A0A3Q0KKZ8_SCHMA Loading...

Actin-related protein 5

Actins are highly conserved proteins that are involved in various types of cell motility and are ubiquitously expressed in all eukaryotic cells.

AlphaFold DB (A0A5K4ELJ0), UniProt , Accession A0A3Q0KKZ8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 917 aa.

						>A0A3Q0KKZ8_SCHMA|A0A3Q0KKZ8
MAFLFYEHLNRVPAKKIKFSGACTTIPIVIDNGNYECRAGYSHLEEPHITFPNVVYRPRMSKGVLVGNDIQDLDSVRHSLKSPFVDNLVVNLDVQEQVMSHVFGKLNVQEPLTNPVVINEVLCNPGVCRSQLTELLFETYNVPKLMYYVDCLASYYNFQRSENTDPNANCLLISFGYQRTHIVPIISLCNTDTPLVLNPLIQAARRLHTGGAHASWMIQRLLQLKYPSHSERITAGLAERLAHSYCWLASNYRQEMVEWKSDGFRRSHTVKVQLPFTKPSTEDLKALADRKRAQTERLLSVHRKRQQKQFESTQQRLDNLTKVENLMKQGDSPIVKQILSNLGLSNATDLSHEINACHKIMEKLQIQLNSSKIESTSSIKKIEANSHGNDNQNGNDEKESIYFDSVDESQEDGKFKSSYSYLLEMMNAVYTNSFNTVTNELTGRYKRAAELLISQSLPSAVQTQMSLNTSSSDCKFTEAKLRHRIEMAREIEFINGEDFCLWLNSLRDRRVYVSKKRAQRQSRVDLATQIGLHTNDQFDIGSDPDNFTIQSRSTLGTQPGISANNSGRNGLSSDFTNPGIYRPDDDKYDDSKKVLTERRRMQLEKIRAMAAELKPSRGRSRGNGRGIRPGAASQGSLKPRGRCRSLRTENDSRVSPLETNAVADENDTLGDENSDLLGFDESVEMEQINSSNGLNRLWDPDADENTNEDSSLSIVTKKTNVISDYRTDNTGDESENERDQLAVIDSLLALYDPEASKDLGVTDLRVDLDQFYQIHVDTELMRSHEVLFQPSFMGSSEAGLSDCLEFVLRDTSRLLDSSSEPNFPQRIYLTGGVAALPGLVDRIRCDIRPLLPVGPKWDNIEVIVAANPHLDAWHGARHFANSSYAEQYYTTKQMYEEYGPYYFKDHPLGNRYWINTN
					

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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	27.9	Very low	33.7	Very low	214 Å²	214	125.7 Å²	125.7	100%	1.054	63%	0.63	S	S	*	*				0	158.5	0	-57.4	179.9	-166.9	0	0	108.3	F3	M1-F3 VanDerWaalsContact C-N 3.32Å; M1-F3 HydrophobicContact CB-CD2 4.22Å; M1-F3 HydrophobicContact CB-CE2 3.99Å; M1-F3 PolarHBondContact O-N 3.14Å
2	A	24.3	Very low	34.2	Very low	104 Å²	104	121.5 Å²	121.5	86%	0.86	62%	0.616	S	S	*	*			trans	-80.3	80.7	174.3	0	0	0	0	0	110.1
3	F	29.1	Very low	34.5	Very low	118 Å²	118	120.8 Å²	120.8	52%	0.518	63%	0.625	S	S	.	*			trans	-66.3	136.1	167.1	-75.1	-87.1	0	0	0	108.9	M1 F5	M1-F3 VanDerWaalsContact C-N 3.32Å; M1-F3 HydrophobicContact CB-CD2 4.22Å; M1-F3 HydrophobicContact CB-CE2 3.99Å; M1-F3 PolarHBondContact O-N 3.14Å; F3-F5 PolarHBondContact O-N 3.31Å
4	L	30	Very low	35.2	Very low	172 Å²	172	115.4 Å²	115.4	90%	0.901	61%	0.606	S	S	*	*			trans	-60	119.7	-179.9	-78.4	161.3	0	0	0	109.4	Y6	L4-Y6 PolarHBondContact O-N 2.99Å; L4-Y6 VanDerWaalsContact O-N 3.08Å
5	F	31.7	Very low	35.9	Very low	152 Å²	152	116.5 Å²	116.5	67%	0.667	60%	0.604	S	S	*	*			trans	-64.4	113	-171	-87.7	-109.1	0	0	0	111	F3 E7	F3-F5 PolarHBondContact O-N 3.31Å; F5-E7 HydrophobicContact CB-CB 4.47Å; F5-E7 HydrophobicContact CB-CG 4.34Å; F5-E7 HydrophobicContact CD1-CG 4.1Å; F5-E7 PolarHBondContact O-N 2.99Å
6	Y	35.9	Very low	36.3	Very low	72 Å²	72	122.4 Å²	122.4	28%	0.282	62%	0.624	S	S	.	*	G	3₁₀ helix	trans	-66.5	8.9	175.3	-137.8	-103	0	0	0	113.5	L4 H8 L9 R240 H243	L4-Y6 PolarHBondContact O-N 2.99Å; L4-Y6 VanDerWaalsContact O-N 3.08Å; Y6-H8 PolarHBondContact O-N 2.79Å; Y6-L9 HydrophobicContact CD1-CB 3.71Å; Y6-L9 HydrophobicContact CD1-CD1 4.17Å; Y6-L9 HydrophobicContact CE1-CB 3.63Å; Y6-L9 HydrophobicContact CE1-CD1 3.47Å; Y6-L9 VanDerWaalsContact CE1-CD1 3.47Å; Y6-L9 HydrophobicContact CE1-CG 4.17Å; Y6-L9 HydrophobicContact CE2-CD1 3.87Å; Y6-L9 PolarHBondContact O-N 3.05Å; Y6-L9 VanDerWaalsContact OH-CD1 3.32Å; Y6-L9 WeakPolarHBondContact OH-CD1 3.22Å; Y6-R240 HydrophobicContact CD1-CG 4.12Å; Y6-R240 HydrophobicContact CE1-CG 4.2Å; Y6-H243 HydrophobicContact CE2-CB 3.95Å; Y6-H243 AromaticContact CZ-ND1 3.78Å; Y6-H243 PolarHBondContact OH-ND1 3.49Å
7	E	33.7	Very low	37	Very low	130 Å²	130	120.3 Å²	120.3	61%	0.607	61%	0.613	S	S	*	*	G	3₁₀ helix	trans	-57.9	-25	168.1	-67.3	-173	145.4	0	0	112.4	F5 L9 N10	F5-E7 HydrophobicContact CB-CB 4.47Å; F5-E7 HydrophobicContact CB-CG 4.34Å; F5-E7 HydrophobicContact CD1-CG 4.1Å; F5-E7 PolarHBondContact O-N 2.99Å; E7-L9 PolarHBondContact O-N 2.65Å; E7-N10 WeakPolarHBondContact O-CB 3.48Å; E7-N10 PolarHBondContact O-N 3.28Å; E7-N10 VanDerWaalsContact O-N 3.08Å
8	H	37.2	Very low	37.3	Very low	146 Å²	146	124.8 Å²	124.8	68%	0.676	63%	0.628	S	S	*	*	G	3₁₀ helix	trans	-66.7	-9.9	170.6	-72.1	15.8	0	0	0	113.8	Y6 V12	Y6-H8 PolarHBondContact O-N 2.79Å; H8-V12 HydrophobicContact CB-CG2 4.34Å; H8-V12 WeakPolarHBondContact O-CG2 3.19Å
9	L	37.5	Very low	38.1	Very low	81 Å²	81	121.6 Å²	121.6	42%	0.424	61%	0.609	S	S	.	*	G	3₁₀ helix	trans	-108.7	16.2	171.1	-81.8	160.1	0	0	0	114.1	Y6 E7 R11	Y6-L9 HydrophobicContact CD1-CB 3.71Å; Y6-L9 HydrophobicContact CD1-CD1 4.17Å; Y6-L9 HydrophobicContact CE1-CB 3.63Å; Y6-L9 HydrophobicContact CE1-CD1 3.47Å; Y6-L9 VanDerWaalsContact CE1-CD1 3.47Å; Y6-L9 HydrophobicContact CE1-CG 4.17Å; Y6-L9 HydrophobicContact CE2-CD1 3.87Å; Y6-L9 PolarHBondContact O-N 3.05Å; Y6-L9 VanDerWaalsContact OH-CD1 3.32Å; Y6-L9 WeakPolarHBondContact OH-CD1 3.22Å; E7-L9 PolarHBondContact O-N 2.65Å; L9-R11 PolarHBondContact O-N 3.04Å
10	N	37.5	Very low	38.4	Very low	136 Å²	136	120.9 Å²	120.9	73%	0.727	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.4	61.7	135.4	-77.3	-31.8	0	0	0	109.6	E7 V12	E7-N10 WeakPolarHBondContact O-CB 3.48Å; E7-N10 PolarHBondContact O-N 3.28Å; E7-N10 VanDerWaalsContact O-N 3.08Å; N10-V12 PolarHBondContact O-N 3.24Å; N10-V12 VanDerWaalsContact O-N 3.14Å
11	R	46	Very low	38.9	Very low	58 Å²	58	119.2 Å²	119.2	22%	0.219	63%	0.63	C	S	.	*	T	Hydrogen-bonded Turn	trans	26.5	72.4	170.3	-65.7	171.5	169	-121.2	-29.3	113.3	L9 P13 G67 I70	L9-R11 PolarHBondContact O-N 3.04Å; R11-P13 WeakPolarHBondContact O-CD 3.36Å; R11-G67 PolarHBondContact NH1-O 3.47Å; R11-I70 PolarHBondContact NH1-O 2.74Å
12	V	39.2	Very low	40.2	Very low	75 Å²	75	113 Å²	113	46%	0.455	61%	0.613	S	S	.	*			trans	-47.1	114.6	179.3	167.5	0	0	0	0	108.5	H8 N10 A14	H8-V12 HydrophobicContact CB-CG2 4.34Å; H8-V12 WeakPolarHBondContact O-CG2 3.19Å; N10-V12 PolarHBondContact O-N 3.24Å; N10-V12 VanDerWaalsContact O-N 3.14Å; V12-A14 PolarHBondContact O-N 3.47Å
13	P	38.9	Very low	42.1	Very low	113 Å²	113	109.2 Å²	109.2	73%	0.734	58%	0.579	S	S	*	*			trans	-64.4	116.3	-171.6	23.3	-32.6	0	0	0	107.7	R11 K15	R11-P13 WeakPolarHBondContact O-CD 3.36Å; P13-K15 PolarHBondContact O-N 2.76Å; P13-K15 VanDerWaalsContact O-N 3.13Å
14	A	44.2	Very low	44	Very low	44 Å²	44	107.6 Å²	107.6	36%	0.364	58%	0.579	S	S	.	*			trans	-44	120.4	-167.5	0	0	0	0	0	110.8	V12 K16 I49	V12-A14 PolarHBondContact O-N 3.47Å; A14-K16 PolarHBondContact O-N 3.26Å; A14-I49 HydrophobicContact CB-CG2 4.36Å
15	K	45.3	Very low	46.5	Very low	133 Å²	133	104.5 Å²	104.5	58%	0.578	57%	0.568	S	S	*	*			trans	-51.1	110.8	-169.7	-75.4	173.7	-178.9	160.5	0	108.7	P13 I17 E46	P13-K15 PolarHBondContact O-N 2.76Å; P13-K15 VanDerWaalsContact O-N 3.13Å; K15-I17 HydrophobicContact CB-CD1 4.14Å; K15-I17 HydrophobicContact CB-CG1 4.13Å; K15-I17 PolarHBondContact O-N 2.68Å; K15-E46 IonicContact NZ-OE2 3.3Å
16	K	42.6	Very low	49.3	Very low	211 Å²	211	99.2 Å²	99.2	92%	0.917	55%	0.546	S	S	*	.			trans	-71.9	69.3	179.6	-73.4	-171.4	176.7	-179.2	0	111.3	A14	A14-K16 PolarHBondContact O-N 3.26Å
17	I	48	Very low	52.1	Low	86 Å²	86	96.6 Å²	96.6	44%	0.441	54%	0.538	S	S	.	.			trans	-74.4	122.8	175.1	-65.8	164.4	0	0	0	107.6	K15 F19	K15-I17 HydrophobicContact CB-CD1 4.14Å; K15-I17 HydrophobicContact CB-CG1 4.13Å; K15-I17 PolarHBondContact O-N 2.68Å; I17-F19 PolarHBondContact O-N 3.21Å
18	K	42.6	Very low	55.1	Low	202 Å²	202	90.4 Å²	90.4	88%	0.878	51%	0.509	S	S	*	.			trans	-81.7	112.4	170.7	-70.5	-176	176.9	-177.9	0	108.9
19	F	51.8	Low	58	Low	63 Å²	63	83.5 Å²	83.5	28%	0.276	48%	0.477	S	S	.	.			trans	-73.4	130.9	169.1	-80.5	-77.2	0	0	0	111.6	I17 Y41 L44 H48	I17-F19 PolarHBondContact O-N 3.21Å; F19-Y41 HydrophobicContact CE1-CD2 4.22Å; F19-Y41 HydrophobicContact CE1-CE2 4.25Å; F19-Y41 HydrophobicContact CE2-CD2 4.23Å; F19-Y41 AromaticContact CE2-CE2 3.78Å; F19-Y41 HydrophobicContact CE2-CE2 3.78Å; F19-Y41 AromaticContact CZ-CD2 3.64Å; F19-Y41 HydrophobicContact CZ-CD2 3.64Å; F19-Y41 AromaticContact CZ-CE2 3.62Å; F19-Y41 HydrophobicContact CZ-CE2 3.62Å; F19-L44 HydrophobicContact CZ-CD1 4.07Å; F19-H48 AromaticContact CE2-CE1 3.22Å; F19-H48 WeakPolarHBondContact CE2-CE1 3.46Å; F19-H48 AromaticContact CE2-ND1 3.79Å; F19-H48 AromaticContact CE2-NE2 3.59Å; F19-H48 AromaticContact CZ-CE1 3.58Å; F19-H48 AromaticContact CZ-ND1 3.8Å
20	S	43.9	Very low	60.8	Low	107 Å²	107	79.6 Å²	79.6	75%	0.748	46%	0.456	S	S	*	.			trans	-78.7	123.4	155.1	50.5	0	0	0	0	108.7	A22	S20-A22 PolarHBondContact O-N 2.78Å; S20-A22 VanDerWaalsContact O-N 3.14Å
21	G	50.6	Low	63.7	Low	87 Å²	87	73.3 Å²	73.3	90%	0.897	42%	0.423	S	S	*	.	S	Bend	trans	-67.5	108.6	-169.1	0	0	0	0	0	114.6
22	A	53.9	Low	66.1	Low	84 Å²	84	70.8 Å²	70.8	69%	0.694	41%	0.413	S	S	*	.			trans	-157.1	15.4	166.8	0	0	0	0	0	113.9	S20	S20-A22 PolarHBondContact O-N 2.78Å; S20-A22 VanDerWaalsContact O-N 3.14Å
23	C	64	Low	68.7	Low	24 Å²	24	68 Å²	68	16%	0.162	40%	0.401	C	S	.	.			trans	-94.7	13.3	-167.4	-68.6	0	0	0	0	115.4	T25 I26 Y41 N114	C23-T25 VanDerWaalsContact C-N 3.3Å; C23-T25 PolarHBondContact O-N 3.24Å; C23-T25 VanDerWaalsContact O-N 3.15Å; C23-I26 HydrophobicContact CB-CD1 4.21Å; C23-I26 PolarHBondContact O-N 2.62Å; C23-Y41 HydrophobicContact CB-CE1 4.21Å; C23-N114 PolarHBondContact O-ND2 2.84Å
24	T	69.9	Low	71.3	Confident	83 Å²	83	63.9 Å²	63.9	51%	0.509	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-24.9	-165	47.4	0	0	0	0	115.9	T113 N114	T24-T113 WeakPolarHBondContact CB-OG1 3.42Å; T24-T113 CarbonylContact O-C 3.09Å; T24-T113 WeakPolarHBondContact O-CB 3.43Å; T24-T113 VanDerWaalsContact O-O 3.09Å; T24-T113 PolarHBondContact O-OG1 3.15Å; T24-N114 PolarHBondContact O-N 3.32Å
25	T	82.7	Confident	73.7	Confident	108 Å²	108	64.7 Å²	64.7	66%	0.663	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.1	-4.9	-178.3	54.2	0	0	0	0	114.4	C23 P115	C23-T25 VanDerWaalsContact C-N 3.3Å; C23-T25 PolarHBondContact O-N 3.24Å; C23-T25 VanDerWaalsContact O-N 3.15Å; T25-P115 WeakPolarHBondContact O-CD 3.3Å
26	I	90.8	Very high	75.9	Confident	40 Å²	40	59.4 Å²	59.4	21%	0.205	34%	0.344	C	S	.	.	S	Bend	trans	-80.8	130.6	-172	-51.8	178.1	0	0	0	109.8	C23 I28 S42 H43 N114	C23-I26 HydrophobicContact CB-CD1 4.21Å; C23-I26 PolarHBondContact O-N 2.62Å; I26-I28 PolarHBondContact O-N 3.16Å; I26-S42 WeakPolarHBondContact CG2-OG 3.3Å; I26-H43 WeakPolarHBondContact CD1-ND1 3.34Å; I26-H43 HydrophobicContact CG2-CB 4.24Å; I26-N114 PolarHBondContact O-ND2 3.18Å
27	P	94.6	Very high	78.4	Confident	18 Å²	18	49.4 Å²	49.4	12%	0.117	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-54.2	138.2	176.2	-27.5	34.6	0	0	0	113.7	Y41 S42 P115 V117 A880 Y889	P27-Y41 WeakPolarHBondContact O-CA 3.4Å; P27-S42 PolarHBondContact O-N 3.24Å; P27-S42 PolarHBondContact O-OG 2.86Å; P27-P115 CarbonylContact C-O 3.55Å; P27-P115 WeakPolarHBondContact CA-O 3.48Å; P27-P115 HydrophobicContact CB-CB 4.34Å; P27-P115 HydrophobicContact CG-CB 4.31Å; P27-P115 HydrophobicContact CG-CG 4.31Å; P27-V117 HydrophobicContact CB-CG2 4.4Å; P27-A880 HydrophobicContact CB-CB 4.11Å; P27-A880 HydrophobicContact CG-CB 4.43Å; P27-Y889 WeakPolarHBondContact CG-OH 3.29Å
28	I	95.6	Very high	80.6	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	124	168.8	-62.1	169.8	0	0	0	107.5	I26 I30 Y41 L106 V108 N114 P115 V117	I26-I28 PolarHBondContact O-N 3.16Å; I28-I30 HydrophobicContact CG2-CD1 4.31Å; I28-I30 HydrophobicContact CG2-CG1 3.92Å; I28-Y41 HydrophobicContact CD1-CE1 4.02Å; I28-Y41 HydrophobicContact CG1-CD1 3.74Å; I28-Y41 HydrophobicContact CG1-CE1 3.71Å; I28-L106 HydrophobicContact CD1-CD1 4.45Å; I28-L106 HydrophobicContact CG2-CD1 3.69Å; I28-V108 HydrophobicContact CD1-CG2 3.65Å; I28-N114 HydrophobicContact CD1-CB 3.59Å; I28-N114 HydrophobicContact CG1-CB 3.88Å; I28-P115 PolarHBondContact N-O 3.04Å; I28-V117 PolarHBondContact O-N 2.84Å
29	V	97.7	Very high	83.1	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	121	178.7	-174.3	0	0	0	0	108.7	A39 G40 V117 Y148 W873 A876 R877 A880	V29-A39 VanDerWaalsContact O-CA 3.31Å; V29-A39 WeakPolarHBondContact O-CA 3.21Å; V29-G40 PolarHBondContact N-O 2.84Å; V29-G40 PolarHBondContact O-N 3.46Å; V29-G40 VanDerWaalsContact O-N 3.07Å; V29-V117 CarbonylContact C-O 3.57Å; V29-V117 WeakPolarHBondContact CA-O 3.09Å; V29-V117 HydrophobicContact CG2-CB 4.39Å; V29-Y148 HydrophobicContact CG1-CE1 4.42Å; V29-W873 HydrophobicContact CB-CZ2 4.26Å; V29-W873 HydrophobicContact CG1-CG 4.27Å; V29-W873 PolarHBondContact O-NE1 3.44Å; V29-A876 HydrophobicContact CG1-CB 3.73Å; V29-R877 HydrophobicContact CG2-CB 4.38Å; V29-A880 HydrophobicContact CG2-CB 4.4Å
30	I	97.7	Very high	85.1	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	105	-177.4	-52.6	179.5	0	0	0	109	I28 N32 A39 M99 V102 F103 V116 V117 I118 N119	I28-I30 HydrophobicContact CG2-CD1 4.31Å; I28-I30 HydrophobicContact CG2-CG1 3.92Å; I30-N32 HydrophobicContact CG2-CB 4.29Å; I30-N32 PolarHBondContact O-N 2.88Å; I30-A39 HydrophobicContact CG1-CB 4.22Å; I30-A39 HydrophobicContact CG2-CB 4.47Å; I30-M99 HydrophobicContact CD1-SD 4.28Å; I30-M99 HydrophobicContact CG2-CE 4.2Å; I30-V102 HydrophobicContact CD1-CG1 4.05Å; I30-V102 HydrophobicContact CG1-CG1 4.39Å; I30-F103 HydrophobicContact CD1-CE1 3.94Å; I30-F103 HydrophobicContact CD1-CZ 4.1Å; I30-V116 HydrophobicContact CD1-CG1 3.96Å; I30-V116 HydrophobicContact CG1-CG1 4.5Å; I30-V117 PolarHBondContact N-O 3.47Å; I30-I118 HydrophobicContact CB-CB 4.43Å; I30-I118 HydrophobicContact CB-CD1 4.45Å; I30-I118 HydrophobicContact CB-CG1 4.12Å; I30-I118 HydrophobicContact CG2-CD1 4.27Å; I30-I118 HydrophobicContact CG2-CG1 4.25Å; I30-I118 VanDerWaalsContact O-CA 3.32Å; I30-I118 WeakPolarHBondContact O-CA 3.37Å; I30-N119 PolarHBondContact O-N 3.3Å
31	D	97.1	Very high	87.4	Confident	4 Å²	4	29.6 Å²	29.6	2%	0.021	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	85.3	168.3	-171.3	16.5	0	0	0	108.1	G33 C37 R38 N119 Y148 W873	D31-G33 PolarHBondContact O-N 3.21Å; D31-C37 WeakPolarHBondContact O-CA 3.49Å; D31-R38 HydrophobicContact CB-CB 4.18Å; D31-R38 PolarHBondContact N-O 2.7Å; D31-R38 PolarHBondContact O-N 3.46Å; D31-R38 IonicContact OD2-CZ 3.19Å; D31-R38 IonicContact OD2-NH1 2.86Å; D31-R38 PolarHBondContact OD2-NH1 2.78Å; D31-N119 PolarHBondContact OD1-ND2 2.87Å; D31-Y148 WeakPolarHBondContact CB-OH 3.44Å; D31-W873 HydrophobicContact CB-CB 4.35Å
32	N	96.6	Very high	89.5	Confident	4 Å²	4	25.5 Å²	25.5	2%	0.021	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	72.9	179.1	-169.9	43.7	0	0	0	109.6	I30 N53 F84 Q95 I118 N119	I30-N32 HydrophobicContact CG2-CB 4.29Å; I30-N32 PolarHBondContact O-N 2.88Å; N32-N53 PolarHBondContact OD1-ND2 3.04Å; N32-F84 VanDerWaalsContact O-CZ 3.25Å; N32-F84 WeakPolarHBondContact O-CZ 3.48Å; N32-Q95 PolarHBondContact ND2-NE2 2.99Å; N32-Q95 PolarHBondContact ND2-OE1 2.88Å; N32-Q95 VanDerWaalsContact ND2-OE1 3.1Å; N32-I118 HydrophobicContact CB-CD1 4.41Å; N32-I118 HydrophobicContact CB-CG1 4.4Å; N32-N119 VanDerWaalsContact C-ND2 3.32Å; N32-N119 WeakPolarHBondContact CA-OD1 3.2Å; N32-N119 VanDerWaalsContact CB-OD1 3.26Å; N32-N119 WeakPolarHBondContact CB-OD1 3.2Å; N32-N119 VanDerWaalsContact N-CG 3.25Å; N32-N119 PolarHBondContact N-ND2 3Å; N32-N119 PolarHBondContact N-OD1 3.48Å; N32-N119 PolarHBondContact O-ND2 3.41Å; N32-N119 PolarHBondContact O-OD1 3.43Å
33	G	94.4	Very high	91.2	Very high	18 Å²	18	25.3 Å²	25.3	19%	0.186	14%	0.138	C	C	.	.			trans	-79	149.5	172.6	0	0	0	0	0	111.9	D31 E36 N53	D31-G33 PolarHBondContact O-N 3.21Å; G33-E36 CarbonylContact C-O 3.57Å; G33-E36 VanDerWaalsContact CA-O 3.23Å; G33-E36 WeakPolarHBondContact CA-O 3.49Å; G33-E36 PolarHBondContact N-O 3.39Å; G33-E36 CarbonylContact O-C 3.56Å; G33-E36 VanDerWaalsContact O-O 3.11Å; G33-N53 WeakPolarHBondContact O-CB 3.32Å; G33-N53 PolarHBondContact O-ND2 2.99Å
34	N	94.2	Very high	92.5	Very high	25 Å²	25	26.5 Å²	26.5	13%	0.134	14%	0.143	C	C	.	.	S	Bend	trans	-71.4	-32.6	176.9	-173.9	22.2	0	0	0	113	S82 F84 D86 Q178	N34-S82 PolarHBondContact OD1-OG 3.4Å; N34-F84 HydrophobicContact CB-CB 4.18Å; N34-F84 HydrophobicContact CB-CD1 4.12Å; N34-F84 HydrophobicContact CB-CD2 3.56Å; N34-F84 HydrophobicContact CB-CE1 4.45Å; N34-F84 HydrophobicContact CB-CE2 3.96Å; N34-F84 HydrophobicContact CB-CG 3.67Å; N34-F84 HydrophobicContact CB-CZ 4.39Å; N34-F84 WeakPolarHBondContact OD1-CB 3.19Å; N34-F84 VanDerWaalsContact OD1-CD2 3.27Å; N34-F84 WeakPolarHBondContact OD1-CD2 3.33Å; N34-D86 PolarHBondContact ND2-O 3.14Å; N34-Q178 VanDerWaalsContact ND2-CD 3.25Å; N34-Q178 PolarHBondContact ND2-NE2 2.86Å; N34-Q178 PolarHBondContact ND2-OE1 2.83Å
35	Y	92.6	Very high	93.4	Very high	61 Å²	61	29.7 Å²	29.7	24%	0.239	15%	0.152	C	C	.	.	S	Bend	trans	-69.1	-56.5	173	-171.5	-114.6	0	0	0	110.6	P52 N53 Y177 E239	Y35-P52 VanDerWaalsContact O-CA 3.27Å; Y35-P52 WeakPolarHBondContact O-CA 3.43Å; Y35-N53 PolarHBondContact O-N 3.45Å; Y35-Y177 AromaticContact CD2-CD2 3.77Å; Y35-Y177 HydrophobicContact CD2-CD2 3.77Å; Y35-Y177 HydrophobicContact CD2-CE1 4.27Å; Y35-Y177 AromaticContact CD2-CE2 3.4Å; Y35-Y177 HydrophobicContact CD2-CE2 3.4Å; Y35-Y177 HydrophobicContact CD2-CG 4.38Å; Y35-Y177 AromaticContact CD2-CZ 3.68Å; Y35-Y177 AromaticContact CE2-CE2 3.98Å; Y35-Y177 HydrophobicContact CE2-CE2 3.98Å; Y35-Y177 HydrophobicContact CG-CD2 4.09Å; Y35-Y177 HydrophobicContact CG-CE2 4.18Å; Y35-Y177 HydrophobicContact CG-CG 4.5Å; Y35-E239 VanDerWaalsContact CE2-OE2 3.3Å; Y35-E239 WeakPolarHBondContact CE2-OE2 3.24Å; Y35-E239 PolarHBondContact OH-OE2 3.35Å
36	E	92.4	Very high	93.8	Very high	23 Å²	23	29.9 Å²	29.9	11%	0.107	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	143.4	177.8	61.2	-178.2	-179.9	0	0	111.1	G33 R38 T50 F51	G33-E36 CarbonylContact C-O 3.57Å; G33-E36 VanDerWaalsContact CA-O 3.23Å; G33-E36 WeakPolarHBondContact CA-O 3.49Å; G33-E36 PolarHBondContact N-O 3.39Å; G33-E36 CarbonylContact O-C 3.56Å; G33-E36 VanDerWaalsContact O-O 3.11Å; E36-R38 HydrophobicContact CG-CG 4.34Å; E36-R38 IonicContact OE1-CZ 2.89Å; E36-R38 IonicContact OE1-NE 3.7Å; E36-R38 PolarHBondContact OE1-NE 3.04Å; E36-R38 IonicContact OE1-NH2 2.86Å; E36-R38 PolarHBondContact OE1-NH2 3.29Å; E36-T50 HydrophobicContact CB-CG2 4.46Å; E36-T50 HydrophobicContact CG-CG2 4.4Å; E36-T50 WeakPolarHBondContact OE2-CG2 3.43Å; E36-F51 CarbonylContact C-O 3.5Å; E36-F51 VanDerWaalsContact CA-O 3.23Å; E36-F51 WeakPolarHBondContact CA-O 3.3Å; E36-F51 WeakPolarHBondContact CB-O 3.49Å
37	C	95.2	Very high	93.8	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	133.4	169.5	-173.7	0	0	0	0	108.8	D31 T50 F51 N53	D31-C37 WeakPolarHBondContact O-CA 3.49Å; C37-T50 WeakPolarHBondContact O-CA 3.01Å; C37-F51 HydrophobicContact CB-CD2 4.37Å; C37-F51 HydrophobicContact CB-CE1 3.99Å; C37-F51 HydrophobicContact CB-CE2 3.82Å; C37-F51 HydrophobicContact CB-CZ 3.61Å; C37-F51 PolarHBondContact N-O 2.82Å; C37-F51 PolarHBondContact O-N 3.13Å; C37-N53 HydrophobicContact CB-CB 4.37Å
38	R	94.8	Very high	93.4	Very high	33 Å²	33	29 Å²	29	13%	0.125	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	122.7	179.3	-35.9	-176.9	-177.3	98.1	-2.8	109	D31 E36 P47 I49 T50 H869	D31-R38 HydrophobicContact CB-CB 4.18Å; D31-R38 PolarHBondContact N-O 2.7Å; D31-R38 PolarHBondContact O-N 3.46Å; D31-R38 IonicContact OD2-CZ 3.19Å; D31-R38 IonicContact OD2-NH1 2.86Å; D31-R38 PolarHBondContact OD2-NH1 2.78Å; E36-R38 HydrophobicContact CG-CG 4.34Å; E36-R38 IonicContact OE1-CZ 2.89Å; E36-R38 IonicContact OE1-NE 3.7Å; E36-R38 PolarHBondContact OE1-NE 3.04Å; E36-R38 IonicContact OE1-NH2 2.86Å; E36-R38 PolarHBondContact OE1-NH2 3.29Å; R38-P47 HydrophobicContact CB-CB 4.08Å; R38-P47 HydrophobicContact CB-CG 4.29Å; R38-I49 CarbonylContact C-O 3.42Å; R38-I49 WeakPolarHBondContact CA-O 3.11Å; R38-T50 HydrophobicContact CG-CG2 4.19Å; R38-H869 PolarHBondContact NE-O 3.32Å; R38-H869 PolarHBondContact NH1-O 3.33Å; R38-H869 PolarHBondContact NH2-O 3.03Å
39	A	94.9	Very high	93.2	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	143.4	-176.7	0	0	0	0	0	113.1	V29 I30 H48 I49 V102 L106	V29-A39 VanDerWaalsContact O-CA 3.31Å; V29-A39 WeakPolarHBondContact O-CA 3.21Å; I30-A39 HydrophobicContact CG1-CB 4.22Å; I30-A39 HydrophobicContact CG2-CB 4.47Å; A39-H48 WeakPolarHBondContact O-CA 3.43Å; A39-H48 WeakPolarHBondContact O-CB 3.23Å; A39-H48 PolarHBondContact O-N 2.84Å; A39-I49 HydrophobicContact CB-CD1 4.16Å; A39-I49 HydrophobicContact CB-CG1 3.87Å; A39-I49 PolarHBondContact N-O 2.93Å; A39-I49 PolarHBondContact O-N 3.31Å; A39-V102 HydrophobicContact CB-CG1 3.62Å; A39-V102 HydrophobicContact CB-CG2 4.36Å; A39-L106 HydrophobicContact CB-CD1 4.47Å
40	G	93.4	Very high	92.9	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.8	170.4	178.2	0	0	0	0	0	113.1	V29	V29-G40 PolarHBondContact N-O 2.84Å; V29-G40 PolarHBondContact O-N 3.46Å; V29-G40 VanDerWaalsContact O-N 3.07Å
41	Y	93	Very high	92.6	Very high	10 Å²	10	32 Å²	32	4%	0.039	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	138.7	174.3	-62.1	-81.1	0	0	0	111	F19 C23 P27 I28 H43 L44 L106	F19-Y41 HydrophobicContact CE1-CD2 4.22Å; F19-Y41 HydrophobicContact CE1-CE2 4.25Å; F19-Y41 HydrophobicContact CE2-CD2 4.23Å; F19-Y41 AromaticContact CE2-CE2 3.78Å; F19-Y41 HydrophobicContact CE2-CE2 3.78Å; F19-Y41 AromaticContact CZ-CD2 3.64Å; F19-Y41 HydrophobicContact CZ-CD2 3.64Å; F19-Y41 AromaticContact CZ-CE2 3.62Å; F19-Y41 HydrophobicContact CZ-CE2 3.62Å; C23-Y41 HydrophobicContact CB-CE1 4.21Å; P27-Y41 WeakPolarHBondContact O-CA 3.4Å; I28-Y41 HydrophobicContact CD1-CE1 4.02Å; I28-Y41 HydrophobicContact CG1-CD1 3.74Å; I28-Y41 HydrophobicContact CG1-CE1 3.71Å; Y41-H43 WeakPolarHBondContact CB-ND1 3.49Å; Y41-H43 PolarHBondContact O-N 2.98Å; Y41-L44 HydrophobicContact CD2-CD1 4.46Å; Y41-L44 WeakPolarHBondContact O-CB 3.48Å; Y41-L44 PolarHBondContact O-N 3.22Å; Y41-L106 HydrophobicContact CD2-CD2 4.49Å; Y41-L106 HydrophobicContact CE2-CD2 4.2Å; Y41-L106 PolarHBondContact OH-O 2.9Å
42	S	93.4	Very high	92.4	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-21	-175.4	68.4	0	0	0	0	114.5	I26 P27 L44 R877 N881	I26-S42 WeakPolarHBondContact CG2-OG 3.3Å; P27-S42 PolarHBondContact O-N 3.24Å; P27-S42 PolarHBondContact O-OG 2.86Å; S42-L44 VanDerWaalsContact C-N 3.32Å; S42-L44 PolarHBondContact O-N 2.94Å; S42-R877 WeakPolarHBondContact O-CD 3.3Å; S42-R877 WeakPolarHBondContact O-CG 3.49Å; S42-R877 PolarHBondContact O-NE 3Å; S42-N881 WeakPolarHBondContact CB-OD1 3.49Å; S42-N881 PolarHBondContact O-ND2 3.17Å; S42-N881 PolarHBondContact OG-OD1 3.13Å
43	H	90.2	Very high	92.3	Very high	81 Å²	81	33 Å²	33	38%	0.375	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-30.8	174.8	72.9	-82	0	0	0	112.7	I26 Y41 R877	I26-H43 WeakPolarHBondContact CD1-ND1 3.34Å; I26-H43 HydrophobicContact CG2-CB 4.24Å; Y41-H43 WeakPolarHBondContact CB-ND1 3.49Å; Y41-H43 PolarHBondContact O-N 2.98Å; H43-R877 PolarHBondContact O-NH2 3.42Å
44	L	90.7	Very high	92.3	Very high	48 Å²	48	33.3 Å²	33.3	25%	0.251	16%	0.163	S	C	.	.	S	Bend	trans	-77.6	147.7	-176.7	-59.8	178.5	0	0	0	112.7	F19 Y41 S42 R877	F19-L44 HydrophobicContact CZ-CD1 4.07Å; Y41-L44 HydrophobicContact CD2-CD1 4.46Å; Y41-L44 WeakPolarHBondContact O-CB 3.48Å; Y41-L44 PolarHBondContact O-N 3.22Å; S42-L44 VanDerWaalsContact C-N 3.32Å; S42-L44 PolarHBondContact O-N 2.94Å; L44-R877 WeakPolarHBondContact O-CD 3.29Å; L44-R877 PolarHBondContact O-NE 3.39Å; L44-R877 PolarHBondContact O-NH2 2.95Å
45	E	89.6	Confident	92.4	Very high	150 Å²	150	32.4 Å²	32.4	70%	0.701	16%	0.158	S	C	*	.	S	Bend	trans	-74.6	-38.2	-175.5	-171.1	160.7	-145.4	0	0	114.1	W873 H874	E45-W873 WeakPolarHBondContact O-CZ3 3.48Å; E45-H874 PolarHBondContact O-CE1 2.83Å; E45-H874 PolarHBondContact O-ND1 3.13Å
46	E	89.9	Confident	92.5	Very high	113 Å²	113	31.6 Å²	31.6	53%	0.528	16%	0.155	S	C	.	.	S	Bend	trans	-110.1	156.4	174.8	-70.6	-176	159.1	0	0	111.3	K15 W873	K15-E46 IonicContact NZ-OE2 3.3Å; E46-W873 WeakPolarHBondContact O-CH2 3.36Å
47	P	91.9	Very high	92.5	Very high	18 Å²	18	37.6 Å²	37.6	12%	0.117	18%	0.177	C	C	.	.			trans	-58.3	143.4	166.6	26.3	-34.8	0	0	0	110.9	R38 L870 W873	R38-P47 HydrophobicContact CB-CB 4.08Å; R38-P47 HydrophobicContact CB-CG 4.29Å; P47-L870 HydrophobicContact CG-CD2 4.05Å; P47-W873 HydrophobicContact CB-CD2 4.19Å; P47-W873 HydrophobicContact CB-CZ2 4.27Å
48	H	87.1	Confident	92.3	Very high	22 Å²	22	38.8 Å²	38.8	10%	0.102	18%	0.184	C	C	.	.	S	Bend	trans	-77.3	-32.9	-177	-159.7	83.8	0	0	0	112.5	F19 A39 L106	F19-H48 AromaticContact CE2-CE1 3.22Å; F19-H48 WeakPolarHBondContact CE2-CE1 3.46Å; F19-H48 AromaticContact CE2-ND1 3.79Å; F19-H48 AromaticContact CE2-NE2 3.59Å; F19-H48 AromaticContact CZ-CE1 3.58Å; F19-H48 AromaticContact CZ-ND1 3.8Å; A39-H48 WeakPolarHBondContact O-CA 3.43Å; A39-H48 WeakPolarHBondContact O-CB 3.23Å; A39-H48 PolarHBondContact O-N 2.84Å; H48-L106 HydrophobicContact CB-CD2 3.72Å
49	I	90.5	Very high	91.9	Very high	9 Å²	9	49 Å²	49	5%	0.046	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	137.8	175.6	60.5	-176.2	0	0	0	109.7	A14 R38 A39 F51 V102 K105	A14-I49 HydrophobicContact CB-CG2 4.36Å; R38-I49 CarbonylContact C-O 3.42Å; R38-I49 WeakPolarHBondContact CA-O 3.11Å; A39-I49 HydrophobicContact CB-CD1 4.16Å; A39-I49 HydrophobicContact CB-CG1 3.87Å; A39-I49 PolarHBondContact N-O 2.93Å; A39-I49 PolarHBondContact O-N 3.31Å; I49-F51 HydrophobicContact CB-CD1 4.46Å; I49-F51 HydrophobicContact CD1-CD1 4.44Å; I49-F51 HydrophobicContact CD1-CE1 3.94Å; I49-F51 HydrophobicContact CG1-CD1 4.39Å; I49-F51 HydrophobicContact CG1-CE1 4.21Å; I49-V102 HydrophobicContact CD1-CB 4.3Å; I49-V102 HydrophobicContact CD1-CG1 4.3Å; I49-V102 HydrophobicContact CD1-CG2 4.17Å; I49-K105 HydrophobicContact CD1-CB 3.95Å; I49-K105 HydrophobicContact CG2-CB 4Å
50	T	91.5	Very high	91.4	Very high	50 Å²	50	58.1 Å²	58.1	31%	0.307	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	124.3	171.5	-64.7	0	0	0	0	107.5	E36 C37 R38 N68	E36-T50 HydrophobicContact CB-CG2 4.46Å; E36-T50 HydrophobicContact CG-CG2 4.4Å; E36-T50 WeakPolarHBondContact OE2-CG2 3.43Å; C37-T50 WeakPolarHBondContact O-CA 3.01Å; R38-T50 HydrophobicContact CG-CG2 4.19Å; T50-N68 PolarHBondContact O-ND2 2.89Å
51	F	92.1	Very high	90.9	Very high	3 Å²	3	61 Å²	61	1%	0.013	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	146.5	-176	61	-88.8	0	0	0	112.4	E36 C37 I49 N53 V66 N68 V98 H101 V102	E36-F51 CarbonylContact C-O 3.5Å; E36-F51 VanDerWaalsContact CA-O 3.23Å; E36-F51 WeakPolarHBondContact CA-O 3.3Å; E36-F51 WeakPolarHBondContact CB-O 3.49Å; C37-F51 HydrophobicContact CB-CD2 4.37Å; C37-F51 HydrophobicContact CB-CE1 3.99Å; C37-F51 HydrophobicContact CB-CE2 3.82Å; C37-F51 HydrophobicContact CB-CZ 3.61Å; C37-F51 PolarHBondContact N-O 2.82Å; C37-F51 PolarHBondContact O-N 3.13Å; I49-F51 HydrophobicContact CB-CD1 4.46Å; I49-F51 HydrophobicContact CD1-CD1 4.44Å; I49-F51 HydrophobicContact CD1-CE1 3.94Å; I49-F51 HydrophobicContact CG1-CD1 4.39Å; I49-F51 HydrophobicContact CG1-CE1 4.21Å; F51-N53 PolarHBondContact O-N 3.24Å; F51-V66 HydrophobicContact CD2-CG1 4.11Å; F51-V66 HydrophobicContact CE2-CG1 3.68Å; F51-N68 HydrophobicContact CB-CB 4.34Å; F51-V98 HydrophobicContact CE2-CG1 4.04Å; F51-V98 HydrophobicContact CZ-CG1 3.97Å; F51-H101 AromaticContact CE1-CD2 3.99Å; F51-H101 AromaticContact CZ-CD2 3.94Å; F51-V102 HydrophobicContact CE1-CG2 3.94Å; F51-V102 HydrophobicContact CZ-CG2 3.8Å
52	P	92.5	Very high	90.1	Very high	29 Å²	29	70.6 Å²	70.6	19%	0.188	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	132.2	175.3	-26.9	37.3	0	0	0	111.5	Y35 V54 G67 N68	Y35-P52 VanDerWaalsContact O-CA 3.27Å; Y35-P52 WeakPolarHBondContact O-CA 3.43Å; P52-V54 HydrophobicContact CB-CG2 4.31Å; P52-V54 PolarHBondContact O-N 3.08Å; P52-G67 WeakPolarHBondContact O-CA 3.48Å; P52-N68 WeakPolarHBondContact CD-OD1 3.39Å
53	N	94.7	Very high	89.8	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	35%	0.347	C	S	.	.	S	Bend	trans	-83.6	61.9	-166.1	-154.6	-16.2	0	0	0	113.1	N32 G33 Y35 C37 F51 V98	N32-N53 PolarHBondContact OD1-ND2 3.04Å; G33-N53 WeakPolarHBondContact O-CB 3.32Å; G33-N53 PolarHBondContact O-ND2 2.99Å; Y35-N53 PolarHBondContact O-N 3.45Å; C37-N53 HydrophobicContact CB-CB 4.37Å; F51-N53 PolarHBondContact O-N 3.24Å; N53-V98 WeakPolarHBondContact OD1-CG2 3.36Å
54	V	94.6	Very high	89.9	Confident	25 Å²	25	70.5 Å²	70.5	15%	0.152	34%	0.342	C	S	.	.			trans	-136.4	147.7	-176	-66.1	0	0	0	0	111.9	P52 G67 I70 L73 L80 K81	P52-V54 HydrophobicContact CB-CG2 4.31Å; P52-V54 PolarHBondContact O-N 3.08Å; V54-G67 PolarHBondContact O-N 2.75Å; V54-I70 HydrophobicContact CG2-CD1 4.41Å; V54-L73 HydrophobicContact CG2-CD1 3.9Å; V54-L80 HydrophobicContact CB-CD2 4.41Å; V54-L80 HydrophobicContact CG2-CD1 4.42Å; V54-L80 HydrophobicContact CG2-CD2 4.28Å; V54-K81 CarbonylContact C-O 3.29Å; V54-K81 WeakPolarHBondContact CA-O 3.28Å
55	V	95.7	Very high	90.1	Very high	6 Å²	6	71 Å²	71	4%	0.036	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	139.4	-175.5	-177.5	0	0	0	0	110	V64 V66 K81 V94 Q97 V98	V55-V64 HydrophobicContact CG1-CG1 3.34Å; V55-V66 HydrophobicContact CG1-CG2 4.36Å; V55-V66 HydrophobicContact CG2-CG1 4.28Å; V55-V66 HydrophobicContact CG2-CG2 4.15Å; V55-K81 PolarHBondContact N-O 3.36Å; V55-K81 PolarHBondContact O-N 3.09Å; V55-V94 HydrophobicContact CB-CG1 3.89Å; V55-V94 HydrophobicContact CG2-CG1 3.52Å; V55-Q97 HydrophobicContact CG1-CB 4.4Å; V55-V98 HydrophobicContact CG2-CG2 3.64Å
56	Y	95	Very high	90.3	Very high	44 Å²	44	64 Å²	64	17%	0.173	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	132	177.4	178.2	-123.8	0	0	0	110.9	P58 L65 V76	Y56-P58 HydrophobicContact CD1-CG 3.92Å; Y56-P58 HydrophobicContact CE1-CB 3.79Å; Y56-P58 HydrophobicContact CE1-CG 3.6Å; Y56-L65 HydrophobicContact CD1-CD1 4.32Å; Y56-L65 PolarHBondContact N-O 3.28Å; Y56-L65 PolarHBondContact O-N 2.75Å; Y56-V76 HydrophobicContact CD1-CG1 4.5Å; Y56-V76 HydrophobicContact CD1-CG2 4.42Å; Y56-V76 HydrophobicContact CD2-CB 4.24Å; Y56-V76 HydrophobicContact CD2-CG2 4.36Å; Y56-V76 HydrophobicContact CE1-CB 4.36Å; Y56-V76 HydrophobicContact CE1-CG1 3.95Å; Y56-V76 HydrophobicContact CE2-CB 4.02Å; Y56-V76 HydrophobicContact CE2-CG1 4.3Å; Y56-V76 HydrophobicContact CG-CG2 4.28Å
