trans	-105.6	171.4	-160.3	0	0	0	0	0	115.5
903	L	28.3	Very low	25.6	Very low	168 Å²	168	145 Å²	145	88%	0.88	76%	0.755	S	S	*	*			trans	-67.3	140.8	178.8	-66.5	74.9	0	0	0	113.6
904	R	26.1	Very low	25.7	Very low	243 Å²	243	143.6 Å²	143.6	92%	0.917	75%	0.751	S	S	*	*			trans	-141.1	119.9	138.7	-64.2	-172.7	177	164.1	-1.1	105.8
905	K	22.9	Very low	25.2	Very low	181 Å²	181	142.9 Å²	142.9	79%	0.787	75%	0.748	S	S	*	*				87.4	102.8	53.4	-168.5	-171.3	-176.9	-168.9	0	111.9
906	T	23.2	Very low	24.9	Very low	108 Å²	108	144.6 Å²	144.6	66%	0.663	75%	0.749	S	S	*	*			trans	55.2	153.7	158.2	68.9	0	0	0	0	117.1
907	D	22.6	Very low	26	Very low	147 Å²	147	140 Å²	140	79%	0.786	74%	0.741	S	S	*	*			cis	-149.8	-167.4	33.4	-93.4	-69.2	0	0	0	113.8
908	H	24	Very low	26.6	Very low	172 Å²	172	138.3 Å²	138.3	80%	0.796	74%	0.739	S	S	*	*			trans	-106.7	154.8	-167.3	-95.2	-102.3	0	0	0	116.6
909	L	23.6	Very low	26.5	Very low	151 Å²	151	141 Å²	141	79%	0.791	74%	0.742	S	S	*	*			trans	83.6	144.9	145.8	-76.2	163.5	0	0	0	123.9
910	S	24.4	Very low	26.4	Very low	106 Å²	106	139.7 Å²	139.7	74%	0.741	74%	0.738	S	S	*	*			trans	67.8	156	155	-71.7	0	0	0	0	119.2
911	L	25.1	Very low	26.3	Very low	108 Å²	108	139.3 Å²	139.3	57%	0.565	74%	0.737	S	S	*	*			cis	174	169.6	-18.4	-149.9	77.7	0	0	0	103.4
912	D	23.9	Very low	26.3	Very low	63 Å²	63	139.2 Å²	139.2	34%	0.337	73%	0.727	S	S	.	*			cis	-160.5	154.9	4.4	-155.5	6	0	0	0	109.4	Q976	D912-Q976 PolarHBondContact OD2-NE2 3.24Å
913	K	24.8	Very low	26.2	Very low	148 Å²	148	143.6 Å²	143.6	64%	0.643	73%	0.729	S	S	*	*			trans	44.5	172.5	153.8	-71.3	161.5	-165.7	150.6	0	121.8
914	S	25.5	Very low	26.1	Very low	99 Å²	99	140.1 Å²	140.1	69%	0.692	72%	0.719	S	S	*	*			cis	-157.5	167.5	22.5	-37.6	0	0	0	0	116.2
915	N	23.9	Very low	26	Very low	146 Å²	146	134.1 Å²	134.1	78%	0.781	71%	0.714	S	S	*	*			trans	84.9	88.6	143.7	-66.5	3.2	0	0	0	125.5
916	I	25.3	Very low	26.1	Very low	155 Å²	155	134.1 Å²	134.1	80%	0.795	72%	0.717	S	S	*	*				4	173.1	114.4	-11.9	166.2	0	0	0	120.8
917	P	46	Very low	26.3	Very low	111 Å²	111	136.3 Å²	136.3	72%	0.721	72%	0.724	S	S	*	*				-115.4	-158	-81.6	45.5	-28.6	0	0	0	113.3
918	P	40.5	Very low	26.6	Very low	121 Å²	121	133.2 Å²	133.2	79%	0.786	72%	0.719	S	S	*	*				-150.3	151.4	70.4	39.2	-17.2	0	0	0	120.5
919	E	24.6	Very low	26.6	Very low	170 Å²	170	134.3 Å²	134.3	79%	0.794	72%	0.724	S	S	*	*			trans	9.2	162.4	141.4	-92.7	-173.5	145.7	0	0	128.7
920	I	24.8	Very low	26.7	Very low	127 Å²	127	134.1 Å²	134.1	65%	0.651	72%	0.723	S	S	*	*			trans	106.6	117.3	136.1	-88.3	159.4	0	0	0	123
921	F	23.6	Very low	27.7	Very low	167 Å²	167	134.3 Å²	134.3	73%	0.732	72%	0.722	S	S	*	*			trans	67.1	155.7	146.9	-80.5	-140.6	0	0	0	121.3
922	Q	24.5	Very low	27.8	Very low	142 Å²	142	136.3 Å²	136.3	66%	0.664	73%	0.728	S	S	*	*			cis	-161.4	158.6	-22.3	-122.8	-169.7	21.8	0	0	112.2
923	K	23.8	Very low	28	Very low	183 Å²	183	141.5 Å²	141.5	80%	0.796	75%	0.748	S	S	*	*			trans	19.9	156.2	140.2	-93.8	-174.9	175	178.9	0	122.5
924	S	25.5	Very low	28.9	Very low	95 Å²	95	139.7 Å²	139.7	66%	0.664	75%	0.751	S	S	*	*			cis	-173.6	164.7	0.7	-167.7	0	0	0	0	110.9
925	S	23.2	Very low	30.7	Very low	117 Å²	117	140.4 Å²	140.4	82%	0.818	75%	0.754	S	S	*	*			trans	172.7	161.5	132.9	-79.6	0	0	0	0	115.2
926	Q	26.5	Very low	31.9	Very low	180 Å²	180	139.6 Å²	139.6	84%	0.841	76%	0.757	S	S	*	*			trans	-113.2	-174.9	176.1	-61.4	168.4	-62.9	0	0	109.1
927	L	27.3	Very low	32.2	Very low	154 Å²	154	135.4 Å²	135.4	81%	0.806	75%	0.751	S	S	*	*			cis	-177.8	160	42.5	-137.6	158.3	0	0	0	111
928	A	27.7	Very low	31.5	Very low	82 Å²	82	137.4 Å²	137.4	68%	0.678	76%	0.756	S	S	*	*			trans	68.8	159.8	160.5	0	0	0	0	0	119
929	E	24.3	Very low	31.2	Very low	195 Å²	195	139.1 Å²	139.1	91%	0.911	76%	0.758	S	S	*	*			cis	-148.1	-166.6	1.4	-143.1	172	165.5	0	0	113.6
930	L	26.7	Very low	32.5	Very low	147 Å²	147	136.5 Å²	136.5	77%	0.77	76%	0.755	S	S	*	*			trans	-139.3	156.3	-164.5	-135.8	168.8	0	0	0	111.8
931	P	43.7	Very low	33.8	Very low	111 Å²	111	135.7 Å²	135.7	72%	0.721	76%	0.758	S	S	*	*				-155.1	143.6	115.3	36.6	-17.8	0	0	0	119.3
932	Q	28.3	Very low	33.9	Very low	149 Å²	149	137.3 Å²	137.3	70%	0.696	77%	0.765	S	S	*	*				30	163.9	129.7	-41.2	-175.4	29.5	0	0	122.3
933	K	27.1	Very low	34.9	Very low	172 Å²	172	135.4 Å²	135.4	75%	0.748	77%	0.765	S	S	*	*			cis	-150.9	-134.9	17.8	-146.7	167.4	-171.5	140	0	115.6
934	P	43.7	Very low	35.2	Very low	110 Å²	110	131.9 Å²	131.9	71%	0.714	76%	0.759	S	S	*	*			trans	-133.4	-138.8	-136.4	56	-34.7	0	0	0	116.5
935	P	63.6	Low	35.4	Very low	115 Å²	115	135.3 Å²	135.3	75%	0.747	76%	0.764	S	S	*	*			trans	-131.6	-141.5	-142.9	35.7	-5.3	0	0	0	114.4
936	P	49.6	Very low	35.5	Very low	129 Å²	129	136.3 Å²	136.3	84%	0.838	76%	0.76	S	S	*	*				-146.4	-159.2	61.6	40.6	-17.7	0	0	0	116.1
937	G	31.7	Very low	35.5	Very low	66 Å²	66	132 Å²	132	68%	0.68	76%	0.755	S	S	*	*			trans	-154.7	-140.4	-175.4	0	0	0	0	0	116.1
938	D	32.1	Very low	35.9	Very low	154 Å²	154	129.5 Å²	129.5	82%	0.824	75%	0.748	S	S	*	*			trans	97.9	140.5	-176.5	-61.1	-32.7	0	0	0	116.6
939	L	33.8	Very low	35.8	Very low	157 Å²	157	136.4 Å²	136.4	82%	0.822	76%	0.757	S	S	*	*			cis	82.7	160.8	31.9	-64.6	173.6	0	0	0	114.4
940	P	50.5	Low	36	Very low	114 Å²	114	132.4 Å²	132.4	74%	0.74	75%	0.747	S	S	*	*			cis	-132.4	-135.6	2.1	43.6	-22.7	0	0	0	111.9
941	P	53.1	Low	36.1	Very low	110 Å²	110	134 Å²	134	71%	0.714	75%	0.751	S	S	*	*			cis	-132.8	158.2	-31.9	37.5	-19.6	0	0	0	118.2
942	K	26.1	Very low	35.4	Very low	201 Å²	201	135.8 Å²	135.8	87%	0.874	76%	0.76	S	S	*	*			trans	14.6	172.1	131.9	-95.5	179.7	-179.7	-179.9	0	124
943	P	44.2	Very low	35.5	Very low	102 Å²	102	131.8 Å²	131.8	66%	0.662	76%	0.758	S	S	*	*			cis	-143.8	-165.8	3.8	33.8	-8.1	0	0	0	118.5
944	T	31.4	Very low	35.6	Very low	109 Å²	109	131 Å²	131	67%	0.669	76%	0.762	S	S	*	*			trans	71.6	117.9	149.5	36.2	0	0	0	0	120.5
945	E	29.1	Very low	35.3	Very low	167 Å²	167	133.6 Å²	133.6	78%	0.78	77%	0.769	S	S	*	*				87.6	146.5	80.8	-83.4	-164.5	129.5	0	0	115.3
946	L	25.1	Very low	34.1	Very low	139 Å²	139	133.4 Å²	133.4	73%	0.728	77%	0.768	S	S	*	*			cis	-165	104.8	-29	-133.6	-176.5	0	0	0	111.8
947	A	26.1	Very low	34	Very low	88 Å²	88	132.7 Å²	132.7	73%	0.727	76%	0.763	S	S	*	*			trans	59.9	-170.8	158.4	0	0	0	0	0	117.4
948	P	35.3	Very low	34.2	Very low	103 Å²	103	139 Å²	139	67%	0.669	77%	0.772	S	S	*	*			cis	-138.5	-174.1	-7.6	43.1	-25.1	0	0	0	117.1
949	R	25.5	Very low	34.3	Very low	226 Å²	226	137.8 Å²	137.8	85%	0.853	77%	0.772	S	S	*	*			trans	77.7	160.5	158.9	-63.6	169.9	-179	-173.1	-0.6	119
950	P	30.1	Very low	34	Very low	111 Å²	111	133.4 Å²	133.4	72%	0.721	77%	0.765	S	S	*	*			cis	-128.1	148.8	-46	35.9	-21.4	0	0	0	111.7
951	Q	27.4	Very low	32.8	Very low	181 Å²	181	137.4 Å²	137.4	85%	0.846	77%	0.774	S	S	*	*				82.8	152.1	50.1	-87.8	-169.4	-26.8	0	0	117.1
952	V	30.2	Very low	31.7	Very low	149 Å²	149	140.3 Å²	140.3	90%	0.903	78%	0.783	S	S	*	*			trans	83.6	123.7	-176	-171.9	0	0	0	0	114.1
953	G	29.8	Very low	32.1	Very low	64 Å²	64	136.1 Å²	136.1	66%	0.66	78%	0.776	S	S	*	*			cis	179.2	159.3	-5.5	0	0	0	0	0	109
954	D	29.9	Very low	31.7	Very low	157 Å²	157	137.1 Å²	137.1	84%	0.84	78%	0.782	S	S	*	*			cis	-151.5	174.6	3.6	-104.7	-57.3	0	0	0	112.8
955	L	35.9	Very low	31.8	Very low	164 Å²	164	141 Å²	141	86%	0.859	79%	0.79	S	S	*	*			trans	-97.2	-170.2	179.9	-76.8	168.6	0	0	0	110.9
956	P	39.9	Very low	31.8	Very low	111 Å²	111	138.8 Å²	138.8	72%	0.721	79%	0.79	S	S	*	*			cis	-146.2	-148.5	13.6	46.3	-23.9	0	0	0	113.9
957	P	47.8	Very low	32.1	Very low	114 Å²	114	141.3 Å²	141.3	74%	0.74	80%	0.798	S	S	*	*			cis	-121.8	-177.7	-39.4	26	-5.2	0	0	0	113.5
958	K	35.7	Very low	32.7	Very low	199 Å²	199	145.9 Å²	145.9	87%	0.865	81%	0.81	S	S	*	*			trans	-74.9	159.8	157.4	-73	-177.8	174.9	-179.8	0	111.5
959	P	33.1	Very low	32.4	Very low	127 Å²	127	143.8 Å²	143.8	83%	0.825	81%	0.806	S	S	*	*				-130.5	-179.3	115.4	38.1	-31.4	0	0	0	113.2
960	G	27.5	Very low	32.7	Very low	65 Å²	65	141 Å²	141	67%	0.67	81%	0.808	S	S	*	*			trans	-107.3	-157.4	168.7	0	0	0	0	0	111.9