57	R	92.8	Very high	90.3	Very high	149 Å²	149	58.6 Å²	58.6	56%	0.562	29%	0.287	S	S	*	.			trans	-113.4	104.6	172.1	-178.8	171.4	-84	139	-3.7	108.8
58	P	91.1	Very high	90.2	Very high	24 Å²	24	59.7 Å²	59.7	16%	0.156	29%	0.292	C	S	.	.			trans	-68.4	135.7	-178.3	-11.5	24.6	0	0	0	111.4	Y56 M60 S61 G63 L65	Y56-P58 HydrophobicContact CD1-CG 3.92Å; Y56-P58 HydrophobicContact CE1-CB 3.79Å; Y56-P58 HydrophobicContact CE1-CG 3.6Å; P58-M60 PolarHBondContact O-N 3.33Å; P58-S61 PolarHBondContact O-N 3.18Å; P58-G63 VanDerWaalsContact CD-O 3.31Å; P58-G63 WeakPolarHBondContact CD-O 3.36Å; P58-L65 HydrophobicContact CG-CD1 4.07Å; P58-L65 HydrophobicContact CG-CG 4.43Å
59	R	86.2	Confident	90.3	Very high	249 Å²	249	61.9 Å²	61.9	94%	0.94	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-26	-175.9	-67.3	-170.9	-68.9	-159.7	-2.5	115.1
60	M	83.9	Confident	90.3	Very high	191 Å²	191	61.7 Å²	61.7	94%	0.941	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.6	5.7	-178.2	-56	-59.2	-70.6	0	0	113.4	P58	P58-M60 PolarHBondContact O-N 3.33Å
61	S	82.5	Confident	89.9	Confident	61 Å²	61	68.7 Å²	68.7	43%	0.427	33%	0.332	S	S	.	.			trans	-128.3	140.1	-177.4	-178.5	0	0	0	0	110.8	P58 G63	P58-S61 PolarHBondContact O-N 3.18Å; S61-G63 VanDerWaalsContact C-N 3.27Å; S61-G63 PolarHBondContact OG-N 3.18Å; S61-G63 VanDerWaalsContact OG-N 3.08Å
62	K	77.4	Confident	89.6	Confident	210 Å²	210	72.2 Å²	72.2	91%	0.913	35%	0.351	S	S	*	.	S	Bend	trans	-75.4	-18.5	168.7	-68.8	-169.8	176.1	-173.7	0	112.7
63	G	87	Confident	89.1	Confident	34 Å²	34	73.2 Å²	73.2	35%	0.351	36%	0.355	S	S	.	.			trans	-73	146.5	-178.5	0	0	0	0	0	112.9	P58 S61	P58-G63 VanDerWaalsContact CD-O 3.31Å; P58-G63 WeakPolarHBondContact CD-O 3.36Å; S61-G63 VanDerWaalsContact C-N 3.27Å; S61-G63 PolarHBondContact OG-N 3.18Å; S61-G63 VanDerWaalsContact OG-N 3.08Å
64	V	92.4	Very high	88.5	Confident	46 Å²	46	75.6 Å²	75.6	28%	0.279	37%	0.367	S	S	.	.			trans	-96	137.1	167.7	177.4	0	0	0	0	108.1	V55 V66 Q97	V55-V64 HydrophobicContact CG1-CG1 3.34Å; V64-V66 HydrophobicContact CG1-CG2 4.09Å; V64-Q97 HydrophobicContact CG1-CB 4.36Å; V64-Q97 HydrophobicContact CG1-CG 4.4Å
65	L	93.9	Very high	88	Confident	57 Å²	57	78.9 Å²	78.9	30%	0.298	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	135.8	172.5	-57.6	179.3	0	0	0	108.7	Y56 P58 D69 I70	Y56-L65 HydrophobicContact CD1-CD1 4.32Å; Y56-L65 PolarHBondContact N-O 3.28Å; Y56-L65 PolarHBondContact O-N 2.75Å; P58-L65 HydrophobicContact CG-CD1 4.07Å; P58-L65 HydrophobicContact CG-CG 4.43Å; L65-D69 HydrophobicContact CD2-CB 4.32Å; L65-I70 HydrophobicContact CB-CG1 3.77Å
66	V	93.9	Very high	87.7	Confident	4 Å²	4	80 Å²	80	2%	0.024	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	134.6	-177.4	-177.5	0	0	0	0	108.9	F51 V55 V64 N68 D69 V98 H101	F51-V66 HydrophobicContact CD2-CG1 4.11Å; F51-V66 HydrophobicContact CE2-CG1 3.68Å; V55-V66 HydrophobicContact CG1-CG2 4.36Å; V55-V66 HydrophobicContact CG2-CG1 4.28Å; V55-V66 HydrophobicContact CG2-CG2 4.15Å; V64-V66 HydrophobicContact CG1-CG2 4.09Å; V66-N68 PolarHBondContact O-N 3.16Å; V66-D69 PolarHBondContact O-N 3.03Å; V66-V98 HydrophobicContact CG1-CG2 4.11Å; V66-H101 HydrophobicContact CB-CB 4.16Å; V66-H101 HydrophobicContact CG1-CB 4.24Å; V66-H101 HydrophobicContact CG2-CB 4.09Å
67	G	90	Very high	87.2	Confident	0 Å²	0	82.7 Å²	82.7	0%	0	41%	0.408	C	S	.	.	G	3₁₀ helix	trans	48	-110.7	174.1	0	0	0	0	0	113.6	R11 P52 V54 D69 I70	R11-G67 PolarHBondContact NH1-O 3.47Å; P52-G67 WeakPolarHBondContact O-CA 3.48Å; V54-G67 PolarHBondContact O-N 2.75Å; G67-D69 VanDerWaalsContact C-N 3.3Å; G67-D69 PolarHBondContact O-N 2.97Å; G67-I70 WeakPolarHBondContact O-CB 3.44Å; G67-I70 PolarHBondContact O-N 3.15Å
68	N	89.4	Confident	86.9	Confident	41 Å²	41	84.5 Å²	84.5	22%	0.219	42%	0.423	C	S	.	.	G	3₁₀ helix	trans	-70.4	-17.5	-175.4	-67.2	-16.7	0	0	0	114.5	T50 F51 P52 V66 I70	T50-N68 PolarHBondContact O-ND2 2.89Å; F51-N68 HydrophobicContact CB-CB 4.34Å; P52-N68 WeakPolarHBondContact CD-OD1 3.39Å; V66-N68 PolarHBondContact O-N 3.16Å; N68-I70 PolarHBondContact O-N 2.87Å
69	D	90	Very high	86.9	Confident	68 Å²	68	87 Å²	87	36%	0.364	44%	0.44	S	S	.	.	G	3₁₀ helix	trans	-75.2	-7.5	176.1	-70	-11.4	0	0	0	112.5	L65 V66 G67 H101 K105	L65-D69 HydrophobicContact CD2-CB 4.32Å; V66-D69 PolarHBondContact O-N 3.03Å; G67-D69 VanDerWaalsContact C-N 3.3Å; G67-D69 PolarHBondContact O-N 2.97Å; D69-H101 IonicContact OD2-CE1 2.74Å; D69-H101 PolarHBondContact OD2-CE1 2.91Å; D69-H101 VanDerWaalsContact OD2-CE1 3.23Å; D69-H101 IonicContact OD2-ND1 2.76Å; D69-K105 IonicContact OD1-NZ 2.62Å; D69-K105 PolarHBondContact OD1-NZ 3.4Å; D69-K105 WeakPolarHBondContact OD2-CE 3.41Å; D69-K105 IonicContact OD2-NZ 2.68Å; D69-K105 PolarHBondContact OD2-NZ 3.3Å
70	I	89.8	Confident	87.3	Confident	4 Å²	4	77.1 Å²	77.1	2%	0.021	41%	0.406	C	S	.	.			trans	-83.6	129	170	-53.7	168.3	0	0	0	108.6	R11 V54 L65 G67 N68 L73 V76 L80	R11-I70 PolarHBondContact NH1-O 2.74Å; V54-I70 HydrophobicContact CG2-CD1 4.41Å; L65-I70 HydrophobicContact CB-CG1 3.77Å; G67-I70 WeakPolarHBondContact O-CB 3.44Å; G67-I70 PolarHBondContact O-N 3.15Å; N68-I70 PolarHBondContact O-N 2.87Å; I70-L73 HydrophobicContact CB-CD1 4.22Å; I70-L73 HydrophobicContact CD1-CD1 3.82Å; I70-L73 HydrophobicContact CG2-CD1 4.01Å; I70-V76 HydrophobicContact CG2-CG2 3.89Å; I70-L80 HydrophobicContact CD1-CD2 3.89Å
71	Q	83.7	Confident	87.8	Confident	197 Å²	197	74.6 Å²	74.6	92%	0.921	39%	0.39	S	S	*	.	S	Bend	trans	-76.9	-56.5	-176.1	-70	-177.8	-14.9	0	0	113.1
72	D	84.9	Confident	88.4	Confident	78 Å²	78	72.9 Å²	72.9	42%	0.417	38%	0.378	S	S	.	.			trans	-115.8	117.3	174.7	178.9	-8.1	0	0	0	108.7	D74 S75 V76	D72-D74 PolarHBondContact OD1-N 3.04Å; D72-S75 PolarHBondContact OD1-N 3.35Å; D72-S75 WeakPolarHBondContact OD2-CB 3.35Å; D72-S75 PolarHBondContact OD2-OG 2.9Å; D72-V76 WeakPolarHBondContact O-CG2 3.39Å
73	L	83.4	Confident	89.4	Confident	49 Å²	49	62.9 Å²	62.9	26%	0.257	33%	0.334	S	S	.	.	S	Bend	trans	-85.5	-32.7	-177.7	-157.3	74.1	0	0	0	112.9	V54 I70 R77 L80	V54-L73 HydrophobicContact CG2-CD1 3.9Å; I70-L73 HydrophobicContact CB-CD1 4.22Å; I70-L73 HydrophobicContact CD1-CD1 3.82Å; I70-L73 HydrophobicContact CG2-CD1 4.01Å; L73-R77 PolarHBondContact O-N 2.79Å; L73-L80 HydrophobicContact CD1-CD1 3.93Å; L73-L80 HydrophobicContact CD1-CD2 3.91Å; L73-L80 HydrophobicContact CD2-CD1 4.47Å; L73-L80 HydrophobicContact CG-CD1 3.89Å
74	D	81.1	Confident	89.8	Confident	50 Å²	50	62.2 Å²	62.2	27%	0.267	32%	0.322	S	S	.	.	S	Bend	trans	-72.5	-41.7	-178.2	-92.1	-30.8	0	0	0	109.8	D72 V76 R77 T234 G236	D72-D74 PolarHBondContact OD1-N 3.04Å; D74-V76 VanDerWaalsContact C-N 3.31Å; D74-V76 PolarHBondContact O-N 3.3Å; D74-R77 VanDerWaalsContact O-CB 3.28Å; D74-R77 WeakPolarHBondContact O-CB 3.41Å; D74-R77 PolarHBondContact O-N 3.12Å; D74-T234 HydrophobicContact CB-CG2 4.23Å; D74-T234 VanDerWaalsContact CG-CB 3.43Å; D74-T234 VanDerWaalsContact CG-OG1 3.3Å; D74-T234 VanDerWaalsContact OD1-CB 3.31Å; D74-T234 WeakPolarHBondContact OD1-CB 3.45Å; D74-T234 PolarHBondContact OD1-OG1 2.81Å; D74-T234 VanDerWaalsContact OD2-CB 3.27Å; D74-T234 WeakPolarHBondContact OD2-CB 3.31Å; D74-T234 PolarHBondContact OD2-OG1 3.03Å; D74-G236 PolarHBondContact OD1-N 3.12Å
75	S	85	Confident	89.9	Confident	95 Å²	95	63.9 Å²	63.9	66%	0.664	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-27.6	177.9	-71.5	0	0	0	0	114.5	D72	D72-S75 PolarHBondContact OD1-N 3.35Å; D72-S75 WeakPolarHBondContact OD2-CB 3.35Å; D72-S75 PolarHBondContact OD2-OG 2.9Å
76	V	89.1	Confident	89.8	Confident	28 Å²	28	64.8 Å²	64.8	17%	0.17	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102	5.2	178.7	-52.7	0	0	0	0	113.6	Y56 I70 D72 D74 H78 S79 L80	Y56-V76 HydrophobicContact CD1-CG1 4.5Å; Y56-V76 HydrophobicContact CD1-CG2 4.42Å; Y56-V76 HydrophobicContact CD2-CB 4.24Å; Y56-V76 HydrophobicContact CD2-CG2 4.36Å; Y56-V76 HydrophobicContact CE1-CB 4.36Å; Y56-V76 HydrophobicContact CE1-CG1 3.95Å; Y56-V76 HydrophobicContact CE2-CB 4.02Å; Y56-V76 HydrophobicContact CE2-CG1 4.3Å; Y56-V76 HydrophobicContact CG-CG2 4.28Å; I70-V76 HydrophobicContact CG2-CG2 3.89Å; D72-V76 WeakPolarHBondContact O-CG2 3.39Å; D74-V76 VanDerWaalsContact C-N 3.31Å; D74-V76 PolarHBondContact O-N 3.3Å; V76-H78 VanDerWaalsContact C-N 3.27Å; V76-H78 PolarHBondContact O-N 3.07Å; V76-S79 PolarHBondContact O-N 3.5Å; V76-L80 HydrophobicContact CG2-CD2 3.84Å; V76-L80 HydrophobicContact CG2-CG 4.37Å
77	R	83.7	Confident	89.8	Confident	101 Å²	101	65.7 Å²	65.7	38%	0.381	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-47.7	-43.3	-169.5	-176.4	179.1	176.2	-172.7	2.3	114.4	L73 D74 S79 L80 A235	L73-R77 PolarHBondContact O-N 2.79Å; D74-R77 VanDerWaalsContact O-CB 3.28Å; D74-R77 WeakPolarHBondContact O-CB 3.41Å; D74-R77 PolarHBondContact O-N 3.12Å; R77-S79 PolarHBondContact O-N 3.27Å; R77-S79 VanDerWaalsContact O-N 3.16Å; R77-L80 PolarHBondContact O-N 2.95Å; R77-A235 VanDerWaalsContact NH1-CB 3.28Å; R77-A235 VanDerWaalsContact NH2-CB 3.3Å
78	H	86.5	Confident	90.1	Very high	187 Å²	187	67.7 Å²	67.7	87%	0.866	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-70.1	-4.9	-179.2	-57.6	-75.3	0	0	0	114.7	V76	V76-H78 VanDerWaalsContact C-N 3.27Å; V76-H78 PolarHBondContact O-N 3.07Å
79	S	92	Very high	90.5	Very high	76 Å²	76	66.5 Å²	66.5	53%	0.531	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-120	7.7	178	-61.2	0	0	0	0	113.2	V76 R77	V76-S79 PolarHBondContact O-N 3.5Å; R77-S79 PolarHBondContact O-N 3.27Å; R77-S79 VanDerWaalsContact O-N 3.16Å
80	L	93.6	Very high	90.7	Very high	42 Å²	42	66.3 Å²	66.3	22%	0.22	35%	0.348	C	S	.	.			trans	-74.8	145.4	173	-63.2	176.5	0	0	0	110.9	V54 I70 L73 V76 R77	V54-L80 HydrophobicContact CB-CD2 4.41Å; V54-L80 HydrophobicContact CG2-CD1 4.42Å; V54-L80 HydrophobicContact CG2-CD2 4.28Å; I70-L80 HydrophobicContact CD1-CD2 3.89Å; L73-L80 HydrophobicContact CD1-CD1 3.93Å; L73-L80 HydrophobicContact CD1-CD2 3.91Å; L73-L80 HydrophobicContact CD2-CD1 4.47Å; L73-L80 HydrophobicContact CG-CD1 3.89Å; V76-L80 HydrophobicContact CG2-CD2 3.84Å; V76-L80 HydrophobicContact CG2-CG 4.37Å; R77-L80 PolarHBondContact O-N 2.95Å
81	K	95.5	Very high	91.1	Very high	138 Å²	138	69.3 Å²	69.3	60%	0.6	36%	0.364	S	S	*	.	B	Isolated β-bridge	trans	-120.2	140.7	166.8	-63.3	-168.6	173.9	-163.5	0	109.8	V54 V55 V94	V54-K81 CarbonylContact C-O 3.29Å; V54-K81 WeakPolarHBondContact CA-O 3.28Å; V55-K81 PolarHBondContact N-O 3.36Å; V55-K81 PolarHBondContact O-N 3.09Å; K81-V94 HydrophobicContact CB-CG1 4.23Å; K81-V94 HydrophobicContact CB-CG2 4.09Å; K81-V94 HydrophobicContact CD-CG2 4.06Å
82	S	95.1	Very high	91.6	Very high	25 Å²	25	62.3 Å²	62.3	18%	0.175	33%	0.332	C	S	.	.			trans	-104.9	148.1	165.5	171.1	0	0	0	0	109.1	N34 F84 N91	N34-S82 PolarHBondContact OD1-OG 3.4Å; S82-F84 PolarHBondContact O-N 3.35Å; S82-F84 PolarHBondContact OG-N 2.83Å; S82-N91 PolarHBondContact O-ND2 2.88Å
83	P	96.9	Very high	92.2	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	34%	0.343	C	S	.	.	S	Bend	trans	-64.3	-15.8	167.5	24.9	-29.8	0	0	0	113.1	V90 N91 V94 Q95 V98	P83-V90 PolarHBondContact O-N 3.39Å; P83-N91 PolarHBondContact O-N 2.96Å; P83-V94 HydrophobicContact CB-CB 4.34Å; P83-V94 HydrophobicContact CB-CG1 4.29Å; P83-Q95 HydrophobicContact CB-CB 3.92Å; P83-Q95 VanDerWaalsContact CB-OE1 3.26Å; P83-V98 HydrophobicContact CG-CG2 4.4Å
84	F	97	Very high	92.8	Very high	21 Å²	21	62.2 Å²	62.2	9%	0.092	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	148	-174.8	-63.2	-91.4	0	0	0	114.9	N32 N34 S82 D86 N87 L88 V89	N32-F84 VanDerWaalsContact O-CZ 3.25Å; N32-F84 WeakPolarHBondContact O-CZ 3.48Å; N34-F84 HydrophobicContact CB-CB 4.18Å; N34-F84 HydrophobicContact CB-CD1 4.12Å; N34-F84 HydrophobicContact CB-CD2 3.56Å; N34-F84 HydrophobicContact CB-CE1 4.45Å; N34-F84 HydrophobicContact CB-CE2 3.96Å; N34-F84 HydrophobicContact CB-CG 3.67Å; N34-F84 HydrophobicContact CB-CZ 4.39Å; N34-F84 WeakPolarHBondContact OD1-CB 3.19Å; N34-F84 VanDerWaalsContact OD1-CD2 3.27Å; N34-F84 WeakPolarHBondContact OD1-CD2 3.33Å; S82-F84 PolarHBondContact O-N 3.35Å; S82-F84 PolarHBondContact OG-N 2.83Å; F84-D86 WeakPolarHBondContact CB-O 3.45Å; F84-N87 WeakPolarHBondContact CD1-O 3.39Å; F84-L88 CarbonylContact C-O 3.6Å; F84-L88 WeakPolarHBondContact CA-O 3.32Å; F84-V89 HydrophobicContact CD1-CG2 3.98Å; F84-V89 HydrophobicContact CE1-CG2 3.43Å; F84-V89 VanDerWaalsContact CE1-CG2 3.43Å; F84-V89 HydrophobicContact CZ-CG2 3.75Å
85	V	94.7	Very high	93.6	Very high	80 Å²	80	59.9 Å²	59.9	49%	0.485	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	125.4	154.9	179	0	0	0	0	106.6	N87 L88 V90	V85-N87 PolarHBondContact O-N 3.47Å; V85-L88 PolarHBondContact N-O 3.41Å; V85-L88 PolarHBondContact O-N 2.81Å; V85-V90 HydrophobicContact CB-CB 4.46Å; V85-V90 HydrophobicContact CB-CG2 4.09Å; V85-V90 HydrophobicContact CG2-CB 4.11Å; V85-V90 HydrophobicContact CG2-CG2 4.29Å
86	D	91.4	Very high	94.2	Very high	76 Å²	76	59.4 Å²	59.4	41%	0.406	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.7	-124.1	-157.4	-73.3	-43.6	0	0	0	111.1	N34 F84 Q178 R179	N34-D86 PolarHBondContact ND2-O 3.14Å; F84-D86 WeakPolarHBondContact CB-O 3.45Å; D86-Q178 VanDerWaalsContact CA-NE2 3.32Å; D86-Q178 VanDerWaalsContact O-CD 3.27Å; D86-Q178 PolarHBondContact O-NE2 2.89Å; D86-Q178 PolarHBondContact O-OE1 2.92Å; D86-Q178 VanDerWaalsContact O-OE1 3.06Å; D86-R179 IonicContact OD1-CZ 3.75Å; D86-R179 IonicContact OD1-NH1 2.76Å; D86-R179 IonicContact OD1-NH2 3.23Å; D86-R179 PolarHBondContact OD1-NH2 3.23Å; D86-R179 IonicContact OD2-CZ 2.75Å; D86-R179 IonicContact OD2-NH2 3.72Å; D86-R179 PolarHBondContact OD2-NH2 3.08Å
87	N	92.8	Very high	94.5	Very high	23 Å²	23	60 Å²	60	12%	0.123	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	6.1	174.7	64.4	-34.6	0	0	0	113.5	F84 V85 V121 R179	F84-N87 WeakPolarHBondContact CD1-O 3.39Å; V85-N87 PolarHBondContact O-N 3.47Å; N87-V121 HydrophobicContact CB-CG2 4.15Å; N87-V121 WeakPolarHBondContact ND2-CG1 3.13Å; N87-V121 WeakPolarHBondContact ND2-CG2 3.4Å; N87-V121 WeakPolarHBondContact O-CG2 3.4Å; N87-R179 HydrophobicContact CB-CG 4.21Å; N87-R179 WeakPolarHBondContact OD1-CG 3.32Å
88	L	96.4	Very high	95.1	Very high	43 Å²	43	55.2 Å²	55.2	23%	0.225	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	136	179.2	-59.8	178.8	0	0	0	111.1	F84 V85 V90 V121 P125	F84-L88 CarbonylContact C-O 3.6Å; F84-L88 WeakPolarHBondContact CA-O 3.32Å; V85-L88 PolarHBondContact N-O 3.41Å; V85-L88 PolarHBondContact O-N 2.81Å; L88-V90 HydrophobicContact CB-CG2 4.27Å; L88-V90 PolarHBondContact O-N 3.37Å; L88-V121 HydrophobicContact CD2-CB 4.28Å; L88-V121 HydrophobicContact CD2-CG1 4.37Å; L88-V121 HydrophobicContact CD2-CG2 4.24Å; L88-P125 HydrophobicContact CD1-CG 4.09Å; L88-P125 HydrophobicContact CD2-CG 4.38Å
89	V	96.9	Very high	95.6	Very high	15 Å²	15	46.3 Å²	46.3	9%	0.091	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	124.9	170.3	-179.4	0	0	0	0	108.5	F84 Q95	F84-V89 HydrophobicContact CD1-CG2 3.98Å; F84-V89 HydrophobicContact CE1-CG2 3.43Å; F84-V89 VanDerWaalsContact CE1-CG2 3.43Å; F84-V89 HydrophobicContact CZ-CG2 3.75Å; V89-Q95 HydrophobicContact CG1-CB 4.16Å; V89-Q95 HydrophobicContact CG1-CG 4.01Å
90	V	96	Very high	95.7	Very high	64 Å²	64	45.2 Å²	45.2	39%	0.388	24%	0.241	S	C	.	.			trans	-137.8	-37.2	-178.4	-176.6	0	0	0	0	111.8	P83 V85 L88 L92	P83-V90 PolarHBondContact O-N 3.39Å; V85-V90 HydrophobicContact CB-CB 4.46Å; V85-V90 HydrophobicContact CB-CG2 4.09Å; V85-V90 HydrophobicContact CG2-CB 4.11Å; V85-V90 HydrophobicContact CG2-CG2 4.29Å; L88-V90 HydrophobicContact CB-CG2 4.27Å; L88-V90 PolarHBondContact O-N 3.37Å; V90-L92 PolarHBondContact O-N 2.89Å; V90-L92 VanDerWaalsContact O-N 3.07Å
91	N	96.4	Very high	95.7	Very high	68 Å²	68	44.5 Å²	44.5	36%	0.364	24%	0.236	S	C	.	.			trans	-86.5	79	-176.9	-59.6	-44.4	0	0	0	110.7	S82 P83 D93 V94 Q95	S82-N91 PolarHBondContact O-ND2 2.88Å; P83-N91 PolarHBondContact O-N 2.96Å; N91-D93 PolarHBondContact O-N 3.5Å; N91-V94 HydrophobicContact CB-CB 4.14Å; N91-V94 HydrophobicContact CB-CG2 3.95Å; N91-V94 WeakPolarHBondContact O-CA 3.48Å; N91-V94 WeakPolarHBondContact O-CB 3.4Å; N91-V94 PolarHBondContact O-N 3.45Å; N91-Q95 PolarHBondContact O-N 3.01Å
92	L	96.2	Very high	95.6	Very high	49 Å²	49	37.9 Å²	37.9	26%	0.257	21%	0.208	S	C	.	.	H	α-helix	trans	-56.4	-42.6	-174	-58.8	172.7	0	0	0	113.6	V90 V94 Q95 E96 Q131	V90-L92 PolarHBondContact O-N 2.89Å; V90-L92 VanDerWaalsContact O-N 3.07Å; L92-V94 PolarHBondContact O-N 2.87Å; L92-V94 VanDerWaalsContact O-N 3.08Å; L92-Q95 CarbonylContact O-C 3.55Å; L92-Q95 WeakPolarHBondContact O-CA 3.33Å; L92-Q95 WeakPolarHBondContact O-CB 3.33Å; L92-Q95 PolarHBondContact O-N 2.8Å; L92-E96 PolarHBondContact O-N 2.99Å; L92-Q131 HydrophobicContact CD1-CB 3.72Å; L92-Q131 HydrophobicContact CD1-CG 4.03Å; L92-Q131 HydrophobicContact CD2-CB 3.82Å; L92-Q131 HydrophobicContact CG-CB 4.33Å
93	D	95.9	Very high	95.4	Very high	119 Å²	119	37 Å²	37	64%	0.636	20%	0.201	S	C	*	.	H	α-helix	trans	-52.1	-36	175.3	-46.5	-4.7	0	0	0	112.3	N91 Q97	N91-D93 PolarHBondContact O-N 3.5Å; D93-Q97 WeakPolarHBondContact O-CG 3.4Å; D93-Q97 PolarHBondContact O-N 2.84Å; D93-Q97 PolarHBondContact O-NE2 3.34Å
94	V	96.9	Very high	95.1	Very high	7 Å²	7	39.2 Å²	39.2	4%	0.042	22%	0.224	C	C	.	.	H	α-helix	trans	-81.7	-38.3	-179.4	-173.9	0	0	0	0	109.9	V55 K81 P83 N91 L92 Q97 V98	V55-V94 HydrophobicContact CB-CG1 3.89Å; V55-V94 HydrophobicContact CG2-CG1 3.52Å; K81-V94 HydrophobicContact CB-CG1 4.23Å; K81-V94 HydrophobicContact CB-CG2 4.09Å; K81-V94 HydrophobicContact CD-CG2 4.06Å; P83-V94 HydrophobicContact CB-CB 4.34Å; P83-V94 HydrophobicContact CB-CG1 4.29Å; N91-V94 HydrophobicContact CB-CB 4.14Å; N91-V94 HydrophobicContact CB-CG2 3.95Å; N91-V94 WeakPolarHBondContact O-CA 3.48Å; N91-V94 WeakPolarHBondContact O-CB 3.4Å; N91-V94 PolarHBondContact O-N 3.45Å; L92-V94 PolarHBondContact O-N 2.87Å; L92-V94 VanDerWaalsContact O-N 3.08Å; V94-Q97 PolarHBondContact O-N 2.74Å; V94-V98 WeakPolarHBondContact O-CG2 3.31Å; V94-V98 PolarHBondContact O-N 3.43Å
95	Q	97.6	Very high	94.7	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-62.6	-41.4	174.9	-176.2	67.3	25.5	0	0	111.6	N32 P83 V89 N91 L92 Q97 V98 M99 L132 L135	N32-Q95 PolarHBondContact ND2-NE2 2.99Å; N32-Q95 PolarHBondContact ND2-OE1 2.88Å; N32-Q95 VanDerWaalsContact ND2-OE1 3.1Å; P83-Q95 HydrophobicContact CB-CB 3.92Å; P83-Q95 VanDerWaalsContact CB-OE1 3.26Å; V89-Q95 HydrophobicContact CG1-CB 4.16Å; V89-Q95 HydrophobicContact CG1-CG 4.01Å; N91-Q95 PolarHBondContact O-N 3.01Å; L92-Q95 CarbonylContact O-C 3.55Å; L92-Q95 WeakPolarHBondContact O-CA 3.33Å; L92-Q95 WeakPolarHBondContact O-CB 3.33Å; L92-Q95 PolarHBondContact O-N 2.8Å; Q95-Q97 PolarHBondContact O-N 2.76Å; Q95-V98 CarbonylContact O-C 3.45Å; Q95-V98 PolarHBondContact O-N 2.93Å; Q95-V98 VanDerWaalsContact O-N 3.15Å; Q95-M99 HydrophobicContact CG-CG 4.33Å; Q95-M99 VanDerWaalsContact O-CG 3.32Å; Q95-M99 WeakPolarHBondContact O-CG 3.36Å; Q95-M99 PolarHBondContact O-N 2.87Å; Q95-L132 HydrophobicContact CG-CD1 3.91Å; Q95-L135 HydrophobicContact CB-CD2 4.12Å; Q95-L135 HydrophobicContact CG-CD2 3.73Å
96	E	96.6	Very high	94.4	Very high	85 Å²	85	38 Å²	38	40%	0.397	21%	0.212	S	C	.	.	H	α-helix	trans	-56.9	-48.8	171.7	-173.1	-159.1	150.4	0	0	110.8	L92 V98 M99 S100 L135 Y140	L92-E96 PolarHBondContact O-N 2.99Å; E96-V98 PolarHBondContact O-N 3.07Å; E96-M99 PolarHBondContact O-N 2.87Å; E96-M99 VanDerWaalsContact O-N 3.16Å; E96-S100 WeakPolarHBondContact O-CB 3.25Å; E96-S100 PolarHBondContact O-N 2.9Å; E96-S100 PolarHBondContact O-OG 2.81Å; E96-L135 HydrophobicContact CB-CD1 3.97Å; E96-L135 HydrophobicContact CG-CD1 4.08Å; E96-Y140 WeakPolarHBondContact CG-OH 3.42Å; E96-Y140 PolarHBondContact O-OH 3.38Å
97	Q	96.1	Very high	94.1	Very high	42 Å²	42	39.7 Å²	39.7	20%	0.196	22%	0.221	C	C	.	.	H	α-helix	trans	-60.7	-31.3	177.3	-73.8	163.3	70.7	0	0	112.5	V55 V64 D93 V94 Q95 H101	V55-Q97 HydrophobicContact CG1-CB 4.4Å; V64-Q97 HydrophobicContact CG1-CB 4.36Å; V64-Q97 HydrophobicContact CG1-CG 4.4Å; D93-Q97 WeakPolarHBondContact O-CG 3.4Å; D93-Q97 PolarHBondContact O-N 2.84Å; D93-Q97 PolarHBondContact O-NE2 3.34Å; V94-Q97 PolarHBondContact O-N 2.74Å; Q95-Q97 PolarHBondContact O-N 2.76Å; Q97-H101 WeakPolarHBondContact O-CB 3.32Å; Q97-H101 PolarHBondContact O-N 2.77Å
98	V	96.8	Very high	93.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-75.4	-44	173.1	174.5	0	0	0	0	112	F51 N53 V55 V66 P83 V94 Q95 E96 H101 V102	F51-V98 HydrophobicContact CE2-CG1 4.04Å; F51-V98 HydrophobicContact CZ-CG1 3.97Å; N53-V98 WeakPolarHBondContact OD1-CG2 3.36Å; V55-V98 HydrophobicContact CG2-CG2 3.64Å; V66-V98 HydrophobicContact CG1-CG2 4.11Å; P83-V98 HydrophobicContact CG-CG2 4.4Å; V94-V98 WeakPolarHBondContact O-CG2 3.31Å; V94-V98 PolarHBondContact O-N 3.43Å; Q95-V98 CarbonylContact O-C 3.45Å; Q95-V98 PolarHBondContact O-N 2.93Å; Q95-V98 VanDerWaalsContact O-N 3.15Å; E96-V98 PolarHBondContact O-N 3.07Å; V98-H101 WeakPolarHBondContact O-CB 3.35Å; V98-H101 PolarHBondContact O-N 2.99Å; V98-V102 WeakPolarHBondContact O-CG2 3.44Å; V98-V102 PolarHBondContact O-N 3.1Å
99	M	96	Very high	92.6	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-66.8	-43.2	179.3	-66.1	-62.5	88.9	0	0	112	I30 Q95 E96 H101 V102 F103 I118 L136 Y140	I30-M99 HydrophobicContact CD1-SD 4.28Å; I30-M99 HydrophobicContact CG2-CE 4.2Å; Q95-M99 HydrophobicContact CG-CG 4.33Å; Q95-M99 VanDerWaalsContact O-CG 3.32Å; Q95-M99 WeakPolarHBondContact O-CG 3.36Å; Q95-M99 PolarHBondContact O-N 2.87Å; E96-M99 PolarHBondContact O-N 2.87Å; E96-M99 VanDerWaalsContact O-N 3.16Å; M99-H101 PolarHBondContact O-N 3.43Å; M99-V102 HydrophobicContact CE-CG2 4.11Å; M99-V102 WeakPolarHBondContact O-CB 3.31Å; M99-V102 PolarHBondContact O-N 3.32Å; M99-F103 HydrophobicContact CB-CD2 4.43Å; M99-F103 HydrophobicContact CB-CE2 4.02Å; M99-F103 WeakPolarHBondContact O-CD2 3.07Å; M99-F103 PolarHBondContact O-N 3.41Å; M99-I118 HydrophobicContact SD-CD1 4.27Å; M99-L136 HydrophobicContact SD-CD2 4.47Å; M99-Y140 HydrophobicContact CB-CE2 3.65Å; M99-Y140 WeakPolarHBondContact CB-OH 3.41Å; M99-Y140 HydrophobicContact CG-CE2 4.39Å
100	S	94.2	Very high	91.6	Very high	52 Å²	52	51.3 Å²	51.3	36%	0.364	27%	0.274	S	S	.	.	H	α-helix	trans	-60.2	-34.4	172.3	-65.3	0	0	0	0	112.2	E96 G104 Y140	E96-S100 WeakPolarHBondContact O-CB 3.25Å; E96-S100 PolarHBondContact O-N 2.9Å; E96-S100 PolarHBondContact O-OG 2.81Å; S100-G104 PolarHBondContact O-N 3.07Å; S100-Y140 PolarHBondContact N-OH 3.05Å; S100-Y140 VanDerWaalsContact N-OH 3.16Å; S100-Y140 PolarHBondContact OG-OH 2.79Å
101	H	93.4	Very high	90.9	Very high	27 Å²	27	52.7 Å²	52.7	13%	0.125	29%	0.285	C	S	.	.	H	α-helix	trans	-68.2	-43.5	171	-177.7	103.5	0	0	0	111.8	F51 V66 D69 Q97 V98 M99 K105	F51-H101 AromaticContact CE1-CD2 3.99Å; F51-H101 AromaticContact CZ-CD2 3.94Å; V66-H101 HydrophobicContact CB-CB 4.16Å; V66-H101 HydrophobicContact CG1-CB 4.24Å; V66-H101 HydrophobicContact CG2-CB 4.09Å; D69-H101 IonicContact OD2-CE1 2.74Å; D69-H101 PolarHBondContact OD2-CE1 2.91Å; D69-H101 VanDerWaalsContact OD2-CE1 3.23Å; D69-H101 IonicContact OD2-ND1 2.76Å; Q97-H101 WeakPolarHBondContact O-CB 3.32Å; Q97-H101 PolarHBondContact O-N 2.77Å; V98-H101 WeakPolarHBondContact O-CB 3.35Å; V98-H101 PolarHBondContact O-N 2.99Å; M99-H101 PolarHBondContact O-N 3.43Å; H101-K105 WeakPolarHBondContact CE1-CE 3.47Å; H101-K105 VanDerWaalsContact NE2-CE 3.31Å; H101-K105 WeakPolarHBondContact NE2-CE 3.43Å; H101-K105 WeakPolarHBondContact O-CB 3.44Å; H101-K105 WeakPolarHBondContact O-CG 3.14Å; H101-K105 PolarHBondContact O-N 3.04Å
102	V	93.7	Very high	90.5	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-58.7	-56.5	177.1	167.8	0	0	0	0	111.3	I30 A39 I49 F51 V98 M99 G104 K105 L106	I30-V102 HydrophobicContact CD1-CG1 4.05Å; I30-V102 HydrophobicContact CG1-CG1 4.39Å; A39-V102 HydrophobicContact CB-CG1 3.62Å; A39-V102 HydrophobicContact CB-CG2 4.36Å; I49-V102 HydrophobicContact CD1-CB 4.3Å; I49-V102 HydrophobicContact CD1-CG1 4.3Å; I49-V102 HydrophobicContact CD1-CG2 4.17Å; F51-V102 HydrophobicContact CE1-CG2 3.94Å; F51-V102 HydrophobicContact CZ-CG2 3.8Å; V98-V102 WeakPolarHBondContact O-CG2 3.44Å; V98-V102 PolarHBondContact O-N 3.1Å; M99-V102 HydrophobicContact CE-CG2 4.11Å; M99-V102 WeakPolarHBondContact O-CB 3.31Å; M99-V102 PolarHBondContact O-N 3.32Å; V102-G104 VanDerWaalsContact C-N 3.35Å; V102-G104 PolarHBondContact O-N 3.37Å; V102-K105 PolarHBondContact O-N 3.09Å; V102-L106 HydrophobicContact CG1-CD1 3.8Å; V102-L106 WeakPolarHBondContact O-CB 3.17Å; V102-L106 VanDerWaalsContact O-CG 3.3Å; V102-L106 WeakPolarHBondContact O-CG 3.36Å; V102-L106 PolarHBondContact O-N 3.05Å
103	F	92.3	Very high	90.2	Very high	5 Å²	5	51.2 Å²	51.2	2%	0.022	28%	0.28	C	S	.	.	H	α-helix	trans	-65.5	-38.3	-177.7	-58.5	-49.2	0	0	0	112.1	I30 M99 L106 N107 V108 L112 V116 L136 Y140	I30-F103 HydrophobicContact CD1-CE1 3.94Å; I30-F103 HydrophobicContact CD1-CZ 4.1Å; M99-F103 HydrophobicContact CB-CD2 4.43Å; M99-F103 HydrophobicContact CB-CE2 4.02Å; M99-F103 WeakPolarHBondContact O-CD2 3.07Å; M99-F103 PolarHBondContact O-N 3.41Å; F103-L106 PolarHBondContact O-N 2.93Å; F103-N107 PolarHBondContact O-N 2.91Å; F103-V108 HydrophobicContact CB-CB 4.42Å; F103-V108 HydrophobicContact CD1-CG2 4.45Å; F103-V108 PolarHBondContact O-N 3.1Å; F103-V108 VanDerWaalsContact O-N 3.09Å; F103-L112 HydrophobicContact CD1-CD2 3.97Å; F103-L112 HydrophobicContact CD2-CD2 4.26Å; F103-L112 HydrophobicContact CE1-CD2 3.69Å; F103-L112 HydrophobicContact CE2-CD2 3.99Å; F103-L112 HydrophobicContact CG-CD2 4.26Å; F103-L112 HydrophobicContact CZ-CD2 3.7Å; F103-V116 HydrophobicContact CE1-CG2 4.4Å; F103-V116 HydrophobicContact CZ-CG2 4.5Å; F103-L136 HydrophobicContact CZ-CD2 4.38Å; F103-Y140 AromaticContact CD2-CD1 3.67Å; F103-Y140 HydrophobicContact CD2-CD1 3.67Å; F103-Y140 AromaticContact CD2-CE1 3.84Å; F103-Y140 HydrophobicContact CD2-CE1 3.84Å; F103-Y140 HydrophobicContact CD2-CG 4.08Å; F103-Y140 AromaticContact CE2-CD1 3.8Å; F103-Y140 HydrophobicContact CE2-CD1 3.8Å; F103-Y140 AromaticContact CE2-CD2 3.95Å; F103-Y140 HydrophobicContact CE2-CD2 3.95Å; F103-Y140 HydrophobicContact CE2-CE1 4.13Å; F103-Y140 HydrophobicContact CE2-CE2 4.27Å; F103-Y140 AromaticContact CE2-CG 3.71Å; F103-Y140 HydrophobicContact CE2-CG 3.71Å
104	G	90	Very high	90	Very high	48 Å²	48	45.8 Å²	45.8	50%	0.495	25%	0.251	S	S	.	.	H	α-helix	trans	-62.9	-42.6	174.9	0	0	0	0	0	113.8	S100 V102 N107	S100-G104 PolarHBondContact O-N 3.07Å; V102-G104 VanDerWaalsContact C-N 3.35Å; V102-G104 PolarHBondContact O-N 3.37Å; G104-N107 PolarHBondContact O-N 2.88Å
105	K	88.4	Confident	89.9	Confident	74 Å²	74	46 Å²	46	32%	0.322	25%	0.252	S	S	.	.	H	α-helix	trans	-72.1	-31.5	176.4	-63.6	-76.5	-175.1	-179.6	0	112.4	I49 D69 H101 V102 N107	I49-K105 HydrophobicContact CD1-CB 3.95Å; I49-K105 HydrophobicContact CG2-CB 4Å; D69-K105 IonicContact OD1-NZ 2.62Å; D69-K105 PolarHBondContact OD1-NZ 3.4Å; D69-K105 WeakPolarHBondContact OD2-CE 3.41Å; D69-K105 IonicContact OD2-NZ 2.68Å; D69-K105 PolarHBondContact OD2-NZ 3.3Å; H101-K105 WeakPolarHBondContact CE1-CE 3.47Å; H101-K105 VanDerWaalsContact NE2-CE 3.31Å; H101-K105 WeakPolarHBondContact NE2-CE 3.43Å; H101-K105 WeakPolarHBondContact O-CB 3.44Å; H101-K105 WeakPolarHBondContact O-CG 3.14Å; H101-K105 PolarHBondContact O-N 3.04Å; V102-K105 PolarHBondContact O-N 3.09Å; K105-N107 PolarHBondContact O-N 2.89Å; K105-N107 PolarHBondContact O-ND2 3.22Å; K105-N107 VanDerWaalsContact O-ND2 3.08Å
106	L	87.8	Confident	89.8	Confident	1 Å²	1	46 Å²	46	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-73.2	-11.7	172	-69.7	172.9	0	0	0	112.9	I28 A39 Y41 H48 V102 F103 V108	I28-L106 HydrophobicContact CD1-CD1 4.45Å; I28-L106 HydrophobicContact CG2-CD1 3.69Å; A39-L106 HydrophobicContact CB-CD1 4.47Å; Y41-L106 HydrophobicContact CD2-CD2 4.49Å; Y41-L106 HydrophobicContact CE2-CD2 4.2Å; Y41-L106 PolarHBondContact OH-O 2.9Å; H48-L106 HydrophobicContact CB-CD2 3.72Å; V102-L106 HydrophobicContact CG1-CD1 3.8Å; V102-L106 WeakPolarHBondContact O-CB 3.17Å; V102-L106 VanDerWaalsContact O-CG 3.3Å; V102-L106 WeakPolarHBondContact O-CG 3.36Å; V102-L106 PolarHBondContact O-N 3.05Å; F103-L106 PolarHBondContact O-N 2.93Å; L106-V108 VanDerWaalsContact C-N 3.29Å; L106-V108 HydrophobicContact CB-CG2 3.82Å
107	N	84.9	Confident	89.9	Confident	111 Å²	111	42 Å²	42	59%	0.594	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.9	33.9	-175.9	-50.5	-96	0	0	0	113.3	F103 G104 K105	F103-N107 PolarHBondContact O-N 2.91Å; G104-N107 PolarHBondContact O-N 2.88Å; K105-N107 PolarHBondContact O-N 2.89Å; K105-N107 PolarHBondContact O-ND2 3.22Å; K105-N107 VanDerWaalsContact O-ND2 3.08Å
108	V	83.3	Confident	89.9	Confident	21 Å²	21	40 Å²	40	13%	0.127	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-73	136.9	172.2	-167.1	0	0	0	0	108.6	I28 F103 L106 L112	I28-V108 HydrophobicContact CD1-CG2 3.65Å; F103-V108 HydrophobicContact CB-CB 4.42Å; F103-V108 HydrophobicContact CD1-CG2 4.45Å; F103-V108 PolarHBondContact O-N 3.1Å; F103-V108 VanDerWaalsContact O-N 3.09Å; L106-V108 VanDerWaalsContact C-N 3.29Å; L106-V108 HydrophobicContact CB-CG2 3.82Å; V108-L112 HydrophobicContact CG1-CD1 4.27Å; V108-L112 HydrophobicContact CG1-CG 3.93Å
109	Q	75.8	Confident	89.9	Confident	164 Å²	164	41 Å²	41	77%	0.766	23%	0.229	S	C	*	.	P	Polyproline II helix	trans	-91.4	146	173.4	-66.5	-172.7	-10.1	0	0	110.3	P111	Q109-P111 CarbonylContact O-C 3.57Å; Q109-P111 VanDerWaalsContact O-O 3.13Å
110	E	76.2	Confident	89.9	Confident	140 Å²	140	41.7 Å²	41.7	65%	0.654	23%	0.233	S	C	*	.	S	Bend	trans	-88.8	142.9	174.3	-70.8	171.3	-177	0	0	110.7	L112	E110-L112 HydrophobicContact CG-CD1 4.05Å
111	P	81.2	Confident	89.9	Confident	94 Å²	94	40.2 Å²	40.2	61%	0.61	22%	0.222	S	C	*	.	S	Bend	cis	-69.2	148.9	-6.4	31.3	-36	0	0	0	111.8	Q109 T113 N141	Q109-P111 CarbonylContact O-C 3.57Å; Q109-P111 VanDerWaalsContact O-O 3.13Å; P111-T113 PolarHBondContact O-N 2.84Å; P111-N141 HydrophobicContact CB-CB 4.19Å
112	L	87.4	Confident	89.9	Confident	7 Å²	7	39.4 Å²	39.4	4%	0.037	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-60.3	129.4	-178	-89.5	59.9	0	0	0	110.9	F103 V108 E110 V116 V142 P143	F103-L112 HydrophobicContact CD1-CD2 3.97Å; F103-L112 HydrophobicContact CD2-CD2 4.26Å; F103-L112 HydrophobicContact CE1-CD2 3.69Å; F103-L112 HydrophobicContact CE2-CD2 3.99Å; F103-L112 HydrophobicContact CG-CD2 4.26Å; F103-L112 HydrophobicContact CZ-CD2 3.7Å; V108-L112 HydrophobicContact CG1-CD1 4.27Å; V108-L112 HydrophobicContact CG1-CG 3.93Å; E110-L112 HydrophobicContact CG-CD1 4.05Å; L112-V116 HydrophobicContact CD2-CG2 4.4Å; L112-V142 HydrophobicContact CD2-CG2 3.77Å; L112-P143 WeakPolarHBondContact O-CD 3.12Å
113	T	89.6	Confident	89.8	Confident	79 Å²	79	42.8 Å²	42.8	49%	0.485	24%	0.241	S	C	.	.			trans	-98.9	-16.6	173.9	45	0	0	0	0	112.7	T24 P111	T24-T113 WeakPolarHBondContact CB-OG1 3.42Å; T24-T113 CarbonylContact O-C 3.09Å; T24-T113 WeakPolarHBondContact O-CB 3.43Å; T24-T113 VanDerWaalsContact O-O 3.09Å; T24-T113 PolarHBondContact O-OG1 3.15Å; P111-T113 PolarHBondContact O-N 2.84Å
114	N	91.7	Very high	89.8	Confident	4 Å²	4	43.2 Å²	43.2	2%	0.021	24%	0.243	C	C	.	.	S	Bend	trans	-82.1	137.5	-177.2	-64.4	88.1	0	0	0	112.4	C23 T24 I26 I28 P143	C23-N114 PolarHBondContact O-ND2 2.84Å; T24-N114 PolarHBondContact O-N 3.32Å; I26-N114 PolarHBondContact O-ND2 3.18Å; I28-N114 HydrophobicContact CD1-CB 3.59Å; I28-N114 HydrophobicContact CG1-CB 3.88Å; N114-P143 VanDerWaalsContact O-CD 3.32Å; N114-P143 WeakPolarHBondContact O-CD 3.18Å
115	P	94.7	Very high	89.9	Confident	12 Å²	12	43.6 Å²	43.6	8%	0.078	24%	0.238	C	C	.	.			trans	-59.4	144.8	161.7	-19	31.6	0	0	0	110.9	T25 P27 I28 K144 Y889	T25-P115 WeakPolarHBondContact O-CD 3.3Å; P27-P115 CarbonylContact C-O 3.55Å; P27-P115 WeakPolarHBondContact CA-O 3.48Å; P27-P115 HydrophobicContact CB-CB 4.34Å; P27-P115 HydrophobicContact CG-CB 4.31Å; P27-P115 HydrophobicContact CG-CG 4.31Å; I28-P115 PolarHBondContact N-O 3.04Å; P115-K144 WeakPolarHBondContact CA-O 3.28Å; P115-K144 HydrophobicContact CB-CB 3.98Å; P115-K144 HydrophobicContact CG-CB 4.49Å; P115-K144 HydrophobicContact CG-CD 4.33Å; P115-Y889 HydrophobicContact CB-CD1 4.36Å; P115-Y889 HydrophobicContact CB-CE1 3.71Å
116	V	96.3	Very high	90	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	132.8	175.6	177.9	0	0	0	0	110.2	I30 F103 L112 I118 V142 K144 L145 M146	I30-V116 HydrophobicContact CD1-CG1 3.96Å; I30-V116 HydrophobicContact CG1-CG1 4.5Å; F103-V116 HydrophobicContact CE1-CG2 4.4Å; F103-V116 HydrophobicContact CZ-CG2 4.5Å; L112-V116 HydrophobicContact CD2-CG2 4.4Å; V116-I118 HydrophobicContact CG1-CB 4.43Å; V116-V142 HydrophobicContact CB-CG1 3.96Å; V116-V142 HydrophobicContact CB-CG2 4.42Å; V116-V142 HydrophobicContact CG2-CG1 3.89Å; V116-V142 HydrophobicContact CG2-CG2 3.75Å; V116-K144 PolarHBondContact N-O 2.79Å; V116-L145 HydrophobicContact CB-CD1 4.18Å; V116-L145 HydrophobicContact CG1-CD1 4.13Å; V116-L145 WeakPolarHBondContact O-CA 3.48Å; V116-M146 PolarHBondContact O-N 2.92Å
117	V	97.4	Very high	90.3	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.006	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	112.6	174.5	-178.3	0	0	0	0	107.2	P27 I28 V29 I30 M146 Y148 A876 A880 Y889	P27-V117 HydrophobicContact CB-CG2 4.4Å; I28-V117 PolarHBondContact O-N 2.84Å; V29-V117 CarbonylContact C-O 3.57Å; V29-V117 WeakPolarHBondContact CA-O 3.09Å; V29-V117 HydrophobicContact CG2-CB 4.39Å; I30-V117 PolarHBondContact N-O 3.47Å; V117-M146 CarbonylContact C-O 3.25Å; V117-M146 WeakPolarHBondContact CA-O 3.21Å; V117-M146 HydrophobicContact CB-CE 4.47Å; V117-M146 HydrophobicContact CG1-CE 3.95Å; V117-M146 HydrophobicContact CG2-CB 4.43Å; V117-M146 HydrophobicContact CG2-CE 3.67Å; V117-Y148 HydrophobicContact CG1-CD1 3.67Å; V117-Y148 HydrophobicContact CG1-CE1 4.05Å; V117-A876 HydrophobicContact CG1-CB 4.44Å; V117-A880 HydrophobicContact CG2-CB 3.9Å; V117-Y889 HydrophobicContact CG2-CE1 3.7Å; V117-Y889 VanDerWaalsContact CG2-OH 3.23Å; V117-Y889 WeakPolarHBondContact CG2-OH 3.42Å
118	I	97.7	Very high	90.8	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	143.6	-173	-168.8	165.4	0	0	0	111.4	I30 N32 M99 V116 L132 L136 L145 M146 Y147 Y148	I30-I118 HydrophobicContact CB-CB 4.43Å; I30-I118 HydrophobicContact CB-CD1 4.45Å; I30-I118 HydrophobicContact CB-CG1 4.12Å; I30-I118 HydrophobicContact CG2-CD1 4.27Å; I30-I118 HydrophobicContact CG2-CG1 4.25Å; I30-I118 VanDerWaalsContact O-CA 3.32Å; I30-I118 WeakPolarHBondContact O-CA 3.37Å; N32-I118 HydrophobicContact CB-CD1 4.41Å; N32-I118 HydrophobicContact CB-CG1 4.4Å; M99-I118 HydrophobicContact SD-CD1 4.27Å; V116-I118 HydrophobicContact CG1-CB 4.43Å; I118-L132 HydrophobicContact CD1-CD2 4.36Å; I118-L136 HydrophobicContact CD1-CD1 4.32Å; I118-L136 HydrophobicContact CG2-CD1 4.31Å; I118-L145 HydrophobicContact CG2-CD1 3.9Å; I118-M146 PolarHBondContact N-O 2.95Å; I118-Y147 HydrophobicContact CG2-CD1 3.58Å; I118-Y147 HydrophobicContact CG2-CE1 3.44Å; I118-Y147 VanDerWaalsContact CG2-CE1 3.44Å; I118-Y147 HydrophobicContact CG2-CG 4.39Å; I118-Y147 CarbonylContact O-C 3.19Å; I118-Y147 VanDerWaalsContact O-CA 3.27Å; I118-Y147 WeakPolarHBondContact O-CA 3.15Å; I118-Y148 VanDerWaalsContact C-CD1 3.45Å; I118-Y148 VanDerWaalsContact C-CE1 3.45Å; I118-Y148 VanDerWaalsContact O-CD1 3.25Å; I118-Y148 WeakPolarHBondContact O-CD1 3.27Å; I118-Y148 PolarHBondContact O-N 3.05Å
119	N	97.2	Very high	91.3	Very high	20 Å²	20	40.1 Å²	40.1	11%	0.107	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	164.5	177.8	77	-15.5	0	0	0	112.4	I30 D31 N32 Y148	I30-N119 PolarHBondContact O-N 3.3Å; D31-N119 PolarHBondContact OD1-ND2 2.87Å; N32-N119 VanDerWaalsContact C-ND2 3.32Å; N32-N119 WeakPolarHBondContact CA-OD1 3.2Å; N32-N119 VanDerWaalsContact CB-OD1 3.26Å; N32-N119 WeakPolarHBondContact CB-OD1 3.2Å; N32-N119 VanDerWaalsContact N-CG 3.25Å; N32-N119 PolarHBondContact N-ND2 3Å; N32-N119 PolarHBondContact N-OD1 3.48Å; N32-N119 PolarHBondContact O-ND2 3.41Å; N32-N119 PolarHBondContact O-OD1 3.43Å; N119-Y148 CarbonylContact C-O 3.58Å; N119-Y148 VanDerWaalsContact CA-O 3.23Å; N119-Y148 WeakPolarHBondContact CA-O 3.32Å; N119-Y148 HydrophobicContact CB-CD1 4.41Å; N119-Y148 HydrophobicContact CB-CD2 4.42Å; N119-Y148 HydrophobicContact CB-CE1 3.87Å; N119-Y148 HydrophobicContact CB-CE2 3.86Å; N119-Y148 VanDerWaalsContact N-CE1 3.31Å
120	E	95	Very high	92.2	Very high	16 Å²	16	32.8 Å²	32.8	8%	0.075	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	168.7	165.7	58.9	166.8	-166.2	0	0	111.6	N124 R129 Y147 Y148 N910	E120-N124 HydrophobicContact CB-CB 4.45Å; E120-N124 WeakPolarHBondContact OE2-CB 3.31Å; E120-N124 PolarHBondContact OE2-ND2 3.47Å; E120-R129 IonicContact OE1-CZ 2.67Å; E120-R129 IonicContact OE1-NE 2.65Å; E120-R129 IonicContact OE1-NH2 3.69Å; E120-R129 PolarHBondContact OE1-NH2 2.93Å; E120-R129 IonicContact OE2-CZ 3.81Å; E120-R129 VanDerWaalsContact OE2-CZ 3.27Å; E120-R129 IonicContact OE2-NE 2.69Å; E120-R129 PolarHBondContact OE2-NE 3.2Å; E120-R129 IonicContact OE2-NH2 3.23Å; E120-R129 PolarHBondContact OE2-NH2 3.06Å; E120-Y147 HydrophobicContact CB-CD1 4.15Å; E120-Y147 HydrophobicContact CG-CD1 4.18Å; E120-Y148 PolarHBondContact N-O 2.97Å; E120-N910 VanDerWaalsContact CD-ND2 3.32Å; E120-N910 PolarHBondContact OE1-ND2 2.92Å
121	V	93.9	Very high	93.2	Very high	21 Å²	21	29.2 Å²	29.2	13%	0.127	18%	0.181	C	C	.	.			trans	-75.6	146.8	179.1	175.7	0	0	0	0	111.5	N87 L88 C123 N124 N910	N87-V121 HydrophobicContact CB-CG2 4.15Å; N87-V121 WeakPolarHBondContact ND2-CG1 3.13Å; N87-V121 WeakPolarHBondContact ND2-CG2 3.4Å; N87-V121 WeakPolarHBondContact O-CG2 3.4Å; L88-V121 HydrophobicContact CD2-CB 4.28Å; L88-V121 HydrophobicContact CD2-CG1 4.37Å; L88-V121 HydrophobicContact CD2-CG2 4.24Å; V121-C123 PolarHBondContact O-N 2.7Å; V121-N124 WeakPolarHBondContact O-CB 3.2Å; V121-N124 PolarHBondContact O-N 2.87Å; V121-N124 VanDerWaalsContact O-N 3.11Å; V121-N910 PolarHBondContact O-ND2 3.32Å
122	L	92.7	Very high	93.9	Very high	9 Å²	9	25 Å²	25	5%	0.047	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	127	169.7	-169.1	78	0	0	0	111.1	V149 H181 V183 I201 A204 N910	L122-V149 HydrophobicContact CB-CG1 4.14Å; L122-V149 HydrophobicContact CD1-CG1 4.06Å; L122-H181 HydrophobicContact CD2-CB 4.42Å; L122-V183 HydrophobicContact CD1-CG2 4.42Å; L122-V183 HydrophobicContact CD2-CG2 3.54Å; L122-I201 HydrophobicContact CD1-CD1 3.94Å; L122-A204 HydrophobicContact CD2-CB 4.36Å; L122-N910 WeakPolarHBondContact CA-OD1 3.47Å
123	C	91.5	Very high	94.3	Very high	72 Å²	72	24.8 Å²	24.8	49%	0.486	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	44.8	-171	-57.9	0	0	0	0	113.5	V121 I201 N910	V121-C123 PolarHBondContact O-N 2.7Å; C123-I201 VanDerWaalsContact SG-CG2 3.52Å; C123-N910 PolarHBondContact N-OD1 3.08Å
124	N	92.8	Very high	94.6	Very high	13 Å²	13	25.9 Å²	25.9	7%	0.07	15%	0.152	C	C	.	.			trans	-52.6	127.6	175.7	-167.6	13.3	0	0	0	111.8	E120 V121 G126 Y912	E120-N124 HydrophobicContact CB-CB 4.45Å; E120-N124 WeakPolarHBondContact OE2-CB 3.31Å; E120-N124 PolarHBondContact OE2-ND2 3.47Å; V121-N124 WeakPolarHBondContact O-CB 3.2Å; V121-N124 PolarHBondContact O-N 2.87Å; V121-N124 VanDerWaalsContact O-N 3.11Å; N124-G126 PolarHBondContact O-N 2.89Å; N124-Y912 PolarHBondContact O-OH 3.26Å
125	P	92.4	Very high	94.9	Very high	57 Å²	57	26.4 Å²	26.4	37%	0.37	16%	0.155	S	C	.	.			trans	-58.2	134.8	173.1	-25.7	35.8	0	0	0	112	L88 V127 C128 R129	L88-P125 HydrophobicContact CD1-CG 4.09Å; L88-P125 HydrophobicContact CD2-CG 4.38Å; P125-V127 PolarHBondContact O-N 2.87Å; P125-V127 VanDerWaalsContact O-N 3.15Å; P125-C128 PolarHBondContact O-N 2.87Å; P125-C128 VanDerWaalsContact O-N 3.09Å; P125-R129 PolarHBondContact O-N 3.26Å
126	G	91.4	Very high	94.9	Very high	25 Å²	25	25.9 Å²	25.9	26%	0.258	15%	0.151	S	C	.	.	H	α-helix	trans	-55.7	-36.3	-176.2	0	0	0	0	0	113.7	N124 R129 S130 Y901	N124-G126 PolarHBondContact O-N 2.89Å; G126-R129 PolarHBondContact O-N 3.27Å; G126-S130 VanDerWaalsContact O-CB 3.22Å; G126-S130 WeakPolarHBondContact O-CB 3.4Å; G126-S130 PolarHBondContact O-N 2.79Å; G126-Y901 WeakPolarHBondContact O-CE1 3.4Å
127	V	93.7	Very high	94.9	Very high	82 Å²	82	25.9 Å²	25.9	50%	0.497	15%	0.151	S	C	.	.	H	α-helix	trans	-62.9	-46.6	177.8	-177.6	0	0	0	0	111.6	P125 R129 S130 Q131	P125-V127 PolarHBondContact O-N 2.87Å; P125-V127 VanDerWaalsContact O-N 3.15Å; V127-R129 VanDerWaalsContact C-N 3.34Å; V127-R129 PolarHBondContact O-N 2.72Å; V127-S130 WeakPolarHBondContact O-CB 3.48Å; V127-S130 PolarHBondContact O-N 3.48Å; V127-Q131 HydrophobicContact CG1-CG 4.48Å; V127-Q131 WeakPolarHBondContact O-CB 3.42Å; V127-Q131 WeakPolarHBondContact O-CG 3.28Å; V127-Q131 PolarHBondContact O-N 3.08Å
128	C	94.8	Very high	94.8	Very high	18 Å²	18	30.1 Å²	30.1	12%	0.122	17%	0.171	C	C	.	.	H	α-helix	trans	-62.1	-40.5	179.1	-65.4	0	0	0	0	111.8	P125 L132	P125-C128 PolarHBondContact O-N 2.87Å; P125-C128 VanDerWaalsContact O-N 3.09Å; C128-L132 WeakPolarHBondContact O-CB 3.24Å; C128-L132 PolarHBondContact O-N 2.85Å
129	R	94.2	Very high	94.6	Very high	9 Å²	9	33.6 Å²	33.6	3%	0.034	19%	0.192	C	C	.	.	H	α-helix	trans	-68.8	-45.6	172.9	-165.4	-165.6	-69.6	130.8	5.8	111.8	E120 P125 G126 V127 Q131 L132 T133 Y147 F903 Y912	E120-R129 IonicContact OE1-CZ 2.67Å; E120-R129 IonicContact OE1-NE 2.65Å; E120-R129 IonicContact OE1-NH2 3.69Å; E120-R129 PolarHBondContact OE1-NH2 2.93Å; E120-R129 IonicContact OE2-CZ 3.81Å; E120-R129 VanDerWaalsContact OE2-CZ 3.27Å; E120-R129 IonicContact OE2-NE 2.69Å; E120-R129 PolarHBondContact OE2-NE 3.2Å; E120-R129 IonicContact OE2-NH2 3.23Å; E120-R129 PolarHBondContact OE2-NH2 3.06Å; P125-R129 PolarHBondContact O-N 3.26Å; G126-R129 PolarHBondContact O-N 3.27Å; V127-R129 VanDerWaalsContact C-N 3.34Å; V127-R129 PolarHBondContact O-N 2.72Å; R129-Q131 VanDerWaalsContact C-N 3.25Å; R129-Q131 PolarHBondContact O-N 3.2Å; R129-L132 PolarHBondContact O-N 3.25Å; R129-T133 VanDerWaalsContact O-CB 3.23Å; R129-T133 WeakPolarHBondContact O-CB 3.43Å; R129-T133 PolarHBondContact O-N 2.88Å; R129-T133 PolarHBondContact O-OG1 3.38Å; R129-Y147 HydrophobicContact CG-CD1 4.43Å; R129-Y147 HydrophobicContact CG-CD2 3.99Å; R129-Y147 HydrophobicContact CG-CE1 4Å; R129-Y147 HydrophobicContact CG-CE2 3.51Å; R129-Y147 HydrophobicContact CG-CG 4.43Å; R129-F903 HydrophobicContact CG-CE2 4.12Å; R129-F903 HydrophobicContact CG-CZ 4.26Å; R129-Y912 VanDerWaalsContact NH1-CZ 3.31Å; R129-Y912 PolarHBondContact NH2-OH 3.49Å
130	S	94.8	Very high	94.5	Very high	10 Å²	10	32.8 Å²	32.8	7%	0.07	19%	0.187	C	C	.	.	H	α-helix	trans	-51.8	-47.4	-180	177.4	0	0	0	0	111	G126 V127 T133 E134 P900 Y901	G126-S130 VanDerWaalsContact O-CB 3.22Å; G126-S130 WeakPolarHBondContact O-CB 3.4Å; G126-S130 PolarHBondContact O-N 2.79Å; V127-S130 WeakPolarHBondContact O-CB 3.48Å; V127-S130 PolarHBondContact O-N 3.48Å; S130-T133 WeakPolarHBondContact O-CB 3.49Å; S130-T133 PolarHBondContact O-N 3.15Å; S130-E134 WeakPolarHBondContact O-CB 2.95Å; S130-E134 PolarHBondContact O-N 3.25Å; S130-P900 VanDerWaalsContact OG-CB 3.32Å; S130-P900 WeakPolarHBondContact OG-CB 3.37Å; S130-P900 VanDerWaalsContact OG-CG 3.26Å; S130-P900 WeakPolarHBondContact OG-CG 3.48Å; S130-Y901 WeakPolarHBondContact OG-CE2 3.45Å
131	Q	96.2	Very high	94.4	Very high	65 Å²	65	35.2 Å²	35.2	30%	0.304	20%	0.201	S	C	.	.	H	α-helix	trans	-68.1	-41.5	179.2	-72.2	175.6	-34.3	0	0	113.6	L92 V127 R129 T133 L135	L92-Q131 HydrophobicContact CD1-CB 3.72Å; L92-Q131 HydrophobicContact CD1-CG 4.03Å; L92-Q131 HydrophobicContact CD2-CB 3.82Å; L92-Q131 HydrophobicContact CG-CB 4.33Å; V127-Q131 HydrophobicContact CG1-CG 4.48Å; V127-Q131 WeakPolarHBondContact O-CB 3.42Å; V127-Q131 WeakPolarHBondContact O-CG 3.28Å; V127-Q131 PolarHBondContact O-N 3.08Å; R129-Q131 VanDerWaalsContact C-N 3.25Å; R129-Q131 PolarHBondContact O-N 3.2Å; Q131-T133 VanDerWaalsContact C-N 3.26Å; Q131-T133 PolarHBondContact O-N 3.23Å; Q131-L135 PolarHBondContact O-N 2.92Å; Q131-L135 VanDerWaalsContact O-N 3.15Å
132	L	96.3	Very high	94.5	Very high	6 Å²	6	34.2 Å²	34.2	3%	0.031	20%	0.195	C	C	.	.	H	α-helix	trans	-67.5	-29	174.3	-179.7	57	0	0	0	112.3	Q95 I118 C128 R129 L135 L136 Y147	Q95-L132 HydrophobicContact CG-CD1 3.91Å; I118-L132 HydrophobicContact CD1-CD2 4.36Å; C128-L132 WeakPolarHBondContact O-CB 3.24Å; C128-L132 PolarHBondContact O-N 2.85Å; R129-L132 PolarHBondContact O-N 3.25Å; L132-L135 HydrophobicContact CD1-CD2 4.37Å; L132-L136 HydrophobicContact CD1-CD1 4.25Å; L132-L136 HydrophobicContact CG-CD1 4.24Å; L132-L136 WeakPolarHBondContact O-CD1 3.11Å; L132-L136 VanDerWaalsContact O-CG 3.27Å; L132-L136 WeakPolarHBondContact O-CG 3.37Å; L132-L136 PolarHBondContact O-N 3.06Å; L132-Y147 HydrophobicContact CD2-CE1 3.95Å; L132-Y147 HydrophobicContact CG-CE1 4.4Å
133	T	96.3	Very high	94.5	Very high	1 Å²	1	36 Å²	36	1%	0.006	21%	0.207	C	C	.	.	H	α-helix	trans	-72.3	-47.6	177.6	-61.7	0	0	0	0	111.3	R129 S130 Q131 L135 L136 F137 L145 Y147 Y895 P900 F903	R129-T133 VanDerWaalsContact O-CB 3.23Å; R129-T133 WeakPolarHBondContact O-CB 3.43Å; R129-T133 PolarHBondContact O-N 2.88Å; R129-T133 PolarHBondContact O-OG1 3.38Å; S130-T133 WeakPolarHBondContact O-CB 3.49Å; S130-T133 PolarHBondContact O-N 3.15Å; Q131-T133 VanDerWaalsContact C-N 3.26Å; Q131-T133 PolarHBondContact O-N 3.23Å; T133-L135 VanDerWaalsContact C-N 3.34Å; T133-L135 PolarHBondContact O-N 3.26Å; T133-L136 PolarHBondContact O-N 3.22Å; T133-L136 VanDerWaalsContact O-N 3.14Å; T133-F137 HydrophobicContact CG2-CD2 3.58Å; T133-F137 HydrophobicContact CG2-CE2 3.81Å; T133-F137 PolarHBondContact O-N 2.91Å; T133-L145 HydrophobicContact CG2-CD2 4.37Å; T133-Y147 PolarHBondContact N-OH 3.3Å; T133-Y147 WeakPolarHBondContact OG1-CE2 3.36Å; T133-Y147 PolarHBondContact OG1-OH 2.95Å; T133-Y895 HydrophobicContact CG2-CD2 3.63Å; T133-Y895 HydrophobicContact CG2-CE2 3.88Å; T133-P900 HydrophobicContact CG2-CB 4.46Å; T133-F903 HydrophobicContact CG2-CE1 4.33Å; T133-F903 HydrophobicContact CG2-CZ 3.72Å; T133-F903 WeakPolarHBondContact OG1-CZ 3.32Å
134	E	96.3	Very high	94.7	Very high	102 Å²	102	34.9 Å²	34.9	48%	0.477	19%	0.194	S	C	.	.	H	α-helix	trans	-55.5	-48.1	173.6	-173.9	179.7	168.6	0	0	110.9	S130 L136 F137 E138	S130-E134 WeakPolarHBondContact O-CB 2.95Å; S130-E134 PolarHBondContact O-N 3.25Å; E134-L136 VanDerWaalsContact C-N 3.32Å; E134-L136 PolarHBondContact O-N 3.13Å; E134-F137 PolarHBondContact O-N 2.86Å; E134-E138 HydrophobicContact CG-CG 4.24Å; E134-E138 WeakPolarHBondContact O-CB 3.44Å; E134-E138 WeakPolarHBondContact O-CG 3.2Å; E134-E138 PolarHBondContact O-N 2.76Å
135	L	96.4	Very high	94.9	Very high	16 Å²	16	34.2 Å²	34.2	8%	0.084	19%	0.19	C	C	.	.	I	π-helix	trans	-56	-41.7	174.2	176.6	62.8	0	0	0	112.9	Q95 E96 Q131 L132 T133 T139 Y140	Q95-L135 HydrophobicContact CB-CD2 4.12Å; Q95-L135 HydrophobicContact CG-CD2 3.73Å; E96-L135 HydrophobicContact CB-CD1 3.97Å; E96-L135 HydrophobicContact CG-CD1 4.08Å; Q131-L135 PolarHBondContact O-N 2.92Å; Q131-L135 VanDerWaalsContact O-N 3.15Å; L132-L135 HydrophobicContact CD1-CD2 4.37Å; T133-L135 VanDerWaalsContact C-N 3.34Å; T133-L135 PolarHBondContact O-N 3.26Å; L135-T139 VanDerWaalsContact O-CB 3.24Å; L135-T139 WeakPolarHBondContact O-CB 3.31Å; L135-T139 PolarHBondContact O-N 3Å; L135-T139 PolarHBondContact O-OG1 3.19Å; L135-Y140 HydrophobicContact CD1-CE2 3.97Å; L135-Y140 HydrophobicContact CG-CE2 4.13Å; L135-Y140 WeakPolarHBondContact O-CD2 3.47Å
136	L	95.9	Very high	95	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.174	C	C	.	.	I	π-helix	trans	-77.6	-38	-177.7	-70.6	169.5	0	0	0	113.1	M99 F103 I118 L132 T133 E134 Y140 N141 V142 L145	M99-L136 HydrophobicContact SD-CD2 4.47Å; F103-L136 HydrophobicContact CZ-CD2 4.38Å; I118-L136 HydrophobicContact CD1-CD1 4.32Å; I118-L136 HydrophobicContact CG2-CD1 4.31Å; L132-L136 HydrophobicContact CD1-CD1 4.25Å; L132-L136 HydrophobicContact CG-CD1 4.24Å; L132-L136 WeakPolarHBondContact O-CD1 3.11Å; L132-L136 VanDerWaalsContact O-CG 3.27Å; L132-L136 WeakPolarHBondContact O-CG 3.37Å; L132-L136 PolarHBondContact O-N 3.06Å; T133-L136 PolarHBondContact O-N 3.22Å; T133-L136 VanDerWaalsContact O-N 3.14Å; E134-L136 VanDerWaalsContact C-N 3.32Å; E134-L136 PolarHBondContact O-N 3.13Å; L136-Y140 HydrophobicContact CD2-CD2 4.28Å; L136-N141 PolarHBondContact O-N 3.14Å; L136-V142 HydrophobicContact CB-CG2 4.22Å; L136-V142 HydrophobicContact CD2-CG2 4.38Å; L136-V142 WeakPolarHBondContact O-CB 3.47Å; L136-V142 VanDerWaalsContact O-CG2 3.28Å; L136-V142 WeakPolarHBondContact O-CG2 3.39Å; L136-V142 PolarHBondContact O-N 3.49Å; L136-V142 VanDerWaalsContact O-N 3.1Å; L136-L145 HydrophobicContact CB-CD2 4.26Å; L136-L145 HydrophobicContact CD1-CD1 3.76Å; L136-L145 HydrophobicContact CD1-CD2 3.99Å
137	F	96.2	Very high	95.2	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.163	C	C	.	.	I	π-helix	trans	-84.5	-35.2	-179.2	-78.8	-59.9	0	0	0	114.1	T133 E134 N141 V142 L145 T890 K892 Y895	T133-F137 HydrophobicContact CG2-CD2 3.58Å; T133-F137 HydrophobicContact CG2-CE2 3.81Å; T133-F137 PolarHBondContact O-N 2.91Å; E134-F137 PolarHBondContact O-N 2.86Å; F137-N141 VanDerWaalsContact O-CA 3.31Å; F137-N141 WeakPolarHBondContact O-CA 3.33Å; F137-V142 HydrophobicContact CD1-CB 4.5Å; F137-V142 WeakPolarHBondContact CD1-O 3.44Å; F137-V142 WeakPolarHBondContact CE1-O 3.44Å; F137-L145 HydrophobicContact CD2-CD2 4.3Å; F137-L145 HydrophobicContact CE1-CB 4.23Å; F137-L145 HydrophobicContact CE2-CB 3.91Å; F137-L145 HydrophobicContact CE2-CD2 3.8Å; F137-L145 HydrophobicContact CZ-CB 3.52Å; F137-L145 HydrophobicContact CZ-CD2 4.28Å; F137-T890 HydrophobicContact CE2-CG2 4.47Å; F137-T890 HydrophobicContact CZ-CG2 4.28Å; F137-K892 HydrophobicContact CB-CG 4.36Å; F137-K892 HydrophobicContact CD1-CB 3.72Å; F137-K892 HydrophobicContact CD1-CD 4.41Å; F137-K892 HydrophobicContact CD1-CG 3.71Å; F137-K892 HydrophobicContact CE1-CB 3.91Å; F137-K892 HydrophobicContact CE1-CG 4.37Å; F137-K892 HydrophobicContact CG-CG 4.31Å; F137-K892 WeakPolarHBondContact O-CE 3.26Å; F137-K892 PolarHBondContact O-NZ 2.67Å; F137-Y895 HydrophobicContact CB-CD1 3.78Å; F137-Y895 HydrophobicContact CB-CD2 4.38Å; F137-Y895 HydrophobicContact CB-CE1 3.72Å; F137-Y895 HydrophobicContact CB-CE2 4.29Å; F137-Y895 HydrophobicContact CB-CG 4.14Å; F137-Y895 AromaticContact CD2-CD1 3.96Å; F137-Y895 HydrophobicContact CD2-CD1 3.96Å; F137-Y895 AromaticContact CD2-CD2 3.47Å; F137-Y895 HydrophobicContact CD2-CD2 3.47Å; F137-Y895 VanDerWaalsContact CD2-CD2 3.47Å; F137-Y895 HydrophobicContact CD2-CE2 4.04Å; F137-Y895 AromaticContact CD2-CG 3.42Å; F137-Y895 HydrophobicContact CD2-CG 3.42Å; F137-Y895 VanDerWaalsContact CD2-CG 3.42Å; F137-Y895 HydrophobicContact CE2-CD2 4.04Å; F137-Y895 AromaticContact CE2-CG 3.89Å; F137-Y895 HydrophobicContact CE2-CG 3.89Å; F137-Y895 AromaticContact CG-CD1 3.88Å; F137-Y895 HydrophobicContact CG-CD1 3.88Å; F137-Y895 HydrophobicContact CG-CD2 4.2Å; F137-Y895 HydrophobicContact CG-CE1 4.32Å; F137-Y895 AromaticContact CG-CG 3.84Å; F137-Y895 HydrophobicContact CG-CG 3.84Å
138	E	94.8	Very high	95.3	Very high	91 Å²	91	27.1 Å²	27.1	43%	0.425	14%	0.14	S	C	.	.	I	π-helix	trans	-90.3	-49.4	-177.3	-53	-60.1	-173.7	0	0	112.8	E134 N141 K892 Y895	E134-E138 HydrophobicContact CG-CG 4.24Å; E134-E138 WeakPolarHBondContact O-CB 3.44Å; E134-E138 WeakPolarHBondContact O-CG 3.2Å; E134-E138 PolarHBondContact O-N 2.76Å; E138-N141 PolarHBondContact O-ND2 2.71Å; E138-K892 IonicContact OE2-NZ 3.85Å; E138-K892 PolarHBondContact OE2-NZ 3.25Å; E138-Y895 WeakPolarHBondContact CG-OH 3.3Å; E138-Y895 WeakPolarHBondContact OE1-CE1 3.14Å; E138-Y895 PolarHBondContact OE1-OH 2.91Å
139	T	94.5	Very high	95.4	Very high	72 Å²	72	26.3 Å²	26.3	44%	0.442	13%	0.134	S	C	.	.	I	π-helix	trans	-73.3	-54.2	-177.8	-45.9	0	0	0	0	110.9	L135	L135-T139 VanDerWaalsContact O-CB 3.24Å; L135-T139 WeakPolarHBondContact O-CB 3.31Å; L135-T139 PolarHBondContact O-N 3Å; L135-T139 PolarHBondContact O-OG1 3.19Å
140	Y	94.1	Very high	95.4	Very high	3 Å²	3	27.7 Å²	27.7	1%	0.012	14%	0.142	C	C	.	.	S	Bend	trans	-91.6	-9.8	-174.9	-59.8	-71.1	0	0	0	114.7	E96 M99 S100 F103 L135 L136 V142	E96-Y140 WeakPolarHBondContact CG-OH 3.42Å; E96-Y140 PolarHBondContact O-OH 3.38Å; M99-Y140 HydrophobicContact CB-CE2 3.65Å; M99-Y140 WeakPolarHBondContact CB-OH 3.41Å; M99-Y140 HydrophobicContact CG-CE2 4.39Å; S100-Y140 PolarHBondContact N-OH 3.05Å; S100-Y140 VanDerWaalsContact N-OH 3.16Å; S100-Y140 PolarHBondContact OG-OH 2.79Å; F103-Y140 AromaticContact CD2-CD1 3.67Å; F103-Y140 HydrophobicContact CD2-CD1 3.67Å; F103-Y140 AromaticContact CD2-CE1 3.84Å; F103-Y140 HydrophobicContact CD2-CE1 3.84Å; F103-Y140 HydrophobicContact CD2-CG 4.08Å; F103-Y140 AromaticContact CE2-CD1 3.8Å; F103-Y140 HydrophobicContact CE2-CD1 3.8Å; F103-Y140 AromaticContact CE2-CD2 3.95Å; F103-Y140 HydrophobicContact CE2-CD2 3.95Å; F103-Y140 HydrophobicContact CE2-CE1 4.13Å; F103-Y140 HydrophobicContact CE2-CE2 4.27Å; F103-Y140 AromaticContact CE2-CG 3.71Å; F103-Y140 HydrophobicContact CE2-CG 3.71Å; L135-Y140 HydrophobicContact CD1-CE2 3.97Å; L135-Y140 HydrophobicContact CG-CE2 4.13Å; L135-Y140 WeakPolarHBondContact O-CD2 3.47Å; L136-Y140 HydrophobicContact CD2-CD2 4.28Å; Y140-V142 VanDerWaalsContact C-N 3.27Å; Y140-V142 PolarHBondContact O-N 2.86Å
141	N	93.9	Very high	95.4	Very high	68 Å²	68	27.2 Å²	27.2	36%	0.364	14%	0.139	S	C	.	.			trans	53	43	-178.1	-70.3	-88.4	0	0	0	113.1	P111 L136 F137 E138 K892	P111-N141 HydrophobicContact CB-CB 4.19Å; L136-N141 PolarHBondContact O-N 3.14Å; F137-N141 VanDerWaalsContact O-CA 3.31Å; F137-N141 WeakPolarHBondContact O-CA 3.33Å; E138-N141 PolarHBondContact O-ND2 2.71Å; N141-K892 PolarHBondContact OD1-NZ 3.24Å
142	V	94.6	Very high	95.3	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.125	C	C	.	.			trans	-55.2	127.2	174.3	168.1	0	0	0	0	110	L112 V116 L136 F137 Y140 K144 L145	L112-V142 HydrophobicContact CD2-CG2 3.77Å; V116-V142 HydrophobicContact CB-CG1 3.96Å; V116-V142 HydrophobicContact CB-CG2 4.42Å; V116-V142 HydrophobicContact CG2-CG1 3.89Å; V116-V142 HydrophobicContact CG2-CG2 3.75Å; L136-V142 HydrophobicContact CB-CG2 4.22Å; L136-V142 HydrophobicContact CD2-CG2 4.38Å; L136-V142 WeakPolarHBondContact O-CB 3.47Å; L136-V142 VanDerWaalsContact O-CG2 3.28Å; L136-V142 WeakPolarHBondContact O-CG2 3.39Å; L136-V142 PolarHBondContact O-N 3.49Å; L136-V142 VanDerWaalsContact O-N 3.1Å; F137-V142 HydrophobicContact CD1-CB 4.5Å; F137-V142 WeakPolarHBondContact CD1-O 3.44Å; F137-V142 WeakPolarHBondContact CE1-O 3.44Å; Y140-V142 VanDerWaalsContact C-N 3.27Å; Y140-V142 PolarHBondContact O-N 2.86Å; V142-K144 WeakPolarHBondContact CG1-O 3.25Å; V142-L145 HydrophobicContact CG1-CB 4.26Å
143	P	94.1	Very high	95.2	Very high	45 Å²	45	23.9 Å²	23.9	29%	0.292	12%	0.123	S	C	.	.	S	Bend	trans	-77.7	-30.1	-175.1	28.8	-33.5	0	0	0	112.5	L112 N114 T891 K892	L112-P143 WeakPolarHBondContact O-CD 3.12Å; N114-P143 VanDerWaalsContact O-CD 3.32Å; N114-P143 WeakPolarHBondContact O-CD 3.18Å; P143-T891 WeakPolarHBondContact O-CA 3.3Å; P143-K892 PolarHBondContact O-N 3.03Å
144	K	95	Very high	95.2	Very high	49 Å²	49	23.8 Å²	23.8	21%	0.213	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	127.1	-175.8	-75	179.6	178.5	176	0	109.8	P115 V116 V142 E886 Y889 T890 T891	P115-K144 WeakPolarHBondContact CA-O 3.28Å; P115-K144 HydrophobicContact CB-CB 3.98Å; P115-K144 HydrophobicContact CG-CB 4.49Å; P115-K144 HydrophobicContact CG-CD 4.33Å; V116-K144 PolarHBondContact N-O 2.79Å; V142-K144 WeakPolarHBondContact CG1-O 3.25Å; K144-E886 IonicContact NZ-OE1 2.82Å; K144-E886 PolarHBondContact NZ-OE1 3.21Å; K144-E886 IonicContact NZ-OE2 3.54Å; K144-E886 PolarHBondContact NZ-OE2 3.4Å; K144-Y889 HydrophobicContact CB-CD1 3.81Å; K144-Y889 HydrophobicContact CB-CG 3.97Å; K144-Y889 HydrophobicContact CD-CD2 4.41Å; K144-Y889 HydrophobicContact CD-CG 4.29Å; K144-T890 CarbonylContact C-O 3.6Å; K144-T890 WeakPolarHBondContact CA-O 3.42Å; K144-T891 HydrophobicContact CG-CG2 4.31Å
145	L	96	Very high	95	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	139.7	-180	-176.1	58.8	0	0	0	111	V116 I118 T133 L136 F137 V142 Y147 T890	V116-L145 HydrophobicContact CB-CD1 4.18Å; V116-L145 HydrophobicContact CG1-CD1 4.13Å; V116-L145 WeakPolarHBondContact O-CA 3.48Å; I118-L145 HydrophobicContact CG2-CD1 3.9Å; T133-L145 HydrophobicContact CG2-CD2 4.37Å; L136-L145 HydrophobicContact CB-CD2 4.26Å; L136-L145 HydrophobicContact CD1-CD1 3.76Å; L136-L145 HydrophobicContact CD1-CD2 3.99Å; F137-L145 HydrophobicContact CD2-CD2 4.3Å; F137-L145 HydrophobicContact CE1-CB 4.23Å; F137-L145 HydrophobicContact CE2-CB 3.91Å; F137-L145 HydrophobicContact CE2-CD2 3.8Å; F137-L145 HydrophobicContact CZ-CB 3.52Å; F137-L145 HydrophobicContact CZ-CD2 4.28Å; V142-L145 HydrophobicContact CG1-CB 4.26Å; L145-Y147 HydrophobicContact CD2-CE2 3.7Å; L145-Y147 HydrophobicContact CG-CE2 4.1Å; L145-T890 PolarHBondContact N-O 3.1Å; L145-T890 PolarHBondContact O-N 3.41Å
146	M	95.6	Very high	94.8	Very high	4 Å²	4	19.5 Å²	19.5	2%	0.02	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	128	172.5	-178.6	168.7	64.1	0	0	110.1	V116 V117 I118 F879 A885 Y889	V116-M146 PolarHBondContact O-N 2.92Å; V117-M146 CarbonylContact C-O 3.25Å; V117-M146 WeakPolarHBondContact CA-O 3.21Å; V117-M146 HydrophobicContact CB-CE 4.47Å; V117-M146 HydrophobicContact CG1-CE 3.95Å; V117-M146 HydrophobicContact CG2-CB 4.43Å; V117-M146 HydrophobicContact CG2-CE 3.67Å; I118-M146 PolarHBondContact N-O 2.95Å; M146-F879 HydrophobicContact CE-CD1 3.74Å; M146-F879 HydrophobicContact CE-CE1 3.9Å; M146-F879 HydrophobicContact SD-CD1 4.13Å; M146-F879 HydrophobicContact SD-CE1 3.64Å; M146-A885 HydrophobicContact CE-CB 4.38Å; M146-Y889 HydrophobicContact CB-CD1 3.6Å; M146-Y889 HydrophobicContact CB-CE1 3.76Å; M146-Y889 HydrophobicContact CB-CG 4.36Å; M146-Y889 HydrophobicContact CE-CE1 4.21Å; M146-Y889 HydrophobicContact CE-CE2 4.49Å
147	Y	96.1	Very high	94.6	Very high	9 Å²	9	20.5 Å²	20.5	4%	0.035	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	148.8	174	-75.1	-79	0	0	0	111.2	I118 E120 R129 L132 T133 L145 F903 H906	I118-Y147 HydrophobicContact CG2-CD1 3.58Å; I118-Y147 HydrophobicContact CG2-CE1 3.44Å; I118-Y147 VanDerWaalsContact CG2-CE1 3.44Å; I118-Y147 HydrophobicContact CG2-CG 4.39Å; I118-Y147 CarbonylContact O-C 3.19Å; I118-Y147 VanDerWaalsContact O-CA 3.27Å; I118-Y147 WeakPolarHBondContact O-CA 3.15Å; E120-Y147 HydrophobicContact CB-CD1 4.15Å; E120-Y147 HydrophobicContact CG-CD1 4.18Å; R129-Y147 HydrophobicContact CG-CD1 4.43Å; R129-Y147 HydrophobicContact CG-CD2 3.99Å; R129-Y147 HydrophobicContact CG-CE1 4Å; R129-Y147 HydrophobicContact CG-CE2 3.51Å; R129-Y147 HydrophobicContact CG-CG 4.43Å; L132-Y147 HydrophobicContact CD2-CE1 3.95Å; L132-Y147 HydrophobicContact CG-CE1 4.4Å; T133-Y147 PolarHBondContact N-OH 3.3Å; T133-Y147 WeakPolarHBondContact OG1-CE2 3.36Å; T133-Y147 PolarHBondContact OG1-OH 2.95Å; L145-Y147 HydrophobicContact CD2-CE2 3.7Å; L145-Y147 HydrophobicContact CG-CE2 4.1Å; Y147-F903 AromaticContact CD2-CD1 3.83Å; Y147-F903 HydrophobicContact CD2-CD1 3.83Å; Y147-F903 AromaticContact CD2-CE1 3.64Å; Y147-F903 HydrophobicContact CD2-CE1 3.64Å; Y147-F903 HydrophobicContact CD2-CG 4.48Å; Y147-F903 HydrophobicContact CD2-CZ 4.16Å; Y147-F903 HydrophobicContact CE2-CD1 4.16Å; Y147-F903 AromaticContact CE2-CE1 3.48Å; Y147-F903 HydrophobicContact CE2-CE1 3.48Å; Y147-F903 VanDerWaalsContact CE2-CE1 3.48Å; Y147-F903 AromaticContact CE2-CZ 3.71Å; Y147-F903 HydrophobicContact CE2-CZ 3.71Å; Y147-H906 PolarHBondContact O-CE1 2.62Å; Y147-H906 VanDerWaalsContact O-CE1 3.24Å; Y147-H906 PolarHBondContact O-NE2 3.37Å