961	E	26.6	Very low	33	Very low	198 Å²	198	143.7 Å²	143.7	93%	0.925	82%	0.816	S	S	*	*			trans	65.2	116.4	-179.6	-57.4	-164.7	137.7	0	0	116.4
962	L	29.7	Very low	33.3	Very low	172 Å²	172	140.6 Å²	140.6	90%	0.901	81%	0.812	S	S	*	*			trans	-129.3	134.2	156.5	-85.2	173.2	0	0	0	108.9
963	P	33	Very low	33.9	Very low	113 Å²	113	139.6 Å²	139.6	73%	0.734	81%	0.808	S	S	*	*			trans	-79	176	-176	34.9	-37.6	0	0	0	112.4
964	P	36.2	Very low	34.5	Very low	122 Å²	122	142.9 Å²	142.9	79%	0.792	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-82.8	158.6	-155.2	32	-36.2	0	0	0	116.1	P966	P964-P966 WeakPolarHBondContact O-CD 3.46Å
965	K	33.3	Very low	34.7	Very low	190 Å²	190	140.8 Å²	140.8	83%	0.826	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-49.8	119.1	168.4	-179.6	-179.9	-175	177.3	0	112.8
966	P	29.6	Very low	34.5	Very low	122 Å²	122	139.4 Å²	139.4	79%	0.792	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-62.1	140.8	165	-20.2	33.1	0	0	0	110.8	P964	P964-P966 WeakPolarHBondContact O-CD 3.46Å
967	Q	31.6	Very low	34.8	Very low	191 Å²	191	142.7 Å²	142.7	89%	0.893	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-91.6	159.6	177.9	-75.8	-175.9	-33.2	0	0	112.4
968	L	38.2	Very low	34.4	Very low	185 Å²	185	141.7 Å²	141.7	97%	0.969	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-84.6	134.3	175.2	-173.9	74.8	0	0	0	109.9
969	G	28.8	Very low	34.4	Very low	58 Å²	58	139.6 Å²	139.6	60%	0.598	79%	0.792	S	S	*	*			trans	157.8	145	173.8	0	0	0	0	0	110.8
970	D	33.3	Very low	34.4	Very low	167 Å²	167	141.2 Å²	141.2	89%	0.893	79%	0.793	S	S	*	*			cis	-151.4	163	-6.7	-107.5	-44.5	0	0	0	111.3
971	L	34.8	Very low	34.7	Very low	169 Å²	169	143.5 Å²	143.5	89%	0.885	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-94.2	128.1	-179.3	-74.1	168.1	0	0	0	112.5
972	P	34.1	Very low	35.3	Very low	116 Å²	116	139.7 Å²	139.7	75%	0.753	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-79.6	161.8	173	32.2	-34.1	0	0	0	113.2
973	P	42.3	Very low	35.9	Very low	127 Å²	127	141.3 Å²	141.3	83%	0.825	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-95.1	173.9	-161.2	37.4	-38.2	0	0	0	116.9
974	K	44.3	Very low	35.8	Very low	134 Å²	134	141.6 Å²	141.6	58%	0.583	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-82.3	129.1	-173.8	177.9	-177	-179.7	-176.4	0	114.6
975	P	32.7	Very low	35.4	Very low	113 Å²	113	144.5 Å²	144.5	73%	0.734	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-79	170.2	167.2	-13	29.9	0	0	0	114.5
976	Q	32.7	Very low	35.7	Very low	134 Å²	134	143.4 Å²	143.4	63%	0.626	79%	0.793	S	S	*	*			trans	-114.6	177.9	176.6	-80	-168	-8.8	0	0	113.1	D912 S978	D912-Q976 PolarHBondContact OD2-NE2 3.24Å; Q976-S978 PolarHBondContact O-N 3.03Å
977	L	44.9	Very low	35.6	Very low	181 Å²	181	146.1 Å²	146.1	95%	0.948	79%	0.793	S	S	*	*	S	Bend	trans	-85.7	78	-172.2	-175	71.7	0	0	0	112.7
978	S	41.1	Very low	35.6	Very low	92 Å²	92	144.6 Å²	144.6	64%	0.643	79%	0.79	S	S	*	*			trans	-160	147.6	165.9	52.3	0	0	0	0	109.7	Q976	Q976-S978 PolarHBondContact O-N 3.03Å
979	D	35	Very low	35.2	Very low	155 Å²	155	142.8 Å²	142.8	83%	0.829	78%	0.781	S	S	*	*			trans	74.5	125	-165.8	-49.9	-35	0	0	0	112.4
980	L	32.8	Very low	35.8	Very low	161 Å²	161	145.3 Å²	145.3	84%	0.843	79%	0.787	S	S	*	*			cis	-138.9	177.4	28.2	-81.4	174.8	0	0	0	113.7
981	P	34.3	Very low	36.1	Very low	114 Å²	114	143.3 Å²	143.3	74%	0.74	78%	0.783	S	S	*	*			trans	-103.5	-146.7	-153.9	40	-33.1	0	0	0	117.4
982	P	38.5	Very low	36	Very low	117 Å²	117	144 Å²	144	76%	0.76	78%	0.779	S	S	*	*				-121.5	-177.6	-98.3	41.5	-25.2	0	0	0	116.1
983	K	41.8	Very low	35.7	Very low	207 Å²	207	144.1 Å²	144.1	90%	0.9	78%	0.78	S	S	*	*			trans	-97.5	131.3	179	-96.5	-176.4	174.6	177.4	0	115.1
984	P	31.3	Very low	34.7	Very low	118 Å²	118	146.6 Å²	146.6	77%	0.766	78%	0.78	S	S	*	*			trans	-116.6	138.2	141	34.3	-23.8	0	0	0	109.9
985	Q	28.1	Very low	34.1	Very low	183 Å²	183	149 Å²	149	86%	0.855	80%	0.798	S	S	*	*			cis	112.2	86.8	35.7	-88.2	-157.6	14.1	0	0	112.7
986	M	40.2	Very low	33.8	Very low	168 Å²	168	146.7 Å²	146.7	83%	0.828	80%	0.796	S	S	*	*			trans	50.8	141.9	131.5	-70.1	-77	-76.9	0	0	122.8
987	K	26.2	Very low	33.5	Very low	179 Å²	179	147.1 Å²	147.1	78%	0.778	80%	0.802	S	S	*	*			trans	90.5	141.2	177	-57.3	171.8	-177.6	176.8	0	113.2
988	D	31.4	Very low	32.5	Very low	158 Å²	158	146.8 Å²	146.8	85%	0.845	80%	0.801	S	S	*	*			cis	-106.6	-173.8	15.9	-76.3	-56.3	0	0	0	116.9
989	L	29.7	Very low	31.7	Very low	147 Å²	147	149.3 Å²	149.3	77%	0.77	81%	0.806	S	S	*	*			trans	-146	175.8	-165.2	-66.4	160.9	0	0	0	109.4
990	P	43.3	Very low	31.4	Very low	111 Å²	111	146.3 Å²	146.3	72%	0.721	80%	0.803	S	S	*	*				-116.5	-173.6	-56.1	41.5	-28.1	0	0	0	109.6
991	P	37.8	Very low	31.1	Very low	126 Å²	126	148.4 Å²	148.4	82%	0.818	81%	0.805	S	S	*	*				-141	176.6	82.8	36.4	-19.6	0	0	0	113.5
992	K	33.3	Very low	30.9	Very low	183 Å²	183	147.7 Å²	147.7	80%	0.796	80%	0.803	S	S	*	*			trans	-134.8	116.9	-178	176.9	-177.1	-179.8	-177.7	0	109.8
993	P	27.2	Very low	30.4	Very low	119 Å²	119	151.5 Å²	151.5	77%	0.773	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-65.2	136.9	164.1	-17	31.3	0	0	0	109.9
994	Q	22.8	Very low	29.7	Very low	178 Å²	178	148 Å²	148	83%	0.832	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-84.5	166.7	165.9	-66.3	168.1	-93.9	0	0	109.7	G996	Q994-G996 PolarHBondContact O-N 3.49Å
995	L	32	Very low	29.5	Very low	184 Å²	184	145.7 Å²	145.7	96%	0.963	80%	0.804	S	S	*	*	S	Bend	trans	-54.8	126.7	148.9	179.4	73.1	0	0	0	107.9
996	G	24.8	Very low	29.6	Very low	66 Å²	66	144.8 Å²	144.8	68%	0.68	81%	0.805	S	S	*	*			trans	-172.3	133.7	-179.4	0	0	0	0	0	114.6	Q994	Q994-G996 PolarHBondContact O-N 3.49Å
997	D	27.3	Very low	29.2	Very low	142 Å²	142	143.2 Å²	143.2	76%	0.759	81%	0.805	S	S	*	*			trans	-67.8	154.8	168.3	-56.1	-92.3	0	0	0	112.5
998	L	23.9	Very low	29.6	Very low	175 Å²	175	139.9 Å²	139.9	92%	0.916	80%	0.804	S	S	*	*			trans	-121.9	93.5	150.9	-69	175.8	0	0	0	106.5
999	L	24.9	Very low	31.1	Very low	145 Å²	145	137.5 Å²	137.5	76%	0.759	80%	0.797	S	S	*	*				54.2	98.6	72.9	-71.1	171.8	0	0	0	114.8
1000	A	28.6	Very low	31.1	Very low	92 Å²	92	139.7 Å²	139.7	76%	0.76	80%	0.8	S	S	*	*			trans	59.9	113.5	134.8	0	0	0	0	0	120
1001	K	25.8	Very low	30.5	Very low	205 Å²	205	137.8 Å²	137.8	89%	0.891	79%	0.794	S	S	*	*				-148.8	130	117	-118.5	169.4	-174.8	175.8	0	114.4
1002	S	30	Very low	30.1	Very low	98 Å²	98	139.5 Å²	139.5	69%	0.685	79%	0.791	S	S	*	*			trans	-24.2	130.5	163.9	52.5	0	0	0	0	118.9
1003	Q	27.5	Very low	29.6	Very low	197 Å²	197	139 Å²	139	92%	0.921	79%	0.792	S	S	*	*				-142.3	164.9	123.8	-100.4	-179.1	10.1	0	0	108.7
1004	T	27.7	Very low	30.5	Very low	135 Å²	135	139 Å²	139	83%	0.828	79%	0.791	S	S	*	*			trans	-141.1	137.8	-150.4	50.2	0	0	0	0	115.7
1005	G	26.7	Very low	31	Very low	69 Å²	69	135.4 Å²	135.4	71%	0.711	79%	0.786	S	S	*	*			trans	118.1	122.5	150.4	0	0	0	0	0	117.2
1006	D	29.9	Very low	30.9	Very low	164 Å²	164	134.8 Å²	134.8	88%	0.877	78%	0.778	S	S	*	*			trans	55.7	145.9	150.3	-63.3	-19.4	0	0	0	121.2
1007	V	32.5	Very low	31	Very low	135 Å²	135	137.2 Å²	137.2	82%	0.818	78%	0.78	S	S	*	*			cis	-148.7	166	-1.7	108.9	0	0	0	0	112.5
1008	S	34.7	Very low	30.8	Very low	108 Å²	108	136.4 Å²	136.4	76%	0.755	78%	0.78	S	S	*	*			trans	-67.8	179	-175.5	-113.3	0	0	0	0	116.8
1009	P	63	Low	32	Very low	108 Å²	108	132.6 Å²	132.6	70%	0.701	77%	0.766	S	S	*	*			cis	-127.3	-156.3	12.8	44.3	-26.5	0	0	0	113.2
1010	K	29.7	Very low	32	Very low	193 Å²	193	135 Å²	135	84%	0.839	77%	0.77	S	S	*	*			cis	-168.7	172.9	-4.8	-124.7	163.6	173.5	-175	0	104.8
1011	A	29.9	Very low	31.8	Very low	72 Å²	72	134.6 Å²	134.6	60%	0.595	76%	0.762	S	S	*	*			cis	176.1	166.1	-25.2	0	0	0	0	0	108.1
1012	Q	29.6	Very low	31.8	Very low	161 Å²	161	133.3 Å²	133.3	75%	0.752	76%	0.759	S	S	*	*			cis	-170.1	125	-19.2	-101.8	167.8	-102.1	0	0	109.9
1013	Q	22.8	Very low	32.6	Very low	174 Å²	174	133.6 Å²	133.6	81%	0.813	76%	0.759	S	S	*	*			trans	53.6	174.1	135.5	-93.1	-177.3	-7.1	0	0	123.2