148	Y	95.6	Very high	94.4	Very high	2 Å²	2	21.3 Å²	21.3	1%	0.008	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	155	171.4	74.8	-88	0	0	0	112.4	V29 D31 V117 I118 N119 E120 A153 A876 L908	V29-Y148 HydrophobicContact CG1-CE1 4.42Å; D31-Y148 WeakPolarHBondContact CB-OH 3.44Å; V117-Y148 HydrophobicContact CG1-CD1 3.67Å; V117-Y148 HydrophobicContact CG1-CE1 4.05Å; I118-Y148 VanDerWaalsContact C-CD1 3.45Å; I118-Y148 VanDerWaalsContact C-CE1 3.45Å; I118-Y148 VanDerWaalsContact O-CD1 3.25Å; I118-Y148 WeakPolarHBondContact O-CD1 3.27Å; I118-Y148 PolarHBondContact O-N 3.05Å; N119-Y148 CarbonylContact C-O 3.58Å; N119-Y148 VanDerWaalsContact CA-O 3.23Å; N119-Y148 WeakPolarHBondContact CA-O 3.32Å; N119-Y148 HydrophobicContact CB-CD1 4.41Å; N119-Y148 HydrophobicContact CB-CD2 4.42Å; N119-Y148 HydrophobicContact CB-CE1 3.87Å; N119-Y148 HydrophobicContact CB-CE2 3.86Å; N119-Y148 VanDerWaalsContact N-CE1 3.31Å; E120-Y148 PolarHBondContact N-O 2.97Å; Y148-A153 HydrophobicContact CD2-CB 3.6Å; Y148-A153 HydrophobicContact CE2-CB 3.9Å; Y148-A876 HydrophobicContact CD1-CB 3.8Å; Y148-A876 HydrophobicContact CD2-CB 3.88Å; Y148-A876 HydrophobicContact CE1-CB 3.48Å; Y148-A876 VanDerWaalsContact CE1-CB 3.48Å; Y148-A876 HydrophobicContact CE2-CB 3.58Å; Y148-A876 HydrophobicContact CG-CB 3.97Å; Y148-L908 CarbonylContact C-O 3.55Å; Y148-L908 WeakPolarHBondContact CA-O 3.41Å
149	V	95.5	Very high	94.1	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	128.6	173.2	-170.8	0	0	0	0	109.5	L122 C151 L152 A153 L908	L122-V149 HydrophobicContact CB-CG1 4.14Å; L122-V149 HydrophobicContact CD1-CG1 4.06Å; V149-C151 VanDerWaalsContact C-N 3.31Å; V149-C151 PolarHBondContact O-N 2.96Å; V149-L152 HydrophobicContact CB-CB 4.4Å; V149-L152 HydrophobicContact CB-CD1 4.03Å; V149-L152 HydrophobicContact CB-CG 4.1Å; V149-L152 HydrophobicContact CG1-CG 4.49Å; V149-L152 HydrophobicContact CG2-CD1 4.23Å; V149-L152 PolarHBondContact O-N 3Å; V149-A153 PolarHBondContact O-N 3.33Å; V149-L908 PolarHBondContact N-O 3.1Å
150	D	95.2	Very high	93.7	Very high	39 Å²	39	22.8 Å²	22.8	21%	0.209	11%	0.106	C	C	.	.	H	α-helix	trans	-49.3	-46.8	-175.3	67.5	-28.5	0	0	0	113.7	S154 A872	D150-S154 WeakPolarHBondContact O-CB 3.41Å; D150-S154 PolarHBondContact O-N 3.23Å; D150-A872 HydrophobicContact CB-CB 4.09Å; D150-A872 VanDerWaalsContact O-CB 3.3Å; D150-A872 WeakPolarHBondContact O-CB 3.43Å
151	C	94.6	Very high	93.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-73.8	-36.1	-174.7	67.9	0	0	0	0	113	V149 S154 Y155 L172 S174 T830	V149-C151 VanDerWaalsContact C-N 3.31Å; V149-C151 PolarHBondContact O-N 2.96Å; C151-S154 PolarHBondContact O-N 3.38Å; C151-Y155 PolarHBondContact O-N 3.05Å; C151-L172 HydrophobicContact CB-CD1 4.18Å; C151-L172 HydrophobicContact CB-CD2 3.77Å; C151-L172 HydrophobicContact CB-CG 4.16Å; C151-L172 WeakPolarHBondContact O-CD2 3.41Å; C151-S174 VanDerWaalsContact CB-CB 3.44Å; C151-T830 HydrophobicContact CB-CG2 4.22Å
152	L	94.4	Very high	92.5	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-69.6	-41.3	176.3	-59.9	-178.6	0	0	0	110.4	V149 Y155 Y156 L172 I185 L197 P199 L908	V149-L152 HydrophobicContact CB-CB 4.4Å; V149-L152 HydrophobicContact CB-CD1 4.03Å; V149-L152 HydrophobicContact CB-CG 4.1Å; V149-L152 HydrophobicContact CG1-CG 4.49Å; V149-L152 HydrophobicContact CG2-CD1 4.23Å; V149-L152 PolarHBondContact O-N 3Å; L152-Y155 PolarHBondContact O-N 3.23Å; L152-Y156 WeakPolarHBondContact O-CB 3.33Å; L152-Y156 PolarHBondContact O-N 3.32Å; L152-L172 HydrophobicContact CD2-CD2 3.97Å; L152-I185 HydrophobicContact CD2-CD1 4.38Å; L152-L197 HydrophobicContact CD2-CD2 4.42Å; L152-P199 HydrophobicContact CD1-CG 4.13Å; L152-P199 HydrophobicContact CD2-CB 3.96Å; L152-P199 HydrophobicContact CD2-CG 4.09Å; L152-L908 HydrophobicContact CB-CB 4.45Å; L152-L908 HydrophobicContact CB-CD2 4.29Å
153	A	94.8	Very high	91.1	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-62.5	-44.7	173.9	0	0	0	0	0	112	Y148 V149 Y155 Y156 N157 A872 G875 A876 L908	Y148-A153 HydrophobicContact CD2-CB 3.6Å; Y148-A153 HydrophobicContact CE2-CB 3.9Å; V149-A153 PolarHBondContact O-N 3.33Å; A153-Y155 PolarHBondContact O-N 3.34Å; A153-Y156 WeakPolarHBondContact O-CB 3.49Å; A153-Y156 PolarHBondContact O-N 3.16Å; A153-N157 PolarHBondContact O-N 2.9Å; A153-A872 WeakPolarHBondContact CB-O 3.23Å; A153-G875 WeakPolarHBondContact O-CA 3.4Å; A153-A876 HydrophobicContact CB-CB 4.34Å; A153-L908 HydrophobicContact CB-CD1 4.36Å
154	S	95.1	Very high	90	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-58	-49.3	176.1	-172.3	0	0	0	0	112.3	D150 C151 Y156 N157 F158 Y828 T830 D871	D150-S154 WeakPolarHBondContact O-CB 3.41Å; D150-S154 PolarHBondContact O-N 3.23Å; C151-S154 PolarHBondContact O-N 3.38Å; S154-Y156 VanDerWaalsContact C-N 3.32Å; S154-Y156 PolarHBondContact O-N 3.05Å; S154-N157 WeakPolarHBondContact O-CB 3.46Å; S154-N157 PolarHBondContact O-N 2.72Å; S154-F158 PolarHBondContact O-N 3.16Å; S154-F158 VanDerWaalsContact O-N 3.12Å; S154-Y828 PolarHBondContact O-OH 3.1Å; S154-Y828 PolarHBondContact OG-OH 3.25Å; S154-T830 VanDerWaalsContact CB-OG1 3.31Å; S154-T830 WeakPolarHBondContact CB-OG1 3.42Å; S154-T830 PolarHBondContact OG-OG1 2.9Å; S154-D871 VanDerWaalsContact OG-CB 3.3Å; S154-D871 WeakPolarHBondContact OG-CB 3.4Å
155	Y	93.3	Very high	88.9	Confident	3 Å²	3	38.5 Å²	38.5	1%	0.012	20%	0.195	C	C	.	.	H	α-helix	trans	-64.4	-33.5	176.5	-177	-104.5	0	0	0	113.1	C151 L152 A153 F158 Q159 C170 I185 L197 Y828	C151-Y155 PolarHBondContact O-N 3.05Å; L152-Y155 PolarHBondContact O-N 3.23Å; A153-Y155 PolarHBondContact O-N 3.34Å; Y155-F158 HydrophobicContact CD2-CD1 4.01Å; Y155-F158 AromaticContact CE2-CD1 3.89Å; Y155-F158 HydrophobicContact CE2-CD1 3.89Å; Y155-F158 HydrophobicContact CE2-CE1 4.21Å; Y155-F158 WeakPolarHBondContact O-CB 3.49Å; Y155-F158 PolarHBondContact O-N 2.81Å; Y155-Q159 HydrophobicContact CD1-CG 4.1Å; Y155-Q159 HydrophobicContact CE1-CG 3.64Å; Y155-Q159 HydrophobicContact CE2-CG 4.39Å; Y155-Q159 PolarHBondContact O-N 3.22Å; Y155-C170 HydrophobicContact CE2-CB 3.99Å; Y155-C170 VanDerWaalsContact CE2-SG 3.52Å; Y155-C170 WeakPolarHBondContact OH-CB 3.48Å; Y155-I185 HydrophobicContact CD1-CD1 3.61Å; Y155-I185 HydrophobicContact CE1-CD1 3.86Å; Y155-I185 HydrophobicContact CE1-CG2 4.18Å; Y155-I185 HydrophobicContact CG-CD1 4.04Å; Y155-L197 HydrophobicContact CD1-CD1 4.38Å; Y155-L197 HydrophobicContact CD1-CD2 3.95Å; Y155-L197 HydrophobicContact CD1-CG 4.27Å; Y155-L197 HydrophobicContact CE1-CD2 4.32Å; Y155-L197 HydrophobicContact CE1-CG 4.47Å; Y155-Y828 AromaticContact CD2-CD1 3.88Å; Y155-Y828 HydrophobicContact CD2-CD1 3.88Å; Y155-Y828 HydrophobicContact CD2-CD2 4.27Å; Y155-Y828 HydrophobicContact CD2-CE1 4.41Å; Y155-Y828 AromaticContact CD2-CG 3.76Å; Y155-Y828 HydrophobicContact CD2-CG 3.76Å; Y155-Y828 HydrophobicContact CE2-CG 4.42Å
156	Y	91.5	Very high	87.6	Confident	25 Å²	25	41.6 Å²	41.6	10%	0.098	22%	0.216	C	C	.	.	H	α-helix	trans	-64.5	-37	171	173.3	-111.9	0	0	0	112.7	L152 A153 S154 F158 R160 L195 L197 H878 F879 L908	L152-Y156 WeakPolarHBondContact O-CB 3.33Å; L152-Y156 PolarHBondContact O-N 3.32Å; A153-Y156 WeakPolarHBondContact O-CB 3.49Å; A153-Y156 PolarHBondContact O-N 3.16Å; S154-Y156 VanDerWaalsContact C-N 3.32Å; S154-Y156 PolarHBondContact O-N 3.05Å; Y156-F158 VanDerWaalsContact C-N 3.32Å; Y156-F158 PolarHBondContact O-N 3.24Å; Y156-R160 VanDerWaalsContact O-CB 3.3Å; Y156-R160 WeakPolarHBondContact O-CB 3.45Å; Y156-R160 PolarHBondContact O-N 3.42Å; Y156-L195 HydrophobicContact CD2-CD2 4.01Å; Y156-L195 HydrophobicContact CE2-CD2 3.35Å; Y156-L197 HydrophobicContact CD2-CD1 4.34Å; Y156-H878 HydrophobicContact CE1-CB 4.24Å; Y156-F879 HydrophobicContact CD1-CB 4.24Å; Y156-F879 HydrophobicContact CE1-CB 3.9Å; Y156-F879 HydrophobicContact CE1-CD2 4.33Å; Y156-L908 HydrophobicContact CD1-CD1 4.04Å; Y156-L908 HydrophobicContact CG-CD1 4.33Å; Y156-L908 HydrophobicContact CG-CD2 4.13Å
157	N	92.3	Very high	86.4	Confident	21 Å²	21	45.5 Å²	45.5	11%	0.112	24%	0.237	C	C	.	.	H	α-helix	trans	-61.2	-44.4	173.1	-161	44	0	0	0	111	A153 S154 R160 S161 D871 H878	A153-N157 PolarHBondContact O-N 2.9Å; S154-N157 WeakPolarHBondContact O-CB 3.46Å; S154-N157 PolarHBondContact O-N 2.72Å; N157-R160 PolarHBondContact O-N 3.14Å; N157-S161 WeakPolarHBondContact O-CB 3.32Å; N157-S161 PolarHBondContact O-N 3.32Å; N157-D871 PolarHBondContact ND2-OD1 2.79Å; N157-H878 PolarHBondContact OD1-CD2 2.85Å; N157-H878 VanDerWaalsContact OD1-CD2 3.27Å
158	F	91.5	Very high	85.6	Confident	16 Å²	16	45.3 Å²	45.3	7%	0.07	24%	0.237	C	C	.	.	H	α-helix	trans	-61.2	-53.2	175.4	167.3	-103	0	0	0	112.8	S154 Y155 Y156 R160 S161 E162 T164 Y828 I863	S154-F158 PolarHBondContact O-N 3.16Å; S154-F158 VanDerWaalsContact O-N 3.12Å; Y155-F158 HydrophobicContact CD2-CD1 4.01Å; Y155-F158 AromaticContact CE2-CD1 3.89Å; Y155-F158 HydrophobicContact CE2-CD1 3.89Å; Y155-F158 HydrophobicContact CE2-CE1 4.21Å; Y155-F158 WeakPolarHBondContact O-CB 3.49Å; Y155-F158 PolarHBondContact O-N 2.81Å; Y156-F158 VanDerWaalsContact C-N 3.32Å; Y156-F158 PolarHBondContact O-N 3.24Å; F158-R160 PolarHBondContact O-N 3.2Å; F158-R160 VanDerWaalsContact O-N 3.15Å; F158-S161 PolarHBondContact O-N 3.48Å; F158-E162 HydrophobicContact CD2-CB 4.38Å; F158-E162 HydrophobicContact CD2-CG 4.12Å; F158-E162 HydrophobicContact CE2-CB 3.93Å; F158-E162 HydrophobicContact CE2-CG 3.83Å; F158-E162 WeakPolarHBondContact CE2-OE2 3.4Å; F158-E162 HydrophobicContact CZ-CB 4.39Å; F158-E162 PolarHBondContact O-N 3.01Å; F158-T164 HydrophobicContact CZ-CG2 4.08Å; F158-Y828 HydrophobicContact CB-CD2 4.23Å; F158-Y828 HydrophobicContact CB-CE2 3.4Å; F158-Y828 VanDerWaalsContact CB-CE2 3.4Å; F158-Y828 AromaticContact CD1-CD2 3.9Å; F158-Y828 HydrophobicContact CD1-CD2 3.9Å; F158-Y828 AromaticContact CD1-CE2 3.93Å; F158-Y828 HydrophobicContact CD1-CE2 3.93Å; F158-Y828 HydrophobicContact CD2-CD2 4.26Å; F158-Y828 AromaticContact CD2-CE2 3.78Å; F158-Y828 HydrophobicContact CD2-CE2 3.78Å; F158-Y828 HydrophobicContact CE1-CD2 4.38Å; F158-Y828 AromaticContact CG-CD2 3.84Å; F158-Y828 HydrophobicContact CG-CD2 3.84Å; F158-Y828 AromaticContact CG-CE2 3.4Å; F158-Y828 HydrophobicContact CG-CE2 3.4Å; F158-I863 HydrophobicContact CD2-CG2 4.36Å; F158-I863 HydrophobicContact CE1-CD1 4.23Å; F158-I863 HydrophobicContact CE2-CD1 4.08Å; F158-I863 HydrophobicContact CE2-CG2 3.86Å; F158-I863 HydrophobicContact CZ-CD1 3.49Å; F158-I863 VanDerWaalsContact CZ-CD1 3.49Å; F158-I863 HydrophobicContact CZ-CG2 4.24Å
159	Q	87.9	Confident	85.2	Confident	45 Å²	45	45.9 Å²	45.9	21%	0.21	24%	0.24	C	C	.	.	H	α-helix	trans	-58.3	-27.9	177.3	-76.4	-171.9	-49.4	0	0	113.4	Y155 V196	Y155-Q159 HydrophobicContact CD1-CG 4.1Å; Y155-Q159 HydrophobicContact CE1-CG 3.64Å; Y155-Q159 HydrophobicContact CE2-CG 4.39Å; Y155-Q159 PolarHBondContact O-N 3.22Å; Q159-V196 PolarHBondContact NE2-O 2.9Å
160	R	86.1	Confident	84.9	Confident	150 Å²	150	46 Å²	46	57%	0.566	24%	0.241	S	C	*	.	H	α-helix	trans	-78.6	-36.9	175.3	176.2	-174.7	166.8	77	14.3	112.5	Y156 N157 F158	Y156-R160 VanDerWaalsContact O-CB 3.3Å; Y156-R160 WeakPolarHBondContact O-CB 3.45Å; Y156-R160 PolarHBondContact O-N 3.42Å; N157-R160 PolarHBondContact O-N 3.14Å; F158-R160 PolarHBondContact O-N 3.2Å; F158-R160 VanDerWaalsContact O-N 3.15Å
161	S	85.2	Confident	84.9	Confident	97 Å²	97	44.3 Å²	44.3	68%	0.678	23%	0.232	S	C	*	.	H	α-helix	trans	-82.1	-42.8	-175.3	-171.7	0	0	0	0	112.3	N157 F158	N157-S161 WeakPolarHBondContact O-CB 3.32Å; N157-S161 PolarHBondContact O-N 3.32Å; F158-S161 PolarHBondContact O-N 3.48Å
162	E	77.7	Confident	84.9	Confident	102 Å²	102	44.3 Å²	44.3	48%	0.477	23%	0.232	S	C	.	.	S	Bend	trans	-104.9	118.8	179.9	-58.8	-141	143.9	0	0	110.5	F158 T164	F158-E162 HydrophobicContact CD2-CB 4.38Å; F158-E162 HydrophobicContact CD2-CG 4.12Å; F158-E162 HydrophobicContact CE2-CB 3.93Å; F158-E162 HydrophobicContact CE2-CG 3.83Å; F158-E162 WeakPolarHBondContact CE2-OE2 3.4Å; F158-E162 HydrophobicContact CZ-CB 4.39Å; F158-E162 PolarHBondContact O-N 3.01Å; E162-T164 HydrophobicContact CB-CG2 3.98Å; E162-T164 PolarHBondContact O-N 2.86Å; E162-T164 PolarHBondContact O-OG1 2.96Å
163	N	65	Low	85.1	Confident	177 Å²	177	44.3 Å²	44.3	95%	0.947	23%	0.232	S	C	*	.			trans	-73.8	57.8	178.8	-168.7	35.4	0	0	0	111.5
164	T	70.9	Confident	85.2	Confident	36 Å²	36	44.3 Å²	44.3	22%	0.221	23%	0.232	C	C	.	.			trans	-81.8	158.7	178.6	50	0	0	0	0	110.8	F158 E162 P166	F158-T164 HydrophobicContact CZ-CG2 4.08Å; E162-T164 HydrophobicContact CB-CG2 3.98Å; E162-T164 PolarHBondContact O-N 2.86Å; E162-T164 PolarHBondContact O-OG1 2.96Å; T164-P166 VanDerWaalsContact O-CD 3.28Å; T164-P166 WeakPolarHBondContact O-CD 3.35Å; T164-P166 VanDerWaalsContact O-N 3.11Å
165	D	71.9	Confident	85.2	Confident	82 Å²	82	44.4 Å²	44.4	44%	0.439	23%	0.232	S	C	.	.			trans	-56.5	117.5	177.6	-175.6	-2.2	0	0	0	110.7	N167 A168 R826	D165-N167 PolarHBondContact O-N 3.43Å; D165-N167 WeakPolarHBondContact OD1-CB 3.27Å; D165-N167 PolarHBondContact OD1-N 2.86Å; D165-N167 PolarHBondContact OD1-ND2 2.66Å; D165-N167 VanDerWaalsContact OD1-ND2 3.16Å; D165-A168 HydrophobicContact CB-CB 4.47Å; D165-A168 PolarHBondContact O-N 3.38Å; D165-R826 PolarHBondContact O-NH2 2.89Å
166	P	69.3	Low	85.2	Confident	66 Å²	66	45.2 Å²	45.2	43%	0.429	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-10.8	178.9	31.1	-36.8	0	0	0	112.9	T164 S187 V196	T164-P166 VanDerWaalsContact O-CD 3.28Å; T164-P166 WeakPolarHBondContact O-CD 3.35Å; T164-P166 VanDerWaalsContact O-N 3.11Å; P166-S187 VanDerWaalsContact O-CB 3.26Å; P166-S187 WeakPolarHBondContact O-CB 3.4Å; P166-S187 PolarHBondContact O-OG 3.49Å; P166-V196 HydrophobicContact CB-CG2 4.47Å
167	N	70.5	Confident	85.4	Confident	86 Å²	86	47.4 Å²	47.4	46%	0.46	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-8.8	-179.8	-55.7	-56.9	0	0	0	113.8	D165 S187	D165-N167 PolarHBondContact O-N 3.43Å; D165-N167 WeakPolarHBondContact OD1-CB 3.27Å; D165-N167 PolarHBondContact OD1-N 2.86Å; D165-N167 PolarHBondContact OD1-ND2 2.66Å; D165-N167 VanDerWaalsContact OD1-ND2 3.16Å; N167-S187 WeakPolarHBondContact CA-OG 3.38Å; N167-S187 WeakPolarHBondContact O-CB 3.48Å
168	A	80	Confident	85.5	Confident	5 Å²	5	47.7 Å²	47.7	4%	0.041	25%	0.251	C	S	.	.	S	Bend	trans	-80.4	121.1	-178.4	0	0	0	0	0	112.2	D165 Q825	D165-A168 HydrophobicContact CB-CB 4.47Å; D165-A168 PolarHBondContact O-N 3.38Å; A168-Q825 HydrophobicContact CB-CB 4.49Å; A168-Q825 VanDerWaalsContact CB-OE1 3.27Å
169	N	86.2	Confident	85.6	Confident	14 Å²	14	47.9 Å²	47.9	8%	0.075	25%	0.251	C	S	.	.			trans	-61.9	135.5	175.6	-68	-21.1	0	0	0	111.3	I186 S187 P824 Q825 R826	N169-I186 WeakPolarHBondContact OD1-CA 3.35Å; N169-S187 PolarHBondContact OD1-N 2.65Å; N169-P824 WeakPolarHBondContact O-CA 3.27Å; N169-Q825 PolarHBondContact O-N 2.69Å; N169-R826 PolarHBondContact O-N 3.18Å
170	C	90.5	Very high	86	Confident	3 Å²	3	45.8 Å²	45.8	2%	0.02	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	140.8	-174.9	-171.4	0	0	0	0	112	Y155 I185 R826	Y155-C170 HydrophobicContact CE2-CB 3.99Å; Y155-C170 VanDerWaalsContact CE2-SG 3.52Å; Y155-C170 WeakPolarHBondContact OH-CB 3.48Å; C170-I185 PolarHBondContact N-O 3.41Å; C170-I185 PolarHBondContact O-N 3.06Å; C170-I185 VanDerWaalsContact O-O 3.14Å; C170-R826 CarbonylContact C-O 3.58Å; C170-R826 WeakPolarHBondContact CA-O 3.44Å
171	L	93.9	Very high	86.5	Confident	2 Å²	2	39 Å²	39	1%	0.01	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	108.6	170.1	-168.6	60.9	0	0	0	109.8	I182 P184 L804 V807 L808 P824 R826 I827 Y828 I847	L171-I182 HydrophobicContact CD1-CG2 3.62Å; L171-I182 HydrophobicContact CD2-CG2 4.36Å; L171-I182 HydrophobicContact CG-CG2 4.01Å; L171-P184 HydrophobicContact CD1-CB 4.17Å; L171-L804 HydrophobicContact CD2-CD2 3.54Å; L171-V807 HydrophobicContact CD1-CG1 3.76Å; L171-L808 HydrophobicContact CD2-CD2 4.34Å; L171-P824 HydrophobicContact CB-CB 3.94Å; L171-P824 HydrophobicContact CB-CG 4.03Å; L171-P824 HydrophobicContact CD2-CG 4.45Å; L171-R826 PolarHBondContact N-O 3.39Å; L171-I827 HydrophobicContact CB-CG1 4.45Å; L171-I827 HydrophobicContact CB-CG2 4.37Å; L171-I827 CarbonylContact O-C 3.59Å; L171-I827 VanDerWaalsContact O-CA 3.29Å; L171-I827 WeakPolarHBondContact O-CA 3.14Å; L171-I827 VanDerWaalsContact O-CG2 3.29Å; L171-I827 WeakPolarHBondContact O-CG2 3.35Å; L171-Y828 PolarHBondContact O-N 3.35Å; L171-I847 HydrophobicContact CD2-CD1 4.14Å
172	L	95.5	Very high	87.1	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	124.8	178.3	166.6	63.2	0	0	0	109.7	C151 L152 I182 V183 I185 Y828 T830	C151-L172 HydrophobicContact CB-CD1 4.18Å; C151-L172 HydrophobicContact CB-CD2 3.77Å; C151-L172 HydrophobicContact CB-CG 4.16Å; C151-L172 WeakPolarHBondContact O-CD2 3.41Å; L152-L172 HydrophobicContact CD2-CD2 3.97Å; L172-I182 CarbonylContact O-C 3.46Å; L172-I182 WeakPolarHBondContact O-CA 3.45Å; L172-V183 HydrophobicContact CB-CB 4.27Å; L172-V183 WeakPolarHBondContact CB-O 3.24Å; L172-V183 HydrophobicContact CD2-CB 4.27Å; L172-V183 HydrophobicContact CG-CB 4.42Å; L172-V183 PolarHBondContact N-O 2.83Å; L172-V183 PolarHBondContact O-N 2.78Å; L172-I185 HydrophobicContact CB-CD1 3.85Å; L172-I185 HydrophobicContact CB-CG1 4.4Å; L172-I185 HydrophobicContact CD2-CD1 3.76Å; L172-I185 HydrophobicContact CG-CD1 4.46Å; L172-Y828 HydrophobicContact CD1-CD1 3.68Å; L172-Y828 HydrophobicContact CD1-CE1 4.35Å; L172-T830 HydrophobicContact CD1-CG2 3.7Å
173	I	97.4	Very high	87.9	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	113.4	174.3	-48.6	-179.8	0	0	0	108.7	F175 T180 H181 I182 L800 L804 I827 Y828 L829 T830 I843	I173-F175 HydrophobicContact CB-CE2 4.22Å; I173-F175 HydrophobicContact CG2-CD2 4.19Å; I173-F175 HydrophobicContact CG2-CE1 4.17Å; I173-F175 HydrophobicContact CG2-CE2 3.56Å; I173-F175 HydrophobicContact CG2-CZ 3.55Å; I173-T180 HydrophobicContact CG2-CG2 4.15Å; I173-H181 CarbonylContact C-O 3.58Å; I173-H181 WeakPolarHBondContact CA-O 3.39Å; I173-I182 HydrophobicContact CG1-CG2 4.43Å; I173-L800 HydrophobicContact CG2-CD1 4.24Å; I173-L804 HydrophobicContact CD1-CD2 3.9Å; I173-I827 HydrophobicContact CD1-CG2 3.68Å; I173-I827 HydrophobicContact CG1-CG2 3.98Å; I173-Y828 PolarHBondContact N-O 3Å; I173-L829 HydrophobicContact CB-CD2 3.87Å; I173-L829 HydrophobicContact CD1-CD2 3.84Å; I173-L829 HydrophobicContact CG1-CD2 4.1Å; I173-L829 WeakPolarHBondContact O-CA 3.31Å; I173-T830 PolarHBondContact O-N 3.26Å; I173-I843 HydrophobicContact CD1-CD1 4.49Å
174	S	97	Very high	89.2	Confident	1 Å²	1	21.4 Å²	21.4	1%	0.007	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	112.2	178.1	-170.5	0	0	0	0	111.2	C151 G176 T180 H181 T830	C151-S174 VanDerWaalsContact CB-CB 3.44Å; S174-G176 PolarHBondContact O-N 3.02Å; S174-T180 CarbonylContact O-C 3.55Å; S174-T180 VanDerWaalsContact O-CA 3.3Å; S174-T180 WeakPolarHBondContact O-CA 3.36Å; S174-H181 PolarHBondContact N-O 3.36Å; S174-H181 PolarHBondContact O-N 2.87Å; S174-T830 WeakPolarHBondContact CA-O 3.49Å
175	F	96.4	Very high	90.1	Very high	2 Å²	2	20 Å²	20	1%	0.009	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	85	176.9	-62.6	-84.7	0	0	0	110.7	I173 T180 L787 L800 L829 T830 G832 V833 A834 L839 I843	I173-F175 HydrophobicContact CB-CE2 4.22Å; I173-F175 HydrophobicContact CG2-CD2 4.19Å; I173-F175 HydrophobicContact CG2-CE1 4.17Å; I173-F175 HydrophobicContact CG2-CE2 3.56Å; I173-F175 HydrophobicContact CG2-CZ 3.55Å; F175-T180 HydrophobicContact CD1-CG2 3.54Å; F175-T180 HydrophobicContact CE1-CG2 3.76Å; F175-T180 HydrophobicContact CG-CG2 4.22Å; F175-L787 HydrophobicContact CD1-CD1 4.32Å; F175-L787 HydrophobicContact CE1-CD1 4.38Å; F175-L800 HydrophobicContact CE1-CD1 4.46Å; F175-L800 HydrophobicContact CE1-CD2 4.01Å; F175-L800 HydrophobicContact CZ-CD2 3.92Å; F175-L829 HydrophobicContact CE2-CD2 4.33Å; F175-T830 PolarHBondContact N-O 3.34Å; F175-G832 PolarHBondContact O-N 3.43Å; F175-V833 HydrophobicContact CB-CB 3.66Å; F175-V833 HydrophobicContact CB-CG2 3.92Å; F175-V833 HydrophobicContact CD1-CB 4.47Å; F175-V833 HydrophobicContact CG-CB 4.14Å; F175-A834 HydrophobicContact CD2-CB 4.22Å; F175-L839 HydrophobicContact CD2-CD2 4.37Å; F175-L839 HydrophobicContact CE2-CD2 3.88Å; F175-L839 HydrophobicContact CZ-CD1 4.19Å; F175-L839 HydrophobicContact CZ-CD2 4.1Å; F175-I843 HydrophobicContact CE2-CD1 4.47Å; F175-I843 HydrophobicContact CZ-CD1 4.11Å
176	G	93.5	Very high	90.6	Very high	20 Å²	20	16.5 Å²	16.5	21%	0.206	9%	0.09	C	C	.	.			trans	-74.6	174.9	174.6	0	0	0	0	0	113.4	S174 R179 G211	S174-G176 PolarHBondContact O-N 3.02Å; G176-R179 VanDerWaalsContact CA-O 3.23Å; G176-R179 WeakPolarHBondContact CA-O 3.19Å; G176-R179 PolarHBondContact N-O 3.18Å; G176-R179 VanDerWaalsContact N-O 3.07Å; G176-G211 PolarHBondContact O-N 2.81Å
177	Y	94.4	Very high	90.7	Very high	70 Å²	70	14.1 Å²	14.1	28%	0.275	8%	0.075	S	C	.	.	S	Bend	trans	-63.1	-51.7	-175.9	-175.3	-125.2	0	0	0	112.6	Y35 G210 G211 A212	Y35-Y177 AromaticContact CD2-CD2 3.77Å; Y35-Y177 HydrophobicContact CD2-CD2 3.77Å; Y35-Y177 HydrophobicContact CD2-CE1 4.27Å; Y35-Y177 AromaticContact CD2-CE2 3.4Å; Y35-Y177 HydrophobicContact CD2-CE2 3.4Å; Y35-Y177 HydrophobicContact CD2-CG 4.38Å; Y35-Y177 AromaticContact CD2-CZ 3.68Å; Y35-Y177 AromaticContact CE2-CE2 3.98Å; Y35-Y177 HydrophobicContact CE2-CE2 3.98Å; Y35-Y177 HydrophobicContact CG-CD2 4.09Å; Y35-Y177 HydrophobicContact CG-CE2 4.18Å; Y35-Y177 HydrophobicContact CG-CG 4.5Å; Y177-G210 CarbonylContact O-C 3.37Å; Y177-G211 PolarHBondContact O-N 2.81Å; Y177-A212 HydrophobicContact CD1-CB 4Å; Y177-A212 HydrophobicContact CD2-CB 3.84Å; Y177-A212 HydrophobicContact CE1-CB 3.74Å; Y177-A212 HydrophobicContact CE2-CB 3.55Å; Y177-A212 HydrophobicContact CG-CB 4.04Å; Y177-A212 VanDerWaalsContact CZ-CB 3.49Å; Y177-A212 WeakPolarHBondContact O-CB 3.23Å; Y177-A212 PolarHBondContact O-N 3.1Å
178	Q	94.2	Very high	90.4	Very high	27 Å²	27	13.9 Å²	13.9	13%	0.126	7%	0.073	C	C	.	.	S	Bend	trans	-105	-19.2	174.3	-65.8	127.5	-56.9	0	0	114.5	N34 D86 H208 T209 A212 H213	N34-Q178 VanDerWaalsContact ND2-CD 3.25Å; N34-Q178 PolarHBondContact ND2-NE2 2.86Å; N34-Q178 PolarHBondContact ND2-OE1 2.83Å; D86-Q178 VanDerWaalsContact CA-NE2 3.32Å; D86-Q178 VanDerWaalsContact O-CD 3.27Å; D86-Q178 PolarHBondContact O-NE2 2.89Å; D86-Q178 PolarHBondContact O-OE1 2.92Å; D86-Q178 VanDerWaalsContact O-OE1 3.06Å; Q178-H208 CarbonylContact O-C 3.58Å; Q178-T209 CarbonylContact O-C 3.58Å; Q178-A212 HydrophobicContact CG-CB 3.99Å; Q178-H213 PolarHBondContact O-CE1 2.82Å; Q178-H213 PolarHBondContact O-ND1 2.9Å
179	R	94.9	Very high	89.1	Confident	20 Å²	20	18.4 Å²	18.4	8%	0.075	10%	0.104	C	C	.	.			trans	-133.5	132	-167.7	-58.4	-58.6	-179.4	-118.1	7.8	110.8	D86 N87 G176 R206 L207 H208 T209	D86-R179 IonicContact OD1-CZ 3.75Å; D86-R179 IonicContact OD1-NH1 2.76Å; D86-R179 IonicContact OD1-NH2 3.23Å; D86-R179 PolarHBondContact OD1-NH2 3.23Å; D86-R179 IonicContact OD2-CZ 2.75Å; D86-R179 IonicContact OD2-NH2 3.72Å; D86-R179 PolarHBondContact OD2-NH2 3.08Å; N87-R179 HydrophobicContact CB-CG 4.21Å; N87-R179 WeakPolarHBondContact OD1-CG 3.32Å; G176-R179 VanDerWaalsContact CA-O 3.23Å; G176-R179 WeakPolarHBondContact CA-O 3.19Å; G176-R179 PolarHBondContact N-O 3.18Å; G176-R179 VanDerWaalsContact N-O 3.07Å; R179-R206 HydrophobicContact CB-CG 4.26Å; R179-L207 WeakPolarHBondContact CA-O 3.14Å; R179-H208 PolarHBondContact NE-CD2 3.4Å; R179-H208 VanDerWaalsContact NE-CD2 3.34Å; R179-H208 PolarHBondContact NH1-O 2.83Å; R179-T209 CarbonylContact C-O 3.34Å
180	T	96.5	Very high	87.3	Confident	1 Å²	1	25 Å²	25	1%	0.006	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	130.2	174.7	-56.5	0	0	0	0	108.9	I173 S174 F175 R206 L207 T209 L800	I173-T180 HydrophobicContact CG2-CG2 4.15Å; S174-T180 CarbonylContact O-C 3.55Å; S174-T180 VanDerWaalsContact O-CA 3.3Å; S174-T180 WeakPolarHBondContact O-CA 3.36Å; F175-T180 HydrophobicContact CD1-CG2 3.54Å; F175-T180 HydrophobicContact CE1-CG2 3.76Å; F175-T180 HydrophobicContact CG-CG2 4.22Å; T180-R206 CarbonylContact O-C 3.52Å; T180-R206 WeakPolarHBondContact O-CA 3.44Å; T180-L207 PolarHBondContact N-O 3.47Å; T180-L207 PolarHBondContact O-N 3.19Å; T180-T209 PolarHBondContact N-O 2.83Å; T180-T209 PolarHBondContact OG1-O 3.26Å; T180-L800 HydrophobicContact CG2-CD1 4.1Å
181	H	96.7	Very high	85.4	Confident	9 Å²	9	28.5 Å²	28.5	4%	0.042	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	131.4	-177.8	-57.5	89.2	0	0	0	110.3	L122 I173 S174 R205	L122-H181 HydrophobicContact CD2-CB 4.42Å; I173-H181 CarbonylContact C-O 3.58Å; I173-H181 WeakPolarHBondContact CA-O 3.39Å; S174-H181 PolarHBondContact N-O 3.36Å; S174-H181 PolarHBondContact O-N 2.87Å; H181-R205 CarbonylContact C-O 3.35Å; H181-R205 WeakPolarHBondContact CA-O 3.37Å
182	I	96.9	Very high	83.4	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	122.7	171.4	-49.2	173.4	0	0	0	107.5	L171 L172 I173 A204 R205 L207 L800 C803 L804 V807	L171-I182 HydrophobicContact CD1-CG2 3.62Å; L171-I182 HydrophobicContact CD2-CG2 4.36Å; L171-I182 HydrophobicContact CG-CG2 4.01Å; L172-I182 CarbonylContact O-C 3.46Å; L172-I182 WeakPolarHBondContact O-CA 3.45Å; I173-I182 HydrophobicContact CG1-CG2 4.43Å; I182-A204 CarbonylContact O-C 3.42Å; I182-A204 VanDerWaalsContact O-CA 3.22Å; I182-A204 WeakPolarHBondContact O-CA 3.47Å; I182-A204 WeakPolarHBondContact O-CB 3.4Å; I182-R205 PolarHBondContact N-O 2.96Å; I182-R205 PolarHBondContact O-N 3.18Å; I182-L207 HydrophobicContact CD1-CD1 4.08Å; I182-L207 HydrophobicContact CG1-CD1 4.24Å; I182-L800 HydrophobicContact CD1-CD1 3.95Å; I182-L800 HydrophobicContact CG1-CD1 4.2Å; I182-C803 HydrophobicContact CD1-CB 3.69Å; I182-L804 HydrophobicContact CD1-CD2 4.16Å; I182-L804 HydrophobicContact CD1-CG 4.43Å; I182-L804 HydrophobicContact CG2-CD2 4.37Å; I182-V807 HydrophobicContact CB-CG2 4.03Å; I182-V807 HydrophobicContact CD1-CG2 4.36Å; I182-V807 HydrophobicContact CG2-CB 4.26Å; I182-V807 HydrophobicContact CG2-CG1 4.05Å; I182-V807 HydrophobicContact CG2-CG2 3.84Å
183	V	94.7	Very high	81.2	Confident	1 Å²	1	39.9 Å²	39.9	1%	0.006	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	112	-176.6	-176.3	0	0	0	0	109.4	L122 L172 I185 P199 A204	L122-V183 HydrophobicContact CD1-CG2 4.42Å; L122-V183 HydrophobicContact CD2-CG2 3.54Å; L172-V183 HydrophobicContact CB-CB 4.27Å; L172-V183 WeakPolarHBondContact CB-O 3.24Å; L172-V183 HydrophobicContact CD2-CB 4.27Å; L172-V183 HydrophobicContact CG-CB 4.42Å; L172-V183 PolarHBondContact N-O 2.83Å; L172-V183 PolarHBondContact O-N 2.78Å; V183-I185 HydrophobicContact CG1-CG1 4.36Å; V183-P199 HydrophobicContact CG1-CB 3.65Å; V183-A204 HydrophobicContact CG2-CB 4.35Å
184	P	93	Very high	79.1	Confident	5 Å²	5	43.9 Å²	43.9	3%	0.032	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	128.9	170.1	26.2	-27.5	0	0	0	110.1	L171 I186 L200 A203 V807 T811	L171-P184 HydrophobicContact CD1-CB 4.17Å; P184-I186 HydrophobicContact CB-CD1 4.47Å; P184-L200 HydrophobicContact CG-CB 4.17Å; P184-L200 PolarHBondContact O-N 3.22Å; P184-A203 HydrophobicContact CG-CB 3.65Å; P184-V807 HydrophobicContact CB-CG1 4.2Å; P184-V807 HydrophobicContact CG-CG1 3.82Å; P184-T811 HydrophobicContact CB-CG2 4.17Å; P184-T811 WeakPolarHBondContact CB-OG1 3.45Å; P184-T811 WeakPolarHBondContact CG-OG1 3.29Å
185	I	89.3	Confident	77.3	Confident	6 Å²	6	44.9 Å²	44.9	3%	0.031	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	118.1	176.6	-59	174.3	0	0	0	107.6	L152 Y155 C170 L172 V183 L197 P199	L152-I185 HydrophobicContact CD2-CD1 4.38Å; Y155-I185 HydrophobicContact CD1-CD1 3.61Å; Y155-I185 HydrophobicContact CE1-CD1 3.86Å; Y155-I185 HydrophobicContact CE1-CG2 4.18Å; Y155-I185 HydrophobicContact CG-CD1 4.04Å; C170-I185 PolarHBondContact N-O 3.41Å; C170-I185 PolarHBondContact O-N 3.06Å; C170-I185 VanDerWaalsContact O-O 3.14Å; L172-I185 HydrophobicContact CB-CD1 3.85Å; L172-I185 HydrophobicContact CB-CG1 4.4Å; L172-I185 HydrophobicContact CD2-CD1 3.76Å; L172-I185 HydrophobicContact CG-CD1 4.46Å; V183-I185 HydrophobicContact CG1-CG1 4.36Å; I185-L197 HydrophobicContact CD1-CD2 3.97Å; I185-L197 HydrophobicContact CG2-CD2 4.07Å; I185-P199 HydrophobicContact CG1-CB 4.41Å
186	I	81.4	Confident	75.7	Confident	9 Å²	9	47 Å²	47	5%	0.046	27%	0.268	C	S	.	.			trans	-109.2	135	-177.1	-64	111.8	0	0	0	109.1	N169 P184 L188 N198 L200 T811 L815	N169-I186 WeakPolarHBondContact OD1-CA 3.35Å; P184-I186 HydrophobicContact CB-CD1 4.47Å; I186-L188 HydrophobicContact CG2-CD2 4.34Å; I186-N198 PolarHBondContact N-O 2.94Å; I186-L200 HydrophobicContact CD1-CB 3.47Å; I186-L200 VanDerWaalsContact CD1-CB 3.47Å; I186-L200 HydrophobicContact CD1-CD2 3.65Å; I186-L200 HydrophobicContact CD1-CG 4.17Å; I186-T811 HydrophobicContact CD1-CG2 4.21Å; I186-L815 HydrophobicContact CD1-CD1 3.79Å; I186-L815 HydrophobicContact CG1-CD1 3.66Å; I186-L815 HydrophobicContact CG2-CD1 4.33Å
187	S	72.5	Confident	74.9	Confident	15 Å²	15	46.4 Å²	46.4	11%	0.105	26%	0.26	C	S	.	.			trans	-80.6	124.6	171.1	-163	0	0	0	0	109.9	P166 N167 N169 V196	P166-S187 VanDerWaalsContact O-CB 3.26Å; P166-S187 WeakPolarHBondContact O-CB 3.4Å; P166-S187 PolarHBondContact O-OG 3.49Å; N167-S187 WeakPolarHBondContact CA-OG 3.38Å; N167-S187 WeakPolarHBondContact O-CB 3.48Å; N169-S187 PolarHBondContact OD1-N 2.65Å; S187-V196 WeakPolarHBondContact OG-CG1 3.29Å
188	L	63.3	Low	74.3	Confident	81 Å²	81	44.8 Å²	44.8	42%	0.424	26%	0.256	S	S	.	.			trans	-107.4	111.7	171.8	-68.4	-179	0	0	0	108.1	I186 N190 N198	I186-L188 HydrophobicContact CG2-CD2 4.34Å; L188-N190 PolarHBondContact O-N 3.49Å; L188-N198 WeakPolarHBondContact CD1-ND2 3.25Å
189	C	52.9	Low	74.1	Confident	101 Å²	101	43.8 Å²	43.8	68%	0.682	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-2.3	-170	-43.7	0	0	0	0	115.7
190	N	48.6	Very low	73.7	Confident	153 Å²	153	44.1 Å²	44.1	82%	0.818	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.8	27.4	-158.7	-65.1	-5.7	0	0	0	113.9	L188	L188-N190 PolarHBondContact O-N 3.49Å
191	T	51.3	Low	73.4	Confident	75 Å²	75	46.1 Å²	46.1	46%	0.46	27%	0.265	S	S	.	.			trans	-116.2	118.9	175	54.6	0	0	0	0	111.4	T193	T191-T193 WeakPolarHBondContact CB-OG1 3.48Å; T191-T193 PolarHBondContact O-N 2.78Å; T191-T193 PolarHBondContact OG1-OG1 2.89Å
192	D	50.6	Low	73	Confident	176 Å²	176	50.8 Å²	50.8	94%	0.941	29%	0.287	S	S	*	.			trans	-65.2	0.9	177.2	-64.4	-52.2	0	0	0	114.4
193	T	50.9	Low	72.7	Confident	65 Å²	65	50.8 Å²	50.8	40%	0.399	29%	0.287	S	S	.	.	S	Bend	trans	-71.4	126.6	171.3	48.4	0	0	0	0	110.5	T191 L195	T191-T193 WeakPolarHBondContact CB-OG1 3.48Å; T191-T193 PolarHBondContact O-N 2.78Å; T191-T193 PolarHBondContact OG1-OG1 2.89Å; T193-L195 PolarHBondContact O-N 2.87Å