1014	P	47.3	Very low	32.5	Very low	117 Å²	117	132.2 Å²	132.2	76%	0.76	76%	0.756	S	S	*	*			cis	-131.8	-159.5	-11.9	28.9	-3.8	0	0	0	116.2
1015	S	31.6	Very low	32.3	Very low	104 Å²	104	132.9 Å²	132.9	73%	0.727	76%	0.755	S	S	*	*			trans	-86.9	-163.3	-164.7	47.8	0	0	0	0	117
1016	E	30.6	Very low	32.3	Very low	170 Å²	170	136.9 Å²	136.9	79%	0.794	76%	0.759	S	S	*	*			cis	-173.7	177.3	27.1	-151.9	-170.5	153.5	0	0	116.4
1017	V	26.6	Very low	32.2	Very low	118 Å²	118	134.2 Å²	134.2	72%	0.715	75%	0.753	S	S	*	*			trans	85.9	149.9	157.5	-149.2	0	0	0	0	122.5
1018	T	23.3	Very low	32.6	Very low	124 Å²	124	134.3 Å²	134.3	76%	0.761	76%	0.757	S	S	*	*			trans	-150.1	-142.3	-179.7	54.3	0	0	0	0	109.6
1019	P	48.7	Very low	32.1	Very low	95 Å²	95	136.1 Å²	136.1	62%	0.617	76%	0.758	S	S	*	*			cis	-138.5	176.6	-30.7	39.5	-20.9	0	0	0	117.3
1020	K	24.8	Very low	30.4	Very low	195 Å²	195	136.2 Å²	136.2	85%	0.848	76%	0.756	S	S	*	*			trans	65.8	174.8	148.4	-76.7	165.8	-173.9	179.1	0	120.1
1021	S	24.5	Very low	30.2	Very low	85 Å²	85	134.8 Å²	134.8	59%	0.594	75%	0.753	S	S	*	*			cis	-176.5	153.4	-41.8	62.5	0	0	0	0	113.9
1022	H	25.9	Very low	30.1	Very low	177 Å²	177	136.1 Å²	136.1	82%	0.819	76%	0.758	S	S	*	*			trans	74.9	-178.6	163.7	-59.9	-70.1	0	0	0	118.6
1023	P	47.8	Very low	29.9	Very low	105 Å²	105	140.2 Å²	140.2	68%	0.682	77%	0.766	S	S	*	*				-137.3	177.1	-82.7	44.3	-27.6	0	0	0	117.6
1024	L	24.8	Very low	30.2	Very low	167 Å²	167	139.7 Å²	139.7	87%	0.874	77%	0.769	S	S	*	*			trans	40.8	130.3	151.8	-69.8	167.7	0	0	0	122.2
1025	D	23.6	Very low	29.5	Very low	150 Å²	150	138.1 Å²	138.1	80%	0.802	77%	0.766	S	S	*	*				-163.6	179.1	117.6	-138	-9.7	0	0	0	117
1026	L	26.2	Very low	29.4	Very low	153 Å²	153	141 Å²	141	80%	0.801	77%	0.771	S	S	*	*			trans	-48.8	172.7	-171.7	-75.3	153.7	0	0	0	122.5
1027	S	28.1	Very low	29.2	Very low	107 Å²	107	141.8 Å²	141.8	75%	0.748	78%	0.775	S	S	*	*			trans	-119.3	163.7	166.3	-45.2	0	0	0	0	111.5
1028	P	40.6	Very low	29.2	Very low	138 Å²	138	144.2 Å²	144.2	90%	0.896	78%	0.776	S	S	*	*				-144.4	-162.9	121.3	38.1	-21.9	0	0	0	115.2
1029	N	25.6	Very low	29.4	Very low	146 Å²	146	145.6 Å²	145.6	78%	0.781	77%	0.774	S	S	*	*			trans	-132.5	-161.4	-163.8	-173.4	12.9	0	0	0	111.1
1030	V	26.9	Very low	28.4	Very low	109 Å²	109	144.9 Å²	144.9	66%	0.661	78%	0.776	S	S	*	*			trans	97.4	105.6	168.3	-177.1	0	0	0	0	113.5
1031	Q	25.3	Very low	28.6	Very low	164 Å²	164	140.4 Å²	140.4	77%	0.766	77%	0.769	S	S	*	*				68.4	153.4	80.1	-67.9	172.2	0.2	0	0	114.7
1032	S	28	Very low	28.9	Very low	100 Å²	100	145.5 Å²	145.5	70%	0.699	78%	0.784	S	S	*	*			cis	-176.5	161	-18.1	56.9	0	0	0	0	109.5
1033	R	25.2	Very low	29.3	Very low	247 Å²	247	143.9 Å²	143.9	93%	0.932	78%	0.781	S	S	*	*			trans	166	160.2	144.4	-98.1	175.9	176.7	-162.3	-2.2	115.3
1034	D	29.1	Very low	28.7	Very low	162 Å²	162	142.8 Å²	142.8	87%	0.866	78%	0.776	S	S	*	*			trans	-108.4	170.6	175.8	-68.7	-79	0	0	0	113.8
1035	A	31.8	Very low	29	Very low	85 Å²	85	141 Å²	141	70%	0.702	77%	0.767	S	S	*	*			trans	119.4	118.8	132.9	0	0	0	0	0	121.2
1036	I	29.9	Very low	29.3	Very low	163 Å²	163	139.7 Å²	139.7	84%	0.836	76%	0.76	S	S	*	*			trans	72.3	124.3	134.8	-62.9	167.9	0	0	0	121
1037	Q	26.3	Very low	29.6	Very low	188 Å²	188	138.4 Å²	138.4	88%	0.879	75%	0.753	S	S	*	*				-165.2	160.4	112.6	-151.7	152	26	0	0	115.3
1038	K	27.7	Very low	29.3	Very low	168 Å²	168	139 Å²	139	73%	0.73	75%	0.753	S	S	*	*			trans	-69	170.9	-179	-75	167.5	163	-105.9	0	113.9
1039	Q	27.3	Very low	29.5	Very low	154 Å²	154	137.3 Å²	137.3	72%	0.72	74%	0.742	S	S	*	*			cis	-171	179.9	-3.5	-113.9	178.1	-114.7	0	0	107.3
1040	A	26.3	Very low	29.4	Very low	79 Å²	79	136 Å²	136	65%	0.653	74%	0.739	S	S	*	*			cis	-160.1	-150.1	-16.9	0	0	0	0	0	106
1041	S	29.7	Very low	29.3	Very low	102 Å²	102	138.3 Å²	138.3	71%	0.713	75%	0.747	S	S	*	*			cis	-172	151.1	-6	28.9	0	0	0	0	108.7
1042	E	32	Very low	29.7	Very low	191 Å²	191	135.4 Å²	135.4	89%	0.893	74%	0.742	S	S	*	*			trans	58.8	128.5	169.1	-67	174.1	178.5	0	0	117
1043	D	33.9	Very low	29.5	Very low	144 Å²	144	138.4 Å²	138.4	77%	0.77	75%	0.745	S	S	*	*			cis	-168.6	170	-3.3	-162	24.6	0	0	0	106.4
1044	S	34.6	Very low	29.6	Very low	82 Å²	82	132.8 Å²	132.8	57%	0.573	74%	0.739	S	S	*	*			cis	-165.8	167	-0.3	-132.8	0	0	0	0	106.8
1045	N	31.7	Very low	29.7	Very low	128 Å²	128	131.1 Å²	131.1	68%	0.684	74%	0.736	S	S	*	*			cis	-164.7	176	-20.7	-125.5	-8.7	0	0	0	111
1046	D	28.6	Very low	29.5	Very low	124 Å²	124	133.7 Å²	133.7	66%	0.663	74%	0.743	S	S	*	*			trans	27.4	141.6	149.8	-70	13.6	0	0	0	124.8
1047	L	33.9	Very low	29.7	Very low	125 Å²	125	131 Å²	131	65%	0.654	74%	0.736	S	S	*	*			cis	-168.3	129.8	-13.4	-115	178.1	0	0	0	112.6
1048	T	20.7	Very low	30.2	Very low	120 Å²	120	129.9 Å²	129.9	74%	0.736	74%	0.735	S	S	*	*			trans	51.6	159.5	146.3	48.2	0	0	0	0	124.4
1049	P	44.4	Very low	30.9	Very low	103 Å²	103	126.9 Å²	126.9	67%	0.669	73%	0.733	S	S	*	*			cis	-141.2	178.5	-29.4	37.7	-18.6	0	0	0	117.1
1050	T	23.8	Very low	30.9	Very low	118 Å²	118	130.2 Å²	130.2	72%	0.724	74%	0.739	S	S	*	*			trans	76.2	107.2	151.4	38	0	0	0	0	123.9
1051	L	24.3	Very low	31.4	Very low	158 Å²	158	136.1 Å²	136.1	83%	0.827	75%	0.75	S	S	*	*				60	154.1	127.1	-69.7	171.3	0	0	0	122.5
1052	P	35	Very low	31.4	Very low	102 Å²	102	138.8 Å²	138.8	66%	0.662	76%	0.755	S	S	*	*			cis	-130.5	166.3	-8	39.7	-23.6	0	0	0	117.1
1053	E	24.2	Very low	31.3	Very low	164 Å²	164	137 Å²	137	77%	0.766	75%	0.752	S	S	*	*			trans	62.2	146.3	151.9	-71.8	-175.4	135.8	0	0	123.3
1054	T	26.5	Very low	31.4	Very low	129 Å²	129	137.2 Å²	137.2	79%	0.791	76%	0.758	S	S	*	*			trans	-147.1	147	-173.5	52.7	0	0	0	0	112.9
1055	P	30.9	Very low	31.1	Very low	126 Å²	126	136.7 Å²	136.7	82%	0.818	77%	0.765	S	S	*	*			trans	-85.5	165.4	177.2	36.1	-36.6	0	0	0	114.1
1056	V	27.6	Very low	31.4	Very low	139 Å²	139	140.9 Å²	140.9	84%	0.842	78%	0.778	S	S	*	*			trans	-139.2	134.3	175.5	-179.4	0	0	0	0	111.7
1057	P	34.9	Very low	31.9	Very low	107 Å²	107	142.4 Å²	142.4	70%	0.695	79%	0.786	S	S	*	*			trans	-112.6	139.9	177.8	37.3	-29.3	0	0	0	116.2
1058	L	35.4	Very low	32.9	Very low	164 Å²	164	143.8 Å²	143.8	86%	0.859	79%	0.786	S	S	*	*			trans	67.2	165	153.3	-72.4	168.8	0	0	0	117.3
1059	P	42.5	Very low	35.4	Very low	105 Å²	105	141.9 Å²	141.9	68%	0.682	77%	0.774	S	S	*	*			cis	-146	168.9	25	44	-23.8	0	0	0	121.5
1060	R	27.7	Very low	37.5	Very low	225 Å²	225	141.8 Å²	141.8	85%	0.849	76%	0.761	S	S	*	*			trans	72.8	107.8	145.4	-77.5	167.6	-174.2	-176.8	2.8	123.4
1061	K	36.4	Very low	40.8	Very low	203 Å²	203	139.6 Å²	139.6	88%	0.883	74%	0.739	S	S	*	*			trans	45.9	125.7	132.3	-68.3	-171.5	174.3	-173.7	0	121.6
1062	I	30.7	Very low	44.2	Very low	158 Å²	158	132 Å²	132	81%	0.81	70%	0.7	S	S	*	*			trans	-164.9	147.7	137	-110.8	159.4	0	0	0	112.9
1063	N	29.3	Very low	47	Very low	154 Å²	154	131.7 Å²	131.7	82%	0.824	69%	0.688	S	S	*	*			trans	55	157.8	164.9	-68	-0.1	0	0	0	122.4
1064	T	35.3	Very low	50.3	Low	148 Å²	148	124 Å²	124	91%	0.908	65%	0.652	S	S	*	*			trans	-124.9	129.3	-164.1	50.6	0	0	0	0	114.1
1065	G	29	Very low	53.5	Low	70 Å²	70	120.8 Å²	120.8	72%	0.722	63%	0.629	S	S	*	*			trans	-162.6	121.3	163.3	0	0	0	0	0	108.6	N1067	G1065-N1067 PolarHBondContact O-N 3.04Å
1066	K	37.3	Very low	56.2	Low	217 Å²	217	120.9 Å²	120.9	94%	0.943	61%	0.614	S	S	*	*			trans	-85.9	96.1	-168.1	-66.8	-178.7	-179.6	179.3	0	111.9
1067	N	39.2	Very low	59	Low	156 Å²	156	119.5 Å²	119.5	83%	0.834	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-74.5	132.5	161.5	-74	-11.9	0	0	0	109.7	G1065	G1065-N1067 PolarHBondContact O-N 3.04Å
1068	K	56.1	Low	61.5	Low	154 Å²	154	115.6 Å²	115.6	67%	0.67	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-77	128.9	166.7	-74.1	-171.8	169.5	-172	0	109	D1129	K1068-D1129 HydrophobicContact CD-CB 4.44Å; K1068-D1129 VanDerWaalsContact CE-OXT 3.31Å; K1068-D1129 WeakPolarHBondContact CE-OXT 3.5Å; K1068-D1129 PolarHBondContact NZ-O 3.41Å; K1068-D1129 PolarHBondContact NZ-OXT 3.23Å