194	P	52.2	Low	72.6	Confident	84 Å²	84	51.4 Å²	51.4	55%	0.545	29%	0.292	S	S	.	.	S	Bend	trans	-72.7	18.8	-177.5	31.8	-37.4	0	0	0	114.3	Y884	P194-Y884 HydrophobicContact CG-CD2 4.45Å; P194-Y884 HydrophobicContact CG-CE1 4.1Å; P194-Y884 HydrophobicContact CG-CE2 3.83Å
195	L	59.3	Low	72.7	Confident	23 Å²	23	54.7 Å²	54.7	12%	0.12	30%	0.304	C	S	.	.			trans	-131.4	95.2	-177	-67.6	172.3	0	0	0	108.1	Y156 T193 L197 F879 P907	Y156-L195 HydrophobicContact CD2-CD2 4.01Å; Y156-L195 HydrophobicContact CE2-CD2 3.35Å; T193-L195 PolarHBondContact O-N 2.87Å; L195-L197 PolarHBondContact O-N 3.23Å; L195-F879 HydrophobicContact CD1-CD2 4.4Å; L195-F879 HydrophobicContact CD1-CE2 3.7Å; L195-P907 HydrophobicContact CB-CB 4.34Å; L195-P907 HydrophobicContact CB-CG 4.02Å; L195-P907 HydrophobicContact CD1-CG 3.92Å
196	V	62.9	Low	73	Confident	46 Å²	46	60.1 Å²	60.1	28%	0.279	32%	0.324	S	S	.	.			trans	-81.4	66	-175.9	-167.2	0	0	0	0	109.7	Q159 P166 S187	Q159-V196 PolarHBondContact NE2-O 2.9Å; P166-V196 HydrophobicContact CB-CG2 4.47Å; S187-V196 WeakPolarHBondContact OG-CG1 3.29Å
197	L	76.9	Confident	73.6	Confident	7 Å²	7	59.9 Å²	59.9	4%	0.037	32%	0.323	C	S	.	.			trans	-132.9	91.7	-172.4	-115.9	165.7	0	0	0	110.5	L152 Y155 Y156 I185 L195 P199 P907 L908	L152-L197 HydrophobicContact CD2-CD2 4.42Å; Y155-L197 HydrophobicContact CD1-CD1 4.38Å; Y155-L197 HydrophobicContact CD1-CD2 3.95Å; Y155-L197 HydrophobicContact CD1-CG 4.27Å; Y155-L197 HydrophobicContact CE1-CD2 4.32Å; Y155-L197 HydrophobicContact CE1-CG 4.47Å; Y156-L197 HydrophobicContact CD2-CD1 4.34Å; I185-L197 HydrophobicContact CD1-CD2 3.97Å; I185-L197 HydrophobicContact CG2-CD2 4.07Å; L195-L197 PolarHBondContact O-N 3.23Å; L197-P199 WeakPolarHBondContact O-CD 3.3Å; L197-P907 HydrophobicContact CB-CB 4.09Å; L197-L908 HydrophobicContact CD1-CD2 3.77Å
198	N	82	Confident	74.6	Confident	37 Å²	37	62.1 Å²	62.1	20%	0.198	33%	0.331	C	S	.	.			trans	-120.5	84.4	179.9	-176	56.6	0	0	0	110.7	I186 L188 L200 R911	I186-N198 PolarHBondContact N-O 2.94Å; L188-N198 WeakPolarHBondContact CD1-ND2 3.25Å; N198-L200 PolarHBondContact O-N 3.24Å; N198-R911 VanDerWaalsContact OD1-CZ 3.29Å; N198-R911 PolarHBondContact OD1-NH1 3.05Å; N198-R911 PolarHBondContact OD1-NH2 2.68Å
199	P	88.6	Confident	76	Confident	5 Å²	5	58.3 Å²	58.3	3%	0.032	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-71.9	125.6	175.7	29.3	-34	0	0	0	110.8	L152 V183 I185 L197 I201	L152-P199 HydrophobicContact CD1-CG 4.13Å; L152-P199 HydrophobicContact CD2-CB 3.96Å; L152-P199 HydrophobicContact CD2-CG 4.09Å; V183-P199 HydrophobicContact CG1-CB 3.65Å; I185-P199 HydrophobicContact CG1-CB 4.41Å; L197-P199 WeakPolarHBondContact O-CD 3.3Å; P199-I201 VanDerWaalsContact C-N 3.32Å; P199-I201 HydrophobicContact CB-CD1 3.99Å; P199-I201 HydrophobicContact CG-CD1 4.14Å; P199-I201 PolarHBondContact O-N 3.26Å
200	L	88	Confident	78	Confident	28 Å²	28	53.5 Å²	53.5	15%	0.147	28%	0.279	C	S	.	.			trans	-85	77	178.1	-179.6	66.5	0	0	0	109.9	P184 I186 N198 Q202 A203 A204 T811 L814	P184-L200 HydrophobicContact CG-CB 4.17Å; P184-L200 PolarHBondContact O-N 3.22Å; I186-L200 HydrophobicContact CD1-CB 3.47Å; I186-L200 VanDerWaalsContact CD1-CB 3.47Å; I186-L200 HydrophobicContact CD1-CD2 3.65Å; I186-L200 HydrophobicContact CD1-CG 4.17Å; N198-L200 PolarHBondContact O-N 3.24Å; L200-Q202 PolarHBondContact O-N 3.24Å; L200-Q202 VanDerWaalsContact O-N 3.08Å; L200-A203 HydrophobicContact CD2-CB 3.79Å; L200-A203 HydrophobicContact CG-CB 3.96Å; L200-A203 PolarHBondContact O-N 2.78Å; L200-A204 PolarHBondContact O-N 2.76Å; L200-T811 HydrophobicContact CD2-CG2 4.26Å; L200-L814 HydrophobicContact CD1-CD1 4.16Å; L200-L814 HydrophobicContact CD2-CB 3.98Å; L200-L814 HydrophobicContact CD2-CD1 3.96Å; L200-L814 HydrophobicContact CG-CD1 4.18Å
201	I	88.8	Confident	80.1	Confident	43 Å²	43	46.4 Å²	46.4	22%	0.221	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-33.3	-175.9	-54	-59.7	0	0	0	113	L122 C123 P199 A203 A204	L122-I201 HydrophobicContact CD1-CD1 3.94Å; C123-I201 VanDerWaalsContact SG-CG2 3.52Å; P199-I201 VanDerWaalsContact C-N 3.32Å; P199-I201 HydrophobicContact CB-CD1 3.99Å; P199-I201 HydrophobicContact CG-CD1 4.14Å; P199-I201 PolarHBondContact O-N 3.26Å; I201-A203 VanDerWaalsContact C-N 3.31Å; I201-A203 PolarHBondContact O-N 2.79Å; I201-A204 WeakPolarHBondContact O-CB 3.38Å; I201-A204 PolarHBondContact O-N 2.71Å
202	Q	88.1	Confident	82.1	Confident	106 Å²	106	43.6 Å²	43.6	50%	0.495	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-30.9	178	-67.3	179.1	-13.1	0	0	113.7	L200 L814 W913	L200-Q202 PolarHBondContact O-N 3.24Å; L200-Q202 VanDerWaalsContact O-N 3.08Å; Q202-L814 HydrophobicContact CB-CD1 3.84Å; Q202-W913 VanDerWaalsContact NE2-CH2 3.28Å; Q202-W913 VanDerWaalsContact NE2-CZ2 3.29Å
203	A	90.8	Very high	84.2	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-10.1	176	0	0	0	0	0	112.9	P184 L200 I201 R205 V807 D810 T811 L814	P184-A203 HydrophobicContact CG-CB 3.65Å; L200-A203 HydrophobicContact CD2-CB 3.79Å; L200-A203 HydrophobicContact CG-CB 3.96Å; L200-A203 PolarHBondContact O-N 2.78Å; I201-A203 VanDerWaalsContact C-N 3.31Å; I201-A203 PolarHBondContact O-N 2.79Å; A203-R205 PolarHBondContact O-NH1 3.1Å; A203-V807 WeakPolarHBondContact O-CG2 3.38Å; A203-D810 HydrophobicContact CB-CB 4.42Å; A203-T811 WeakPolarHBondContact CB-OG1 3.45Å; A203-L814 HydrophobicContact CB-CD1 4.14Å
204	A	93.2	Very high	86.3	Confident	14 Å²	14	34 Å²	34	12%	0.116	17%	0.171	C	C	.	.			trans	-63.1	158.2	179.6	0	0	0	0	0	112.4	L122 I182 V183 L200 I201	L122-A204 HydrophobicContact CD2-CB 4.36Å; I182-A204 CarbonylContact O-C 3.42Å; I182-A204 VanDerWaalsContact O-CA 3.22Å; I182-A204 WeakPolarHBondContact O-CA 3.47Å; I182-A204 WeakPolarHBondContact O-CB 3.4Å; V183-A204 HydrophobicContact CG2-CB 4.35Å; L200-A204 PolarHBondContact O-N 2.76Å; I201-A204 WeakPolarHBondContact O-CB 3.38Å; I201-A204 PolarHBondContact O-N 2.71Å
205	R	95.1	Very high	88.3	Confident	75 Å²	75	30.3 Å²	30.3	28%	0.283	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	152.2	175.1	-69.5	-61.7	-176.2	-82.1	-2.9	111.6	H181 I182 A203 V807 D810	H181-R205 CarbonylContact C-O 3.35Å; H181-R205 WeakPolarHBondContact CA-O 3.37Å; I182-R205 PolarHBondContact N-O 2.96Å; I182-R205 PolarHBondContact O-N 3.18Å; A203-R205 PolarHBondContact O-NH1 3.1Å; R205-V807 HydrophobicContact CB-CG2 3.82Å; R205-V807 HydrophobicContact CG-CG2 3.47Å; R205-V807 VanDerWaalsContact CG-CG2 3.47Å; R205-D810 IonicContact CZ-OD2 3.7Å; R205-D810 IonicContact NH2-OD2 2.67Å; R205-D810 PolarHBondContact NH2-OD2 3.11Å
206	R	94.7	Very high	90	Very high	120 Å²	120	34.7 Å²	34.7	45%	0.453	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	124.1	173.9	-178.7	-173	76	-155	4.9	108.4	R179 T180 H208	R179-R206 HydrophobicContact CB-CG 4.26Å; T180-R206 CarbonylContact O-C 3.52Å; T180-R206 WeakPolarHBondContact O-CA 3.44Å; R206-H208 PolarHBondContact NE-NE2 3.05Å; R206-H208 PolarHBondContact NH2-NE2 2.85Å
207	L	94.9	Very high	91.6	Very high	4 Å²	4	33.2 Å²	33.2	2%	0.021	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	145.5	170.6	-62.2	85.1	0	0	0	108.9	R179 T180 I182 T209 L800 C803	R179-L207 WeakPolarHBondContact CA-O 3.14Å; T180-L207 PolarHBondContact N-O 3.47Å; T180-L207 PolarHBondContact O-N 3.19Å; I182-L207 HydrophobicContact CD1-CD1 4.08Å; I182-L207 HydrophobicContact CG1-CD1 4.24Å; L207-T209 PolarHBondContact O-N 2.81Å; L207-L800 HydrophobicContact CD1-CD1 4.32Å; L207-L800 HydrophobicContact CD2-CB 4.41Å; L207-C803 HydrophobicContact CD1-CB 4.01Å; L207-C803 HydrophobicContact CD2-CB 4.37Å; L207-C803 HydrophobicContact CG-CB 4.37Å
208	H	93.2	Very high	92.4	Very high	61 Å²	61	32.9 Å²	32.9	28%	0.282	15%	0.151	S	C	.	.	S	Bend	trans	-80.5	9.4	173.8	-59.4	146.1	0	0	0	114.1	Q178 R179 R206 H213 E797	Q178-H208 CarbonylContact O-C 3.58Å; R179-H208 PolarHBondContact NE-CD2 3.4Å; R179-H208 VanDerWaalsContact NE-CD2 3.34Å; R179-H208 PolarHBondContact NH1-O 2.83Å; R206-H208 PolarHBondContact NE-NE2 3.05Å; R206-H208 PolarHBondContact NH2-NE2 2.85Å; H208-H213 PolarHBondContact O-CE1 2.86Å; H208-H213 PolarHBondContact O-ND1 3.39Å; H208-E797 WeakPolarHBondContact CB-OE1 3.32Å; H208-E797 VanDerWaalsContact CB-OE2 3.24Å; H208-E797 WeakPolarHBondContact CB-OE2 3.39Å; H208-E797 IonicContact CE1-OE1 3.09Å; H208-E797 IonicContact CG-OE1 3.84Å; H208-E797 IonicContact CG-OE2 4Å; H208-E797 PolarHBondContact N-OE2 2.73Å; H208-E797 VanDerWaalsContact ND1-CD 3.35Å; H208-E797 IonicContact ND1-OE1 3.82Å; H208-E797 PolarHBondContact ND1-OE1 3.21Å; H208-E797 IonicContact ND1-OE2 2.73Å; H208-E797 PolarHBondContact ND1-OE2 3.43Å
209	T	93.7	Very high	93.1	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.012	14%	0.142	C	C	.	.			trans	-99	153.8	174.6	60.1	0	0	0	0	112.7	Q178 R179 T180 L207 P790 M793	Q178-T209 CarbonylContact O-C 3.58Å; R179-T209 CarbonylContact C-O 3.34Å; T180-T209 PolarHBondContact N-O 2.83Å; T180-T209 PolarHBondContact OG1-O 3.26Å; L207-T209 PolarHBondContact O-N 2.81Å; T209-P790 HydrophobicContact CG2-CB 4.11Å; T209-P790 HydrophobicContact CG2-CG 4.13Å; T209-M793 HydrophobicContact CG2-CE 3.88Å
210	G	93.6	Very high	93.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	16%	0.157	C	C	.	.			trans	-179.7	-179.5	-174.6	0	0	0	0	0	112.4	Y177 A212 H213 A214	Y177-G210 CarbonylContact O-C 3.37Å; G210-A212 VanDerWaalsContact C-N 3.29Å; G210-A212 PolarHBondContact O-N 3.05Å; G210-H213 PolarHBondContact N-ND1 2.86Å; G210-H213 WeakPolarHBondContact O-CA 3.23Å; G210-H213 VanDerWaalsContact O-CB 3.31Å; G210-H213 WeakPolarHBondContact O-CB 3.46Å; G210-H213 PolarHBondContact O-N 2.72Å; G210-A214 PolarHBondContact O-N 2.81Å
211	G	93.4	Very high	93.8	Very high	4 Å²	4	35.7 Å²	35.7	4%	0.041	16%	0.159	C	C	.	.	H	α-helix	trans	-57.6	-31	-174.1	0	0	0	0	0	116.2	G176 Y177 H213 A214 S215	G176-G211 PolarHBondContact O-N 2.81Å; Y177-G211 PolarHBondContact O-N 2.81Å; G211-H213 PolarHBondContact O-N 2.87Å; G211-A214 PolarHBondContact O-N 3.33Å; G211-S215 WeakPolarHBondContact O-CB 3.28Å; G211-S215 PolarHBondContact O-N 2.84Å; G211-S215 PolarHBondContact O-OG 3.16Å
212	A	93.8	Very high	94.1	Very high	16 Å²	16	33.7 Å²	33.7	13%	0.132	15%	0.149	C	C	.	.	H	α-helix	trans	-59.5	-36.9	171.8	0	0	0	0	0	112	Y177 Q178 G210 W216	Y177-A212 HydrophobicContact CD1-CB 4Å; Y177-A212 HydrophobicContact CD2-CB 3.84Å; Y177-A212 HydrophobicContact CE1-CB 3.74Å; Y177-A212 HydrophobicContact CE2-CB 3.55Å; Y177-A212 HydrophobicContact CG-CB 4.04Å; Y177-A212 VanDerWaalsContact CZ-CB 3.49Å; Y177-A212 WeakPolarHBondContact O-CB 3.23Å; Y177-A212 PolarHBondContact O-N 3.1Å; Q178-A212 HydrophobicContact CG-CB 3.99Å; G210-A212 VanDerWaalsContact C-N 3.29Å; G210-A212 PolarHBondContact O-N 3.05Å; A212-W216 VanDerWaalsContact O-CB 3.29Å; A212-W216 WeakPolarHBondContact O-CB 3.12Å; A212-W216 PolarHBondContact O-N 2.83Å
213	H	95.3	Very high	94.4	Very high	40 Å²	40	30.4 Å²	30.4	19%	0.185	13%	0.133	C	C	.	.	H	α-helix	trans	-77.2	-36.5	-178.5	-60.7	100.6	0	0	0	111.9	Q178 H208 G210 G211 W216 M217 M793	Q178-H213 PolarHBondContact O-CE1 2.82Å; Q178-H213 PolarHBondContact O-ND1 2.9Å; H208-H213 PolarHBondContact O-CE1 2.86Å; H208-H213 PolarHBondContact O-ND1 3.39Å; G210-H213 PolarHBondContact N-ND1 2.86Å; G210-H213 WeakPolarHBondContact O-CA 3.23Å; G210-H213 VanDerWaalsContact O-CB 3.31Å; G210-H213 WeakPolarHBondContact O-CB 3.46Å; G210-H213 PolarHBondContact O-N 2.72Å; G211-H213 PolarHBondContact O-N 2.87Å; H213-W216 PolarHBondContact O-N 2.85Å; H213-M217 VanDerWaalsContact O-CB 3.29Å; H213-M217 WeakPolarHBondContact O-CB 3.34Å; H213-M217 PolarHBondContact O-N 3.02Å; H213-M793 HydrophobicContact CB-CE 3.54Å
214	A	94.4	Very high	94.5	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-64.2	-44.9	170.8	0	0	0	0	0	111.4	G210 G211 W216 M217 I218 S783	G210-A214 PolarHBondContact O-N 2.81Å; G211-A214 PolarHBondContact O-N 3.33Å; A214-W216 PolarHBondContact O-N 3.15Å; A214-M217 PolarHBondContact O-N 3.5Å; A214-I218 PolarHBondContact O-N 3.25Å; A214-S783 VanDerWaalsContact CA-O 3.27Å; A214-S783 WeakPolarHBondContact CA-O 3.47Å; A214-S783 VanDerWaalsContact CB-O 3.29Å; A214-S783 WeakPolarHBondContact CB-O 3.35Å
215	S	94.3	Very high	94.5	Very high	6 Å²	6	37.6 Å²	37.6	4%	0.042	17%	0.167	C	C	.	.	H	α-helix	trans	-62.4	-40.1	174.9	-58.2	0	0	0	0	112.3	G211 I218 Q219 A238	G211-S215 WeakPolarHBondContact O-CB 3.28Å; G211-S215 PolarHBondContact O-N 2.84Å; G211-S215 PolarHBondContact O-OG 3.16Å; S215-I218 WeakPolarHBondContact O-CG2 3.25Å; S215-Q219 WeakPolarHBondContact O-CB 3.28Å; S215-Q219 PolarHBondContact O-N 3.45Å; S215-Q219 VanDerWaalsContact O-N 3.12Å; S215-A238 WeakPolarHBondContact O-CB 3.38Å
216	W	95	Very high	94.3	Very high	114 Å²	114	34 Å²	34	43%	0.432	15%	0.154	S	C	.	.	H	α-helix	trans	-63.8	-43.9	171.8	176.7	94.5	0	0	0	111.7	A212 H213 A214 Q219 R220 M793	A212-W216 VanDerWaalsContact O-CB 3.29Å; A212-W216 WeakPolarHBondContact O-CB 3.12Å; A212-W216 PolarHBondContact O-N 2.83Å; H213-W216 PolarHBondContact O-N 2.85Å; A214-W216 PolarHBondContact O-N 3.15Å; W216-Q219 WeakPolarHBondContact O-CB 3.27Å; W216-Q219 PolarHBondContact O-N 2.83Å; W216-R220 HydrophobicContact CD2-CG 3.74Å; W216-R220 VanDerWaalsContact CE2-CG 3.49Å; W216-R220 HydrophobicContact CE3-CG 4.04Å; W216-R220 HydrophobicContact CG-CG 4.37Å; W216-R220 HydrophobicContact CH2-CG 3.93Å; W216-R220 HydrophobicContact CZ2-CG 3.61Å; W216-R220 HydrophobicContact CZ3-CG 4.12Å; W216-R220 WeakPolarHBondContact O-CG 3.21Å; W216-R220 PolarHBondContact O-N 3.02Å; W216-M793 HydrophobicContact CZ3-CB 4.05Å
217	M	95.5	Very high	94	Very high	15 Å²	15	31.8 Å²	31.8	7%	0.074	16%	0.155	C	C	.	.	H	α-helix	trans	-61.9	-48.8	-177.8	-173.8	61.2	173	0	0	111.5	H213 A214 Q219 R220 L221 R782 F792	H213-M217 VanDerWaalsContact O-CB 3.29Å; H213-M217 WeakPolarHBondContact O-CB 3.34Å; H213-M217 PolarHBondContact O-N 3.02Å; A214-M217 PolarHBondContact O-N 3.5Å; M217-Q219 VanDerWaalsContact C-N 3.31Å; M217-Q219 PolarHBondContact O-N 2.98Å; M217-R220 PolarHBondContact O-N 3.08Å; M217-L221 HydrophobicContact CE-CD1 4.11Å; M217-L221 HydrophobicContact CE-CD2 4.22Å; M217-L221 HydrophobicContact CE-CG 4.22Å; M217-L221 HydrophobicContact CG-CD1 4.09Å; M217-L221 HydrophobicContact CG-CG 4.49Å; M217-L221 WeakPolarHBondContact O-CB 3.49Å; M217-L221 VanDerWaalsContact O-CG 3.3Å; M217-L221 WeakPolarHBondContact O-CG 3.39Å; M217-L221 PolarHBondContact O-N 3.44Å; M217-L221 HydrophobicContact SD-CG 4.42Å; M217-R782 HydrophobicContact CE-CG 4.38Å; M217-F792 HydrophobicContact CE-CB 4.02Å; M217-F792 WeakPolarHBondContact CE-O 3.23Å
218	I	94.9	Very high	93.5	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-64.8	-34.9	175.2	-166.7	168.3	0	0	0	111.9	A214 S215 L222 A238 L241 V776 E779 L780	A214-I218 PolarHBondContact O-N 3.25Å; S215-I218 WeakPolarHBondContact O-CG2 3.25Å; I218-L222 HydrophobicContact CG1-CD1 3.97Å; I218-L222 HydrophobicContact CG1-CG 4.31Å; I218-L222 WeakPolarHBondContact O-CB 3.5Å; I218-L222 WeakPolarHBondContact O-CG 3.37Å; I218-L222 PolarHBondContact O-N 3.18Å; I218-A238 HydrophobicContact CG2-CB 3.99Å; I218-L241 HydrophobicContact CD1-CB 3.99Å; I218-V776 HydrophobicContact CD1-CG1 4.14Å; I218-E779 HydrophobicContact CG1-CB 4.28Å; I218-L780 HydrophobicContact CD1-CD2 3.95Å
219	Q	95.6	Very high	93.2	Very high	5 Å²	5	29.3 Å²	29.3	2%	0.023	15%	0.145	C	C	.	.	H	α-helix	trans	-59.8	-49.9	171.9	-157.6	-160.3	10	0	0	111.1	S215 W216 M217 L222 Q223 I233 A238	S215-Q219 WeakPolarHBondContact O-CB 3.28Å; S215-Q219 PolarHBondContact O-N 3.45Å; S215-Q219 VanDerWaalsContact O-N 3.12Å; W216-Q219 WeakPolarHBondContact O-CB 3.27Å; W216-Q219 PolarHBondContact O-N 2.83Å; M217-Q219 VanDerWaalsContact C-N 3.31Å; M217-Q219 PolarHBondContact O-N 2.98Å; Q219-L222 PolarHBondContact O-N 3.15Å; Q219-Q223 HydrophobicContact CG-CG 4.46Å; Q219-Q223 WeakPolarHBondContact O-CB 3.26Å; Q219-Q223 VanDerWaalsContact O-CG 3.22Å; Q219-Q223 WeakPolarHBondContact O-CG 3.37Å; Q219-Q223 PolarHBondContact O-N 3.08Å; Q219-I233 HydrophobicContact CG-CG2 4.05Å; Q219-I233 PolarHBondContact NE2-O 2.89Å; Q219-A238 HydrophobicContact CB-CB 3.64Å; Q219-A238 HydrophobicContact CG-CB 4Å
220	R	95.7	Very high	93.1	Very high	91 Å²	91	31.4 Å²	31.4	34%	0.343	16%	0.159	S	C	.	.	H	α-helix	trans	-64.4	-46.3	-178.5	-66.3	-54.4	111.2	176.8	4.2	111.9	W216 M217 L222 Q223 L224	W216-R220 HydrophobicContact CD2-CG 3.74Å; W216-R220 VanDerWaalsContact CE2-CG 3.49Å; W216-R220 HydrophobicContact CE3-CG 4.04Å; W216-R220 HydrophobicContact CG-CG 4.37Å; W216-R220 HydrophobicContact CH2-CG 3.93Å; W216-R220 HydrophobicContact CZ2-CG 3.61Å; W216-R220 HydrophobicContact CZ3-CG 4.12Å; W216-R220 WeakPolarHBondContact O-CG 3.21Å; W216-R220 PolarHBondContact O-N 3.02Å; M217-R220 PolarHBondContact O-N 3.08Å; R220-L222 PolarHBondContact O-N 3.29Å; R220-Q223 VanDerWaalsContact NH1-OE1 3.13Å; R220-Q223 PolarHBondContact O-N 2.72Å; R220-L224 WeakPolarHBondContact O-CB 3.47Å; R220-L224 VanDerWaalsContact O-CG 3.31Å; R220-L224 WeakPolarHBondContact O-CG 3.48Å; R220-L224 PolarHBondContact O-N 2.97Å
221	L	95.5	Very high	92.8	Very high	34 Å²	34	39.3 Å²	39.3	18%	0.178	20%	0.197	C	C	.	.	H	α-helix	trans	-57.8	-47	178	-70.9	172.4	0	0	0	111.2	M217 L224 K225 E779 R782	M217-L221 HydrophobicContact CE-CD1 4.11Å; M217-L221 HydrophobicContact CE-CD2 4.22Å; M217-L221 HydrophobicContact CE-CG 4.22Å; M217-L221 HydrophobicContact CG-CD1 4.09Å; M217-L221 HydrophobicContact CG-CG 4.49Å; M217-L221 WeakPolarHBondContact O-CB 3.49Å; M217-L221 VanDerWaalsContact O-CG 3.3Å; M217-L221 WeakPolarHBondContact O-CG 3.39Å; M217-L221 PolarHBondContact O-N 3.44Å; M217-L221 HydrophobicContact SD-CG 4.42Å; L221-L224 PolarHBondContact O-N 2.81Å; L221-K225 VanDerWaalsContact O-CB 3.32Å; L221-K225 WeakPolarHBondContact O-CB 3.39Å; L221-K225 PolarHBondContact O-N 3.32Å; L221-E779 HydrophobicContact CB-CB 4.27Å; L221-E779 HydrophobicContact CB-CG 3.76Å; L221-E779 HydrophobicContact CD1-CB 4.04Å; L221-E779 HydrophobicContact CD1-CG 4.06Å; L221-E779 HydrophobicContact CG-CG 4.48Å; L221-R782 HydrophobicContact CD1-CB 4.41Å; L221-R782 HydrophobicContact CD1-CG 4.15Å
222	L	95	Very high	92.6	Very high	1 Å²	1	43 Å²	43	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-68.7	-37	178.1	-71.2	176.5	0	0	0	113.1	I218 Q219 R220 L224 K225 Y226 I233 L241 I774 V776	I218-L222 HydrophobicContact CG1-CD1 3.97Å; I218-L222 HydrophobicContact CG1-CG 4.31Å; I218-L222 WeakPolarHBondContact O-CB 3.5Å; I218-L222 WeakPolarHBondContact O-CG 3.37Å; I218-L222 PolarHBondContact O-N 3.18Å; Q219-L222 PolarHBondContact O-N 3.15Å; R220-L222 PolarHBondContact O-N 3.29Å; L222-L224 VanDerWaalsContact C-N 3.31Å; L222-L224 PolarHBondContact O-N 2.99Å; L222-K225 HydrophobicContact CD2-CD 4.35Å; L222-K225 PolarHBondContact O-N 2.68Å; L222-Y226 HydrophobicContact CD2-CD2 4.28Å; L222-Y226 HydrophobicContact CD2-CE2 3.99Å; L222-Y226 PolarHBondContact O-N 3.22Å; L222-I233 HydrophobicContact CB-CD1 4.12Å; L222-I233 HydrophobicContact CB-CG2 3.94Å; L222-I233 WeakPolarHBondContact O-CD1 3.39Å; L222-L241 HydrophobicContact CD1-CD1 3.79Å; L222-I774 HydrophobicContact CD1-CD1 4.39Å; L222-V776 HydrophobicContact CD1-CG1 4.39Å; L222-V776 HydrophobicContact CD1-CG2 4.23Å; L222-V776 HydrophobicContact CD2-CG1 4.22Å; L222-V776 HydrophobicContact CD2-CG2 4.16Å
223	Q	94.8	Very high	92.4	Very high	36 Å²	36	42.2 Å²	42.2	17%	0.168	20%	0.203	C	C	.	.	H	α-helix	trans	-65.7	-32.8	174.9	-74	-176.9	-34.2	0	0	112.7	Q219 R220 Y226 S230 I233	Q219-Q223 HydrophobicContact CG-CG 4.46Å; Q219-Q223 WeakPolarHBondContact O-CB 3.26Å; Q219-Q223 VanDerWaalsContact O-CG 3.22Å; Q219-Q223 WeakPolarHBondContact O-CG 3.37Å; Q219-Q223 PolarHBondContact O-N 3.08Å; R220-Q223 VanDerWaalsContact NH1-OE1 3.13Å; R220-Q223 PolarHBondContact O-N 2.72Å; Q223-Y226 CarbonylContact O-C 3.58Å; Q223-S230 PolarHBondContact NE2-O 3.48Å; Q223-I233 HydrophobicContact CG-CB 3.95Å; Q223-I233 HydrophobicContact CG-CD1 4.43Å; Q223-I233 HydrophobicContact CG-CG2 3.94Å; Q223-I233 PolarHBondContact NE2-O 2.79Å
224	L	92.7	Very high	92.2	Very high	136 Å²	136	41.9 Å²	41.9	71%	0.712	20%	0.204	S	C	*	.	H	α-helix	trans	-75.6	-37.4	173.6	-69.8	168.3	0	0	0	112.3	R220 L221 L222	R220-L224 WeakPolarHBondContact O-CB 3.47Å; R220-L224 VanDerWaalsContact O-CG 3.31Å; R220-L224 WeakPolarHBondContact O-CG 3.48Å; R220-L224 PolarHBondContact O-N 2.97Å; L221-L224 PolarHBondContact O-N 2.81Å; L222-L224 VanDerWaalsContact C-N 3.31Å; L222-L224 PolarHBondContact O-N 2.99Å
225	K	92.5	Very high	91.9	Very high	29 Å²	29	42.4 Å²	42.4	13%	0.126	21%	0.208	C	C	.	.	H	α-helix	trans	-68.4	-34	176.1	-166.5	175.9	-175.1	178.1	0	112.6	L221 L222 L501 N504 H775 D777 E779	L221-K225 VanDerWaalsContact O-CB 3.32Å; L221-K225 WeakPolarHBondContact O-CB 3.39Å; L221-K225 PolarHBondContact O-N 3.32Å; L222-K225 HydrophobicContact CD2-CD 4.35Å; L222-K225 PolarHBondContact O-N 2.68Å; K225-L501 HydrophobicContact CG-CD2 3.83Å; K225-L501 HydrophobicContact CG-CG 4.42Å; K225-N504 PolarHBondContact O-ND2 3.4Å; K225-H775 WeakPolarHBondContact CE-O 3.5Å; K225-H775 PolarHBondContact NZ-O 3.32Å; K225-D777 IonicContact NZ-OD2 3.66Å; K225-D777 PolarHBondContact NZ-OD2 3.48Å; K225-E779 VanDerWaalsContact CD-OE1 3.3Å; K225-E779 WeakPolarHBondContact CD-OE1 3.44Å; K225-E779 WeakPolarHBondContact CE-OE1 3.47Å; K225-E779 VanDerWaalsContact NZ-CD 3.29Å; K225-E779 IonicContact NZ-OE1 2.74Å; K225-E779 PolarHBondContact NZ-OE1 3.2Å; K225-E779 IonicContact NZ-OE2 2.87Å; K225-E779 PolarHBondContact NZ-OE2 3.24Å
226	Y	91.5	Very high	91.6	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.214	C	C	.	.			trans	-130.7	73.6	-178.5	-54.1	-72.5	0	0	0	113.1	L222 Q223 S228 H229 S230 D498 C500 L501 I774 H775	L222-Y226 HydrophobicContact CD2-CD2 4.28Å; L222-Y226 HydrophobicContact CD2-CE2 3.99Å; L222-Y226 PolarHBondContact O-N 3.22Å; Q223-Y226 CarbonylContact O-C 3.58Å; Y226-S228 PolarHBondContact O-N 2.91Å; Y226-H229 CarbonylContact O-C 3.57Å; Y226-H229 PolarHBondContact O-N 2.9Å; Y226-S230 PolarHBondContact O-N 2.94Å; Y226-D498 WeakPolarHBondContact CE1-OD2 3.48Å; Y226-D498 PolarHBondContact OH-OD2 3.35Å; Y226-C500 HydrophobicContact CD1-CB 3.8Å; Y226-C500 HydrophobicContact CE1-CB 3.87Å; Y226-L501 HydrophobicContact CE1-CD2 4.47Å; Y226-L501 HydrophobicContact CE1-CG 4.02Å; Y226-I774 HydrophobicContact CD1-CG2 4.09Å; Y226-I774 HydrophobicContact CD2-CB 3.89Å; Y226-I774 HydrophobicContact CD2-CG2 3.72Å; Y226-I774 HydrophobicContact CE1-CB 4.43Å; Y226-I774 HydrophobicContact CE1-CG2 4.29Å; Y226-I774 HydrophobicContact CE2-CB 3.6Å; Y226-I774 HydrophobicContact CE2-CG2 3.94Å; Y226-I774 HydrophobicContact CG-CB 4.41Å; Y226-I774 HydrophobicContact CG-CG2 3.81Å; Y226-H775 WeakPolarHBondContact OH-CA 3.25Å; Y226-H775 WeakPolarHBondContact OH-CB 3.31Å; Y226-H775 PolarHBondContact OH-N 2.9Å; Y226-H775 PolarHBondContact OH-O 2.79Å
227	P	88.1	Confident	91.4	Very high	73 Å²	73	38.5 Å²	38.5	47%	0.474	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-56.6	-35.3	179.2	-27.1	36.8	0	0	0	113.6	H229 S230	P227-H229 PolarHBondContact O-N 3.48Å; P227-H229 VanDerWaalsContact O-N 3.14Å; P227-S230 WeakPolarHBondContact O-CB 3.23Å; P227-S230 PolarHBondContact O-N 2.81Å; P227-S230 PolarHBondContact O-OG 3Å
228	S	84.2	Confident	91.3	Very high	13 Å²	13	37.9 Å²	37.9	9%	0.091	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-54.1	-24	172.1	50.6	0	0	0	0	115	Y226	Y226-S228 PolarHBondContact O-N 2.91Å
229	H	88.8	Confident	91.1	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-122.8	10.7	-174.6	-49.8	-44.3	0	0	0	112.3	Y226 P227 E231 R232 I233 L274 F771	Y226-H229 CarbonylContact O-C 3.57Å; Y226-H229 PolarHBondContact O-N 2.9Å; P227-H229 PolarHBondContact O-N 3.48Å; P227-H229 VanDerWaalsContact O-N 3.14Å; H229-E231 VanDerWaalsContact C-N 3.25Å; H229-E231 PolarHBondContact O-N 2.86Å; H229-E231 VanDerWaalsContact O-N 3.17Å; H229-R232 CarbonylContact O-C 3.51Å; H229-R232 WeakPolarHBondContact O-CA 3.26Å; H229-R232 PolarHBondContact O-N 3.37Å; H229-I233 HydrophobicContact CB-CD1 4.13Å; H229-I233 HydrophobicContact CB-CG1 4.45Å; H229-I233 WeakPolarHBondContact O-CG1 3.32Å; H229-I233 PolarHBondContact O-N 3.32Å; H229-L274 HydrophobicContact CB-CD1 3.55Å; H229-F771 AromaticContact CE1-CE1 3.8Å; H229-F771 AromaticContact CE1-CE2 3.65Å; H229-F771 AromaticContact CE1-CZ 3.54Å; H229-F771 PolarHBondContact CE1-O 2.9Å; H229-F771 PolarHBondContact NE2-O 3.39Å
230	S	90.7	Very high	90.7	Very high	45 Å²	45	44.9 Å²	44.9	32%	0.315	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-41.3	-176.8	52.1	0	0	0	0	113.4	Q223 Y226 P227	Q223-S230 PolarHBondContact NE2-O 3.48Å; Y226-S230 PolarHBondContact O-N 2.94Å; P227-S230 WeakPolarHBondContact O-CB 3.23Å; P227-S230 PolarHBondContact O-N 2.81Å; P227-S230 PolarHBondContact O-OG 3Å
231	E	87.7	Confident	90.5	Very high	167 Å²	167	40.8 Å²	40.8	78%	0.78	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-32.2	174.2	-60.6	-179.6	153.6	0	0	114.1	H229	H229-E231 VanDerWaalsContact C-N 3.25Å; H229-E231 PolarHBondContact O-N 2.86Å; H229-E231 VanDerWaalsContact O-N 3.17Å
232	R	87.9	Confident	90.4	Very high	80 Å²	80	39.3 Å²	39.3	30%	0.302	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-17.9	-178.5	-70.4	173.5	179.1	70.8	-3	113.1	H229 T234 L274 Y772	H229-R232 CarbonylContact O-C 3.51Å; H229-R232 WeakPolarHBondContact O-CA 3.26Å; H229-R232 PolarHBondContact O-N 3.37Å; R232-T234 PolarHBondContact O-N 3.04Å; R232-L274 HydrophobicContact CB-CD1 4.17Å; R232-Y772 VanDerWaalsContact NE-CE1 3.33Å; R232-Y772 PolarHBondContact NH2-OH 3.08Å
233	I	91	Very high	90	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	22%	0.217	C	C	.	.	S	Bend	trans	-82.5	76.5	174.9	-62.1	159.3	0	0	0	107.6	Q219 L222 Q223 H229 I774	Q219-I233 HydrophobicContact CG-CG2 4.05Å; Q219-I233 PolarHBondContact NE2-O 2.89Å; L222-I233 HydrophobicContact CB-CD1 4.12Å; L222-I233 HydrophobicContact CB-CG2 3.94Å; L222-I233 WeakPolarHBondContact O-CD1 3.39Å; Q223-I233 HydrophobicContact CG-CB 3.95Å; Q223-I233 HydrophobicContact CG-CD1 4.43Å; Q223-I233 HydrophobicContact CG-CG2 3.94Å; Q223-I233 PolarHBondContact NE2-O 2.79Å; H229-I233 HydrophobicContact CB-CD1 4.13Å; H229-I233 HydrophobicContact CB-CG1 4.45Å; H229-I233 WeakPolarHBondContact O-CG1 3.32Å; H229-I233 PolarHBondContact O-N 3.32Å; I233-I774 HydrophobicContact CG1-CD1 4.38Å
234	T	90.7	Very high	89.7	Confident	33 Å²	33	42.2 Å²	42.2	20%	0.202	22%	0.217	C	C	.	.			trans	-71.8	168.1	-179.9	74.5	0	0	0	0	111.8	D74 R232 G236 L237 A238	D74-T234 HydrophobicContact CB-CG2 4.23Å; D74-T234 VanDerWaalsContact CG-CB 3.43Å; D74-T234 VanDerWaalsContact CG-OG1 3.3Å; D74-T234 VanDerWaalsContact OD1-CB 3.31Å; D74-T234 WeakPolarHBondContact OD1-CB 3.45Å; D74-T234 PolarHBondContact OD1-OG1 2.81Å; D74-T234 VanDerWaalsContact OD2-CB 3.27Å; D74-T234 WeakPolarHBondContact OD2-CB 3.31Å; D74-T234 PolarHBondContact OD2-OG1 3.03Å; R232-T234 PolarHBondContact O-N 3.04Å; T234-G236 PolarHBondContact OG1-N 2.97Å; T234-L237 PolarHBondContact O-N 2.89Å; T234-L237 PolarHBondContact OG1-N 3.47Å; T234-A238 PolarHBondContact O-N 3.04Å; T234-A238 VanDerWaalsContact O-N 3.09Å
235	A	88.9	Confident	89.7	Confident	11 Å²	11	41.2 Å²	41.2	9%	0.091	21%	0.205	C	C	.	.	H	α-helix	trans	-72.7	-35.4	170.8	0	0	0	0	0	111.4	R77 L237 A238 E239	R77-A235 VanDerWaalsContact NH1-CB 3.28Å; R77-A235 VanDerWaalsContact NH2-CB 3.3Å; A235-L237 PolarHBondContact O-N 2.73Å; A235-A238 PolarHBondContact O-N 3.49Å; A235-E239 WeakPolarHBondContact O-CB 3.32Å; A235-E239 WeakPolarHBondContact O-CG 3.43Å; A235-E239 PolarHBondContact O-N 2.89Å
236	G	88	Confident	89.8	Confident	17 Å²	17	40.1 Å²	40.1	18%	0.175	20%	0.201	C	C	.	.	H	α-helix	trans	-57	-33.3	171.6	0	0	0	0	0	112.8	D74 T234 R240	D74-G236 PolarHBondContact OD1-N 3.12Å; T234-G236 PolarHBondContact OG1-N 2.97Å; G236-R240 WeakPolarHBondContact O-CB 3.13Å; G236-R240 VanDerWaalsContact O-CG 3.24Å; G236-R240 WeakPolarHBondContact O-CG 3.3Å; G236-R240 PolarHBondContact O-N 2.85Å; G236-R240 PolarHBondContact O-NE 2.81Å; G236-R240 VanDerWaalsContact O-NE 3.08Å; G236-R240 PolarHBondContact O-NH2 2.96Å
237	L	90.3	Very high	89.9	Confident	21 Å²	21	42.6 Å²	42.6	11%	0.11	21%	0.21	C	C	.	.	H	α-helix	trans	-70.1	-48.8	169.1	-177.3	62.6	0	0	0	112.3	T234 A235 E239 R240 L241 V272 L274	T234-L237 PolarHBondContact O-N 2.89Å; T234-L237 PolarHBondContact OG1-N 3.47Å; A235-L237 PolarHBondContact O-N 2.73Å; L237-E239 PolarHBondContact O-N 3.44Å; L237-R240 PolarHBondContact O-N 2.84Å; L237-L241 HydrophobicContact CD1-CD1 4.46Å; L237-L241 HydrophobicContact CD1-CG 4.42Å; L237-L241 HydrophobicContact CG-CD1 4.2Å; L237-L241 WeakPolarHBondContact O-CG 3.29Å; L237-L241 PolarHBondContact O-N 3.08Å; L237-V272 HydrophobicContact CD1-CG1 4.18Å; L237-L274 HydrophobicContact CD2-CD2 3.44Å; L237-L274 VanDerWaalsContact CD2-CD2 3.44Å
238	A	92.8	Very high	90.2	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.008	19%	0.188	C	C	.	.	H	α-helix	trans	-62.1	-41.8	-177.1	0	0	0	0	0	113.4	S215 I218 Q219 T234 A235 L241 A242	S215-A238 WeakPolarHBondContact O-CB 3.38Å; I218-A238 HydrophobicContact CG2-CB 3.99Å; Q219-A238 HydrophobicContact CB-CB 3.64Å; Q219-A238 HydrophobicContact CG-CB 4Å; T234-A238 PolarHBondContact O-N 3.04Å; T234-A238 VanDerWaalsContact O-N 3.09Å; A235-A238 PolarHBondContact O-N 3.49Å; A238-L241 PolarHBondContact O-N 3.3Å; A238-A242 WeakPolarHBondContact O-CB 3.29Å; A238-A242 PolarHBondContact O-N 3.47Å
239	E	90.4	Very high	90.7	Very high	36 Å²	36	38.9 Å²	38.9	17%	0.168	19%	0.186	C	C	.	.	H	α-helix	trans	-62.8	-45.2	173.6	-69.6	165.6	-143.5	0	0	111.6	Y35 A235 L237 L241 A242 H243	Y35-E239 VanDerWaalsContact CE2-OE2 3.3Å; Y35-E239 WeakPolarHBondContact CE2-OE2 3.24Å; Y35-E239 PolarHBondContact OH-OE2 3.35Å; A235-E239 WeakPolarHBondContact O-CB 3.32Å; A235-E239 WeakPolarHBondContact O-CG 3.43Å; A235-E239 PolarHBondContact O-N 2.89Å; L237-E239 PolarHBondContact O-N 3.44Å; E239-L241 VanDerWaalsContact C-N 3.29Å; E239-L241 PolarHBondContact O-N 2.86Å; E239-A242 WeakPolarHBondContact O-CB 3.43Å; E239-A242 PolarHBondContact O-N 3.07Å; E239-H243 VanDerWaalsContact O-CG 3.32Å; E239-H243 PolarHBondContact O-N 3.31Å