1069	V	73.6	Confident	64	Low	80 Å²	80	115.7 Å²	115.7	49%	0.485	57%	0.573	S	S	.	*	P	Polyproline II helix	trans	-79.3	127.4	171.1	176.2	0	0	0	0	107.1	R1071 I1095	V1069-R1071 HydrophobicContact CG1-CG 4.49Å; V1069-R1071 PolarHBondContact O-N 3.39Å; V1069-I1095 HydrophobicContact CG1-CG1 4.45Å; V1069-I1095 HydrophobicContact CG1-CG2 3.57Å
1070	R	88	Confident	66.1	Low	101 Å²	101	111.8 Å²	111.8	38%	0.381	55%	0.549	S	S	.	.	P	Polyproline II helix	trans	-74.6	116.3	177.9	-169.7	-169	-62.4	164.7	10.2	108.6	V1096 E1099 I1126	R1070-V1096 HydrophobicContact CB-CB 4.25Å; R1070-V1096 HydrophobicContact CB-CG2 4.42Å; R1070-V1096 HydrophobicContact CG-CG2 4.31Å; R1070-V1096 WeakPolarHBondContact O-CB 3.48Å; R1070-V1096 WeakPolarHBondContact O-CG2 3.11Å; R1070-V1096 PolarHBondContact O-N 3.2Å; R1070-E1099 IonicContact CZ-OE1 3.38Å; R1070-E1099 IonicContact NH1-OE1 3.81Å; R1070-E1099 PolarHBondContact NH1-OE1 2.95Å; R1070-E1099 IonicContact NH2-OE1 3.16Å; R1070-E1099 PolarHBondContact NH2-OE1 2.9Å; R1070-I1126 HydrophobicContact CG-CG2 4.16Å
1071	R	93.6	Very high	68.6	Low	71 Å²	71	108.3 Å²	108.3	27%	0.268	55%	0.548	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	146.4	174.8	-59.6	-165.1	-71.2	154.8	6.4	109.9	V1069 V1093 I1095 E1110 L1127 D1129	V1069-R1071 HydrophobicContact CG1-CG 4.49Å; V1069-R1071 PolarHBondContact O-N 3.39Å; R1071-V1093 HydrophobicContact CB-CG1 4.23Å; R1071-I1095 HydrophobicContact CG-CG1 4.21Å; R1071-E1110 WeakPolarHBondContact CD-OE1 3.49Å; R1071-E1110 IonicContact CZ-OE1 3.65Å; R1071-E1110 IonicContact NE-OE1 2.66Å; R1071-E1110 IonicContact NH1-OE1 2.65Å; R1071-E1110 PolarHBondContact NH1-OE1 3.47Å; R1071-E1110 IonicContact NH1-OE2 2.7Å; R1071-E1110 PolarHBondContact NH1-OE2 2.97Å; R1071-L1127 HydrophobicContact CB-CB 4.23Å; R1071-L1127 HydrophobicContact CB-CD1 4.31Å; R1071-L1127 PolarHBondContact O-N 3.19Å; R1071-D1129 IonicContact CZ-OD1 3.48Å; R1071-D1129 IonicContact CZ-OD2 3.69Å; R1071-D1129 IonicContact NE-OD1 3.28Å; R1071-D1129 PolarHBondContact NE-OD1 3.1Å; R1071-D1129 IonicContact NE-OD2 2.7Å; R1071-D1129 PolarHBondContact NE-OD2 2.72Å; R1071-D1129 IonicContact NH2-OD1 2.75Å; R1071-D1129 PolarHBondContact NH2-OD1 3.02Å; R1071-D1129 IonicContact NH2-OD2 2.89Å
1072	V	94.9	Very high	70.8	Confident	0 Å²	0	103 Å²	103	0%	0	53%	0.529	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	145.9	178.7	-53	0	0	0	0	108.9	V1093 I1094 V1096 W1105 F1119 V1124 H1125 I1126	V1072-V1093 CarbonylContact O-C 3.6Å; V1072-V1093 WeakPolarHBondContact O-CA 3.33Å; V1072-V1093 WeakPolarHBondContact O-CG1 2.99Å; V1072-I1094 HydrophobicContact CG2-CB 3.74Å; V1072-I1094 HydrophobicContact CG2-CG2 4.32Å; V1072-I1094 PolarHBondContact N-O 3.5Å; V1072-I1094 PolarHBondContact O-N 2.84Å; V1072-V1096 HydrophobicContact CB-CG2 4.46Å; V1072-V1096 HydrophobicContact CG1-CG2 3.55Å; V1072-V1096 HydrophobicContact CG2-CG2 4.07Å; V1072-W1105 HydrophobicContact CG1-CE3 4.37Å; V1072-W1105 HydrophobicContact CG1-CZ3 3.92Å; V1072-F1119 HydrophobicContact CG2-CE2 4.17Å; V1072-F1119 HydrophobicContact CG2-CZ 4.19Å; V1072-V1124 HydrophobicContact CB-CB 3.9Å; V1072-V1124 HydrophobicContact CB-CG2 3.99Å; V1072-V1124 HydrophobicContact CG1-CG2 4.34Å; V1072-V1124 HydrophobicContact CG2-CB 3.75Å; V1072-V1124 HydrophobicContact CG2-CG1 3.83Å; V1072-V1124 HydrophobicContact CG2-CG2 3.91Å; V1072-H1125 CarbonylContact C-O 3.5Å; V1072-H1125 VanDerWaalsContact CA-O 3.31Å; V1072-H1125 WeakPolarHBondContact CA-O 3.48Å; V1072-I1126 HydrophobicContact CG1-CB 4.48Å; V1072-I1126 HydrophobicContact CG1-CG1 4.27Å
1073	K	94.8	Very high	73.2	Confident	94 Å²	94	104.1 Å²	104.1	41%	0.409	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	132.1	176.8	-176.6	171.8	179.2	172.4	0	109.7	G1091 E1092 V1124 H1125 L1127	K1073-G1091 VanDerWaalsContact CE-O 3.29Å; K1073-G1091 WeakPolarHBondContact CE-O 3.22Å; K1073-E1092 CarbonylContact C-O 3.54Å; K1073-E1092 WeakPolarHBondContact CA-O 3.47Å; K1073-V1124 CarbonylContact O-C 3.6Å; K1073-V1124 WeakPolarHBondContact O-CA 3.46Å; K1073-H1125 PolarHBondContact N-O 3.06Å; K1073-H1125 PolarHBondContact O-N 2.69Å; K1073-L1127 HydrophobicContact CB-CD1 4.2Å; K1073-L1127 HydrophobicContact CB-CD2 3.9Å; K1073-L1127 HydrophobicContact CB-CG 4.07Å
1074	T	93.3	Very high	76	Confident	2 Å²	2	101.8 Å²	101.8	1%	0.012	52%	0.524	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	139.1	177.8	60.2	0	0	0	0	109.9	F1088 I1089 G1091 E1092 I1094 V1124	T1074-F1088 HydrophobicContact CG2-CB 4.06Å; T1074-F1088 HydrophobicContact CG2-CD1 4.37Å; T1074-F1088 HydrophobicContact CG2-CD2 3.18Å; T1074-F1088 HydrophobicContact CG2-CE2 3.58Å; T1074-F1088 HydrophobicContact CG2-CG 3.62Å; T1074-F1088 HydrophobicContact CG2-CZ 4.35Å; T1074-I1089 PolarHBondContact OG1-O 3.05Å; T1074-G1091 PolarHBondContact O-N 2.93Å; T1074-G1091 PolarHBondContact OG1-N 3.49Å; T1074-E1092 HydrophobicContact CG2-CB 4.46Å; T1074-E1092 PolarHBondContact N-O 2.75Å; T1074-E1092 PolarHBondContact OG1-N 3.09Å; T1074-E1092 PolarHBondContact OG1-O 2.87Å; T1074-E1092 VanDerWaalsContact OG1-O 3.12Å; T1074-I1094 HydrophobicContact CG2-CD1 3.53Å; T1074-I1094 HydrophobicContact CG2-CG1 4.04Å; T1074-V1124 HydrophobicContact CG2-CG1 4.3Å
1075	I	92.3	Very high	78.7	Confident	63 Å²	63	96.7 Å²	96.7	32%	0.323	49%	0.49	S	S	.	.			trans	-116.5	0.7	-178.8	57.2	162.1	0	0	0	113.6	F1123 H1125	I1075-F1123 VanDerWaalsContact CG1-O 3.26Å; I1075-F1123 WeakPolarHBondContact CG1-O 3.34Å; I1075-F1123 PolarHBondContact N-O 2.83Å; I1075-H1125 HydrophobicContact CG2-CB 3.83Å
1076	Y	87.5	Confident	81.6	Confident	128 Å²	128	93.6 Å²	93.6	50%	0.502	46%	0.457	S	S	.	.	S	Bend	trans	-145.8	162.9	169.2	-52.7	-66.1	0	0	0	109.1	F1088 F1123	Y1076-F1088 WeakPolarHBondContact O-CE2 3.45Å; Y1076-F1123 HydrophobicContact CD2-CB 4.45Å; Y1076-F1123 HydrophobicContact CD2-CD1 4Å; Y1076-F1123 HydrophobicContact CD2-CE1 4.4Å; Y1076-F1123 HydrophobicContact CD2-CG 4.08Å; Y1076-F1123 HydrophobicContact CG-CD1 4.42Å
1077	D	87.7	Confident	84.2	Confident	110 Å²	110	86.3 Å²	86.3	59%	0.588	43%	0.431	S	S	*	.			trans	-68.9	141.3	161	-62.5	-30.4	0	0	0	110.1	I1089 E1090	D1077-I1089 WeakPolarHBondContact OD1-CA 3.49Å; D1077-I1089 WeakPolarHBondContact OD1-CB 3.41Å; D1077-E1090 PolarHBondContact OD1-N 3.38Å
1078	C	87.1	Confident	86.8	Confident	24 Å²	24	79 Å²	79	16%	0.162	39%	0.391	C	S	.	.	B	Isolated β-bridge	trans	-136.6	120	173.4	-175.8	0	0	0	0	109.1	T1087 F1088 F1123	C1078-T1087 CarbonylContact O-C 3.59Å; C1078-T1087 WeakPolarHBondContact O-CA 3.36Å; C1078-F1088 HydrophobicContact CB-CD1 3.99Å; C1078-F1088 HydrophobicContact CB-CD2 3.77Å; C1078-F1088 HydrophobicContact CB-CE1 3.54Å; C1078-F1088 HydrophobicContact CB-CE2 3.34Å; C1078-F1088 HydrophobicContact CB-CG 4.1Å; C1078-F1088 HydrophobicContact CB-CZ 3.21Å; C1078-F1088 PolarHBondContact N-O 3.2Å; C1078-F1088 PolarHBondContact O-N 3.32Å; C1078-F1123 HydrophobicContact CB-CD1 4.02Å; C1078-F1123 HydrophobicContact CB-CE1 4.32Å
1079	Q	88.3	Confident	88.5	Confident	166 Å²	166	76.5 Å²	76.5	78%	0.776	39%	0.385	S	S	*	.			trans	-100.4	130.4	169	-176.5	171.8	-15.6	0	0	107.7
1080	A	86.9	Confident	89.4	Confident	23 Å²	23	79.1 Å²	79.1	19%	0.19	39%	0.391	C	S	.	.			trans	-68.1	133.5	177.5	0	0	0	0	0	110.9	E1085 T1087	A1080-E1085 HydrophobicContact CB-CB 3.6Å; A1080-E1085 WeakPolarHBondContact CB-O 3.36Å; A1080-T1087 WeakPolarHBondContact CB-OG1 3.46Å; A1080-T1087 PolarHBondContact N-OG1 2.85Å
1081	D	78.4	Confident	89.4	Confident	153 Å²	153	75.7 Å²	75.7	82%	0.818	39%	0.388	S	S	*	.	S	Bend	trans	-89.1	-21.2	169	-77.8	-35.1	0	0	0	111.2	E1085	D1081-E1085 PolarHBondContact N-OE2 3.1Å
1082	N	84.5	Confident	89.4	Confident	90 Å²	90	74 Å²	74	48%	0.481	38%	0.383	S	S	.	.	S	Bend	trans	-125.4	155	179.7	-60.6	-76.1	0	0	0	113.4	D1084 E1085	N1082-D1084 VanDerWaalsContact CB-OD1 3.32Å; N1082-D1084 WeakPolarHBondContact CB-OD1 3.44Å; N1082-D1084 PolarHBondContact O-N 3.49Å; N1082-D1084 VanDerWaalsContact O-N 3.16Å; N1082-E1085 HydrophobicContact CB-CG 4.28Å; N1082-E1085 PolarHBondContact N-OE2 2.76Å; N1082-E1085 PolarHBondContact ND2-OE1 2.91Å; N1082-E1085 PolarHBondContact O-N 3.1Å; N1082-E1085 VanDerWaalsContact O-N 3.16Å