240	R	87.3	Confident	90.9	Very high	117 Å²	117	41.4 Å²	41.4	44%	0.442	20%	0.204	S	C	.	.	H	α-helix	trans	-60.2	-39	174.9	-76.5	-177.2	-59.6	-114	-2.5	111.9	Y6 G236 L237 S244	Y6-R240 HydrophobicContact CD1-CG 4.12Å; Y6-R240 HydrophobicContact CE1-CG 4.2Å; G236-R240 WeakPolarHBondContact O-CB 3.13Å; G236-R240 VanDerWaalsContact O-CG 3.24Å; G236-R240 WeakPolarHBondContact O-CG 3.3Å; G236-R240 PolarHBondContact O-N 2.85Å; G236-R240 PolarHBondContact O-NE 2.81Å; G236-R240 VanDerWaalsContact O-NE 3.08Å; G236-R240 PolarHBondContact O-NH2 2.96Å; L237-R240 PolarHBondContact O-N 2.84Å; R240-S244 WeakPolarHBondContact O-CB 3.4Å; R240-S244 PolarHBondContact O-N 3.43Å; R240-S244 PolarHBondContact O-OG 3.11Å
241	L	91.9	Very high	91	Very high	5 Å²	5	43.2 Å²	43.2	3%	0.026	21%	0.21	C	C	.	.	H	α-helix	trans	-68.4	-43.7	174.8	-66.6	175	0	0	0	111.7	I218 L222 L237 A238 E239 H243 S244 Y245 C246 V272 V776	I218-L241 HydrophobicContact CD1-CB 3.99Å; L222-L241 HydrophobicContact CD1-CD1 3.79Å; L237-L241 HydrophobicContact CD1-CD1 4.46Å; L237-L241 HydrophobicContact CD1-CG 4.42Å; L237-L241 HydrophobicContact CG-CD1 4.2Å; L237-L241 WeakPolarHBondContact O-CG 3.29Å; L237-L241 PolarHBondContact O-N 3.08Å; A238-L241 PolarHBondContact O-N 3.3Å; E239-L241 VanDerWaalsContact C-N 3.29Å; E239-L241 PolarHBondContact O-N 2.86Å; L241-H243 VanDerWaalsContact C-N 3.35Å; L241-H243 PolarHBondContact O-N 2.89Å; L241-S244 PolarHBondContact O-N 3.02Å; L241-Y245 HydrophobicContact CD2-CD2 3.82Å; L241-Y245 HydrophobicContact CD2-CE2 4.24Å; L241-Y245 PolarHBondContact O-N 3.35Å; L241-C246 PolarHBondContact O-N 2.77Å; L241-C246 PolarHBondContact O-SG 3.08Å; L241-V272 HydrophobicContact CD2-CG2 3.79Å; L241-V776 HydrophobicContact CD1-CG2 4.33Å
242	A	92.5	Very high	91.3	Very high	2 Å²	2	36.4 Å²	36.4	2%	0.017	18%	0.177	C	C	.	.	H	α-helix	trans	-56.7	-45.8	176	0	0	0	0	0	112.1	A238 E239 C246 H784	A238-A242 WeakPolarHBondContact O-CB 3.29Å; A238-A242 PolarHBondContact O-N 3.47Å; E239-A242 WeakPolarHBondContact O-CB 3.43Å; E239-A242 PolarHBondContact O-N 3.07Å; A242-C246 VanDerWaalsContact CA-SG 3.6Å; A242-C246 WeakPolarHBondContact O-CB 3.25Å; A242-H784 PolarHBondContact O-CE1 2.88Å
243	H	88.1	Confident	91.6	Very high	74 Å²	74	42 Å²	42	34%	0.343	20%	0.198	S	C	.	.	H	α-helix	trans	-83.6	-23.9	-176.3	-59.5	166.9	0	0	0	114.4	Y6 E239 L241	Y6-H243 HydrophobicContact CE2-CB 3.95Å; Y6-H243 AromaticContact CZ-ND1 3.78Å; Y6-H243 PolarHBondContact OH-ND1 3.49Å; E239-H243 VanDerWaalsContact O-CG 3.32Å; E239-H243 PolarHBondContact O-N 3.31Å; L241-H243 VanDerWaalsContact C-N 3.35Å; L241-H243 PolarHBondContact O-N 2.89Å
244	S	88.3	Confident	91.8	Very high	25 Å²	25	47.2 Å²	47.2	18%	0.175	22%	0.223	C	C	.	.	H	α-helix	trans	-105.9	-24.8	-172.4	-44.9	0	0	0	0	115.1	R240 L241	R240-S244 WeakPolarHBondContact O-CB 3.4Å; R240-S244 PolarHBondContact O-N 3.43Å; R240-S244 PolarHBondContact O-OG 3.11Å; L241-S244 PolarHBondContact O-N 3.02Å
245	Y	91.8	Very high	91.9	Very high	114 Å²	114	47.2 Å²	47.2	45%	0.447	22%	0.22	S	C	.	.	H	α-helix	trans	-131.3	-8.6	-169.3	-65.7	-80.5	0	0	0	114.9	L241 W247 V270	L241-Y245 HydrophobicContact CD2-CD2 3.82Å; L241-Y245 HydrophobicContact CD2-CE2 4.24Å; L241-Y245 PolarHBondContact O-N 3.35Å; Y245-W247 WeakPolarHBondContact O-CZ3 3.48Å; Y245-V270 HydrophobicContact CD1-CG1 3.87Å; Y245-V270 HydrophobicContact CD1-CG2 3.81Å; Y245-V270 HydrophobicContact CE1-CG1 3.95Å; Y245-V270 HydrophobicContact CE1-CG2 4.47Å; Y245-V270 HydrophobicContact CG-CG1 4.21Å; Y245-V270 HydrophobicContact CG-CG2 4.36Å
246	C	94.2	Very high	92.2	Very high	6 Å²	6	48.8 Å²	48.8	4%	0.041	23%	0.226	C	C	.	.			trans	-86.7	150.9	178.6	-59.9	0	0	0	0	111.9	L241 A242 L780 S783 H784 L836	L241-C246 PolarHBondContact O-N 2.77Å; L241-C246 PolarHBondContact O-SG 3.08Å; A242-C246 VanDerWaalsContact CA-SG 3.6Å; A242-C246 WeakPolarHBondContact O-CB 3.25Å; C246-L780 PolarHBondContact SG-O 3.33Å; C246-L780 VanDerWaalsContact SG-O 3.32Å; C246-S783 PolarHBondContact SG-OG 3.03Å; C246-S783 VanDerWaalsContact SG-OG 3.41Å; C246-H784 WeakPolarHBondContact CB-ND1 3.47Å; C246-L836 HydrophobicContact CB-CD1 4.29Å; C246-L836 WeakPolarHBondContact O-CD1 3.37Å
247	W	94.8	Very high	92.5	Very high	53 Å²	53	52 Å²	52	20%	0.201	24%	0.242	C	C	.	.			trans	-135.8	173.1	169.7	65.1	99.1	0	0	0	108.5	Y245 E255 W259 L780 M781 P837	Y245-W247 WeakPolarHBondContact O-CZ3 3.48Å; W247-E255 WeakPolarHBondContact CZ2-OE1 3.15Å; W247-E255 PolarHBondContact NE1-OE1 2.8Å; W247-E255 VanDerWaalsContact NE1-OE1 3.11Å; W247-E255 PolarHBondContact NE1-OE2 3.29Å; W247-W259 HydrophobicContact CH2-CH2 4.47Å; W247-W259 AromaticContact CH2-CZ2 3.81Å; W247-W259 HydrophobicContact CH2-CZ2 3.81Å; W247-W259 AromaticContact CZ2-CZ2 3.85Å; W247-W259 HydrophobicContact CZ2-CZ2 3.85Å; W247-L780 HydrophobicContact CE3-CB 4.35Å; W247-L780 HydrophobicContact CH2-CB 4.22Å; W247-L780 HydrophobicContact CH2-CD1 4.21Å; W247-L780 HydrophobicContact CZ3-CB 3.81Å; W247-L780 HydrophobicContact CZ3-CD1 3.74Å; W247-L780 HydrophobicContact CZ3-CG 4.4Å; W247-M781 HydrophobicContact CZ2-CB 4.44Å; W247-P837 WeakPolarHBondContact CA-O 3.36Å; W247-P837 HydrophobicContact CB-CB 4.06Å
248	L	94.9	Very high	92.7	Very high	3 Å²	3	54.7 Å²	54.7	2%	0.016	26%	0.255	C	S	.	.			trans	-115.9	133.1	170.3	-165.2	72.6	0	0	0	109.9	H784 F788 L836 P837 G838 L839 R842	L248-H784 HydrophobicContact CD1-CB 4.11Å; L248-F788 HydrophobicContact CD1-CD2 4.24Å; L248-F788 HydrophobicContact CD1-CE2 4.25Å; L248-F788 HydrophobicContact CD2-CD2 3.98Å; L248-F788 HydrophobicContact CD2-CE2 3.28Å; L248-F788 HydrophobicContact CD2-CZ 3.59Å; L248-F788 HydrophobicContact CG-CE2 4.4Å; L248-L836 HydrophobicContact CB-CD2 3.87Å; L248-P837 PolarHBondContact N-O 3.02Å; L248-G838 WeakPolarHBondContact O-CA 3.33Å; L248-L839 HydrophobicContact CD2-CD1 3.73Å; L248-R842 HydrophobicContact CD2-CB 3.76Å; L248-R842 HydrophobicContact CD2-CG 3.65Å; L248-R842 HydrophobicContact CG-CB 4.38Å; L248-R842 HydrophobicContact CG-CG 4.29Å
249	A	93.9	Very high	92.7	Very high	4 Å²	4	55.4 Å²	55.4	3%	0.033	26%	0.257	C	S	.	.			trans	-81.8	137.2	175.8	0	0	0	0	0	111.5	N251 E255 M781 R842	A249-N251 PolarHBondContact O-N 2.8Å; A249-E255 HydrophobicContact CB-CB 4.28Å; A249-E255 WeakPolarHBondContact CB-OE2 3.24Å; A249-M781 HydrophobicContact CB-CG 4.23Å; A249-M781 HydrophobicContact CB-SD 3.44Å; A249-M781 WeakPolarHBondContact CB-SD 3.37Å; A249-R842 PolarHBondContact O-NH1 2.96Å; A249-R842 VanDerWaalsContact O-NH1 3.08Å
250	S	92.1	Very high	92.8	Very high	55 Å²	55	60.7 Å²	60.7	39%	0.385	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-28.9	169.8	-39	0	0	0	0	111.9
251	N	93.7	Very high	93	Very high	83 Å²	83	58.1 Å²	58.1	44%	0.444	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-140.3	91.1	170.3	-176.5	-13.2	0	0	0	110.7	A249 R253 Q254 E255	A249-N251 PolarHBondContact O-N 2.8Å; N251-R253 VanDerWaalsContact C-N 3.27Å; N251-R253 PolarHBondContact O-N 2.96Å; N251-R253 PolarHBondContact OD1-N 3.47Å; N251-Q254 HydrophobicContact CB-CB 4.09Å; N251-Q254 PolarHBondContact O-N 3.33Å; N251-Q254 VanDerWaalsContact O-N 3.14Å; N251-Q254 PolarHBondContact OD1-N 2.8Å; N251-Q254 VanDerWaalsContact OD1-N 3.17Å; N251-E255 PolarHBondContact O-N 2.57Å; N251-E255 VanDerWaalsContact O-N 3.14Å
252	Y	94.2	Very high	92.8	Very high	24 Å²	24	61.2 Å²	61.2	9%	0.094	30%	0.296	C	S	.	.	H	α-helix	trans	-53.5	-38.7	178.9	173.5	-99.3	0	0	0	113.5	M256 M781 R782 E785 F792	Y252-M256 HydrophobicContact CD1-CG 4.32Å; Y252-M256 HydrophobicContact CD2-CG 4.14Å; Y252-M256 HydrophobicContact CE1-CG 4Å; Y252-M256 HydrophobicContact CE2-CG 3.8Å; Y252-M256 HydrophobicContact CE2-SD 4.07Å; Y252-M256 HydrophobicContact CG-CG 4.39Å; Y252-M256 VanDerWaalsContact O-CB 3.28Å; Y252-M256 WeakPolarHBondContact O-CB 3.44Å; Y252-M256 WeakPolarHBondContact O-CG 3.47Å; Y252-M256 PolarHBondContact O-N 2.97Å; Y252-M781 HydrophobicContact CD2-CE 3.82Å; Y252-M781 HydrophobicContact CD2-CG 3.99Å; Y252-M781 HydrophobicContact CD2-SD 3.69Å; Y252-M781 HydrophobicContact CE2-CE 3.9Å; Y252-M781 HydrophobicContact CE2-CG 4.39Å; Y252-M781 HydrophobicContact CE2-SD 4.31Å; Y252-R782 HydrophobicContact CE2-CB 4.45Å; Y252-R782 PolarHBondContact OH-NE 2.87Å; Y252-R782 PolarHBondContact OH-NH2 3.19Å; Y252-E785 HydrophobicContact CD1-CG 4.4Å; Y252-E785 HydrophobicContact CD2-CB 4.31Å; Y252-E785 HydrophobicContact CD2-CG 3.93Å; Y252-E785 HydrophobicContact CE2-CB 4.43Å; Y252-E785 HydrophobicContact CE2-CG 4.23Å; Y252-E785 HydrophobicContact CG-CG 4.03Å; Y252-F792 HydrophobicContact CE1-CE2 4.12Å; Y252-F792 AromaticContact CE1-CZ 3.65Å; Y252-F792 HydrophobicContact CE1-CZ 3.65Å; Y252-F792 HydrophobicContact CE2-CE2 4.31Å; Y252-F792 AromaticContact CZ-CE2 3.75Å; Y252-F792 AromaticContact CZ-CZ 3.74Å
253	R	93.6	Very high	92.7	Very high	196 Å²	196	63.3 Å²	63.3	74%	0.74	32%	0.318	S	S	*	.	H	α-helix	trans	-65.8	-40	179.3	-75.5	-170.7	175.4	102.6	-6.5	112.1	N251	N251-R253 VanDerWaalsContact C-N 3.27Å; N251-R253 PolarHBondContact O-N 2.96Å; N251-R253 PolarHBondContact OD1-N 3.47Å
254	Q	94.7	Very high	92.9	Very high	112 Å²	112	61.8 Å²	61.8	52%	0.523	31%	0.31	S	S	.	.	H	α-helix	trans	-67.9	-50.8	178.3	-177.6	-176.7	-34.4	0	0	111.2	N251 M256 V257 E258	N251-Q254 HydrophobicContact CB-CB 4.09Å; N251-Q254 PolarHBondContact O-N 3.33Å; N251-Q254 VanDerWaalsContact O-N 3.14Å; N251-Q254 PolarHBondContact OD1-N 2.8Å; N251-Q254 VanDerWaalsContact OD1-N 3.17Å; Q254-M256 VanDerWaalsContact C-N 3.27Å; Q254-M256 PolarHBondContact O-N 3.04Å; Q254-V257 WeakPolarHBondContact O-CA 3.42Å; Q254-V257 WeakPolarHBondContact O-CB 3.42Å; Q254-V257 PolarHBondContact O-N 3.07Å; Q254-E258 PolarHBondContact NE2-OE1 3.26Å; Q254-E258 VanDerWaalsContact NE2-OE1 3.14Å; Q254-E258 PolarHBondContact O-N 2.97Å
255	E	94.4	Very high	93	Very high	32 Å²	32	63.7 Å²	63.7	15%	0.15	31%	0.314	C	S	.	.	H	α-helix	trans	-61.7	-38.2	-178.1	-158.3	-172.7	118	0	0	111.1	W247 A249 N251 V257 E258 W259 F264 M781	W247-E255 WeakPolarHBondContact CZ2-OE1 3.15Å; W247-E255 PolarHBondContact NE1-OE1 2.8Å; W247-E255 VanDerWaalsContact NE1-OE1 3.11Å; W247-E255 PolarHBondContact NE1-OE2 3.29Å; A249-E255 HydrophobicContact CB-CB 4.28Å; A249-E255 WeakPolarHBondContact CB-OE2 3.24Å; N251-E255 PolarHBondContact O-N 2.57Å; N251-E255 VanDerWaalsContact O-N 3.14Å; E255-V257 PolarHBondContact O-N 3.21Å; E255-V257 VanDerWaalsContact O-N 3.11Å; E255-E258 WeakPolarHBondContact O-CA 3.23Å; E255-E258 WeakPolarHBondContact O-CB 3.3Å; E255-E258 PolarHBondContact O-N 3.47Å; E255-W259 PolarHBondContact O-N 3.23Å; E255-W259 PolarHBondContact OE1-NE1 3.04Å; E255-F264 HydrophobicContact CG-CZ 4.09Å; E255-M781 HydrophobicContact CB-CE 4.29Å; E255-M781 HydrophobicContact CB-SD 4Å; E255-M781 VanDerWaalsContact CD-SD 3.57Å; E255-M781 HydrophobicContact CG-CE 4.47Å; E255-M781 HydrophobicContact CG-SD 4.25Å; E255-M781 VanDerWaalsContact OE1-SD 3.4Å
256	M	93.6	Very high	92.9	Very high	44 Å²	44	65.5 Å²	65.5	22%	0.217	32%	0.32	C	S	.	.	H	α-helix	trans	-61.6	-14.9	172.5	-76.2	-62.6	-46.8	0	0	114.8	Y252 Q254 T778 M781	Y252-M256 HydrophobicContact CD1-CG 4.32Å; Y252-M256 HydrophobicContact CD2-CG 4.14Å; Y252-M256 HydrophobicContact CE1-CG 4Å; Y252-M256 HydrophobicContact CE2-CG 3.8Å; Y252-M256 HydrophobicContact CE2-SD 4.07Å; Y252-M256 HydrophobicContact CG-CG 4.39Å; Y252-M256 VanDerWaalsContact O-CB 3.28Å; Y252-M256 WeakPolarHBondContact O-CB 3.44Å; Y252-M256 WeakPolarHBondContact O-CG 3.47Å; Y252-M256 PolarHBondContact O-N 2.97Å; Q254-M256 VanDerWaalsContact C-N 3.27Å; Q254-M256 PolarHBondContact O-N 3.04Å; M256-T778 HydrophobicContact CE-CG2 4Å; M256-T778 HydrophobicContact SD-CG2 3.83Å; M256-M781 HydrophobicContact CG-CE 3.77Å; M256-M781 HydrophobicContact SD-CE 3.55Å; M256-M781 VanDerWaalsContact SD-CE 3.55Å
257	V	95.7	Very high	92.7	Very high	85 Å²	85	69.2 Å²	69.2	52%	0.515	35%	0.346	S	S	.	.	H	α-helix	trans	-84.1	-39.7	167.5	177.2	0	0	0	0	110.9	Q254 E255 W259 K260	Q254-V257 WeakPolarHBondContact O-CA 3.42Å; Q254-V257 WeakPolarHBondContact O-CB 3.42Å; Q254-V257 PolarHBondContact O-N 3.07Å; E255-V257 PolarHBondContact O-N 3.21Å; E255-V257 VanDerWaalsContact O-N 3.11Å; V257-W259 VanDerWaalsContact C-N 3.33Å; V257-W259 PolarHBondContact O-N 3.09Å; V257-K260 VanDerWaalsContact O-CB 3.24Å; V257-K260 WeakPolarHBondContact O-CB 3.44Å; V257-K260 WeakPolarHBondContact O-CG 3.23Å; V257-K260 PolarHBondContact O-N 3.15Å; V257-K260 VanDerWaalsContact O-N 3.07Å
258	E	94.6	Very high	92.6	Very high	78 Å²	78	69.9 Å²	69.9	36%	0.364	35%	0.351	S	S	.	.	H	α-helix	trans	-63.9	-37.7	178.1	-61.1	-178.4	-150.6	0	0	111.7	Q254 E255 K260 S261 F264	Q254-E258 PolarHBondContact NE2-OE1 3.26Å; Q254-E258 VanDerWaalsContact NE2-OE1 3.14Å; Q254-E258 PolarHBondContact O-N 2.97Å; E255-E258 WeakPolarHBondContact O-CA 3.23Å; E255-E258 WeakPolarHBondContact O-CB 3.3Å; E255-E258 PolarHBondContact O-N 3.47Å; E258-K260 PolarHBondContact O-N 3.42Å; E258-S261 VanDerWaalsContact O-CB 3.29Å; E258-S261 WeakPolarHBondContact O-CB 3.4Å; E258-S261 PolarHBondContact O-N 3.42Å; E258-F264 HydrophobicContact CB-CD1 4.38Å; E258-F264 HydrophobicContact CB-CD2 3.96Å; E258-F264 HydrophobicContact CB-CE1 4.37Å; E258-F264 HydrophobicContact CB-CE2 3.92Å; E258-F264 HydrophobicContact CB-CG 4.2Å; E258-F264 HydrophobicContact CB-CZ 4.14Å; E258-F264 WeakPolarHBondContact O-CB 3.37Å; E258-F264 WeakPolarHBondContact OE2-CE2 3.3Å
259	W	93	Very high	92.4	Very high	15 Å²	15	70.8 Å²	70.8	6%	0.057	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-14.1	170.8	-82	103.7	0	0	0	115.2	W247 E255 V257 S261 F264 R265 H268 D777 T778	W247-W259 HydrophobicContact CH2-CH2 4.47Å; W247-W259 AromaticContact CH2-CZ2 3.81Å; W247-W259 HydrophobicContact CH2-CZ2 3.81Å; W247-W259 AromaticContact CZ2-CZ2 3.85Å; W247-W259 HydrophobicContact CZ2-CZ2 3.85Å; E255-W259 PolarHBondContact O-N 3.23Å; E255-W259 PolarHBondContact OE1-NE1 3.04Å; V257-W259 VanDerWaalsContact C-N 3.33Å; V257-W259 PolarHBondContact O-N 3.09Å; W259-S261 VanDerWaalsContact C-N 3.28Å; W259-F264 AromaticContact CD1-CE1 3.89Å; W259-F264 HydrophobicContact CD2-CD1 4.14Å; W259-F264 AromaticContact CD2-CE1 3.88Å; W259-F264 HydrophobicContact CD2-CE1 3.88Å; W259-F264 AromaticContact CE2-CE1 3.83Å; W259-F264 HydrophobicContact CE3-CD1 4.44Å; W259-F264 HydrophobicContact CG-CD1 4.23Å; W259-F264 AromaticContact CG-CE1 3.95Å; W259-F264 HydrophobicContact CG-CE1 3.95Å; W259-F264 HydrophobicContact CZ2-CE1 4.46Å; W259-F264 AromaticContact NE1-CE1 3.77Å; W259-R265 HydrophobicContact CE3-CB 4.28Å; W259-R265 HydrophobicContact CE3-CG 4.07Å; W259-R265 HydrophobicContact CZ3-CG 4.09Å; W259-H268 HydrophobicContact CH2-CB 3.47Å; W259-H268 VanDerWaalsContact CH2-CB 3.47Å; W259-H268 HydrophobicContact CZ2-CB 3.83Å; W259-H268 HydrophobicContact CZ3-CB 4.07Å; W259-D777 HydrophobicContact CE3-CB 4.32Å; W259-D777 VanDerWaalsContact CH2-C 3.44Å; W259-D777 HydrophobicContact CH2-CB 4.2Å; W259-D777 HydrophobicContact CZ3-CB 3.7Å; W259-T778 HydrophobicContact CB-CG2 3.89Å; W259-T778 HydrophobicContact CD2-CG2 3.58Å; W259-T778 HydrophobicContact CE3-CG2 3.95Å; W259-T778 HydrophobicContact CG-CG2 3.56Å
260	K	91.1	Very high	92.3	Very high	147 Å²	147	72 Å²	72	64%	0.639	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-13.8	172.8	-56.6	173.1	-175.4	173.3	0	112.8	V257 E258	V257-K260 VanDerWaalsContact O-CB 3.24Å; V257-K260 WeakPolarHBondContact O-CB 3.44Å; V257-K260 WeakPolarHBondContact O-CG 3.23Å; V257-K260 PolarHBondContact O-N 3.15Å; V257-K260 VanDerWaalsContact O-N 3.07Å; E258-K260 PolarHBondContact O-N 3.42Å
261	S	91.9	Very high	92.3	Very high	64 Å²	64	74.7 Å²	74.7	45%	0.448	37%	0.368	S	S	.	.	S	Bend	trans	-81.9	121.8	175.9	179.7	0	0	0	0	110.8	E258 W259 G263 F264 R265	E258-S261 VanDerWaalsContact O-CB 3.29Å; E258-S261 WeakPolarHBondContact O-CB 3.4Å; E258-S261 PolarHBondContact O-N 3.42Å; W259-S261 VanDerWaalsContact C-N 3.28Å; S261-G263 PolarHBondContact O-N 3.33Å; S261-G263 VanDerWaalsContact O-N 3.1Å; S261-F264 PolarHBondContact O-N 3.03Å; S261-F264 VanDerWaalsContact O-N 3.14Å; S261-R265 WeakPolarHBondContact O-CB 3.27Å; S261-R265 PolarHBondContact O-N 3.16Å
262	D	87.5	Confident	92.1	Very high	69 Å²	69	71.5 Å²	71.5	37%	0.369	35%	0.352	S	S	.	.	H	α-helix	trans	-56	-28.2	176.7	-85.3	-48.5	0	0	0	112.5	R265 R266 K718	D262-R265 IonicContact OD1-NE 2.68Å; D262-R265 IonicContact OD1-NH2 3.15Å; D262-R265 PolarHBondContact OD1-NH2 2.91Å; D262-R266 WeakPolarHBondContact O-CB 3.49Å; D262-R266 WeakPolarHBondContact O-CD 3.16Å; D262-R266 VanDerWaalsContact O-CG 3.24Å; D262-R266 WeakPolarHBondContact O-CG 3.1Å; D262-R266 PolarHBondContact O-N 2.82Å; D262-K718 IonicContact OD2-NZ 2.76Å; D262-K718 PolarHBondContact OD2-NZ 2.98Å
263	G	91.4	Very high	92	Very high	46 Å²	46	74.5 Å²	74.5	47%	0.474	37%	0.367	S	S	.	.	H	α-helix	trans	-73.3	-48.3	175	0	0	0	0	0	113.4	S261 R266 S267	S261-G263 PolarHBondContact O-N 3.33Å; S261-G263 VanDerWaalsContact O-N 3.1Å; G263-R266 PolarHBondContact O-N 3.07Å; G263-S267 PolarHBondContact O-N 3.35Å; G263-S267 PolarHBondContact O-OG 3.05Å
264	F	92.6	Very high	91.7	Very high	43 Å²	43	65.3 Å²	65.3	19%	0.189	33%	0.332	C	S	.	.	H	α-helix	trans	-65.3	-41.2	178.6	-176.4	-80.1	0	0	0	111.4	E255 E258 W259 S261 S267 H268	E255-F264 HydrophobicContact CG-CZ 4.09Å; E258-F264 HydrophobicContact CB-CD1 4.38Å; E258-F264 HydrophobicContact CB-CD2 3.96Å; E258-F264 HydrophobicContact CB-CE1 4.37Å; E258-F264 HydrophobicContact CB-CE2 3.92Å; E258-F264 HydrophobicContact CB-CG 4.2Å; E258-F264 HydrophobicContact CB-CZ 4.14Å; E258-F264 WeakPolarHBondContact O-CB 3.37Å; E258-F264 WeakPolarHBondContact OE2-CE2 3.3Å; W259-F264 AromaticContact CD1-CE1 3.89Å; W259-F264 HydrophobicContact CD2-CD1 4.14Å; W259-F264 AromaticContact CD2-CE1 3.88Å; W259-F264 HydrophobicContact CD2-CE1 3.88Å; W259-F264 AromaticContact CE2-CE1 3.83Å; W259-F264 HydrophobicContact CE3-CD1 4.44Å; W259-F264 HydrophobicContact CG-CD1 4.23Å; W259-F264 AromaticContact CG-CE1 3.95Å; W259-F264 HydrophobicContact CG-CE1 3.95Å; W259-F264 HydrophobicContact CZ2-CE1 4.46Å; W259-F264 AromaticContact NE1-CE1 3.77Å; S261-F264 PolarHBondContact O-N 3.03Å; S261-F264 VanDerWaalsContact O-N 3.14Å; F264-S267 PolarHBondContact O-N 2.92Å; F264-S267 PolarHBondContact O-OG 2.92Å; F264-H268 AromaticContact CD1-ND1 3.43Å; F264-H268 WeakPolarHBondContact CD1-ND1 3.43Å; F264-H268 AromaticContact CD2-CE1 3.66Å; F264-H268 AromaticContact CD2-ND1 3.81Å; F264-H268 HydrophobicContact CE1-CB 4.47Å; F264-H268 AromaticContact CE1-CE1 3.84Å; F264-H268 AromaticContact CE1-ND1 3.34Å; F264-H268 VanDerWaalsContact CE1-ND1 3.34Å; F264-H268 WeakPolarHBondContact CE1-ND1 3.33Å; F264-H268 AromaticContact CE2-CE1 3.4Å; F264-H268 VanDerWaalsContact CE2-CE1 3.4Å; F264-H268 WeakPolarHBondContact CE2-CE1 3.21Å; F264-H268 AromaticContact CE2-ND1 3.75Å; F264-H268 AromaticContact CG-ND1 3.66Å; F264-H268 AromaticContact CZ-CE1 3.5Å; F264-H268 VanDerWaalsContact CZ-CE1 3.5Å; F264-H268 WeakPolarHBondContact CZ-CE1 3.22Å; F264-H268 AromaticContact CZ-ND1 3.51Å; F264-H268 PolarHBondContact O-N 3.04Å; F264-H268 PolarHBondContact O-ND1 3.22Å
265	R	90.2	Very high	91.1	Very high	65 Å²	65	64.8 Å²	64.8	25%	0.245	34%	0.339	C	S	.	.	H	α-helix	trans	-57.5	-54.5	175.8	-171.7	179.3	63.6	70.9	6.3	110	W259 S261 D262 S267 H268 T269 E497	W259-R265 HydrophobicContact CE3-CB 4.28Å; W259-R265 HydrophobicContact CE3-CG 4.07Å; W259-R265 HydrophobicContact CZ3-CG 4.09Å; S261-R265 WeakPolarHBondContact O-CB 3.27Å; S261-R265 PolarHBondContact O-N 3.16Å; D262-R265 IonicContact OD1-NE 2.68Å; D262-R265 IonicContact OD1-NH2 3.15Å; D262-R265 PolarHBondContact OD1-NH2 2.91Å; R265-S267 PolarHBondContact O-N 3.21Å; R265-S267 VanDerWaalsContact O-N 3.12Å; R265-H268 PolarHBondContact O-N 3.49Å; R265-T269 PolarHBondContact O-N 3.27Å; R265-T269 PolarHBondContact O-OG1 2.86Å; R265-E497 IonicContact NH2-OE2 2.74Å
266	R	88.2	Confident	90.5	Very high	151 Å²	151	65.8 Å²	65.8	57%	0.57	34%	0.343	S	S	*	.	H	α-helix	trans	-54.4	-32.2	179.4	-81.5	171	167.2	158.9	-8.1	115	D262 G263 E497	D262-R266 WeakPolarHBondContact O-CB 3.49Å; D262-R266 WeakPolarHBondContact O-CD 3.16Å; D262-R266 VanDerWaalsContact O-CG 3.24Å; D262-R266 WeakPolarHBondContact O-CG 3.1Å; D262-R266 PolarHBondContact O-N 2.82Å; G263-R266 PolarHBondContact O-N 3.07Å; R266-E497 IonicContact CZ-OE1 2.94Å; R266-E497 IonicContact NE-OE1 2.69Å; R266-E497 PolarHBondContact NE-OE1 2.67Å; R266-E497 IonicContact NE-OE2 3.77Å; R266-E497 PolarHBondContact NE-OE2 3.03Å; R266-E497 IonicContact NH2-OE1 3.48Å; R266-E497 PolarHBondContact NH2-OE1 3.3Å
267	S	91.6	Very high	89.6	Confident	84 Å²	84	70 Å²	70	59%	0.587	37%	0.371	S	S	*	.	H	α-helix	trans	-82.6	-20	178.3	58	0	0	0	0	114.3	G263 F264 R265	G263-S267 PolarHBondContact O-N 3.35Å; G263-S267 PolarHBondContact O-OG 3.05Å; F264-S267 PolarHBondContact O-N 2.92Å; F264-S267 PolarHBondContact O-OG 2.92Å; R265-S267 PolarHBondContact O-N 3.21Å; R265-S267 VanDerWaalsContact O-N 3.12Å
268	H	92.3	Very high	88.5	Confident	68 Å²	68	72 Å²	72	32%	0.315	37%	0.373	S	S	.	.	H	α-helix	trans	-112.1	-12	-176.6	-60.6	103.7	0	0	0	113.9	W259 F264 R265 V270	W259-H268 HydrophobicContact CH2-CB 3.47Å; W259-H268 VanDerWaalsContact CH2-CB 3.47Å; W259-H268 HydrophobicContact CZ2-CB 3.83Å; W259-H268 HydrophobicContact CZ3-CB 4.07Å; F264-H268 AromaticContact CD1-ND1 3.43Å; F264-H268 WeakPolarHBondContact CD1-ND1 3.43Å; F264-H268 AromaticContact CD2-CE1 3.66Å; F264-H268 AromaticContact CD2-ND1 3.81Å; F264-H268 HydrophobicContact CE1-CB 4.47Å; F264-H268 AromaticContact CE1-CE1 3.84Å; F264-H268 AromaticContact CE1-ND1 3.34Å; F264-H268 VanDerWaalsContact CE1-ND1 3.34Å; F264-H268 WeakPolarHBondContact CE1-ND1 3.33Å; F264-H268 AromaticContact CE2-CE1 3.4Å; F264-H268 VanDerWaalsContact CE2-CE1 3.4Å; F264-H268 WeakPolarHBondContact CE2-CE1 3.21Å; F264-H268 AromaticContact CE2-ND1 3.75Å; F264-H268 AromaticContact CG-ND1 3.66Å; F264-H268 AromaticContact CZ-CE1 3.5Å; F264-H268 VanDerWaalsContact CZ-CE1 3.5Å; F264-H268 WeakPolarHBondContact CZ-CE1 3.22Å; F264-H268 AromaticContact CZ-ND1 3.51Å; F264-H268 PolarHBondContact O-N 3.04Å; F264-H268 PolarHBondContact O-ND1 3.22Å; R265-H268 PolarHBondContact O-N 3.49Å; H268-V270 PolarHBondContact O-N 3.31Å
269	T	91.4	Very high	87.2	Confident	22 Å²	22	70.5 Å²	70.5	14%	0.135	37%	0.37	C	S	.	.			trans	-62.3	114.8	170.9	-58.8	0	0	0	0	111	R265 H775 V776 D777	R265-T269 PolarHBondContact O-N 3.27Å; R265-T269 PolarHBondContact O-OG1 2.86Å; T269-H775 HydrophobicContact CG2-CB 3.75Å; T269-V776 CarbonylContact C-O 3.36Å; T269-V776 WeakPolarHBondContact CA-O 3.45Å; T269-D777 WeakPolarHBondContact CB-OD1 3.39Å; T269-D777 VanDerWaalsContact CG2-OD1 3.27Å; T269-D777 WeakPolarHBondContact CG2-OD1 3.49Å; T269-D777 PolarHBondContact OG1-OD1 3.49Å
270	V	91.7	Very high	86.1	Confident	30 Å²	30	72.1 Å²	72.1	18%	0.182	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	120.9	170.7	177.4	0	0	0	0	109.2	Y245 H268 V272 V776 L780	Y245-V270 HydrophobicContact CD1-CG1 3.87Å; Y245-V270 HydrophobicContact CD1-CG2 3.81Å; Y245-V270 HydrophobicContact CE1-CG1 3.95Å; Y245-V270 HydrophobicContact CE1-CG2 4.47Å; Y245-V270 HydrophobicContact CG-CG1 4.21Å; Y245-V270 HydrophobicContact CG-CG2 4.36Å; H268-V270 PolarHBondContact O-N 3.31Å; V270-V272 HydrophobicContact CG1-CG2 4.06Å; V270-V776 HydrophobicContact CB-CB 4.45Å; V270-V776 PolarHBondContact N-O 2.8Å; V270-V776 PolarHBondContact O-N 3.02Å; V270-L780 HydrophobicContact CB-CD1 4.18Å; V270-L780 HydrophobicContact CG2-CD1 3.62Å
271	K	91	Very high	85.1	Confident	110 Å²	110	70 Å²	70	48%	0.478	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	124.6	175	-56	-159.9	-179.6	-142	0	110.3	H775	K271-H775 WeakPolarHBondContact CD-NE2 3.43Å; K271-H775 WeakPolarHBondContact CE-NE2 3.4Å; K271-H775 PolarHBondContact NZ-NE2 3.03Å
272	V	90.7	Very high	84.2	Confident	17 Å²	17	74 Å²	74	10%	0.103	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	126.3	-176.1	-178.6	0	0	0	0	109.5	L237 L241 V270 Q773 I774 V776	L237-V272 HydrophobicContact CD1-CG1 4.18Å; L241-V272 HydrophobicContact CD2-CG2 3.79Å; V270-V272 HydrophobicContact CG1-CG2 4.06Å; V272-Q773 WeakPolarHBondContact O-CA 3.47Å; V272-I774 HydrophobicContact CB-CD1 4.45Å; V272-I774 HydrophobicContact CB-CG1 3.84Å; V272-I774 HydrophobicContact CG1-CG1 4.41Å; V272-I774 PolarHBondContact N-O 3.3Å; V272-I774 PolarHBondContact O-N 3.14Å; V272-V776 HydrophobicContact CG2-CG2 3.76Å
273	Q	90.1	Very high	83.3	Confident	86 Å²	86	75.3 Å²	75.3	40%	0.402	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	120	173.4	-168.1	64.9	53.3	0	0	109.9	D769 Y772	Q273-D769 PolarHBondContact NE2-O 3.34Å; Q273-D769 PolarHBondContact OE1-O 3.48Å; Q273-Y772 VanDerWaalsContact NE2-C 3.3Å; Q273-Y772 PolarHBondContact NE2-O 2.85Å
274	L	87.5	Confident	82	Confident	3 Å²	3	74.9 Å²	74.9	2%	0.016	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-79.7	151	172	-60.9	177.9	0	0	0	110.8	H229 R232 L237 F276 Y772 I774	H229-L274 HydrophobicContact CB-CD1 3.55Å; R232-L274 HydrophobicContact CB-CD1 4.17Å; L237-L274 HydrophobicContact CD2-CD2 3.44Å; L237-L274 VanDerWaalsContact CD2-CD2 3.44Å; L274-F276 PolarHBondContact O-N 2.94Å; L274-Y772 VanDerWaalsContact CB-O 3.27Å; L274-Y772 WeakPolarHBondContact CB-O 3.22Å; L274-Y772 PolarHBondContact N-O 3.24Å; L274-I774 HydrophobicContact CD1-CD1 4.47Å; L274-I774 HydrophobicContact CD1-CG2 3.83Å; L274-I774 HydrophobicContact CD2-CD1 4.02Å; L274-I774 HydrophobicContact CD2-CG1 4.48Å; L274-I774 HydrophobicContact CG-CD1 4.37Å; L274-I774 HydrophobicContact CG-CG1 4.41Å; L274-I774 HydrophobicContact CG-CG2 4.35Å
275	P	82.5	Confident	80.7	Confident	101 Å²	101	79.1 Å²	79.1	66%	0.656	41%	0.406	S	S	*	.	P	Polyproline II helix	trans	-66.4	132.5	177.8	27.3	-34.8	0	0	0	111.4
276	F	81.5	Confident	79.9	Confident	54 Å²	54	78.8 Å²	78.8	24%	0.237	42%	0.418	C	S	.	.			trans	-151.2	148.5	177.1	75.5	-72.9	0	0	0	112.1	L274 K278 L768 D769 Y772	L274-F276 PolarHBondContact O-N 2.94Å; F276-K278 HydrophobicContact CD2-CG 4.18Å; F276-K278 HydrophobicContact CE2-CD 4.2Å; F276-K278 HydrophobicContact CE2-CG 3.44Å; F276-K278 VanDerWaalsContact CE2-CG 3.44Å; F276-K278 HydrophobicContact CZ-CD 4.43Å; F276-K278 VanDerWaalsContact CZ-CE 3.48Å; F276-K278 HydrophobicContact CZ-CG 4.06Å; F276-L768 HydrophobicContact CD2-CB 3.93Å; F276-L768 HydrophobicContact CE2-CB 3.61Å; F276-D769 HydrophobicContact CE1-CB 3.94Å; F276-D769 HydrophobicContact CE2-CB 4.5Å; F276-D769 HydrophobicContact CZ-CB 3.55Å; F276-Y772 HydrophobicContact CB-CD1 4.24Å; F276-Y772 HydrophobicContact CB-CD2 3.16Å; F276-Y772 HydrophobicContact CB-CE1 4.49Å; F276-Y772 HydrophobicContact CB-CE2 3.49Å; F276-Y772 VanDerWaalsContact CB-CE2 3.49Å; F276-Y772 HydrophobicContact CB-CG 3.58Å; F276-Y772 HydrophobicContact CD1-CD2 4.09Å; F276-Y772 HydrophobicContact CD1-CG 4.31Å; F276-Y772 AromaticContact CD2-CD2 3.56Å; F276-Y772 HydrophobicContact CD2-CD2 3.56Å; F276-Y772 HydrophobicContact CD2-CE2 4.02Å; F276-Y772 HydrophobicContact CE2-CD2 4.42Å; F276-Y772 AromaticContact CG-CD2 3.35Å; F276-Y772 HydrophobicContact CG-CD2 3.35Å; F276-Y772 HydrophobicContact CG-CE2 4.01Å; F276-Y772 AromaticContact CG-CG 3.93Å; F276-Y772 HydrophobicContact CG-CG 3.93Å
277	T	76.3	Confident	78.8	Confident	131 Å²	131	74.6 Å²	74.6	80%	0.804	41%	0.406	S	S	*	.	P	Polyproline II helix	trans	-92	118.9	173.1	-42	0	0	0	0	108.6	P279	T277-P279 WeakPolarHBondContact O-CD 3.35Å
278	K	72.5	Confident	77.3	Confident	128 Å²	128	71.8 Å²	71.8	56%	0.557	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-68.3	120.1	164	-71.9	-169.9	178.1	-165.5	0	107.6	F276 D769	F276-K278 HydrophobicContact CD2-CG 4.18Å; F276-K278 HydrophobicContact CE2-CD 4.2Å; F276-K278 HydrophobicContact CE2-CG 3.44Å; F276-K278 VanDerWaalsContact CE2-CG 3.44Å; F276-K278 HydrophobicContact CZ-CD 4.43Å; F276-K278 VanDerWaalsContact CZ-CE 3.48Å; F276-K278 HydrophobicContact CZ-CG 4.06Å; K278-D769 VanDerWaalsContact CE-OD2 3.22Å; K278-D769 WeakPolarHBondContact CE-OD2 3.41Å; K278-D769 IonicContact NZ-OD2 3.62Å; K278-D769 PolarHBondContact NZ-OD2 3.44Å
279	P	67	Low	76.2	Confident	47 Å²	47	72.3 Å²	72.3	31%	0.305	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-64.8	144.9	180	27.2	-33.5	0	0	0	109.9	T277 D283 L284 V761 L768	T277-P279 WeakPolarHBondContact O-CD 3.35Å; P279-D283 HydrophobicContact CB-CB 4.41Å; P279-L284 HydrophobicContact CB-CD2 4.28Å; P279-L284 HydrophobicContact CB-CG 4.37Å; P279-L284 HydrophobicContact CG-CD2 3.88Å; P279-L284 HydrophobicContact CG-CG 4.25Å; P279-V761 HydrophobicContact CG-CG1 4.05Å; P279-L768 VanDerWaalsContact CD-CD1 3.48Å; P279-L768 HydrophobicContact CG-CD1 4.14Å
280	S	70	Confident	75.2	Confident	48 Å²	48	80.2 Å²	80.2	34%	0.336	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-69.1	158.8	-179	74.5	0	0	0	0	111.4	E282 D283 L284	S280-E282 PolarHBondContact O-N 2.88Å; S280-E282 VanDerWaalsContact O-N 3.09Å; S280-E282 PolarHBondContact OG-N 2.97Å; S280-D283 VanDerWaalsContact CB-OD2 3.25Å; S280-D283 WeakPolarHBondContact CB-OD2 3.49Å; S280-D283 PolarHBondContact N-OD2 2.9Å; S280-D283 PolarHBondContact O-N 3.45Å; S280-D283 PolarHBondContact OG-N 3.5Å; S280-D283 PolarHBondContact OG-OD2 2.95Å; S280-L284 VanDerWaalsContact O-CG 3.3Å; S280-L284 WeakPolarHBondContact O-CG 3.45Å; S280-L284 PolarHBondContact O-N 3Å; S280-L284 VanDerWaalsContact O-N 3.09Å
281	T	70.3	Confident	73.7	Confident	103 Å²	103	80.4 Å²	80.4	63%	0.632	42%	0.419	S	S	*	.	H	α-helix	trans	-63.9	-11.9	173.6	53.4	0	0	0	0	113	K285	T281-K285 VanDerWaalsContact O-CD 3.28Å; T281-K285 WeakPolarHBondContact O-CD 3.24Å; T281-K285 WeakPolarHBondContact O-CE 3.49Å; T281-K285 VanDerWaalsContact O-CG 3.28Å; T281-K285 WeakPolarHBondContact O-CG 3.22Å
282	E	72.1	Confident	72.1	Confident	147 Å²	147	81.1 Å²	81.1	69%	0.687	42%	0.419	S	S	*	.	H	α-helix	trans	-89.6	-45.4	173.9	-56.8	-169.4	154.3	0	0	111.3	S280 L284 K285 A286	S280-E282 PolarHBondContact O-N 2.88Å; S280-E282 VanDerWaalsContact O-N 3.09Å; S280-E282 PolarHBondContact OG-N 2.97Å; E282-L284 VanDerWaalsContact C-N 3.25Å; E282-L284 PolarHBondContact O-N 3.44Å; E282-K285 PolarHBondContact O-N 3.4Å; E282-K285 VanDerWaalsContact O-N 3.11Å; E282-A286 WeakPolarHBondContact O-CB 3.37Å; E282-A286 PolarHBondContact O-N 3.4Å