1083	D	79.1	Confident	89.4	Confident	183 Å²	183	75.3 Å²	75.3	98%	0.979	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-15.9	-175.9	-81.2	-27.9	0	0	0	114.7
1084	D	88.6	Confident	89.4	Confident	105 Å²	105	70.9 Å²	70.9	56%	0.561	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	-7.1	178.2	56.2	-33	0	0	0	114.1	N1082 G1117 V1118	N1082-D1084 VanDerWaalsContact CB-OD1 3.32Å; N1082-D1084 WeakPolarHBondContact CB-OD1 3.44Å; N1082-D1084 PolarHBondContact O-N 3.49Å; N1082-D1084 VanDerWaalsContact O-N 3.16Å; D1084-G1117 CarbonylContact O-C 3.59Å; D1084-G1117 WeakPolarHBondContact O-CA 3.22Å; D1084-V1118 PolarHBondContact O-N 3.1Å
1085	E	91.6	Very high	89.5	Confident	40 Å²	40	72.3 Å²	72.3	19%	0.187	38%	0.379	C	S	.	.	B	Isolated β-bridge	trans	-84.1	146.7	174.5	-73.9	165.5	-161.8	0	0	112.3	A1080 D1081 N1082 W1104 V1118	A1080-E1085 HydrophobicContact CB-CB 3.6Å; A1080-E1085 WeakPolarHBondContact CB-O 3.36Å; D1081-E1085 PolarHBondContact N-OE2 3.1Å; N1082-E1085 HydrophobicContact CB-CG 4.28Å; N1082-E1085 PolarHBondContact N-OE2 2.76Å; N1082-E1085 PolarHBondContact ND2-OE1 2.91Å; N1082-E1085 PolarHBondContact O-N 3.1Å; N1082-E1085 VanDerWaalsContact O-N 3.16Å; E1085-W1104 HydrophobicContact CG-CZ3 4.31Å; E1085-V1118 WeakPolarHBondContact CA-O 3.33Å; E1085-V1118 HydrophobicContact CB-CG2 4.37Å; E1085-V1118 HydrophobicContact CG-CG2 3.76Å
1086	L	91.4	Very high	89.5	Confident	5 Å²	5	70.2 Å²	70.2	3%	0.026	37%	0.369	C	S	.	.			trans	-89	112.4	-179.6	-176.5	56.1	0	0	0	111.6	F1088 I1094 I1109 R1115 V1118 F1119	L1086-F1088 HydrophobicContact CB-CD1 4.41Å; L1086-F1088 HydrophobicContact CD2-CD1 4.48Å; L1086-F1088 HydrophobicContact CG-CD1 4.09Å; L1086-F1088 WeakPolarHBondContact O-CD1 3.19Å; L1086-F1088 WeakPolarHBondContact O-CE1 3.33Å; L1086-I1094 HydrophobicContact CD2-CD1 3.89Å; L1086-I1094 HydrophobicContact CD2-CG1 4.03Å; L1086-I1094 HydrophobicContact CD2-CG2 4.23Å; L1086-I1109 HydrophobicContact CD1-CG1 4.33Å; L1086-I1109 HydrophobicContact CD2-CD1 4.43Å; L1086-I1109 HydrophobicContact CD2-CG1 4.45Å; L1086-R1115 VanDerWaalsContact CD1-C 3.41Å; L1086-R1115 HydrophobicContact CD1-CB 4.09Å; L1086-R1115 WeakPolarHBondContact CD1-O 3.47Å; L1086-V1118 PolarHBondContact N-O 2.71Å; L1086-F1119 HydrophobicContact CB-CB 4.42Å; L1086-F1119 HydrophobicContact CD2-CD1 4.23Å
1087	T	92.1	Very high	89.7	Confident	65 Å²	65	68.4 Å²	68.4	40%	0.399	37%	0.372	S	S	.	.			trans	-74.8	126.6	166.9	-66.5	0	0	0	0	111.3	C1078 A1080 R1115	C1078-T1087 CarbonylContact O-C 3.59Å; C1078-T1087 WeakPolarHBondContact O-CA 3.36Å; A1080-T1087 WeakPolarHBondContact CB-OG1 3.46Å; A1080-T1087 PolarHBondContact N-OG1 2.85Å; T1087-R1115 PolarHBondContact O-NH2 3.4Å
1088	F	94.1	Very high	89.7	Confident	1 Å²	1	64.3 Å²	64.3	0%	0.004	36%	0.355	C	S	.	.	B	Isolated β-bridge	trans	-147.9	158	179.2	57.2	-99.7	0	0	0	113.3	T1074 Y1076 C1078 L1086 E1092 I1094 I1109 F1119 F1123	T1074-F1088 HydrophobicContact CG2-CB 4.06Å; T1074-F1088 HydrophobicContact CG2-CD1 4.37Å; T1074-F1088 HydrophobicContact CG2-CD2 3.18Å; T1074-F1088 HydrophobicContact CG2-CE2 3.58Å; T1074-F1088 HydrophobicContact CG2-CG 3.62Å; T1074-F1088 HydrophobicContact CG2-CZ 4.35Å; Y1076-F1088 WeakPolarHBondContact O-CE2 3.45Å; C1078-F1088 HydrophobicContact CB-CD1 3.99Å; C1078-F1088 HydrophobicContact CB-CD2 3.77Å; C1078-F1088 HydrophobicContact CB-CE1 3.54Å; C1078-F1088 HydrophobicContact CB-CE2 3.34Å; C1078-F1088 HydrophobicContact CB-CG 4.1Å; C1078-F1088 HydrophobicContact CB-CZ 3.21Å; C1078-F1088 PolarHBondContact N-O 3.2Å; C1078-F1088 PolarHBondContact O-N 3.32Å; L1086-F1088 HydrophobicContact CB-CD1 4.41Å; L1086-F1088 HydrophobicContact CD2-CD1 4.48Å; L1086-F1088 HydrophobicContact CG-CD1 4.09Å; L1086-F1088 WeakPolarHBondContact O-CD1 3.19Å; L1086-F1088 WeakPolarHBondContact O-CE1 3.33Å; F1088-E1092 WeakPolarHBondContact CA-OE2 3.49Å; F1088-I1094 HydrophobicContact CD1-CD1 3.9Å; F1088-I1094 HydrophobicContact CE1-CD1 4.18Å; F1088-I1094 HydrophobicContact CG-CD1 4.24Å; F1088-I1109 HydrophobicContact CB-CD1 3.86Å; F1088-F1119 HydrophobicContact CE1-CB 3.66Å; F1088-F1119 HydrophobicContact CE1-CG 4.46Å; F1088-F1119 HydrophobicContact CZ-CB 4.39Å; F1088-F1123 HydrophobicContact CE2-CB 4.15Å; F1088-F1123 HydrophobicContact CE2-CD1 4.38Å; F1088-F1123 HydrophobicContact CZ-CB 3.83Å; F1088-F1123 HydrophobicContact CZ-CD1 4.31Å; F1088-F1123 HydrophobicContact CZ-CG 4.47Å
1089	I	91.2	Very high	89.8	Confident	103 Å²	103	68.4 Å²	68.4	53%	0.528	37%	0.372	S	S	.	.			trans	-107.8	159.7	174.4	63.8	175.5	0	0	0	111.9	T1074 D1077 G1091 E1092	T1074-I1089 PolarHBondContact OG1-O 3.05Å; D1077-I1089 WeakPolarHBondContact OD1-CA 3.49Å; D1077-I1089 WeakPolarHBondContact OD1-CB 3.41Å; I1089-G1091 PolarHBondContact O-N 3.12Å; I1089-E1092 HydrophobicContact CG1-CG 3.75Å; I1089-E1092 PolarHBondContact N-OE2 2.74Å; I1089-E1092 PolarHBondContact O-N 2.95Å
1090	E	92.1	Very high	89.5	Confident	134 Å²	134	66.5 Å²	66.5	63%	0.626	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	125.2	178.9	-173.7	-174.7	154.7	0	0	111	D1077	D1077-E1090 PolarHBondContact OD1-N 3.38Å
1091	G	87.5	Confident	89.4	Confident	30 Å²	30	69.6 Å²	69.6	31%	0.309	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	94	-3.6	175.2	0	0	0	0	0	116.2	K1073 T1074 I1089	K1073-G1091 VanDerWaalsContact CE-O 3.29Å; K1073-G1091 WeakPolarHBondContact CE-O 3.22Å; T1074-G1091 PolarHBondContact O-N 2.93Å; T1074-G1091 PolarHBondContact OG1-N 3.49Å; I1089-G1091 PolarHBondContact O-N 3.12Å
1092	E	94.2	Very high	89.5	Confident	36 Å²	36	71.2 Å²	71.2	17%	0.168	38%	0.379	C	S	.	.			trans	-62.4	154.9	162.5	-70.5	-171.1	113.7	0	0	111.2	K1073 T1074 F1088 I1089 I1109 R1115	K1073-E1092 CarbonylContact C-O 3.54Å; K1073-E1092 WeakPolarHBondContact CA-O 3.47Å; T1074-E1092 HydrophobicContact CG2-CB 4.46Å; T1074-E1092 PolarHBondContact N-O 2.75Å; T1074-E1092 PolarHBondContact OG1-N 3.09Å; T1074-E1092 PolarHBondContact OG1-O 2.87Å; T1074-E1092 VanDerWaalsContact OG1-O 3.12Å; F1088-E1092 WeakPolarHBondContact CA-OE2 3.49Å; I1089-E1092 HydrophobicContact CG1-CG 3.75Å; I1089-E1092 PolarHBondContact N-OE2 2.74Å; I1089-E1092 PolarHBondContact O-N 2.95Å; E1092-I1109 HydrophobicContact CB-CD1 3.95Å; E1092-R1115 IonicContact OE1-CZ 3.57Å; E1092-R1115 IonicContact OE1-NH1 2.9Å; E1092-R1115 PolarHBondContact OE1-NH1 3.46Å; E1092-R1115 IonicContact OE1-NH2 3.35Å; E1092-R1115 PolarHBondContact OE1-NH2 2.93Å; E1092-R1115 IonicContact OE2-CZ 3.54Å; E1092-R1115 IonicContact OE2-NH1 3.24Å; E1092-R1115 IonicContact OE2-NH2 2.69Å; E1092-R1115 PolarHBondContact OE2-NH2 2.71Å
1093	V	94.5	Very high	89.6	Confident	27 Å²	27	73.9 Å²	73.9	16%	0.164	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	132.3	173.5	179	0	0	0	0	108.3	R1071 V1072 I1109 E1110 L1127	R1071-V1093 HydrophobicContact CB-CG1 4.23Å; V1072-V1093 CarbonylContact O-C 3.6Å; V1072-V1093 WeakPolarHBondContact O-CA 3.33Å; V1072-V1093 WeakPolarHBondContact O-CG1 2.99Å; V1093-I1109 CarbonylContact O-C 3.58Å; V1093-I1109 WeakPolarHBondContact O-CA 3.32Å; V1093-E1110 HydrophobicContact CB-CB 3.91Å; V1093-E1110 HydrophobicContact CG1-CB 4.02Å; V1093-E1110 WeakPolarHBondContact CG1-OE2 3.39Å; V1093-E1110 WeakPolarHBondContact O-CB 3.4Å; V1093-E1110 PolarHBondContact O-N 2.56Å; V1093-L1127 HydrophobicContact CG1-CD1 3.86Å; V1093-L1127 HydrophobicContact CG2-CD1 3.97Å
1094	I	95.2	Very high	90.2	Very high	0 Å²	0	69.2 Å²	69.2	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	134.3	172.7	-62.2	163.4	0	0	0	108.3	V1072 T1074 L1086 F1088 H1108 I1109 F1119 V1124	V1072-I1094 HydrophobicContact CG2-CB 3.74Å; V1072-I1094 HydrophobicContact CG2-CG2 4.32Å; V1072-I1094 PolarHBondContact N-O 3.5Å; V1072-I1094 PolarHBondContact O-N 2.84Å; T1074-I1094 HydrophobicContact CG2-CD1 3.53Å; T1074-I1094 HydrophobicContact CG2-CG1 4.04Å; L1086-I1094 HydrophobicContact CD2-CD1 3.89Å; L1086-I1094 HydrophobicContact CD2-CG1 4.03Å; L1086-I1094 HydrophobicContact CD2-CG2 4.23Å; F1088-I1094 HydrophobicContact CD1-CD1 3.9Å; F1088-I1094 HydrophobicContact CE1-CD1 4.18Å; F1088-I1094 HydrophobicContact CG-CD1 4.24Å; I1094-H1108 CarbonylContact C-O 3.57Å; I1094-H1108 WeakPolarHBondContact CA-O 3.42Å; I1094-I1109 HydrophobicContact CD1-CD1 4.42Å; I1094-I1109 HydrophobicContact CG1-CD1 3.63Å; I1094-F1119 HydrophobicContact CD1-CD1 4.27Å; I1094-F1119 HydrophobicContact CD1-CD2 4.23Å; I1094-F1119 HydrophobicContact CD1-CE1 4.46Å; I1094-F1119 HydrophobicContact CD1-CE2 4.42Å; I1094-F1119 HydrophobicContact CD1-CG 4.17Å; I1094-F1119 HydrophobicContact CG2-CD1 4.23Å; I1094-F1119 HydrophobicContact CG2-CE1 3.57Å; I1094-F1119 HydrophobicContact CG2-CZ 3.82Å; I1094-V1124 HydrophobicContact CD1-CG1 4.14Å
1095	I	94.6	Very high	90.5	Very high	33 Å²	33	65.2 Å²	65.2	17%	0.169	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	119.8	166.6	-74.9	168	0	0	0	107.5	V1069 R1071 T1097 G1107 H1108 E1110	V1069-I1095 HydrophobicContact CG1-CG1 4.45Å; V1069-I1095 HydrophobicContact CG1-CG2 3.57Å; R1071-I1095 HydrophobicContact CG-CG1 4.21Å; I1095-T1097 HydrophobicContact CG2-CG2 4.3Å; I1095-G1107 CarbonylContact O-C 3.58Å; I1095-G1107 WeakPolarHBondContact O-CA 3.28Å; I1095-H1108 PolarHBondContact N-O 3.23Å; I1095-H1108 PolarHBondContact O-N 2.89Å; I1095-E1110 HydrophobicContact CD1-CB 4.31Å; I1095-E1110 HydrophobicContact CD1-CG 4.12Å; I1095-E1110 HydrophobicContact CG1-CB 4.44Å
1096	V	94	Very high	90.6	Very high	18 Å²	18	66 Å²	66	11%	0.109	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	123.4	178.7	-170.3	0	0	0	0	109	R1070 V1072 G1098 W1105 F1119	R1070-V1096 HydrophobicContact CB-CB 4.25Å; R1070-V1096 HydrophobicContact CB-CG2 4.42Å; R1070-V1096 HydrophobicContact CG-CG2 4.31Å; R1070-V1096 WeakPolarHBondContact O-CB 3.48Å; R1070-V1096 WeakPolarHBondContact O-CG2 3.11Å; R1070-V1096 PolarHBondContact O-N 3.2Å; V1072-V1096 HydrophobicContact CB-CG2 4.46Å; V1072-V1096 HydrophobicContact CG1-CG2 3.55Å; V1072-V1096 HydrophobicContact CG2-CG2 4.07Å; V1096-G1098 WeakPolarHBondContact CG1-O 3.3Å; V1096-W1105 HydrophobicContact CG1-CB 4.27Å; V1096-W1105 HydrophobicContact CG1-CD2 4.31Å; V1096-W1105 HydrophobicContact CG1-CE3 4.14Å; V1096-W1105 HydrophobicContact CG1-CG 4.4Å; V1096-W1105 HydrophobicContact CG2-CE3 3.95Å; V1096-W1105 HydrophobicContact CG2-CZ3 4.39Å; V1096-F1119 HydrophobicContact CG2-CZ 4.29Å
1097	T	90.6	Very high	90.8	Very high	91 Å²	91	65.9 Å²	65.9	56%	0.558	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.4	-17.9	-178.8	56.5	0	0	0	0	113.6	I1095 I1106	I1095-T1097 HydrophobicContact CG2-CG2 4.3Å; T1097-I1106 PolarHBondContact N-O 2.94Å; T1097-I1106 PolarHBondContact OG1-O 3.27Å
1098	G	88	Confident	90.9	Very high	23 Å²	23	64.7 Å²	64.7	24%	0.237	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.5	172.1	175.2	0	0	0	0	0	112	V1096 I1106	V1096-G1098 WeakPolarHBondContact CG1-O 3.3Å; G1098-I1106 PolarHBondContact N-O 2.97Å; G1098-I1106 PolarHBondContact O-N 2.98Å
1099	E	89.1	Confident	90.9	Very high	110 Å²	110	64.9 Å²	64.9	51%	0.514	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	125.9	171.7	-53.6	-176.7	-177.1	0	0	105.7	R1070 W1105	R1070-E1099 IonicContact CZ-OE1 3.38Å; R1070-E1099 IonicContact NH1-OE1 3.81Å; R1070-E1099 PolarHBondContact NH1-OE1 2.95Å; R1070-E1099 IonicContact NH2-OE1 3.16Å; R1070-E1099 PolarHBondContact NH2-OE1 2.9Å; E1099-W1105 HydrophobicContact CG-CG 4.21Å
1100	E	82.3	Confident	90.9	Very high	126 Å²	126	63.6 Å²	63.6	59%	0.589	32%	0.321	S	S	*	.	S	Bend	trans	-86.2	-49.9	-179.4	-168	86	-132.9	0	0	108.8	W1104 I1106 V1118	E1100-W1104 HydrophobicContact CB-CB 4.28Å; E1100-W1104 WeakPolarHBondContact CB-O 3.13Å; E1100-W1104 PolarHBondContact N-O 3.26Å; E1100-I1106 HydrophobicContact CB-CD1 4.49Å; E1100-I1106 HydrophobicContact CB-CG1 4.28Å; E1100-I1106 WeakPolarHBondContact OE2-CD1 3.35Å; E1100-I1106 WeakPolarHBondContact OE2-CG1 3.32Å; E1100-V1118 WeakPolarHBondContact OE2-CG1 3.34Å
1101	D	85.6	Confident	90.6	Very high	88 Å²	88	60.6 Å²	60.6	47%	0.471	33%	0.326	S	S	.	.	S	Bend	trans	-144.4	-155.1	168.3	67.1	28.8	0	0	0	111.4	E1103 W1104	D1101-E1103 WeakPolarHBondContact OD1-CA 3.48Å; D1101-E1103 PolarHBondContact OD1-N 3.33Å; D1101-W1104 PolarHBondContact N-O 3.35Å; D1101-W1104 PolarHBondContact OD1-N 2.62Å
1102	Q	79.6	Confident	90.7	Very high	188 Å²	188	63.7 Å²	63.7	88%	0.879	33%	0.333	S	S	*	.	S	Bend	trans	-82.1	-16.5	-179.3	-61.9	-174.4	15.5	0	0	113.9
1103	E	87.3	Confident	90.3	Very high	145 Å²	145	65.3 Å²	65.3	68%	0.678	35%	0.346	S	S	*	.	S	Bend	trans	-113.9	-16.7	-178.1	-58.5	-162.2	143	0	0	112.9	D1101 P1120 V1121	D1101-E1103 WeakPolarHBondContact OD1-CA 3.48Å; D1101-E1103 PolarHBondContact OD1-N 3.33Å; E1103-P1120 CarbonylContact O-C 3.57Å; E1103-P1120 VanDerWaalsContact O-CA 3.32Å; E1103-P1120 WeakPolarHBondContact O-CA 3.48Å; E1103-V1121 WeakPolarHBondContact O-CG2 3.4Å; E1103-V1121 PolarHBondContact O-N 2.89Å
1104	W	91.8	Very high	89.8	Confident	85 Å²	85	71.2 Å²	71.2	32%	0.322	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	130.2	179.7	-66.9	85.2	0	0	0	113.8	E1085 E1100 D1101 V1118 F1119 P1120	E1085-W1104 HydrophobicContact CG-CZ3 4.31Å; E1100-W1104 HydrophobicContact CB-CB 4.28Å; E1100-W1104 WeakPolarHBondContact CB-O 3.13Å; E1100-W1104 PolarHBondContact N-O 3.26Å; D1101-W1104 PolarHBondContact N-O 3.35Å; D1101-W1104 PolarHBondContact OD1-N 2.62Å; W1104-V1118 HydrophobicContact CE3-CB 4.05Å; W1104-V1118 HydrophobicContact CE3-CG2 3.99Å; W1104-V1118 HydrophobicContact CZ3-CG2 4.13Å; W1104-F1119 WeakPolarHBondContact CA-O 3.43Å; W1104-F1119 VanDerWaalsContact CE3-C 3.46Å; W1104-P1120 HydrophobicContact CD2-CB 4.45Å; W1104-P1120 HydrophobicContact CE3-CB 4.44Å; W1104-P1120 HydrophobicContact CH2-CB 4.47Å; W1104-P1120 HydrophobicContact CH2-CG 4.44Å; W1104-P1120 HydrophobicContact CZ2-CB 4.45Å; W1104-P1120 HydrophobicContact CZ3-CB 4.47Å; W1104-P1120 HydrophobicContact CZ3-CG 4.41Å
1105	W	94.7	Very high	89.6	Confident	22 Å²	22	74.8 Å²	74.8	8%	0.083	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	153.9	176.1	-72.5	-5.7	0	0	0	111.9	V1072 V1096 E1099 V1118 F1119 V1121 I1126	V1072-W1105 HydrophobicContact CG1-CE3 4.37Å; V1072-W1105 HydrophobicContact CG1-CZ3 3.92Å; V1096-W1105 HydrophobicContact CG1-CB 4.27Å; V1096-W1105 HydrophobicContact CG1-CD2 4.31Å; V1096-W1105 HydrophobicContact CG1-CE3 4.14Å; V1096-W1105 HydrophobicContact CG1-CG 4.4Å; V1096-W1105 HydrophobicContact CG2-CE3 3.95Å; V1096-W1105 HydrophobicContact CG2-CZ3 4.39Å; E1099-W1105 HydrophobicContact CG-CG 4.21Å; W1105-V1118 CarbonylContact O-C 3.59Å; W1105-V1118 WeakPolarHBondContact O-CA 3.45Å; W1105-F1119 HydrophobicContact CB-CE1 4.03Å; W1105-F1119 HydrophobicContact CB-CE2 3.98Å; W1105-F1119 HydrophobicContact CB-CZ 3.62Å; W1105-F1119 HydrophobicContact CE3-CE2 4.41Å; W1105-F1119 HydrophobicContact CE3-CZ 4.4Å; W1105-F1119 PolarHBondContact N-O 2.73Å; W1105-F1119 WeakPolarHBondContact O-CD1 3.29Å; W1105-F1119 WeakPolarHBondContact O-CE1 3.21Å; W1105-F1119 PolarHBondContact O-N 2.98Å; W1105-V1121 HydrophobicContact CB-CG2 4.25Å; W1105-V1121 HydrophobicContact CD2-CG1 4.43Å; W1105-V1121 HydrophobicContact CD2-CG2 3.52Å; W1105-V1121 HydrophobicContact CE3-CG1 4.47Å; W1105-V1121 HydrophobicContact CE3-CG2 4.17Å; W1105-V1121 HydrophobicContact CG-CG2 3.52Å; W1105-V1121 HydrophobicContact CH2-CG1 4.01Å; W1105-V1121 HydrophobicContact CZ2-CG1 3.96Å; W1105-V1121 HydrophobicContact CZ2-CG2 4.15Å; W1105-V1121 HydrophobicContact CZ3-CG1 4.27Å; W1105-I1126 HydrophobicContact CH2-CD1 3.93Å; W1105-I1126 HydrophobicContact CH2-CG1 4.27Å; W1105-I1126 HydrophobicContact CZ3-CD1 4.44Å; W1105-I1126 HydrophobicContact CZ3-CG1 4.3Å