283	D	68.9	Low	71.2	Confident	97 Å²	97	83 Å²	83	52%	0.519	44%	0.436	S	S	.	.	H	α-helix	trans	-55	-43.1	173.1	-63.7	-57.3	0	0	0	111.4	P279 S280 K285 A286 L287	P279-D283 HydrophobicContact CB-CB 4.41Å; S280-D283 VanDerWaalsContact CB-OD2 3.25Å; S280-D283 WeakPolarHBondContact CB-OD2 3.49Å; S280-D283 PolarHBondContact N-OD2 2.9Å; S280-D283 PolarHBondContact O-N 3.45Å; S280-D283 PolarHBondContact OG-N 3.5Å; S280-D283 PolarHBondContact OG-OD2 2.95Å; D283-K285 PolarHBondContact O-N 2.86Å; D283-A286 PolarHBondContact O-N 3.46Å; D283-L287 VanDerWaalsContact O-CB 3.29Å; D283-L287 WeakPolarHBondContact O-CB 3.5Å; D283-L287 PolarHBondContact O-N 3.36Å
284	L	62.8	Low	70	Confident	38 Å²	38	84.6 Å²	84.6	20%	0.199	44%	0.443	C	S	.	.	H	α-helix	trans	-60.9	-42.4	178	-70.4	175.7	0	0	0	112.3	P279 S280 E282 A288 V761 T762	P279-L284 HydrophobicContact CB-CD2 4.28Å; P279-L284 HydrophobicContact CB-CG 4.37Å; P279-L284 HydrophobicContact CG-CD2 3.88Å; P279-L284 HydrophobicContact CG-CG 4.25Å; S280-L284 VanDerWaalsContact O-CG 3.3Å; S280-L284 WeakPolarHBondContact O-CG 3.45Å; S280-L284 PolarHBondContact O-N 3Å; S280-L284 VanDerWaalsContact O-N 3.09Å; E282-L284 VanDerWaalsContact C-N 3.25Å; E282-L284 PolarHBondContact O-N 3.44Å; L284-A288 WeakPolarHBondContact O-CB 3.33Å; L284-A288 PolarHBondContact O-N 2.65Å; L284-V761 HydrophobicContact CD2-CB 3.56Å; L284-V761 HydrophobicContact CD2-CG1 3.77Å; L284-T762 HydrophobicContact CB-CG2 3.95Å; L284-T762 HydrophobicContact CD2-CG2 4.23Å
285	K	65.2	Low	68.7	Low	131 Å²	131	88.3 Å²	88.3	57%	0.57	47%	0.466	S	S	*	.	H	α-helix	trans	-67.7	-50.9	176.2	-70.4	167.5	-171.8	169.8	0	110.7	T281 E282 D283 L287 A288 D289	T281-K285 VanDerWaalsContact O-CD 3.28Å; T281-K285 WeakPolarHBondContact O-CD 3.24Å; T281-K285 WeakPolarHBondContact O-CE 3.49Å; T281-K285 VanDerWaalsContact O-CG 3.28Å; T281-K285 WeakPolarHBondContact O-CG 3.22Å; E282-K285 PolarHBondContact O-N 3.4Å; E282-K285 VanDerWaalsContact O-N 3.11Å; D283-K285 PolarHBondContact O-N 2.86Å; K285-L287 VanDerWaalsContact C-N 3.29Å; K285-L287 PolarHBondContact O-N 3.47Å; K285-A288 CarbonylContact O-C 3.55Å; K285-A288 WeakPolarHBondContact O-CA 3.46Å; K285-A288 WeakPolarHBondContact O-CB 3.46Å; K285-A288 PolarHBondContact O-N 2.8Å; K285-D289 PolarHBondContact O-N 3.2Å; K285-D289 VanDerWaalsContact O-OD2 3.13Å
286	A	74.2	Confident	67.8	Low	59 Å²	59	90 Å²	90	49%	0.488	47%	0.466	S	S	.	.	H	α-helix	trans	-58.9	-38.2	-179.3	0	0	0	0	0	112.5	E282 D283 R290	E282-A286 WeakPolarHBondContact O-CB 3.37Å; E282-A286 PolarHBondContact O-N 3.4Å; D283-A286 PolarHBondContact O-N 3.46Å; A286-R290 VanDerWaalsContact O-CB 3.26Å; A286-R290 WeakPolarHBondContact O-CB 3.45Å; A286-R290 PolarHBondContact O-N 3.48Å
287	L	65.7	Low	67.1	Low	63 Å²	63	96.6 Å²	96.6	33%	0.33	49%	0.489	S	S	.	.	H	α-helix	trans	-65.6	-42.5	173.7	-176	62.8	0	0	0	111.9	D283 K285 K291	D283-L287 VanDerWaalsContact O-CB 3.29Å; D283-L287 WeakPolarHBondContact O-CB 3.5Å; D283-L287 PolarHBondContact O-N 3.36Å; K285-L287 VanDerWaalsContact C-N 3.29Å; K285-L287 PolarHBondContact O-N 3.47Å; L287-K291 HydrophobicContact CG-CD 4.48Å; L287-K291 VanDerWaalsContact O-CG 3.32Å; L287-K291 WeakPolarHBondContact O-CG 3.48Å; L287-K291 PolarHBondContact O-N 3.11Å; L287-K291 VanDerWaalsContact O-N 3.12Å
288	A	60.3	Low	66.6	Low	25 Å²	25	95.7 Å²	95.7	21%	0.207	48%	0.479	C	S	.	.	H	α-helix	trans	-68	-38.5	177.2	0	0	0	0	0	112.6	L284 K285 K291 R292	L284-A288 WeakPolarHBondContact O-CB 3.33Å; L284-A288 PolarHBondContact O-N 2.65Å; K285-A288 CarbonylContact O-C 3.55Å; K285-A288 WeakPolarHBondContact O-CA 3.46Å; K285-A288 WeakPolarHBondContact O-CB 3.46Å; K285-A288 PolarHBondContact O-N 2.8Å; A288-K291 PolarHBondContact O-N 3.42Å; A288-R292 PolarHBondContact O-N 3.41Å
289	D	67.6	Low	66.5	Low	78 Å²	78	94 Å²	94	42%	0.417	48%	0.475	S	S	.	.	H	α-helix	trans	-64.7	-47.8	174.6	-67.5	-41	0	0	0	111	K285 K291 R292 A293	K285-D289 PolarHBondContact O-N 3.2Å; K285-D289 VanDerWaalsContact O-OD2 3.13Å; D289-K291 PolarHBondContact O-N 3.16Å; D289-R292 PolarHBondContact O-N 2.84Å; D289-R292 IonicContact OD1-CZ 2.68Å; D289-R292 IonicContact OD1-NH1 3.12Å; D289-R292 PolarHBondContact OD1-NH1 2.92Å; D289-R292 IonicContact OD1-NH2 3.76Å; D289-R292 PolarHBondContact OD1-NH2 3.4Å; D289-A293 PolarHBondContact O-N 2.95Å
290	R	70.4	Confident	66.7	Low	189 Å²	189	93.7 Å²	93.7	71%	0.713	47%	0.474	S	S	*	.	H	α-helix	trans	-57.2	-37.7	176.5	-176.9	174.5	178.3	170	-0.3	112.2	A286 Q294	A286-R290 VanDerWaalsContact O-CB 3.26Å; A286-R290 WeakPolarHBondContact O-CB 3.45Å; A286-R290 PolarHBondContact O-N 3.48Å; R290-Q294 PolarHBondContact O-N 2.85Å
291	K	60.1	Low	66.9	Low	34 Å²	34	95.6 Å²	95.6	15%	0.148	48%	0.484	C	S	.	.	H	α-helix	trans	-73.1	-41.8	176.3	-74	174.7	-178.8	-171.6	0	113.2	L287 A288 D289 A293 Q294 T295 K757 D758 L759	L287-K291 HydrophobicContact CG-CD 4.48Å; L287-K291 VanDerWaalsContact O-CG 3.32Å; L287-K291 WeakPolarHBondContact O-CG 3.48Å; L287-K291 PolarHBondContact O-N 3.11Å; L287-K291 VanDerWaalsContact O-N 3.12Å; A288-K291 PolarHBondContact O-N 3.42Å; D289-K291 PolarHBondContact O-N 3.16Å; K291-A293 VanDerWaalsContact C-N 3.29Å; K291-A293 PolarHBondContact O-N 3.21Å; K291-Q294 PolarHBondContact O-N 3.42Å; K291-Q294 VanDerWaalsContact O-N 3.11Å; K291-T295 PolarHBondContact O-N 3.47Å; K291-T295 PolarHBondContact O-OG1 3.32Å; K291-K757 WeakPolarHBondContact CE-O 3.38Å; K291-K757 PolarHBondContact NZ-O 2.69Å; K291-D758 WeakPolarHBondContact CD-O 3.45Å; K291-D758 WeakPolarHBondContact CE-O 3.36Å; K291-D758 PolarHBondContact NZ-O 3.48Å; K291-L759 WeakPolarHBondContact CD-O 3.33Å; K291-L759 PolarHBondContact NZ-O 2.97Å; K291-L759 VanDerWaalsContact NZ-O 3.1Å
292	R	59.1	Low	66.9	Low	125 Å²	125	95.5 Å²	95.5	47%	0.472	48%	0.476	S	S	.	.	H	α-helix	trans	-55.6	-46.6	172.5	-82.7	-178.2	-94.3	114.5	5	110.8	A288 D289 Q294 T295 E296	A288-R292 PolarHBondContact O-N 3.41Å; D289-R292 PolarHBondContact O-N 2.84Å; D289-R292 IonicContact OD1-CZ 2.68Å; D289-R292 IonicContact OD1-NH1 3.12Å; D289-R292 PolarHBondContact OD1-NH1 2.92Å; D289-R292 IonicContact OD1-NH2 3.76Å; D289-R292 PolarHBondContact OD1-NH2 3.4Å; R292-Q294 PolarHBondContact O-N 3.21Å; R292-T295 PolarHBondContact O-N 2.81Å; R292-E296 WeakPolarHBondContact O-CB 3.22Å; R292-E296 PolarHBondContact O-N 3.39Å
293	A	70.4	Confident	67	Low	56 Å²	56	93 Å²	93	46%	0.463	46%	0.46	S	S	.	.	H	α-helix	trans	-62.7	-37	174.8	0	0	0	0	0	113.8	D289 K291 R297	D289-A293 PolarHBondContact O-N 2.95Å; K291-A293 VanDerWaalsContact C-N 3.29Å; K291-A293 PolarHBondContact O-N 3.21Å; A293-R297 VanDerWaalsContact O-CB 3.24Å; A293-R297 WeakPolarHBondContact O-CB 3.18Å; A293-R297 PolarHBondContact O-N 2.98Å
294	Q	65.2	Low	67.6	Low	119 Å²	119	95 Å²	95	56%	0.556	46%	0.464	S	S	*	.	H	α-helix	trans	-68.1	-44.7	176.3	-178.6	170.9	-20.7	0	0	112.3	R290 K291 R292 R297 L298	R290-Q294 PolarHBondContact O-N 2.85Å; K291-Q294 PolarHBondContact O-N 3.42Å; K291-Q294 VanDerWaalsContact O-N 3.11Å; R292-Q294 PolarHBondContact O-N 3.21Å; Q294-R297 PolarHBondContact O-N 3.37Å; Q294-L298 HydrophobicContact CG-CD1 4.49Å; Q294-L298 WeakPolarHBondContact O-CG 3.38Å; Q294-L298 PolarHBondContact O-N 2.66Å
295	T	59.9	Low	68.4	Low	81 Å²	81	101.8 Å²	101.8	50%	0.497	49%	0.487	S	S	.	.	H	α-helix	trans	-64.9	-44.9	177.2	-59.6	0	0	0	0	111.3	K291 R292 R297 L298 L299	K291-T295 PolarHBondContact O-N 3.47Å; K291-T295 PolarHBondContact O-OG1 3.32Å; R292-T295 PolarHBondContact O-N 2.81Å; T295-R297 VanDerWaalsContact C-N 3.33Å; T295-R297 PolarHBondContact O-N 3.28Å; T295-L298 PolarHBondContact O-N 3.37Å; T295-L299 HydrophobicContact CG2-CD1 4.24Å; T295-L299 WeakPolarHBondContact O-CG 3.39Å; T295-L299 PolarHBondContact O-N 2.99Å
296	E	64.5	Low	69	Low	138 Å²	138	96.7 Å²	96.7	65%	0.645	47%	0.465	S	S	*	.	H	α-helix	trans	-59.1	-43.9	174.2	-173.6	-176.2	179.5	0	0	111.5	R292 L298 L299 S300	R292-E296 WeakPolarHBondContact O-CB 3.22Å; R292-E296 PolarHBondContact O-N 3.39Å; E296-L298 VanDerWaalsContact C-N 3.35Å; E296-L298 PolarHBondContact O-N 3.48Å; E296-L299 PolarHBondContact O-N 2.93Å; E296-S300 WeakPolarHBondContact O-CB 3.47Å; E296-S300 PolarHBondContact O-N 3.39Å
297	R	67.4	Low	69.5	Low	192 Å²	192	98.4 Å²	98.4	73%	0.725	46%	0.463	S	S	*	.	H	α-helix	trans	-59.6	-43.9	176.1	-173.7	174.6	-179.1	172	0.4	111.7	A293 Q294 T295 S300 V301	A293-R297 VanDerWaalsContact O-CB 3.24Å; A293-R297 WeakPolarHBondContact O-CB 3.18Å; A293-R297 PolarHBondContact O-N 2.98Å; Q294-R297 PolarHBondContact O-N 3.37Å; T295-R297 VanDerWaalsContact C-N 3.33Å; T295-R297 PolarHBondContact O-N 3.28Å; R297-S300 PolarHBondContact O-N 3.37Å; R297-S300 PolarHBondContact O-OG 3.42Å; R297-V301 WeakPolarHBondContact O-CG2 3.46Å; R297-V301 PolarHBondContact O-N 2.95Å; R297-V301 VanDerWaalsContact O-N 3.09Å
298	L	65.8	Low	70.5	Confident	112 Å²	112	102.6 Å²	102.6	59%	0.586	48%	0.479	S	S	*	.	H	α-helix	trans	-63.3	-45.4	176.1	-72.7	169.6	0	0	0	112.2	Q294 T295 E296 S300 V301 H302	Q294-L298 HydrophobicContact CG-CD1 4.49Å; Q294-L298 WeakPolarHBondContact O-CG 3.38Å; Q294-L298 PolarHBondContact O-N 2.66Å; T295-L298 PolarHBondContact O-N 3.37Å; E296-L298 VanDerWaalsContact C-N 3.35Å; E296-L298 PolarHBondContact O-N 3.48Å; L298-S300 VanDerWaalsContact C-N 3.31Å; L298-S300 PolarHBondContact O-N 2.98Å; L298-V301 PolarHBondContact O-N 2.79Å; L298-H302 PolarHBondContact O-N 3.09Å
299	L	69.2	Low	71.5	Confident	91 Å²	91	106.2 Å²	106.2	48%	0.476	49%	0.491	S	S	.	.	H	α-helix	trans	-59.8	-40.4	174.5	-69.8	170.6	0	0	0	111.6	T295 E296 V301 H302 R303	T295-L299 HydrophobicContact CG2-CD1 4.24Å; T295-L299 WeakPolarHBondContact O-CG 3.39Å; T295-L299 PolarHBondContact O-N 2.99Å; E296-L299 PolarHBondContact O-N 2.93Å; L299-V301 VanDerWaalsContact C-N 3.33Å; L299-V301 PolarHBondContact O-N 2.79Å; L299-H302 PolarHBondContact O-N 3.19Å; L299-R303 WeakPolarHBondContact O-CB 3.46Å; L299-R303 PolarHBondContact O-N 3.26Å
300	S	71.9	Confident	72.4	Confident	42 Å²	42	104 Å²	104	29%	0.294	48%	0.478	S	S	.	.	H	α-helix	trans	-63.7	-36.5	176.8	85.9	0	0	0	0	112.8	E296 R297 L298 K304	E296-S300 WeakPolarHBondContact O-CB 3.47Å; E296-S300 PolarHBondContact O-N 3.39Å; R297-S300 PolarHBondContact O-N 3.37Å; R297-S300 PolarHBondContact O-OG 3.42Å; L298-S300 VanDerWaalsContact C-N 3.31Å; L298-S300 PolarHBondContact O-N 2.98Å; S300-K304 WeakPolarHBondContact O-CB 3.48Å; S300-K304 VanDerWaalsContact O-CG 3.29Å; S300-K304 WeakPolarHBondContact O-CG 3.39Å; S300-K304 PolarHBondContact O-N 3.43Å
301	V	73.8	Confident	73.2	Confident	88 Å²	88	98.7 Å²	98.7	53%	0.533	46%	0.461	S	S	.	.	H	α-helix	trans	-70.6	-42	175.7	170.4	0	0	0	0	110.5	R297 L298 L299 K304 R305	R297-V301 WeakPolarHBondContact O-CG2 3.46Å; R297-V301 PolarHBondContact O-N 2.95Å; R297-V301 VanDerWaalsContact O-N 3.09Å; L298-V301 PolarHBondContact O-N 2.79Å; L299-V301 VanDerWaalsContact C-N 3.33Å; L299-V301 PolarHBondContact O-N 2.79Å; V301-K304 PolarHBondContact O-N 3.2Å; V301-R305 PolarHBondContact O-N 3.33Å
302	H	69.9	Low	74.4	Confident	101 Å²	101	100.6 Å²	100.6	47%	0.468	48%	0.479	S	S	.	.	H	α-helix	trans	-63.4	-46.8	176.8	-161.6	-79.4	0	0	0	111.8	L298 L299 K304 R305 Q306	L298-H302 PolarHBondContact O-N 3.09Å; L299-H302 PolarHBondContact O-N 3.19Å; H302-K304 PolarHBondContact O-N 2.9Å; H302-R305 WeakPolarHBondContact O-CB 3.4Å; H302-R305 PolarHBondContact O-N 2.83Å; H302-R305 VanDerWaalsContact O-N 3.09Å; H302-Q306 VanDerWaalsContact CE1-CD 3.47Å; H302-Q306 PolarHBondContact CE1-OE1 3.2Å; H302-Q306 VanDerWaalsContact ND1-CD 3.29Å; H302-Q306 PolarHBondContact ND1-OE1 2.83Å; H302-Q306 PolarHBondContact O-N 3.02Å; H302-Q306 PolarHBondContact O-OE1 2.86Å
303	R	75.3	Confident	75.7	Confident	93 Å²	93	95.6 Å²	95.6	35%	0.351	46%	0.462	S	S	.	.	H	α-helix	trans	-58	-44.8	175.4	-170.8	-174.4	-78.2	149.8	-4.4	111.4	L299 R305 Q306 Q307 L368 S371	L299-R303 WeakPolarHBondContact O-CB 3.46Å; L299-R303 PolarHBondContact O-N 3.26Å; R303-R305 VanDerWaalsContact C-N 3.34Å; R303-R305 PolarHBondContact O-N 2.66Å; R303-Q306 PolarHBondContact O-N 3.39Å; R303-Q307 WeakPolarHBondContact O-CB 3.36Å; R303-Q307 PolarHBondContact O-N 3.03Å; R303-L368 HydrophobicContact CG-CD2 4.26Å; R303-S371 PolarHBondContact NH2-O 3.14Å
304	K	81.7	Confident	76.5	Confident	141 Å²	141	96.7 Å²	96.7	61%	0.613	46%	0.458	S	S	*	.	H	α-helix	trans	-63.2	-35.1	174.8	-77.2	174	178.6	176.6	0	113.1	S300 V301 H302 K308	S300-K304 WeakPolarHBondContact O-CB 3.48Å; S300-K304 VanDerWaalsContact O-CG 3.29Å; S300-K304 WeakPolarHBondContact O-CG 3.39Å; S300-K304 PolarHBondContact O-N 3.43Å; V301-K304 PolarHBondContact O-N 3.2Å; H302-K304 PolarHBondContact O-N 2.9Å; K304-K308 WeakPolarHBondContact O-CG 3.46Å; K304-K308 PolarHBondContact O-N 3.02Å; K304-K308 VanDerWaalsContact O-N 3.08Å
305	R	77.8	Confident	77.6	Confident	179 Å²	179	97 Å²	97	68%	0.675	46%	0.459	S	S	*	.	H	α-helix	trans	-69	-45.3	175.4	-172	178	-179.2	-177.2	-0.8	111.8	V301 H302 R303 K308 Q309	V301-R305 PolarHBondContact O-N 3.33Å; H302-R305 WeakPolarHBondContact O-CB 3.4Å; H302-R305 PolarHBondContact O-N 2.83Å; H302-R305 VanDerWaalsContact O-N 3.09Å; R303-R305 VanDerWaalsContact C-N 3.34Å; R303-R305 PolarHBondContact O-N 2.66Å; R305-K308 PolarHBondContact O-N 2.58Å; R305-Q309 PolarHBondContact O-N 3.45Å
306	Q	79.2	Confident	78.8	Confident	25 Å²	25	97.4 Å²	97.4	12%	0.117	45%	0.452	C	S	.	.	H	α-helix	trans	-61.9	-42.6	175.4	-74.4	168.6	-65.7	0	0	111.9	H302 R303 Q309 F310 L368	H302-Q306 VanDerWaalsContact CE1-CD 3.47Å; H302-Q306 PolarHBondContact CE1-OE1 3.2Å; H302-Q306 VanDerWaalsContact ND1-CD 3.29Å; H302-Q306 PolarHBondContact ND1-OE1 2.83Å; H302-Q306 PolarHBondContact O-N 3.02Å; H302-Q306 PolarHBondContact O-OE1 2.86Å; R303-Q306 PolarHBondContact O-N 3.39Å; Q306-Q309 PolarHBondContact O-N 3.5Å; Q306-F310 PolarHBondContact O-N 3.06Å; Q306-L368 HydrophobicContact CB-CD2 4.47Å
307	Q	83.4	Confident	79.8	Confident	94 Å²	94	91.6 Å²	91.6	44%	0.439	43%	0.425	S	S	.	.	H	α-helix	trans	-62.1	-48.5	176.5	-177.6	177.3	-20.1	0	0	111.9	R303 Q309 F310 E311 L368	R303-Q307 WeakPolarHBondContact O-CB 3.36Å; R303-Q307 PolarHBondContact O-N 3.03Å; Q307-Q309 VanDerWaalsContact C-N 3.26Å; Q307-Q309 PolarHBondContact O-N 3.43Å; Q307-F310 WeakPolarHBondContact O-CB 3.2Å; Q307-F310 PolarHBondContact O-N 3.36Å; Q307-F310 VanDerWaalsContact O-N 3.14Å; Q307-E311 HydrophobicContact CG-CG 4.43Å; Q307-E311 VanDerWaalsContact CG-OE1 3.29Å; Q307-E311 WeakPolarHBondContact CG-OE1 3.39Å; Q307-E311 PolarHBondContact NE2-OE1 3.06Å; Q307-E311 WeakPolarHBondContact O-CG 3.36Å; Q307-E311 PolarHBondContact O-N 3.09Å; Q307-L368 HydrophobicContact CB-CD2 4.38Å
308	K	86.6	Confident	80.6	Confident	151 Å²	151	86 Å²	86	66%	0.657	41%	0.409	S	S	*	.	H	α-helix	trans	-59.5	-35.6	175.2	-78.4	-170.2	172.1	-165.7	0	113.1	K304 R305 S312	K304-K308 WeakPolarHBondContact O-CG 3.46Å; K304-K308 PolarHBondContact O-N 3.02Å; K304-K308 VanDerWaalsContact O-N 3.08Å; R305-K308 PolarHBondContact O-N 2.58Å; K308-S312 WeakPolarHBondContact O-CB 3.22Å; K308-S312 PolarHBondContact O-N 2.84Å
309	Q	82.8	Confident	81.4	Confident	101 Å²	101	84.5 Å²	84.5	47%	0.472	40%	0.402	S	S	.	.	H	α-helix	trans	-68.1	-41.1	176.1	-170.9	176.2	-3.3	0	0	111.7	R305 Q306 Q307 S312 T313 L364	R305-Q309 PolarHBondContact O-N 3.45Å; Q306-Q309 PolarHBondContact O-N 3.5Å; Q307-Q309 VanDerWaalsContact C-N 3.26Å; Q307-Q309 PolarHBondContact O-N 3.43Å; Q309-S312 PolarHBondContact O-N 2.99Å; Q309-T313 WeakPolarHBondContact O-CB 3.42Å; Q309-T313 PolarHBondContact O-N 2.8Å; Q309-T313 PolarHBondContact O-OG1 3.03Å; Q309-L364 HydrophobicContact CB-CD1 4.28Å; Q309-L364 HydrophobicContact CG-CD1 3.94Å
310	F	85.8	Confident	82	Confident	32 Å²	32	80.2 Å²	80.2	14%	0.14	38%	0.38	C	S	.	.	H	α-helix	trans	-61.8	-49.6	174.2	-179.1	-88.5	0	0	0	111.3	Q306 Q307 S312 T313 Q314 M361 L364 Q365 L368	Q306-F310 PolarHBondContact O-N 3.06Å; Q307-F310 WeakPolarHBondContact O-CB 3.2Å; Q307-F310 PolarHBondContact O-N 3.36Å; Q307-F310 VanDerWaalsContact O-N 3.14Å; F310-S312 VanDerWaalsContact C-N 3.31Å; F310-S312 PolarHBondContact O-N 3.03Å; F310-T313 PolarHBondContact O-N 2.97Å; F310-Q314 WeakPolarHBondContact O-CB 3.22Å; F310-Q314 PolarHBondContact O-N 3.25Å; F310-M361 HydrophobicContact CD2-CB 4.33Å; F310-M361 HydrophobicContact CD2-CG 4.33Å; F310-M361 HydrophobicContact CE1-CE 4.16Å; F310-M361 HydrophobicContact CE2-CB 3.91Å; F310-M361 HydrophobicContact CE2-CE 3.81Å; F310-M361 HydrophobicContact CE2-CG 4.15Å; F310-M361 HydrophobicContact CZ-CE 3.56Å; F310-L364 HydrophobicContact CB-CB 4.42Å; F310-L364 HydrophobicContact CB-CD1 4.25Å; F310-L364 HydrophobicContact CD2-CB 3.99Å; F310-Q365 HydrophobicContact CE2-CB 3.96Å; F310-L368 HydrophobicContact CB-CD1 4.11Å; F310-L368 HydrophobicContact CG-CD1 4.33Å
311	E	87.5	Confident	82.5	Confident	78 Å²	78	80.3 Å²	80.3	36%	0.364	38%	0.379	S	S	.	.	H	α-helix	trans	-56.9	-42.2	176.2	-71	164.6	179.9	0	0	111.9	Q307 Q314 Q315	Q307-E311 HydrophobicContact CG-CG 4.43Å; Q307-E311 VanDerWaalsContact CG-OE1 3.29Å; Q307-E311 WeakPolarHBondContact CG-OE1 3.39Å; Q307-E311 PolarHBondContact NE2-OE1 3.06Å; Q307-E311 WeakPolarHBondContact O-CG 3.36Å; Q307-E311 PolarHBondContact O-N 3.09Å; E311-Q314 PolarHBondContact O-N 3.32Å; E311-Q315 WeakPolarHBondContact O-CG 3.35Å; E311-Q315 PolarHBondContact O-N 3.28Å
312	S	85.9	Confident	82.8	Confident	74 Å²	74	81.5 Å²	81.5	52%	0.517	38%	0.377	S	S	.	.	H	α-helix	trans	-69.4	-38.3	177.3	179	0	0	0	0	113	K308 Q309 F310 Q315 R316	K308-S312 WeakPolarHBondContact O-CB 3.22Å; K308-S312 PolarHBondContact O-N 2.84Å; Q309-S312 PolarHBondContact O-N 2.99Å; F310-S312 VanDerWaalsContact C-N 3.31Å; F310-S312 PolarHBondContact O-N 3.03Å; S312-Q315 PolarHBondContact O-N 3.35Å; S312-R316 PolarHBondContact O-N 3.28Å
313	T	85.8	Confident	83.1	Confident	19 Å²	19	77.2 Å²	77.2	12%	0.117	36%	0.357	C	S	.	.	H	α-helix	trans	-70.9	-34.7	176	-53.3	0	0	0	0	111	Q309 F310 R316 L317 C357 I360 M361	Q309-T313 WeakPolarHBondContact O-CB 3.42Å; Q309-T313 PolarHBondContact O-N 2.8Å; Q309-T313 PolarHBondContact O-OG1 3.03Å; F310-T313 PolarHBondContact O-N 2.97Å; T313-R316 WeakPolarHBondContact O-CB 3.36Å; T313-R316 PolarHBondContact O-N 3.29Å; T313-L317 WeakPolarHBondContact O-CB 3.48Å; T313-L317 PolarHBondContact O-N 3.16Å; T313-C357 HydrophobicContact CG2-CB 4.08Å; T313-I360 HydrophobicContact CG2-CB 4.27Å; T313-I360 HydrophobicContact CG2-CG2 3.98Å; T313-M361 HydrophobicContact CG2-CG 3.71Å; T313-M361 HydrophobicContact CG2-SD 4.38Å
314	Q	87.9	Confident	83.3	Confident	80 Å²	80	75.8 Å²	75.8	37%	0.374	36%	0.355	S	S	.	.	H	α-helix	trans	-63.4	-46.5	172.3	-174.1	174.1	-8.4	0	0	111.5	F310 E311 R316 L317 D318 M361	F310-Q314 WeakPolarHBondContact O-CB 3.22Å; F310-Q314 PolarHBondContact O-N 3.25Å; E311-Q314 PolarHBondContact O-N 3.32Å; Q314-R316 VanDerWaalsContact C-N 3.31Å; Q314-R316 PolarHBondContact O-N 2.9Å; Q314-L317 WeakPolarHBondContact O-CB 3.43Å; Q314-L317 PolarHBondContact O-N 2.96Å; Q314-D318 PolarHBondContact O-N 3.5Å; Q314-M361 HydrophobicContact CB-CE 3.72Å; Q314-M361 HydrophobicContact CB-SD 4.12Å; Q314-M361 HydrophobicContact CG-CE 3.88Å
315	Q	87.2	Confident	83.1	Confident	126 Å²	126	72.6 Å²	72.6	59%	0.589	34%	0.344	S	S	*	.	H	α-helix	trans	-63	-35.4	175.2	-71.6	175.8	6.4	0	0	112.9	E311 S312 N319	E311-Q315 WeakPolarHBondContact O-CG 3.35Å; E311-Q315 PolarHBondContact O-N 3.28Å; S312-Q315 PolarHBondContact O-N 3.35Å; Q315-N319 WeakPolarHBondContact O-CB 3.43Å; Q315-N319 VanDerWaalsContact O-CG 3.26Å; Q315-N319 PolarHBondContact O-N 3.29Å; Q315-N319 PolarHBondContact O-ND2 3.12Å; Q315-N319 VanDerWaalsContact O-ND2 3.1Å
316	R	84.3	Confident	82.8	Confident	89 Å²	89	67.9 Å²	67.9	34%	0.336	33%	0.332	S	S	.	.	H	α-helix	trans	-62.4	-49.3	171.7	178.3	68.1	170.9	176.8	1.5	110.3	S312 T313 Q314 N319 L320 E353	S312-R316 PolarHBondContact O-N 3.28Å; T313-R316 WeakPolarHBondContact O-CB 3.36Å; T313-R316 PolarHBondContact O-N 3.29Å; Q314-R316 VanDerWaalsContact C-N 3.31Å; Q314-R316 PolarHBondContact O-N 2.9Å; R316-N319 PolarHBondContact O-N 2.84Å; R316-L320 HydrophobicContact CG-CD1 4.04Å; R316-L320 VanDerWaalsContact O-CG 3.3Å; R316-L320 WeakPolarHBondContact O-CG 3.31Å; R316-L320 PolarHBondContact O-N 3.44Å; R316-E353 IonicContact CZ-OE1 3.94Å; R316-E353 IonicContact NE-OE1 3.49Å; R316-E353 PolarHBondContact NE-OE1 3.36Å; R316-E353 IonicContact NH2-OE1 2.65Å; R316-E353 PolarHBondContact NH2-OE1 2.85Å
317	L	85.5	Confident	82.4	Confident	15 Å²	15	69.5 Å²	69.5	8%	0.079	34%	0.34	C	S	.	.	H	α-helix	trans	-58.7	-52.2	177.3	-179.6	67.1	0	0	0	112.1	T313 Q314 N319 L320 T321 I354 C357 M361	T313-L317 WeakPolarHBondContact O-CB 3.48Å; T313-L317 PolarHBondContact O-N 3.16Å; Q314-L317 WeakPolarHBondContact O-CB 3.43Å; Q314-L317 PolarHBondContact O-N 2.96Å; L317-N319 PolarHBondContact O-N 3.26Å; L317-N319 VanDerWaalsContact O-N 3.13Å; L317-L320 PolarHBondContact O-N 3.31Å; L317-T321 PolarHBondContact O-N 2.89Å; L317-T321 PolarHBondContact O-OG1 2.56Å; L317-I354 HydrophobicContact CD1-CB 4.49Å; L317-I354 HydrophobicContact CD1-CG2 3.97Å; L317-C357 HydrophobicContact CB-CB 4.26Å; L317-C357 HydrophobicContact CD1-CB 4.08Å; L317-M361 HydrophobicContact CB-SD 4.33Å; L317-M361 HydrophobicContact CD2-SD 3.63Å
318	D	85.9	Confident	81.8	Confident	74 Å²	74	71.6 Å²	71.6	40%	0.396	35%	0.348	S	S	.	.	H	α-helix	trans	-53.8	-36.9	178.8	-72.9	-23.9	0	0	0	112.1	Q314 K322	Q314-D318 PolarHBondContact O-N 3.5Å; D318-K322 WeakPolarHBondContact O-CD 3.42Å; D318-K322 VanDerWaalsContact O-CE 3.29Å; D318-K322 WeakPolarHBondContact O-CE 3.35Å; D318-K322 WeakPolarHBondContact O-CG 3.49Å; D318-K322 PolarHBondContact O-N 2.83Å; D318-K322 VanDerWaalsContact O-N 3.14Å
319	N	82.3	Confident	80.9	Confident	82 Å²	82	72 Å²	72	44%	0.439	35%	0.352	S	S	.	.	H	α-helix	trans	-76.7	-36.9	178.1	-69.7	-25.1	0	0	0	112.5	Q315 R316 L317 K322 V323	Q315-N319 WeakPolarHBondContact O-CB 3.43Å; Q315-N319 VanDerWaalsContact O-CG 3.26Å; Q315-N319 PolarHBondContact O-N 3.29Å; Q315-N319 PolarHBondContact O-ND2 3.12Å; Q315-N319 VanDerWaalsContact O-ND2 3.1Å; R316-N319 PolarHBondContact O-N 2.84Å; L317-N319 PolarHBondContact O-N 3.26Å; L317-N319 VanDerWaalsContact O-N 3.13Å; N319-K322 PolarHBondContact O-N 3.08Å; N319-K322 PolarHBondContact OD1-NZ 2.76Å; N319-V323 WeakPolarHBondContact O-CG2 3.31Å; N319-V323 PolarHBondContact O-N 3.09Å
320	L	81.8	Confident	79.7	Confident	1 Å²	1	69.1 Å²	69.1	1%	0.005	35%	0.349	C	S	.	.	H	α-helix	trans	-66.1	-41.3	173.2	-64.5	165.9	0	0	0	111.5	R316 L317 K322 V323 E324 L342 L344 L350 E353 I354	R316-L320 HydrophobicContact CG-CD1 4.04Å; R316-L320 VanDerWaalsContact O-CG 3.3Å; R316-L320 WeakPolarHBondContact O-CG 3.31Å; R316-L320 PolarHBondContact O-N 3.44Å; L317-L320 PolarHBondContact O-N 3.31Å; L320-K322 PolarHBondContact O-N 3.23Å; L320-V323 WeakPolarHBondContact O-CB 3.48Å; L320-V323 PolarHBondContact O-N 3Å; L320-V323 VanDerWaalsContact O-N 3.13Å; L320-E324 PolarHBondContact O-N 3.23Å; L320-L342 HydrophobicContact CD2-CD1 4.33Å; L320-L344 HydrophobicContact CD2-CD1 4.05Å; L320-L350 HydrophobicContact CB-CD1 4Å; L320-L350 HydrophobicContact CD2-CD1 3.62Å; L320-L350 HydrophobicContact CG-CD1 4.37Å; L320-E353 HydrophobicContact CD1-CB 4.43Å; L320-E353 HydrophobicContact CD1-CG 3.53Å; L320-E353 HydrophobicContact CD2-CG 4.28Å; L320-I354 HydrophobicContact CB-CD1 4.14Å; L320-I354 HydrophobicContact CB-CG1 3.69Å; L320-I354 HydrophobicContact CD1-CG1 4.29Å
321	T	81.6	Confident	78.3	Confident	44 Å²	44	73.3 Å²	73.3	27%	0.27	37%	0.374	S	S	.	.	H	α-helix	trans	-67.4	-31.6	176	-56.6	0	0	0	0	112.6	L317 E324 N325	L317-T321 PolarHBondContact O-N 2.89Å; L317-T321 PolarHBondContact O-OG1 2.56Å; T321-E324 PolarHBondContact O-N 3.11Å; T321-N325 WeakPolarHBondContact O-CB 3.21Å; T321-N325 VanDerWaalsContact O-CG 3.3Å; T321-N325 PolarHBondContact O-N 3.07Å; T321-N325 PolarHBondContact O-ND2 2.85Å
322	K	81.2	Confident	77.1	Confident	113 Å²	113	71.7 Å²	71.7	49%	0.491	37%	0.371	S	S	.	.	H	α-helix	trans	-61.7	-43.4	168.4	-72.8	162.1	-152.9	161.8	0	111.4	D318 N319 L320 N325 L326	D318-K322 WeakPolarHBondContact O-CD 3.42Å; D318-K322 VanDerWaalsContact O-CE 3.29Å; D318-K322 WeakPolarHBondContact O-CE 3.35Å; D318-K322 WeakPolarHBondContact O-CG 3.49Å; D318-K322 PolarHBondContact O-N 2.83Å; D318-K322 VanDerWaalsContact O-N 3.14Å; N319-K322 PolarHBondContact O-N 3.08Å; N319-K322 PolarHBondContact OD1-NZ 2.76Å; L320-K322 PolarHBondContact O-N 3.23Å; K322-N325 PolarHBondContact O-N 2.75Å; K322-L326 WeakPolarHBondContact O-CG 3.37Å; K322-L326 PolarHBondContact O-N 3.23Å
323	V	75.8	Confident	76.2	Confident	10 Å²	10	73.2 Å²	73.2	6%	0.061	38%	0.379	C	S	.	.	H	α-helix	trans	-65.5	-42.1	176	176.4	0	0	0	0	111.4	N319 L320 N325 L326 M327 I338 L339 L342 L350	N319-V323 WeakPolarHBondContact O-CG2 3.31Å; N319-V323 PolarHBondContact O-N 3.09Å; L320-V323 WeakPolarHBondContact O-CB 3.48Å; L320-V323 PolarHBondContact O-N 3Å; L320-V323 VanDerWaalsContact O-N 3.13Å; V323-N325 VanDerWaalsContact C-N 3.32Å; V323-N325 PolarHBondContact O-N 2.61Å; V323-L326 PolarHBondContact O-N 3.09Å; V323-M327 WeakPolarHBondContact O-CG 3.27Å; V323-M327 PolarHBondContact O-N 3.31Å; V323-I338 HydrophobicContact CG2-CG2 3.56Å; V323-L339 HydrophobicContact CG1-CD2 4.16Å; V323-L339 HydrophobicContact CG1-CG 4.41Å; V323-L342 HydrophobicContact CG2-CD1 3.96Å; V323-L350 HydrophobicContact CG1-CD2 4.14Å
324	E	78.4	Confident	75.3	Confident	63 Å²	63	77.2 Å²	77.2	29%	0.294	40%	0.398	S	S	.	.	H	α-helix	trans	-60	-40.6	175.5	-160.7	-152.8	161.2	0	0	112.1	L320 T321 M327 K328 L350 I354	L320-E324 PolarHBondContact O-N 3.23Å; T321-E324 PolarHBondContact O-N 3.11Å; E324-M327 WeakPolarHBondContact O-CB 3.35Å; E324-M327 PolarHBondContact O-N 2.94Å; E324-K328 WeakPolarHBondContact O-CG 3.41Å; E324-K328 PolarHBondContact O-N 2.94Å; E324-K328 VanDerWaalsContact O-N 3.1Å; E324-K328 WeakPolarHBondContact OE1-CE 3.25Å; E324-K328 IonicContact OE1-NZ 3.31Å; E324-K328 PolarHBondContact OE1-NZ 3.45Å; E324-K328 IonicContact OE2-NZ 2.74Å; E324-L350 HydrophobicContact CB-CD2 4.21Å; E324-I354 HydrophobicContact CB-CD1 4.21Å; E324-I354 HydrophobicContact CG-CD1 4.34Å
325	N	77.4	Confident	74.2	Confident	75 Å²	75	73.7 Å²	73.7	40%	0.401	38%	0.382	S	S	.	.	H	α-helix	trans	-71.3	-33.4	176.4	-72.8	-27.8	0	0	0	112.8	T321 K322 V323 K328 Q329	T321-N325 WeakPolarHBondContact O-CB 3.21Å; T321-N325 VanDerWaalsContact O-CG 3.3Å; T321-N325 PolarHBondContact O-N 3.07Å; T321-N325 PolarHBondContact O-ND2 2.85Å; K322-N325 PolarHBondContact O-N 2.75Å; V323-N325 VanDerWaalsContact C-N 3.32Å; V323-N325 PolarHBondContact O-N 2.61Å; N325-K328 PolarHBondContact O-N 2.84Å; N325-Q329 WeakPolarHBondContact O-CG 3.43Å; N325-Q329 PolarHBondContact O-N 2.83Å
326	L	72.5	Confident	73.2	Confident	80 Å²	80	73.5 Å²	73.5	42%	0.419	38%	0.38	S	S	.	.	H	α-helix	trans	-67	-39.5	170.8	-71.2	167.7	0	0	0	111.5	K322 V323 K328 Q329 V335	K322-L326 WeakPolarHBondContact O-CG 3.37Å; K322-L326 PolarHBondContact O-N 3.23Å; V323-L326 PolarHBondContact O-N 3.09Å; L326-K328 VanDerWaalsContact C-N 3.31Å; L326-K328 PolarHBondContact O-N 2.63Å; L326-Q329 PolarHBondContact O-N 3.32Å; L326-Q329 VanDerWaalsContact O-N 3.1Å; L326-V335 HydrophobicContact CB-CG2 4.35Å
327	M	69.6	Low	72.4	Confident	58 Å²	58	75.3 Å²	75.3	29%	0.286	39%	0.392	S	S	.	.	H	α-helix	trans	-59	-40.9	172.8	-74.6	178.7	80.9	0	0	112.2	V323 E324 Q329 G330 V335 L339 A347 L350	V323-M327 WeakPolarHBondContact O-CG 3.27Å; V323-M327 PolarHBondContact O-N 3.31Å; E324-M327 WeakPolarHBondContact O-CB 3.35Å; E324-M327 PolarHBondContact O-N 2.94Å; M327-Q329 PolarHBondContact O-N 3.43Å; M327-G330 PolarHBondContact O-N 2.95Å; M327-V335 HydrophobicContact CG-CG1 3.43Å; M327-V335 VanDerWaalsContact CG-CG1 3.43Å; M327-V335 HydrophobicContact SD-CG1 4.38Å; M327-L339 HydrophobicContact CE-CD1 4.38Å; M327-L339 HydrophobicContact SD-CD1 4.28Å; M327-A347 HydrophobicContact CE-CB 3.7Å; M327-L350 HydrophobicContact SD-CD2 3.47Å; M327-L350 WeakPolarHBondContact SD-CD2 3.36Å
328	K	71.7	Confident	71.4	Confident	138 Å²	138	77.3 Å²	77.3	60%	0.6	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-14.5	176.9	-69.5	166.3	-170.4	166.1	0	114	E324 N325 L326	E324-K328 WeakPolarHBondContact O-CG 3.41Å; E324-K328 PolarHBondContact O-N 2.94Å; E324-K328 VanDerWaalsContact O-N 3.1Å; E324-K328 WeakPolarHBondContact OE1-CE 3.25Å; E324-K328 IonicContact OE1-NZ 3.31Å; E324-K328 PolarHBondContact OE1-NZ 3.45Å; E324-K328 IonicContact OE2-NZ 2.74Å; N325-K328 PolarHBondContact O-N 2.84Å; L326-K328 VanDerWaalsContact C-N 3.31Å; L326-K328 PolarHBondContact O-N 2.63Å
329	Q	67.6	Low	70.5	Confident	160 Å²	160	74.4 Å²	74.4	75%	0.748	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-7.6	179.7	-71.2	176	2.1	0	0	113.9	N325 L326 M327	N325-Q329 WeakPolarHBondContact O-CG 3.43Å; N325-Q329 PolarHBondContact O-N 2.83Å; L326-Q329 PolarHBondContact O-N 3.32Å; L326-Q329 VanDerWaalsContact O-N 3.1Å; M327-Q329 PolarHBondContact O-N 3.43Å
330	G	58.4	Low	69.8	Low	40 Å²	40	74.2 Å²	74.2	41%	0.412	39%	0.391	S	S	.	.			trans	131.8	151.7	172.9	0	0	0	0	0	113.9	M327 S332	M327-G330 PolarHBondContact O-N 2.95Å; G330-S332 VanDerWaalsContact C-N 3.34Å; G330-S332 PolarHBondContact O-N 3.34Å
331	D	55.6	Low	69.2	Low	121 Å²	121	80.4 Å²	80.4	65%	0.647	42%	0.424	S	S	*	.			trans	-75.9	78.8	-170.9	-149.5	21.1	0	0	0	111.9	K336	D331-K336 WeakPolarHBondContact OD1-CE 3.47Å; D331-K336 IonicContact OD1-NZ 3.7Å; D331-K336 IonicContact OD2-NZ 2.91Å; D331-K336 PolarHBondContact OD2-NZ 3.16Å
332	S	63.2	Low	68.5	Low	44 Å²	44	80.6 Å²	80.6	31%	0.308	42%	0.424	S	S	.	.			trans	-83.4	140.4	173.7	174.2	0	0	0	0	111.2	G330 I334 V335	G330-S332 VanDerWaalsContact C-N 3.34Å; G330-S332 PolarHBondContact O-N 3.34Å; S332-I334 PolarHBondContact O-N 3.32Å; S332-I334 VanDerWaalsContact O-N 3.08Å; S332-I334 PolarHBondContact OG-N 3.45Å; S332-V335 WeakPolarHBondContact O-CB 3.28Å; S332-V335 PolarHBondContact O-N 2.88Å
333	P	66.3	Low	67.8	Low	105 Å²	105	78.5 Å²	78.5	68%	0.682	43%	0.434	S	S	*	.	H	α-helix	trans	-58.4	-25.4	176.6	24.1	-34.4	0	0	0	113.2	V335 K336 Q337	P333-V335 PolarHBondContact O-N 3.47Å; P333-K336 PolarHBondContact O-N 2.99Å; P333-Q337 PolarHBondContact O-N 3.06Å