1106	I	93.3	Very high	89.5	Confident	57 Å²	57	79 Å²	79	29%	0.292	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	128.8	179.5	-52.2	160.8	0	0	0	108.6	T1097 G1098 E1100 V1118	T1097-I1106 PolarHBondContact N-O 2.94Å; T1097-I1106 PolarHBondContact OG1-O 3.27Å; G1098-I1106 PolarHBondContact N-O 2.97Å; G1098-I1106 PolarHBondContact O-N 2.98Å; E1100-I1106 HydrophobicContact CB-CD1 4.49Å; E1100-I1106 HydrophobicContact CB-CG1 4.28Å; E1100-I1106 WeakPolarHBondContact OE2-CD1 3.35Å; E1100-I1106 WeakPolarHBondContact OE2-CG1 3.32Å; I1106-V1118 HydrophobicContact CG1-CG1 4.07Å
1107	G	94.4	Very high	89.5	Confident	1 Å²	1	78.7 Å²	78.7	1%	0.01	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.3	-175.4	-179.8	0	0	0	0	0	114.3	I1095 K1116 G1117	I1095-G1107 CarbonylContact O-C 3.58Å; I1095-G1107 WeakPolarHBondContact O-CA 3.28Å; G1107-K1116 CarbonylContact O-C 3.45Å; G1107-K1116 WeakPolarHBondContact O-CA 3.47Å; G1107-K1116 WeakPolarHBondContact O-CB 3.31Å; G1107-G1117 PolarHBondContact N-O 3.36Å; G1107-G1117 PolarHBondContact O-N 2.95Å
1108	H	94.4	Very high	89.7	Confident	41 Å²	41	75.3 Å²	75.3	19%	0.19	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	156.4	175.3	73.3	76.2	0	0	0	111.8	I1094 I1095 R1115 K1116	I1094-H1108 CarbonylContact C-O 3.57Å; I1094-H1108 WeakPolarHBondContact CA-O 3.42Å; I1095-H1108 PolarHBondContact N-O 3.23Å; I1095-H1108 PolarHBondContact O-N 2.89Å; H1108-R1115 CarbonylContact C-O 3.57Å; H1108-R1115 WeakPolarHBondContact CA-O 3.3Å; H1108-R1115 WeakPolarHBondContact CB-O 3.1Å; H1108-K1116 HydrophobicContact CB-CB 3.67Å
1109	I	94.6	Very high	89.9	Confident	4 Å²	4	74.3 Å²	74.3	2%	0.021	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	137.3	179	-60.8	-71.9	0	0	0	110.4	L1086 F1088 E1092 V1093 I1094 G1111 Q1112 R1115	L1086-I1109 HydrophobicContact CD1-CG1 4.33Å; L1086-I1109 HydrophobicContact CD2-CD1 4.43Å; L1086-I1109 HydrophobicContact CD2-CG1 4.45Å; F1088-I1109 HydrophobicContact CB-CD1 3.86Å; E1092-I1109 HydrophobicContact CB-CD1 3.95Å; V1093-I1109 CarbonylContact O-C 3.58Å; V1093-I1109 WeakPolarHBondContact O-CA 3.32Å; I1094-I1109 HydrophobicContact CD1-CD1 4.42Å; I1094-I1109 HydrophobicContact CG1-CD1 3.63Å; I1109-G1111 PolarHBondContact O-N 3.09Å; I1109-Q1112 HydrophobicContact CB-CB 4.1Å; I1109-Q1112 HydrophobicContact CG2-CB 4.11Å; I1109-Q1112 HydrophobicContact CG2-CG 4.47Å; I1109-Q1112 CarbonylContact O-C 3.6Å; I1109-Q1112 PolarHBondContact O-N 3.43Å; I1109-R1115 HydrophobicContact CB-CB 4.45Å; I1109-R1115 HydrophobicContact CG1-CB 4.14Å; I1109-R1115 PolarHBondContact N-O 2.83Å
1110	E	90.9	Very high	90.1	Very high	77 Å²	77	69.8 Å²	69.8	36%	0.36	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	118.1	178.9	-173.7	166	-118.5	0	0	109.6	R1071 V1093 I1095 Q1112	R1071-E1110 WeakPolarHBondContact CD-OE1 3.49Å; R1071-E1110 IonicContact CZ-OE1 3.65Å; R1071-E1110 IonicContact NE-OE1 2.66Å; R1071-E1110 IonicContact NH1-OE1 2.65Å; R1071-E1110 PolarHBondContact NH1-OE1 3.47Å; R1071-E1110 IonicContact NH1-OE2 2.7Å; R1071-E1110 PolarHBondContact NH1-OE2 2.97Å; V1093-E1110 HydrophobicContact CB-CB 3.91Å; V1093-E1110 HydrophobicContact CG1-CB 4.02Å; V1093-E1110 WeakPolarHBondContact CG1-OE2 3.39Å; V1093-E1110 WeakPolarHBondContact O-CB 3.4Å; V1093-E1110 PolarHBondContact O-N 2.56Å; I1095-E1110 HydrophobicContact CD1-CB 4.31Å; I1095-E1110 HydrophobicContact CD1-CG 4.12Å; I1095-E1110 HydrophobicContact CG1-CB 4.44Å; E1110-Q1112 VanDerWaalsContact C-N 3.33Å
1111	G	86.8	Confident	90.5	Very high	71 Å²	71	65.5 Å²	65.5	73%	0.732	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	84	-7.3	-172.5	0	0	0	0	0	115.7	I1109	I1109-G1111 PolarHBondContact O-N 3.09Å
1112	Q	88.7	Confident	90.8	Very high	95 Å²	95	65.4 Å²	65.4	44%	0.444	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	67.9	177.8	-60.9	-179	27.9	0	0	111.4	I1109 E1110 E1114 R1115	I1109-Q1112 HydrophobicContact CB-CB 4.1Å; I1109-Q1112 HydrophobicContact CG2-CB 4.11Å; I1109-Q1112 HydrophobicContact CG2-CG 4.47Å; I1109-Q1112 CarbonylContact O-C 3.6Å; I1109-Q1112 PolarHBondContact O-N 3.43Å; E1110-Q1112 VanDerWaalsContact C-N 3.33Å; Q1112-E1114 PolarHBondContact O-N 3.12Å; Q1112-E1114 VanDerWaalsContact O-N 3.07Å; Q1112-R1115 PolarHBondContact O-N 2.97Å
1113	P	86.3	Confident	91.4	Very high	69 Å²	69	59.7 Å²	59.7	45%	0.448	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	-11.4	-171.4	28.8	-37.1	0	0	0	115.5
1114	E	83.8	Confident	91.7	Very high	151 Å²	151	53.5 Å²	53.5	71%	0.706	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.1	-21.8	172.8	-54.7	-52.4	160	0	0	113.3	Q1112 K1116	Q1112-E1114 PolarHBondContact O-N 3.12Å; Q1112-E1114 VanDerWaalsContact O-N 3.07Å; E1114-K1116 PolarHBondContact O-N 3.48Å; E1114-K1116 IonicContact OE2-NZ 3.99Å; E1114-K1116 PolarHBondContact OE2-NZ 2.69Å
1115	R	91.8	Very high	91.7	Very high	76 Å²	76	55.3 Å²	55.3	29%	0.287	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	89.4	165.1	-78.7	174.4	62.1	-144.2	-1.8	108.1	L1086 T1087 E1092 H1108 I1109 Q1112	L1086-R1115 VanDerWaalsContact CD1-C 3.41Å; L1086-R1115 HydrophobicContact CD1-CB 4.09Å; L1086-R1115 WeakPolarHBondContact CD1-O 3.47Å; T1087-R1115 PolarHBondContact O-NH2 3.4Å; E1092-R1115 IonicContact OE1-CZ 3.57Å; E1092-R1115 IonicContact OE1-NH1 2.9Å; E1092-R1115 PolarHBondContact OE1-NH1 3.46Å; E1092-R1115 IonicContact OE1-NH2 3.35Å; E1092-R1115 PolarHBondContact OE1-NH2 2.93Å; E1092-R1115 IonicContact OE2-CZ 3.54Å; E1092-R1115 IonicContact OE2-NH1 3.24Å; E1092-R1115 IonicContact OE2-NH2 2.69Å; E1092-R1115 PolarHBondContact OE2-NH2 2.71Å; H1108-R1115 CarbonylContact C-O 3.57Å; H1108-R1115 WeakPolarHBondContact CA-O 3.3Å; H1108-R1115 WeakPolarHBondContact CB-O 3.1Å; I1109-R1115 HydrophobicContact CB-CB 4.45Å; I1109-R1115 HydrophobicContact CG1-CB 4.14Å; I1109-R1115 PolarHBondContact N-O 2.83Å; Q1112-R1115 PolarHBondContact O-N 2.97Å
1116	K	92.4	Very high	91.5	Very high	121 Å²	121	58.3 Å²	58.3	53%	0.526	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	147.6	-178.2	65.7	-169.6	167.8	-118.5	0	110.6	G1107 H1108 E1114	G1107-K1116 CarbonylContact O-C 3.45Å; G1107-K1116 WeakPolarHBondContact O-CA 3.47Å; G1107-K1116 WeakPolarHBondContact O-CB 3.31Å; H1108-K1116 HydrophobicContact CB-CB 3.67Å; E1114-K1116 PolarHBondContact O-N 3.48Å; E1114-K1116 IonicContact OE2-NZ 3.99Å; E1114-K1116 PolarHBondContact OE2-NZ 2.69Å
1117	G	92.4	Very high	91.2	Very high	11 Å²	11	58.1 Å²	58.1	11%	0.113	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.8	-175.8	-179.1	0	0	0	0	0	112.2	D1084 G1107	D1084-G1117 CarbonylContact O-C 3.59Å; D1084-G1117 WeakPolarHBondContact O-CA 3.22Å; G1107-G1117 PolarHBondContact N-O 3.36Å; G1107-G1117 PolarHBondContact O-N 2.95Å
1118	V	94.7	Very high	90.2	Very high	21 Å²	21	64.1 Å²	64.1	13%	0.127	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	147.7	167.9	-63.6	0	0	0	0	110.8	D1084 E1085 L1086 E1100 W1104 W1105 I1106	D1084-V1118 PolarHBondContact O-N 3.1Å; E1085-V1118 WeakPolarHBondContact CA-O 3.33Å; E1085-V1118 HydrophobicContact CB-CG2 4.37Å; E1085-V1118 HydrophobicContact CG-CG2 3.76Å; L1086-V1118 PolarHBondContact N-O 2.71Å; E1100-V1118 WeakPolarHBondContact OE2-CG1 3.34Å; W1104-V1118 HydrophobicContact CE3-CB 4.05Å; W1104-V1118 HydrophobicContact CE3-CG2 3.99Å; W1104-V1118 HydrophobicContact CZ3-CG2 4.13Å; W1105-V1118 CarbonylContact O-C 3.59Å; W1105-V1118 WeakPolarHBondContact O-CA 3.45Å; I1106-V1118 HydrophobicContact CG1-CG1 4.07Å
1119	F	93.6	Very high	88.3	Confident	1 Å²	1	66.7 Å²	66.7	0%	0.004	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	149.2	173.4	62.2	-85.4	0	0	0	111.4	V1072 L1086 F1088 I1094 V1096 W1104 W1105 V1124	V1072-F1119 HydrophobicContact CG2-CE2 4.17Å; V1072-F1119 HydrophobicContact CG2-CZ 4.19Å; L1086-F1119 HydrophobicContact CB-CB 4.42Å; L1086-F1119 HydrophobicContact CD2-CD1 4.23Å; F1088-F1119 HydrophobicContact CE1-CB 3.66Å; F1088-F1119 HydrophobicContact CE1-CG 4.46Å; F1088-F1119 HydrophobicContact CZ-CB 4.39Å; I1094-F1119 HydrophobicContact CD1-CD1 4.27Å; I1094-F1119 HydrophobicContact CD1-CD2 4.23Å; I1094-F1119 HydrophobicContact CD1-CE1 4.46Å; I1094-F1119 HydrophobicContact CD1-CE2 4.42Å; I1094-F1119 HydrophobicContact CD1-CG 4.17Å; I1094-F1119 HydrophobicContact CG2-CD1 4.23Å; I1094-F1119 HydrophobicContact CG2-CE1 3.57Å; I1094-F1119 HydrophobicContact CG2-CZ 3.82Å; V1096-F1119 HydrophobicContact CG2-CZ 4.29Å; W1104-F1119 WeakPolarHBondContact CA-O 3.43Å; W1104-F1119 VanDerWaalsContact CE3-C 3.46Å; W1105-F1119 HydrophobicContact CB-CE1 4.03Å; W1105-F1119 HydrophobicContact CB-CE2 3.98Å; W1105-F1119 HydrophobicContact CB-CZ 3.62Å; W1105-F1119 HydrophobicContact CE3-CE2 4.41Å; W1105-F1119 HydrophobicContact CE3-CZ 4.4Å; W1105-F1119 PolarHBondContact N-O 2.73Å; W1105-F1119 WeakPolarHBondContact O-CD1 3.29Å; W1105-F1119 WeakPolarHBondContact O-CE1 3.21Å; W1105-F1119 PolarHBondContact O-N 2.98Å; F1119-V1124 HydrophobicContact CD2-CG1 3.77Å; F1119-V1124 HydrophobicContact CD2-CG2 4.42Å; F1119-V1124 HydrophobicContact CE2-CB 4.42Å; F1119-V1124 HydrophobicContact CE2-CG1 3.72Å; F1119-V1124 HydrophobicContact CE2-CG2 3.85Å
1120	P	92.6	Very high	88	Confident	16 Å²	16	69.9 Å²	69.9	10%	0.104	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	132.7	-179.6	28.6	-33.2	0	0	0	111.5	E1103 W1104 S1122 F1123	E1103-P1120 CarbonylContact O-C 3.57Å; E1103-P1120 VanDerWaalsContact O-CA 3.32Å; E1103-P1120 WeakPolarHBondContact O-CA 3.48Å; W1104-P1120 HydrophobicContact CD2-CB 4.45Å; W1104-P1120 HydrophobicContact CE3-CB 4.44Å; W1104-P1120 HydrophobicContact CH2-CB 4.47Å; W1104-P1120 HydrophobicContact CH2-CG 4.44Å; W1104-P1120 HydrophobicContact CZ2-CB 4.45Å; W1104-P1120 HydrophobicContact CZ3-CB 4.47Å; W1104-P1120 HydrophobicContact CZ3-CG 4.41Å; P1120-S1122 PolarHBondContact O-N 3.08Å; P1120-S1122 VanDerWaalsContact O-N 3.16Å; P1120-F1123 HydrophobicContact CB-CD2 4.12Å; P1120-F1123 HydrophobicContact CG-CB 4.09Å; P1120-F1123 HydrophobicContact CG-CD2 3.48Å; P1120-F1123 VanDerWaalsContact CG-CD2 3.48Å; P1120-F1123 HydrophobicContact CG-CE2 4.02Å; P1120-F1123 HydrophobicContact CG-CG 3.82Å; P1120-F1123 PolarHBondContact O-N 3.09Å
1121	V	91.7	Very high	87.8	Confident	36 Å²	36	69.5 Å²	69.5	22%	0.218	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-60	-28.7	-178.9	-178.7	0	0	0	0	111.9	E1103 W1105 F1123 V1124	E1103-V1121 WeakPolarHBondContact O-CG2 3.4Å; E1103-V1121 PolarHBondContact O-N 2.89Å; W1105-V1121 HydrophobicContact CB-CG2 4.25Å; W1105-V1121 HydrophobicContact CD2-CG1 4.43Å; W1105-V1121 HydrophobicContact CD2-CG2 3.52Å; W1105-V1121 HydrophobicContact CE3-CG1 4.47Å; W1105-V1121 HydrophobicContact CE3-CG2 4.17Å; W1105-V1121 HydrophobicContact CG-CG2 3.52Å; W1105-V1121 HydrophobicContact CH2-CG1 4.01Å; W1105-V1121 HydrophobicContact CZ2-CG1 3.96Å; W1105-V1121 HydrophobicContact CZ2-CG2 4.15Å; W1105-V1121 HydrophobicContact CZ3-CG1 4.27Å; V1121-F1123 PolarHBondContact O-N 3.39Å; V1121-V1124 WeakPolarHBondContact O-CG2 3.4Å; V1121-V1124 PolarHBondContact O-N 2.9Å
1122	S	92	Very high	87.9	Confident	85 Å²	85	69.4 Å²	69.4	59%	0.594	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-68.5	-13.6	177.3	54.6	0	0	0	0	114.6	P1120	P1120-S1122 PolarHBondContact O-N 3.08Å; P1120-S1122 VanDerWaalsContact O-N 3.16Å
1123	F	91.8	Very high	87.8	Confident	68 Å²	68	67.9 Å²	67.9	30%	0.298	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-96.6	2.7	178.1	-79.5	-123.6	0	0	0	113.4	I1075 Y1076 C1078 F1088 P1120 V1121	I1075-F1123 VanDerWaalsContact CG1-O 3.26Å; I1075-F1123 WeakPolarHBondContact CG1-O 3.34Å; I1075-F1123 PolarHBondContact N-O 2.83Å; Y1076-F1123 HydrophobicContact CD2-CB 4.45Å; Y1076-F1123 HydrophobicContact CD2-CD1 4Å; Y1076-F1123 HydrophobicContact CD2-CE1 4.4Å; Y1076-F1123 HydrophobicContact CD2-CG 4.08Å; Y1076-F1123 HydrophobicContact CG-CD1 4.42Å; C1078-F1123 HydrophobicContact CB-CD1 4.02Å; C1078-F1123 HydrophobicContact CB-CE1 4.32Å; F1088-F1123 HydrophobicContact CE2-CB 4.15Å; F1088-F1123 HydrophobicContact CE2-CD1 4.38Å; F1088-F1123 HydrophobicContact CZ-CB 3.83Å; F1088-F1123 HydrophobicContact CZ-CD1 4.31Å; F1088-F1123 HydrophobicContact CZ-CG 4.47Å; P1120-F1123 HydrophobicContact CB-CD2 4.12Å; P1120-F1123 HydrophobicContact CG-CB 4.09Å; P1120-F1123 HydrophobicContact CG-CD2 3.48Å; P1120-F1123 VanDerWaalsContact CG-CD2 3.48Å; P1120-F1123 HydrophobicContact CG-CE2 4.02Å; P1120-F1123 HydrophobicContact CG-CG 3.82Å; P1120-F1123 PolarHBondContact O-N 3.09Å; V1121-F1123 PolarHBondContact O-N 3.39Å
1124	V	92.1	Very high	87.9	Confident	15 Å²	15	67.8 Å²	67.8	9%	0.091	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	156.9	-177.8	-59.1	0	0	0	0	113.4	V1072 K1073 T1074 I1094 F1119 V1121	V1072-V1124 HydrophobicContact CB-CB 3.9Å; V1072-V1124 HydrophobicContact CB-CG2 3.99Å; V1072-V1124 HydrophobicContact CG1-CG2 4.34Å; V1072-V1124 HydrophobicContact CG2-CB 3.75Å; V1072-V1124 HydrophobicContact CG2-CG1 3.83Å; V1072-V1124 HydrophobicContact CG2-CG2 3.91Å; K1073-V1124 CarbonylContact O-C 3.6Å; K1073-V1124 WeakPolarHBondContact O-CA 3.46Å; T1074-V1124 HydrophobicContact CG2-CG1 4.3Å; I1094-V1124 HydrophobicContact CD1-CG1 4.14Å; F1119-V1124 HydrophobicContact CD2-CG1 3.77Å; F1119-V1124 HydrophobicContact CD2-CG2 4.42Å; F1119-V1124 HydrophobicContact CE2-CB 4.42Å; F1119-V1124 HydrophobicContact CE2-CG1 3.72Å; F1119-V1124 HydrophobicContact CE2-CG2 3.85Å; V1121-V1124 WeakPolarHBondContact O-CG2 3.4Å; V1121-V1124 PolarHBondContact O-N 2.9Å
1125	H	92.3	Very high	88.2	Confident	123 Å²	123	62.3 Å²	62.3	57%	0.569	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.8	124.8	172.7	-173.5	72.8	0	0	0	109.8	V1072 K1073 I1075 L1127	V1072-H1125 CarbonylContact C-O 3.5Å; V1072-H1125 VanDerWaalsContact CA-O 3.31Å; V1072-H1125 WeakPolarHBondContact CA-O 3.48Å; K1073-H1125 PolarHBondContact N-O 3.06Å; K1073-H1125 PolarHBondContact O-N 2.69Å; I1075-H1125 HydrophobicContact CG2-CB 3.83Å; H1125-L1127 PolarHBondContact O-N 3.05Å
1126	I	91.3	Very high	87.9	Confident	85 Å²	85	61.3 Å²	61.3	44%	0.436	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	128.5	-177.7	-49.7	175.6	0	0	0	110	R1070 V1072 W1105	R1070-I1126 HydrophobicContact CG-CG2 4.16Å; V1072-I1126 HydrophobicContact CG1-CB 4.48Å; V1072-I1126 HydrophobicContact CG1-CG1 4.27Å; W1105-I1126 HydrophobicContact CH2-CD1 3.93Å; W1105-I1126 HydrophobicContact CH2-CG1 4.27Å; W1105-I1126 HydrophobicContact CZ3-CD1 4.44Å; W1105-I1126 HydrophobicContact CZ3-CG1 4.3Å
1127	L	87.3	Confident	87.6	Confident	53 Å²	53	56.7 Å²	56.7	28%	0.277	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	125.9	173	-64.1	-179.2	0	0	0	109.7	R1071 K1073 V1093 H1125 D1129	R1071-L1127 HydrophobicContact CB-CB 4.23Å; R1071-L1127 HydrophobicContact CB-CD1 4.31Å; R1071-L1127 PolarHBondContact O-N 3.19Å; K1073-L1127 HydrophobicContact CB-CD1 4.2Å; K1073-L1127 HydrophobicContact CB-CD2 3.9Å; K1073-L1127 HydrophobicContact CB-CG 4.07Å; V1093-L1127 HydrophobicContact CG1-CD1 3.86Å; V1093-L1127 HydrophobicContact CG2-CD1 3.97Å; H1125-L1127 PolarHBondContact O-N 3.05Å; L1127-D1129 PolarHBondContact O-N 3.33Å
1128	S	73.1	Confident	87.2	Confident	127 Å²	127	60.5 Å²	60.5	89%	0.888	34%	0.343	S	S	*	.			trans	-80.2	91.8	176	-58.6	0	0	0	0	111.2
1129	D	53.9	Low	86.5	Confident	96 Å²	96	64.1 Å²	64.1	51%	0.513	36%	0.363	S	S	.	.			trans	-73.5	0	161.2	-74.6	2.8	0	0	0	111.5	K1068 R1071 L1127	K1068-D1129 HydrophobicContact CD-CB 4.44Å; K1068-D1129 VanDerWaalsContact CE-OXT 3.31Å; K1068-D1129 WeakPolarHBondContact CE-OXT 3.5Å; K1068-D1129 PolarHBondContact NZ-O 3.41Å; K1068-D1129 PolarHBondContact NZ-OXT 3.23Å; R1071-D1129 IonicContact CZ-OD1 3.48Å; R1071-D1129 IonicContact CZ-OD2 3.69Å; R1071-D1129 IonicContact NE-OD1 3.28Å; R1071-D1129 PolarHBondContact NE-OD1 3.1Å; R1071-D1129 IonicContact NE-OD2 2.7Å; R1071-D1129 PolarHBondContact NE-OD2 2.72Å; R1071-D1129 IonicContact NH2-OD1 2.75Å; R1071-D1129 PolarHBondContact NH2-OD1 3.02Å; R1071-D1129 IonicContact NH2-OD2 2.89Å; L1127-D1129 PolarHBondContact O-N 3.33Å

Retrieved 1,129 of 1,129 residues in 201.2 ms (Link to these results)

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