334	I	66.8	Low	67.4	Low	103 Å²	103	79.2 Å²	79.2	53%	0.528	44%	0.437	S	S	.	.	H	α-helix	trans	-56.9	-38.1	173.3	-62	170.9	0	0	0	111	S332 Q337 I338	S332-I334 PolarHBondContact O-N 3.32Å; S332-I334 VanDerWaalsContact O-N 3.08Å; S332-I334 PolarHBondContact OG-N 3.45Å; I334-Q337 PolarHBondContact O-N 3.24Å; I334-I338 HydrophobicContact CG2-CD1 3.76Å; I334-I338 HydrophobicContact CG2-CG1 4.38Å; I334-I338 WeakPolarHBondContact O-CG1 3.42Å; I334-I338 PolarHBondContact O-N 3.17Å
335	V	64.8	Low	66.6	Low	7 Å²	7	80.6 Å²	80.6	4%	0.042	45%	0.454	C	S	.	.	H	α-helix	trans	-66.4	-42.2	-178.6	177.8	0	0	0	0	111	L326 M327 S332 P333 Q337 I338 L339	L326-V335 HydrophobicContact CB-CG2 4.35Å; M327-V335 HydrophobicContact CG-CG1 3.43Å; M327-V335 VanDerWaalsContact CG-CG1 3.43Å; M327-V335 HydrophobicContact SD-CG1 4.38Å; S332-V335 WeakPolarHBondContact O-CB 3.28Å; S332-V335 PolarHBondContact O-N 2.88Å; P333-V335 PolarHBondContact O-N 3.47Å; V335-Q337 VanDerWaalsContact C-N 3.31Å; V335-Q337 PolarHBondContact O-N 3.23Å; V335-I338 PolarHBondContact O-N 3.3Å; V335-L339 HydrophobicContact CG1-CD1 4.12Å; V335-L339 WeakPolarHBondContact O-CB 3.5Å; V335-L339 WeakPolarHBondContact O-CG 3.4Å; V335-L339 PolarHBondContact O-N 3.27Å
336	K	65.3	Low	66.1	Low	122 Å²	122	81.2 Å²	81.2	53%	0.53	46%	0.457	S	S	.	.	H	α-helix	trans	-65.1	-36.1	176.6	-67.9	177.5	-176.3	164	0	111.6	D331 P333 L339 S340	D331-K336 WeakPolarHBondContact OD1-CE 3.47Å; D331-K336 IonicContact OD1-NZ 3.7Å; D331-K336 IonicContact OD2-NZ 2.91Å; D331-K336 PolarHBondContact OD2-NZ 3.16Å; P333-K336 PolarHBondContact O-N 2.99Å; K336-L339 PolarHBondContact O-N 3.05Å; K336-S340 PolarHBondContact O-N 2.94Å; K336-S340 PolarHBondContact O-OG 3.08Å
337	Q	67.6	Low	65.8	Low	127 Å²	127	80.3 Å²	80.3	59%	0.593	46%	0.461	S	S	*	.	H	α-helix	trans	-71.8	-32.8	175.1	-164.5	171.9	10.3	0	0	113.2	P333 I334 V335 S340 N341	P333-Q337 PolarHBondContact O-N 3.06Å; I334-Q337 PolarHBondContact O-N 3.24Å; V335-Q337 VanDerWaalsContact C-N 3.31Å; V335-Q337 PolarHBondContact O-N 3.23Å; Q337-S340 WeakPolarHBondContact CA-OG 3.45Å; Q337-S340 PolarHBondContact O-OG 2.96Å; Q337-N341 WeakPolarHBondContact O-CB 3.34Å; Q337-N341 PolarHBondContact O-N 2.88Å; Q337-N341 VanDerWaalsContact O-N 3.14Å; Q337-N341 PolarHBondContact O-ND2 2.91Å; Q337-N341 PolarHBondContact O-OD1 3.15Å
338	I	65.4	Low	65.9	Low	56 Å²	56	81.4 Å²	81.4	29%	0.287	47%	0.471	S	S	.	.	H	α-helix	trans	-71.8	-39.9	172.7	-67.4	167.5	0	0	0	110.9	V323 I334 V335 N341 L342	V323-I338 HydrophobicContact CG2-CG2 3.56Å; I334-I338 HydrophobicContact CG2-CD1 3.76Å; I334-I338 HydrophobicContact CG2-CG1 4.38Å; I334-I338 WeakPolarHBondContact O-CG1 3.42Å; I334-I338 PolarHBondContact O-N 3.17Å; V335-I338 PolarHBondContact O-N 3.3Å; I338-N341 PolarHBondContact O-N 3.38Å; I338-L342 HydrophobicContact CG2-CD1 3.91Å; I338-L342 WeakPolarHBondContact O-CG 3.43Å; I338-L342 PolarHBondContact O-N 3.06Å
339	L	66.9	Low	65.9	Low	14 Å²	14	76.7 Å²	76.7	7%	0.073	45%	0.452	C	S	.	.	H	α-helix	trans	-61	-45.2	174.6	-76.2	167.4	0	0	0	111.9	V323 M327 V335 K336 N341 L342 G343 L344 L350	V323-L339 HydrophobicContact CG1-CD2 4.16Å; V323-L339 HydrophobicContact CG1-CG 4.41Å; M327-L339 HydrophobicContact CE-CD1 4.38Å; M327-L339 HydrophobicContact SD-CD1 4.28Å; V335-L339 HydrophobicContact CG1-CD1 4.12Å; V335-L339 WeakPolarHBondContact O-CB 3.5Å; V335-L339 WeakPolarHBondContact O-CG 3.4Å; V335-L339 PolarHBondContact O-N 3.27Å; K336-L339 PolarHBondContact O-N 3.05Å; L339-N341 VanDerWaalsContact C-N 3.33Å; L339-N341 PolarHBondContact O-N 3.43Å; L339-L342 CarbonylContact O-C 3.47Å; L339-L342 PolarHBondContact O-N 3.05Å; L339-L342 VanDerWaalsContact O-N 3.08Å; L339-G343 PolarHBondContact O-N 2.96Å; L339-G343 VanDerWaalsContact O-N 3.14Å; L339-L344 CarbonylContact C-O 3.56Å; L339-L344 HydrophobicContact CD2-CB 4.16Å; L339-L344 PolarHBondContact O-N 2.74Å; L339-L350 HydrophobicContact CD2-CD2 4.47Å
340	S	67.5	Low	66.3	Low	77 Å²	77	69.2 Å²	69.2	54%	0.538	42%	0.418	S	S	.	.	H	α-helix	trans	-61.9	-39	174.2	60.5	0	0	0	0	112.6	K336 Q337 L342 G343	K336-S340 PolarHBondContact O-N 2.94Å; K336-S340 PolarHBondContact O-OG 3.08Å; Q337-S340 WeakPolarHBondContact CA-OG 3.45Å; Q337-S340 PolarHBondContact O-OG 2.96Å; S340-L342 PolarHBondContact O-N 3.45Å; S340-G343 PolarHBondContact O-N 2.69Å
341	N	69.8	Low	67.1	Low	131 Å²	131	70.2 Å²	70.2	70%	0.701	42%	0.418	S	S	*	.	H	α-helix	trans	-69.2	-18.3	176.3	-69	-5.9	0	0	0	113.4	Q337 I338 L339	Q337-N341 WeakPolarHBondContact O-CB 3.34Å; Q337-N341 PolarHBondContact O-N 2.88Å; Q337-N341 VanDerWaalsContact O-N 3.14Å; Q337-N341 PolarHBondContact O-ND2 2.91Å; Q337-N341 PolarHBondContact O-OD1 3.15Å; I338-N341 PolarHBondContact O-N 3.38Å; L339-N341 VanDerWaalsContact C-N 3.33Å; L339-N341 PolarHBondContact O-N 3.43Å
342	L	65.6	Low	68.3	Low	49 Å²	49	71 Å²	71	26%	0.257	42%	0.418	S	S	.	.	H	α-helix	trans	-95.5	-4.7	174.7	-71	169.2	0	0	0	113.4	L320 V323 I338 L339 S340 L344	L320-L342 HydrophobicContact CD2-CD1 4.33Å; V323-L342 HydrophobicContact CG2-CD1 3.96Å; I338-L342 HydrophobicContact CG2-CD1 3.91Å; I338-L342 WeakPolarHBondContact O-CG 3.43Å; I338-L342 PolarHBondContact O-N 3.06Å; L339-L342 CarbonylContact O-C 3.47Å; L339-L342 PolarHBondContact O-N 3.05Å; L339-L342 VanDerWaalsContact O-N 3.08Å; S340-L342 PolarHBondContact O-N 3.45Å; L342-L344 HydrophobicContact CB-CD1 4.38Å
343	G	67.9	Low	69.1	Low	68 Å²	68	71.7 Å²	71.7	70%	0.701	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.7	20.9	-178.7	0	0	0	0	0	114.7	L339 S340	L339-G343 PolarHBondContact O-N 2.96Å; L339-G343 VanDerWaalsContact O-N 3.14Å; S340-G343 PolarHBondContact O-N 2.69Å
344	L	66.4	Low	69.9	Low	26 Å²	26	67.2 Å²	67.2	14%	0.136	39%	0.387	C	S	.	.			trans	-113.7	131.1	-174.3	-63.9	171.1	0	0	0	111.1	L320 L339 L342 D349 L350 E353	L320-L344 HydrophobicContact CD2-CD1 4.05Å; L339-L344 CarbonylContact C-O 3.56Å; L339-L344 HydrophobicContact CD2-CB 4.16Å; L339-L344 PolarHBondContact O-N 2.74Å; L342-L344 HydrophobicContact CB-CD1 4.38Å; L344-D349 HydrophobicContact CD2-CB 4.04Å; L344-L350 HydrophobicContact CD1-CB 4.4Å; L344-L350 HydrophobicContact CD1-CD1 4Å; L344-E353 HydrophobicContact CD2-CB 4.45Å
345	S	62.5	Low	70.8	Confident	91 Å²	91	66.1 Å²	66.1	64%	0.636	38%	0.382	S	S	*	.			trans	-88.3	-45.7	-176.6	25.5	0	0	0	0	114	D349	S345-D349 WeakPolarHBondContact CB-OD2 3.38Å; S345-D349 PolarHBondContact N-OD2 2.95Å; S345-D349 PolarHBondContact OG-OD2 3.19Å
346	N	66.6	Low	71.7	Confident	89 Å²	89	67.6 Å²	67.6	48%	0.476	40%	0.395	S	S	.	.	S	Bend	trans	-126.8	161.8	-168.2	-48.7	-69.5	0	0	0	112.5	T348 D349 L350	N346-T348 WeakPolarHBondContact CB-OG1 3.34Å; N346-T348 PolarHBondContact O-N 3.03Å; N346-D349 WeakPolarHBondContact CB-OD2 3.12Å; N346-D349 PolarHBondContact N-OD2 3.1Å; N346-D349 PolarHBondContact ND2-OD1 3.45Å; N346-D349 PolarHBondContact ND2-OD2 3.33Å; N346-D349 WeakPolarHBondContact O-CB 3.38Å; N346-D349 PolarHBondContact O-N 3.48Å; N346-L350 PolarHBondContact O-N 3.03Å
347	A	67	Low	72.6	Confident	61 Å²	61	62 Å²	62	50%	0.504	37%	0.371	S	S	.	.	H	α-helix	trans	-60.8	-30.4	174.2	0	0	0	0	0	113.2	M327 D349 S351	M327-A347 HydrophobicContact CE-CB 3.7Å; A347-D349 VanDerWaalsContact C-N 3.32Å; A347-S351 PolarHBondContact O-N 3.44Å
348	T	71.5	Confident	73.5	Confident	81 Å²	81	60.3 Å²	60.3	50%	0.497	36%	0.363	S	S	.	.	H	α-helix	trans	-60.5	-42.1	171.4	43.3	0	0	0	0	111.8	N346 S351 H352	N346-T348 WeakPolarHBondContact CB-OG1 3.34Å; N346-T348 PolarHBondContact O-N 3.03Å; T348-S351 WeakPolarHBondContact O-CB 3.28Å; T348-S351 PolarHBondContact O-N 3.43Å; T348-H352 PolarHBondContact O-CD2 3.02Å; T348-H352 PolarHBondContact O-N 3.17Å
349	D	71.4	Confident	74.5	Confident	38 Å²	38	64.8 Å²	64.8	20%	0.203	38%	0.38	C	S	.	.	H	α-helix	trans	-71.5	-39.2	-171.9	-43.2	-12.8	0	0	0	109.6	L344 S345 N346 A347 H352 E353	L344-D349 HydrophobicContact CD2-CB 4.04Å; S345-D349 WeakPolarHBondContact CB-OD2 3.38Å; S345-D349 PolarHBondContact N-OD2 2.95Å; S345-D349 PolarHBondContact OG-OD2 3.19Å; N346-D349 WeakPolarHBondContact CB-OD2 3.12Å; N346-D349 PolarHBondContact N-OD2 3.1Å; N346-D349 PolarHBondContact ND2-OD1 3.45Å; N346-D349 PolarHBondContact ND2-OD2 3.33Å; N346-D349 WeakPolarHBondContact O-CB 3.38Å; N346-D349 PolarHBondContact O-N 3.48Å; A347-D349 VanDerWaalsContact C-N 3.32Å; D349-H352 PolarHBondContact O-N 3.12Å; D349-E353 WeakPolarHBondContact O-CB 3.5Å; D349-E353 PolarHBondContact O-N 3.18Å
350	L	75	Confident	75.3	Confident	4 Å²	4	67.7 Å²	67.7	2%	0.021	40%	0.395	C	S	.	.	H	α-helix	trans	-58.9	-44.8	169.9	179.8	63.5	0	0	0	111.9	L320 V323 E324 M327 L339 L344 N346 E353 I354	L320-L350 HydrophobicContact CB-CD1 4Å; L320-L350 HydrophobicContact CD2-CD1 3.62Å; L320-L350 HydrophobicContact CG-CD1 4.37Å; V323-L350 HydrophobicContact CG1-CD2 4.14Å; E324-L350 HydrophobicContact CB-CD2 4.21Å; M327-L350 HydrophobicContact SD-CD2 3.47Å; M327-L350 WeakPolarHBondContact SD-CD2 3.36Å; L339-L350 HydrophobicContact CD2-CD2 4.47Å; L344-L350 HydrophobicContact CD1-CB 4.4Å; L344-L350 HydrophobicContact CD1-CD1 4Å; N346-L350 PolarHBondContact O-N 3.03Å; L350-E353 PolarHBondContact O-N 2.85Å; L350-I354 HydrophobicContact CD1-CD1 4.06Å; L350-I354 HydrophobicContact CD1-CG1 4.4Å; L350-I354 HydrophobicContact CG-CD1 3.97Å; L350-I354 WeakPolarHBondContact O-CB 3.31Å; L350-I354 VanDerWaalsContact O-CG1 3.29Å; L350-I354 WeakPolarHBondContact O-CG1 3.44Å; L350-I354 PolarHBondContact O-N 3.48Å
351	S	76.4	Confident	76	Confident	61 Å²	61	65.1 Å²	65.1	43%	0.427	38%	0.375	S	S	.	.	H	α-helix	trans	-64.6	-40.4	176.5	-175.6	0	0	0	0	112	A347 T348 N355	A347-S351 PolarHBondContact O-N 3.44Å; T348-S351 WeakPolarHBondContact O-CB 3.28Å; T348-S351 PolarHBondContact O-N 3.43Å; S351-N355 WeakPolarHBondContact O-CB 3.39Å; S351-N355 PolarHBondContact O-N 3.43Å; S351-N355 PolarHBondContact O-ND2 3.3Å
352	H	80.5	Confident	76.6	Confident	137 Å²	137	64.8 Å²	64.8	63%	0.634	37%	0.369	S	S	*	.	H	α-helix	trans	-64.7	-43.2	175	-76.9	-62.2	0	0	0	112.5	T348 D349 N355 A356	T348-H352 PolarHBondContact O-CD2 3.02Å; T348-H352 PolarHBondContact O-N 3.17Å; D349-H352 PolarHBondContact O-N 3.12Å; H352-N355 PolarHBondContact O-N 3.32Å; H352-A356 WeakPolarHBondContact O-CB 3.25Å; H352-A356 PolarHBondContact O-N 2.96Å
353	E	79.7	Confident	77.4	Confident	58 Å²	58	69.2 Å²	69.2	27%	0.271	39%	0.386	S	S	.	.	H	α-helix	trans	-65.4	-41.1	177.2	-179.3	77.1	159.7	0	0	112	R316 L320 L344 D349 L350 A356 C357	R316-E353 IonicContact CZ-OE1 3.94Å; R316-E353 IonicContact NE-OE1 3.49Å; R316-E353 PolarHBondContact NE-OE1 3.36Å; R316-E353 IonicContact NH2-OE1 2.65Å; R316-E353 PolarHBondContact NH2-OE1 2.85Å; L320-E353 HydrophobicContact CD1-CB 4.43Å; L320-E353 HydrophobicContact CD1-CG 3.53Å; L320-E353 HydrophobicContact CD2-CG 4.28Å; L344-E353 HydrophobicContact CD2-CB 4.45Å; D349-E353 WeakPolarHBondContact O-CB 3.5Å; D349-E353 PolarHBondContact O-N 3.18Å; L350-E353 PolarHBondContact O-N 2.85Å; E353-A356 PolarHBondContact O-N 3.02Å; E353-C357 WeakPolarHBondContact O-CB 3.43Å; E353-C357 PolarHBondContact O-N 2.81Å; E353-C357 PolarHBondContact O-SG 3.4Å
354	I	83.3	Confident	78	Confident	12 Å²	12	66.5 Å²	66.5	6%	0.062	36%	0.356	C	S	.	.	H	α-helix	trans	-60	-47	172.9	-74.2	169.4	0	0	0	110.6	L317 L320 E324 L350 A356 C357 H358	L317-I354 HydrophobicContact CD1-CB 4.49Å; L317-I354 HydrophobicContact CD1-CG2 3.97Å; L320-I354 HydrophobicContact CB-CD1 4.14Å; L320-I354 HydrophobicContact CB-CG1 3.69Å; L320-I354 HydrophobicContact CD1-CG1 4.29Å; E324-I354 HydrophobicContact CB-CD1 4.21Å; E324-I354 HydrophobicContact CG-CD1 4.34Å; L350-I354 HydrophobicContact CD1-CD1 4.06Å; L350-I354 HydrophobicContact CD1-CG1 4.4Å; L350-I354 HydrophobicContact CG-CD1 3.97Å; L350-I354 WeakPolarHBondContact O-CB 3.31Å; L350-I354 VanDerWaalsContact O-CG1 3.29Å; L350-I354 WeakPolarHBondContact O-CG1 3.44Å; L350-I354 PolarHBondContact O-N 3.48Å; I354-A356 VanDerWaalsContact C-N 3.33Å; I354-A356 PolarHBondContact O-N 3.01Å; I354-C357 PolarHBondContact O-N 2.86Å; I354-H358 PolarHBondContact O-N 3.03Å; I354-H358 PolarHBondContact O-ND1 2.8Å
355	N	84.6	Confident	78.6	Confident	79 Å²	79	69.6 Å²	69.6	42%	0.422	37%	0.369	S	S	.	.	H	α-helix	trans	-67.4	-30.6	177.7	-78.5	-64.4	0	0	0	113.1	S351 H352 K359	S351-N355 WeakPolarHBondContact O-CB 3.39Å; S351-N355 PolarHBondContact O-N 3.43Å; S351-N355 PolarHBondContact O-ND2 3.3Å; H352-N355 PolarHBondContact O-N 3.32Å; N355-K359 WeakPolarHBondContact O-CG 3.27Å; N355-K359 PolarHBondContact O-N 3.34Å; N355-K359 VanDerWaalsContact O-N 3.15Å
356	A	84.9	Confident	79.4	Confident	38 Å²	38	70.4 Å²	70.4	31%	0.314	37%	0.365	S	S	.	.	H	α-helix	trans	-68.1	-45.4	171.4	0	0	0	0	0	111.2	H352 E353 I354 H358 K359 I360	H352-A356 WeakPolarHBondContact O-CB 3.25Å; H352-A356 PolarHBondContact O-N 2.96Å; E353-A356 PolarHBondContact O-N 3.02Å; I354-A356 VanDerWaalsContact C-N 3.33Å; I354-A356 PolarHBondContact O-N 3.01Å; A356-H358 PolarHBondContact O-N 2.84Å; A356-K359 PolarHBondContact O-N 2.74Å; A356-I360 VanDerWaalsContact O-CG1 3.29Å; A356-I360 WeakPolarHBondContact O-CG1 3.45Å; A356-I360 PolarHBondContact O-N 2.97Å
357	C	85	Confident	79.7	Confident	6 Å²	6	69.7 Å²	69.7	4%	0.041	36%	0.359	C	S	.	.	H	α-helix	trans	-58.8	-45.3	175	-68.4	0	0	0	0	111.6	T313 L317 E353 I354 K359 I360 M361	T313-C357 HydrophobicContact CG2-CB 4.08Å; L317-C357 HydrophobicContact CB-CB 4.26Å; L317-C357 HydrophobicContact CD1-CB 4.08Å; E353-C357 WeakPolarHBondContact O-CB 3.43Å; E353-C357 PolarHBondContact O-N 2.81Å; E353-C357 PolarHBondContact O-SG 3.4Å; I354-C357 PolarHBondContact O-N 2.86Å; C357-K359 PolarHBondContact O-N 2.87Å; C357-I360 PolarHBondContact O-N 3.47Å; C357-M361 WeakPolarHBondContact O-CG 3.43Å; C357-M361 PolarHBondContact O-N 3.49Å
358	H	86	Confident	80	Confident	91 Å²	91	67.9 Å²	67.9	42%	0.421	34%	0.341	S	S	.	.	H	α-helix	trans	-56.8	-49.7	174	-73.7	146.3	0	0	0	112.5	I354 A356 I360 M361 E362	I354-H358 PolarHBondContact O-N 3.03Å; I354-H358 PolarHBondContact O-ND1 2.8Å; A356-H358 PolarHBondContact O-N 2.84Å; H358-I360 VanDerWaalsContact C-N 3.31Å; H358-I360 PolarHBondContact O-N 3.45Å; H358-M361 PolarHBondContact O-N 3.11Å; H358-E362 WeakPolarHBondContact O-CB 3.41Å; H358-E362 PolarHBondContact O-N 3.09Å
359	K	85	Confident	79.9	Confident	149 Å²	149	67.4 Å²	67.4	65%	0.648	34%	0.336	S	S	*	.	H	α-helix	trans	-62.7	-34.8	178.4	-73.9	176.4	179.2	-179.4	0	113.1	N355 A356 C357 K363	N355-K359 WeakPolarHBondContact O-CG 3.27Å; N355-K359 PolarHBondContact O-N 3.34Å; N355-K359 VanDerWaalsContact O-N 3.15Å; A356-K359 PolarHBondContact O-N 2.74Å; C357-K359 PolarHBondContact O-N 2.87Å; K359-K363 WeakPolarHBondContact O-CB 3.13Å; K359-K363 PolarHBondContact O-N 3.44Å; K359-K363 VanDerWaalsContact O-N 3.15Å
360	I	83.8	Confident	79.4	Confident	76 Å²	76	68.7 Å²	68.7	39%	0.39	35%	0.347	S	S	.	.	H	α-helix	trans	-69.4	-44.8	175.4	-69.2	164.8	0	0	0	110.4	T313 A356 C357 H358 K363 L364	T313-I360 HydrophobicContact CG2-CB 4.27Å; T313-I360 HydrophobicContact CG2-CG2 3.98Å; A356-I360 VanDerWaalsContact O-CG1 3.29Å; A356-I360 WeakPolarHBondContact O-CG1 3.45Å; A356-I360 PolarHBondContact O-N 2.97Å; C357-I360 PolarHBondContact O-N 3.47Å; H358-I360 VanDerWaalsContact C-N 3.31Å; H358-I360 PolarHBondContact O-N 3.45Å; I360-K363 PolarHBondContact O-N 2.89Å; I360-L364 HydrophobicContact CG2-CD1 3.89Å; I360-L364 WeakPolarHBondContact O-CB 3.22Å; I360-L364 WeakPolarHBondContact O-CG 3.13Å; I360-L364 PolarHBondContact O-N 3.14Å
361	M	83.3	Confident	78.4	Confident	23 Å²	23	69.3 Å²	69.3	11%	0.113	35%	0.352	C	S	.	.	H	α-helix	trans	-63	-46.6	176.5	-75.1	-178.9	67.2	0	0	112.1	F310 T313 Q314 L317 C357 H358 K363 L364 Q365	F310-M361 HydrophobicContact CD2-CB 4.33Å; F310-M361 HydrophobicContact CD2-CG 4.33Å; F310-M361 HydrophobicContact CE1-CE 4.16Å; F310-M361 HydrophobicContact CE2-CB 3.91Å; F310-M361 HydrophobicContact CE2-CE 3.81Å; F310-M361 HydrophobicContact CE2-CG 4.15Å; F310-M361 HydrophobicContact CZ-CE 3.56Å; T313-M361 HydrophobicContact CG2-CG 3.71Å; T313-M361 HydrophobicContact CG2-SD 4.38Å; Q314-M361 HydrophobicContact CB-CE 3.72Å; Q314-M361 HydrophobicContact CB-SD 4.12Å; Q314-M361 HydrophobicContact CG-CE 3.88Å; L317-M361 HydrophobicContact CB-SD 4.33Å; L317-M361 HydrophobicContact CD2-SD 3.63Å; C357-M361 WeakPolarHBondContact O-CG 3.43Å; C357-M361 PolarHBondContact O-N 3.49Å; H358-M361 PolarHBondContact O-N 3.11Å; M361-K363 PolarHBondContact O-N 2.9Å; M361-L364 PolarHBondContact O-N 2.68Å; M361-Q365 VanDerWaalsContact O-CB 3.22Å; M361-Q365 WeakPolarHBondContact O-CB 3.32Å; M361-Q365 PolarHBondContact O-N 3.31Å
362	E	82.5	Confident	77.2	Confident	124 Å²	124	72.3 Å²	72.3	58%	0.579	36%	0.357	S	S	*	.	H	α-helix	trans	-55.7	-50	175.9	-178.7	-179.6	-152	0	0	111.2	H358 L364 Q365 I366	H358-E362 WeakPolarHBondContact O-CB 3.41Å; H358-E362 PolarHBondContact O-N 3.09Å; E362-L364 PolarHBondContact O-N 3.31Å; E362-Q365 PolarHBondContact O-N 3.24Å; E362-I366 HydrophobicContact CG-CD1 4.09Å; E362-I366 WeakPolarHBondContact O-CG1 3.17Å; E362-I366 PolarHBondContact O-N 2.76Å
363	K	81.5	Confident	75.7	Confident	141 Å²	141	71.3 Å²	71.3	61%	0.613	36%	0.355	S	S	*	.	H	α-helix	trans	-60.2	-43	177.8	-176.2	176.9	-179.9	178.6	0	112.8	K359 I360 M361 Q367	K359-K363 WeakPolarHBondContact O-CB 3.13Å; K359-K363 PolarHBondContact O-N 3.44Å; K359-K363 VanDerWaalsContact O-N 3.15Å; I360-K363 PolarHBondContact O-N 2.89Å; M361-K363 PolarHBondContact O-N 2.9Å; K363-Q367 WeakPolarHBondContact O-CG 3.46Å; K363-Q367 PolarHBondContact O-N 2.93Å
364	L	80.4	Confident	74	Confident	11 Å²	11	71 Å²	71	6%	0.058	35%	0.354	C	S	.	.	H	α-helix	trans	-68.9	-37	176.5	-74.2	170.7	0	0	0	112	Q309 F310 I360 M361 E362 Q367 L368	Q309-L364 HydrophobicContact CB-CD1 4.28Å; Q309-L364 HydrophobicContact CG-CD1 3.94Å; F310-L364 HydrophobicContact CB-CB 4.42Å; F310-L364 HydrophobicContact CB-CD1 4.25Å; F310-L364 HydrophobicContact CD2-CB 3.99Å; I360-L364 HydrophobicContact CG2-CD1 3.89Å; I360-L364 WeakPolarHBondContact O-CB 3.22Å; I360-L364 WeakPolarHBondContact O-CG 3.13Å; I360-L364 PolarHBondContact O-N 3.14Å; M361-L364 PolarHBondContact O-N 2.68Å; E362-L364 PolarHBondContact O-N 3.31Å; L364-Q367 PolarHBondContact O-N 3.14Å; L364-L368 WeakPolarHBondContact O-CB 3.47Å; L364-L368 WeakPolarHBondContact O-CG 3.49Å; L364-L368 PolarHBondContact O-N 3.46Å
365	Q	80.4	Confident	72	Confident	91 Å²	91	72.6 Å²	72.6	43%	0.425	37%	0.366	S	S	.	.	H	α-helix	trans	-70.9	-35.9	-180	-170.9	158	-23.8	0	0	112	F310 M361 E362 Q367 L368 N369	F310-Q365 HydrophobicContact CE2-CB 3.96Å; M361-Q365 VanDerWaalsContact O-CB 3.22Å; M361-Q365 WeakPolarHBondContact O-CB 3.32Å; M361-Q365 PolarHBondContact O-N 3.31Å; E362-Q365 PolarHBondContact O-N 3.24Å; Q365-Q367 VanDerWaalsContact C-N 3.34Å; Q365-L368 PolarHBondContact O-N 2.97Å; Q365-N369 VanDerWaalsContact O-CB 3.24Å; Q365-N369 WeakPolarHBondContact O-CB 3.36Å; Q365-N369 PolarHBondContact O-N 2.92Å; Q365-N369 PolarHBondContact O-ND2 3.3Å
366	I	77.9	Confident	69.8	Low	108 Å²	108	72.7 Å²	72.7	55%	0.554	37%	0.37	S	S	*	.	H	α-helix	trans	-59.4	-45.7	169.3	-69.1	164.6	0	0	0	110.4	E362 N369 S370	E362-I366 HydrophobicContact CG-CD1 4.09Å; E362-I366 WeakPolarHBondContact O-CG1 3.17Å; E362-I366 PolarHBondContact O-N 2.76Å; I366-N369 PolarHBondContact O-N 3.31Å; I366-S370 PolarHBondContact O-N 3.3Å; I366-S370 PolarHBondContact O-OG 3.06Å
367	Q	73	Confident	67.6	Low	75 Å²	75	73.2 Å²	73.2	35%	0.35	37%	0.371	S	S	.	.	H	α-helix	trans	-68.1	-33.7	178.2	-67.9	177	-5.2	0	0	113.8	K363 L364 Q365 S370 S371	K363-Q367 WeakPolarHBondContact O-CG 3.46Å; K363-Q367 PolarHBondContact O-N 2.93Å; L364-Q367 PolarHBondContact O-N 3.14Å; Q365-Q367 VanDerWaalsContact C-N 3.34Å; Q367-S370 PolarHBondContact O-OG 3.11Å; Q367-S371 PolarHBondContact O-OG 3.1Å
368	L	74.1	Confident	65.4	Low	22 Å²	22	74.9 Å²	74.9	12%	0.115	38%	0.383	C	S	.	.	H	α-helix	trans	-76.8	-24.4	175.1	-79.1	161.2	0	0	0	112.7	R303 Q306 Q307 F310 L364 Q365 K372	R303-L368 HydrophobicContact CG-CD2 4.26Å; Q306-L368 HydrophobicContact CB-CD2 4.47Å; Q307-L368 HydrophobicContact CB-CD2 4.38Å; F310-L368 HydrophobicContact CB-CD1 4.11Å; F310-L368 HydrophobicContact CG-CD1 4.33Å; L364-L368 WeakPolarHBondContact O-CB 3.47Å; L364-L368 WeakPolarHBondContact O-CG 3.49Å; L364-L368 PolarHBondContact O-N 3.46Å; Q365-L368 PolarHBondContact O-N 2.97Å; L368-K372 WeakPolarHBondContact O-CG 3.27Å
369	N	68.1	Low	63	Low	72 Å²	72	74.7 Å²	74.7	39%	0.385	38%	0.384	S	S	.	.	H	α-helix	trans	-85.6	-40.8	177.8	-75.4	-16.3	0	0	0	112.7	Q365 I366 S371 K372 I373	Q365-N369 VanDerWaalsContact O-CB 3.24Å; Q365-N369 WeakPolarHBondContact O-CB 3.36Å; Q365-N369 PolarHBondContact O-N 2.92Å; Q365-N369 PolarHBondContact O-ND2 3.3Å; I366-N369 PolarHBondContact O-N 3.31Å; N369-S371 VanDerWaalsContact C-N 3.31Å; N369-S371 PolarHBondContact O-N 3Å; N369-K372 PolarHBondContact O-N 2.94Å; N369-K372 VanDerWaalsContact O-N 3.1Å; N369-I373 PolarHBondContact O-N 3.14Å
370	S	62.2	Low	60.6	Low	64 Å²	64	74.9 Å²	74.9	45%	0.448	39%	0.385	S	S	.	.	H	α-helix	trans	-56.7	-48.3	172.9	58	0	0	0	0	110.8	I366 Q367 K372 I373	I366-S370 PolarHBondContact O-N 3.3Å; I366-S370 PolarHBondContact O-OG 3.06Å; Q367-S370 PolarHBondContact O-OG 3.11Å; S370-K372 PolarHBondContact O-N 2.89Å; S370-K372 VanDerWaalsContact O-N 3.15Å; S370-I373 PolarHBondContact O-N 3.2Å; S370-I373 VanDerWaalsContact O-N 3.16Å
371	S	53.2	Low	58.6	Low	17 Å²	17	76.5 Å²	76.5	12%	0.119	39%	0.389	C	S	.	.	H	α-helix	trans	-73	0.7	178.4	63.8	0	0	0	0	115.3	R303 Q367 N369 E374	R303-S371 PolarHBondContact NH2-O 3.14Å; Q367-S371 PolarHBondContact O-OG 3.1Å; N369-S371 VanDerWaalsContact C-N 3.31Å; N369-S371 PolarHBondContact O-N 3Å; S371-E374 WeakPolarHBondContact CA-OE2 3.45Å
372	K	52.1	Low	56.4	Low	124 Å²	124	81.3 Å²	81.3	54%	0.539	41%	0.414	S	S	.	.	H	α-helix	trans	-91.3	-32	167.3	-87.6	174.4	178.6	175.3	0	112.8	L368 N369 S370 E374 S375 T376	L368-K372 WeakPolarHBondContact O-CG 3.27Å; N369-K372 PolarHBondContact O-N 2.94Å; N369-K372 VanDerWaalsContact O-N 3.1Å; S370-K372 PolarHBondContact O-N 2.89Å; S370-K372 VanDerWaalsContact O-N 3.15Å; K372-E374 VanDerWaalsContact C-N 3.3Å; K372-E374 PolarHBondContact O-N 3.25Å; K372-S375 PolarHBondContact O-N 3.39Å; K372-S375 PolarHBondContact O-OG 3.17Å; K372-T376 PolarHBondContact O-N 3.17Å; K372-T376 PolarHBondContact O-OG1 2.73Å
373	I	48.8	Very low	54.1	Low	116 Å²	116	81.5 Å²	81.5	60%	0.595	42%	0.415	S	S	*	.	H	α-helix	trans	-65.7	-37.6	-179	-64.1	167.1	0	0	0	110.3	N369 S370 S375 T376 S377	N369-I373 PolarHBondContact O-N 3.14Å; S370-I373 PolarHBondContact O-N 3.2Å; S370-I373 VanDerWaalsContact O-N 3.16Å; I373-S375 PolarHBondContact O-N 3.47Å; I373-T376 PolarHBondContact O-N 2.71Å; I373-T376 PolarHBondContact O-OG1 2.82Å; I373-S377 PolarHBondContact O-N 2.86Å; I373-S377 PolarHBondContact O-OG 3.06Å; I373-S377 VanDerWaalsContact O-OG 3.12Å
374	E	44.7	Very low	51.9	Low	53 Å²	53	78.6 Å²	78.6	25%	0.248	42%	0.417	C	S	.	.	H	α-helix	trans	-59.7	-40.9	175.5	-61.5	169.7	154.9	0	0	112.8	S371 K372 S377 S378 M425	S371-E374 WeakPolarHBondContact CA-OE2 3.45Å; K372-E374 VanDerWaalsContact C-N 3.3Å; K372-E374 PolarHBondContact O-N 3.25Å; E374-S377 PolarHBondContact O-OG 2.79Å; E374-S378 WeakPolarHBondContact O-CB 3.27Å; E374-S378 PolarHBondContact O-N 2.86Å; E374-S378 PolarHBondContact O-OG 3.09Å; E374-M425 WeakPolarHBondContact OE1-CE 3.38Å
375	S	40.9	Very low	49.8	Very low	44 Å²	44	85 Å²	85	31%	0.308	45%	0.451	S	S	.	.	H	α-helix	trans	-71.7	-36.4	178.3	37.9	0	0	0	0	113.4	K372 I373 I379	K372-S375 PolarHBondContact O-N 3.39Å; K372-S375 PolarHBondContact O-OG 3.17Å; I373-S375 PolarHBondContact O-N 3.47Å; S375-I379 WeakPolarHBondContact O-CG1 3.29Å; S375-I379 PolarHBondContact O-N 2.81Å
376	T	38.1	Very low	47.3	Very low	82 Å²	82	84.6 Å²	84.6	50%	0.503	46%	0.458	S	S	.	.	H	α-helix	trans	-83	-27.7	-176.4	54.3	0	0	0	0	113.2	K372 I373 K380	K372-T376 PolarHBondContact O-N 3.17Å; K372-T376 PolarHBondContact O-OG1 2.73Å; I373-T376 PolarHBondContact O-N 2.71Å; I373-T376 PolarHBondContact O-OG1 2.82Å; T376-K380 WeakPolarHBondContact O-CG 3.38Å; T376-K380 PolarHBondContact O-N 3.33Å
377	S	38	Very low	44.9	Very low	49 Å²	49	88.2 Å²	88.2	34%	0.343	47%	0.472	S	S	.	.	H	α-helix	trans	-70.6	-36.6	170.1	63.4	0	0	0	0	112.1	I373 E374 K381	I373-S377 PolarHBondContact O-N 2.86Å; I373-S377 PolarHBondContact O-OG 3.06Å; I373-S377 VanDerWaalsContact O-OG 3.12Å; E374-S377 PolarHBondContact O-OG 2.79Å; S377-K381 WeakPolarHBondContact O-CG 3.11Å; S377-K381 PolarHBondContact O-N 3.3Å
378	S	38.7	Very low	42.8	Very low	40 Å²	40	88.1 Å²	88.1	28%	0.28	49%	0.491	S	S	.	.	H	α-helix	trans	-66.1	-46.1	178.1	-60.3	0	0	0	0	112.5	E374 K381	E374-S378 WeakPolarHBondContact O-CB 3.27Å; E374-S378 PolarHBondContact O-N 2.86Å; E374-S378 PolarHBondContact O-OG 3.09Å; S378-K381 PolarHBondContact O-N 3.28Å
379	I	36.7	Very low	40.7	Very low	88 Å²	88	94.9 Å²	94.9	45%	0.451	53%	0.527	S	S	.	.	H	α-helix	trans	-64.9	-45	179.3	-67.9	168.8	0	0	0	111.1	S375 K381 I382 E383	S375-I379 WeakPolarHBondContact O-CG1 3.29Å; S375-I379 PolarHBondContact O-N 2.81Å; I379-K381 VanDerWaalsContact C-N 3.28Å; I379-K381 PolarHBondContact O-N 3.44Å; I379-I382 PolarHBondContact O-N 2.54Å; I379-E383 HydrophobicContact CG2-CG 4.11Å; I379-E383 PolarHBondContact O-N 3.16Å
380	K	35.2	Very low	38.6	Very low	153 Å²	153	99.1 Å²	99.1	67%	0.665	55%	0.55	S	S	*	*	H	α-helix	trans	-65.1	-25.6	-180	-74.1	-174	173.7	-170.2	0	114.4	T376 I382 A384	T376-K380 WeakPolarHBondContact O-CG 3.38Å; T376-K380 PolarHBondContact O-N 3.33Å; K380-I382 VanDerWaalsContact C-N 3.28Å; K380-A384 WeakPolarHBondContact O-CB 3.27Å; K380-A384 PolarHBondContact O-N 2.93Å
381	K	40	Very low	37.2	Very low	110 Å²	110	102.9 Å²	102.9	48%	0.478	57%	0.565	S	S	.	*	H	α-helix	trans	-74.2	-16.6	171.8	-75	174.9	-179.2	174	0	113.2	S377 S378 I379 E424	S377-K381 WeakPolarHBondContact O-CG 3.11Å; S377-K381 PolarHBondContact O-N 3.3Å; S378-K381 PolarHBondContact O-N 3.28Å; I379-K381 VanDerWaalsContact C-N 3.28Å; I379-K381 PolarHBondContact O-N 3.44Å; K381-E424 IonicContact NZ-OE1 2.78Å; K381-E424 PolarHBondContact NZ-OE1 3.04Å; K381-E424 IonicContact NZ-OE2 3.76Å; K381-E424 PolarHBondContact NZ-OE2 2.96Å
382	I	38.6	Very low	36.1	Very low	123 Å²	123	109.4 Å²	109.4	63%	0.631	59%	0.594	S	S	*	*	H	α-helix	trans	-95.9	-44.4	178.7	-64.3	170.6	0	0	0	110.4	I379 K380 A384 N385	I379-I382 PolarHBondContact O-N 2.54Å; K380-I382 VanDerWaalsContact C-N 3.28Å; I382-A384 PolarHBondContact O-N 3.27Å; I382-N385 PolarHBondContact O-N 3.05Å
383	E	33.9	Very low	34.9	Very low	129 Å²	129	110.6 Å²	110.6	60%	0.603	61%	0.606	S	S	*	*	H	α-helix	trans	-67.2	-21.3	178.1	-66.6	176.2	154.7	0	0	113.4	I379 N385 S386	I379-E383 HydrophobicContact CG2-CG 4.11Å; I379-E383 PolarHBondContact O-N 3.16Å; E383-N385 VanDerWaalsContact C-N 3.32Å; E383-S386 PolarHBondContact O-OG 3.08Å
384	A	35	Very low	33.8	Very low	79 Å²	79	108.5 Å²	108.5	65%	0.653	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	-5.7	175	0	0	0	0	0	114.7	K380 I382	K380-A384 WeakPolarHBondContact O-CB 3.27Å; K380-A384 PolarHBondContact O-N 2.93Å; I382-A384 PolarHBondContact O-N 3.27Å
385	N	35.8	Very low	32.8	Very low	147 Å²	147	112.7 Å²	112.7	79%	0.786	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.3	18.3	-174.3	-91.4	-9.9	0	0	0	113.4	I382 E383	I382-N385 PolarHBondContact O-N 3.05Å; E383-N385 VanDerWaalsContact C-N 3.32Å
386	S	28.6	Very low	32.2	Very low	81 Å²	81	116.7 Å²	116.7	57%	0.566	66%	0.655	S	S	*	*	S	Bend	trans	-129.5	15.7	-171.5	61.5	0	0	0	0	115.2	E383	E383-S386 PolarHBondContact O-OG 3.08Å
387	H	27.6	Very low	31.6	Very low	185 Å²	185	120.1 Å²	120.1	86%	0.856	67%	0.665	S	S	*	*			trans	-132.2	119.6	174.7	-86.1	31.8	0	0	0	111.4
388	G	28.1	Very low	31.1	Very low	72 Å²	72	125 Å²	125	74%	0.742	68%	0.681	S	S	*	*			trans	102.1	122.5	179.5	0	0	0	0	0	112.9
389	N	29.8	Very low	30.3	Very low	164 Å²	164	131.1 Å²	131.1	88%	0.877	71%	0.705	S	S	*	*			cis	-141.1	131.9	-3	-83.3	-27.6	0	0	0	110.3
390	D	24.9	Very low	29.6	Very low	161 Å²	161	131.6 Å²	131.6	86%	0.861	72%	0.716	S	S	*	*			trans	-92.2	114	157.2	-84.1	-49.5	0	0	0	109.2
391	N	32.8	Very low	29.1	Very low	144 Å²	144	131.7 Å²	131.7	77%	0.77	72%	0.722	S	S	*	*			trans	-170.7	97.6	142.4	-102.6	-35.5	0	0	0	113.5
392	Q	29	Very low	28.3	Very low	154 Å²	154	136.6 Å²	136.6	72%	0.72	74%	0.739	S	S	*	*			trans	57.7	120.4	130.7	-67	-164.5	9	0	0	122.8
393	N	26.9	Very low	27.6	Very low	148 Å²	148	139.1 Å²	139.1	79%	0.791	75%	0.746	S	S	*	*			trans	75.9	133.7	135.9	-53	-14.8	0	0	0	120
394	G	25.8	Very low	27.2	Very low	72 Å²	72	139.5 Å²	139.5	74%	0.742	75%	0.752	S	S	*	*			trans	154.6	44.1	155.2	0	0	0	0	0	122.2
395	N	25	Very low	26.6	Very low	141 Å²	141	140 Å²	140	75%	0.754	75%	0.751	S	S	*	*			trans	61.1	142.8	147.1	-87.1	50.9	0	0	0	124.6
396	D	28.4	Very low	26.1	Very low	129 Å²	129	139.6 Å²	139.6	69%	0.69	75%	0.753	S	S	*	*			trans	75.1	96.2	138.6	-52.8	-17.4	0	0	0	124.2
397	E	24.5	Very low	26	Very low	153 Å²	153	143.3 Å²	143.3	72%	0.715	77%	0.767	S	S	*	*				58.8	139.3	124.2	-67.4	-160.5	160.7	0	0	125.8
398	K	26.9	Very low	25.9	Very low	152 Å²	152	143.3 Å²	143.3	66%	0.661	77%	0.767	S	S	*	*			trans	89.3	103.3	144	-81.1	160.8	-179.3	142.4	0	122.7
399	E	22.4	Very low	25.7	Very low	169 Å²	169	144.8 Å²	144.8	79%	0.79	77%	0.766	S	S	*	*				53.2	113.9	118.9	-67.8	-173.6	122.8	0	0	121.8
400	S	22.2	Very low	25.6	Very low	98 Å²	98	146.1 Å²	146.1	69%	0.685	77%	0.767	S	S	*	*				106.6	115.3	118.4	74.7	0	0	0	0	121.5
401	I	24.7	Very low	25.5	Very low	154 Å²	154	148 Å²	148	79%	0.79	77%	0.771	S	S	*	*				87.5	126.5	124	-69.8	174.8	0	0	0	121
402	Y	23.7	Very low	25.1	Very low	214 Å²	214	149.6 Å²	149.6	84%	0.839	78%	0.779	S	S	*	*			trans	98.9	152.9	159.2	-111.2	-106.8	0	0	0	122.5
403	F	24.3	Very low	25.1	Very low	176 Å²	176	145.2 Å²	145.2	77%	0.772	78%	0.776	S	S	*	*			trans	-71.4	166.1	-175.5	-85.9	-117.7	0	0	0	111.9
404	D	24.2	Very low	25.2	Very low	137 Å²	137	147.8 Å²	147.8	73%	0.733	78%	0.78	S	S	*	*			cis	-161	167.5	43.3	-150	-8.3	0	0	0	116.2
405	S	23.8	Very low	25.3	Very low	89 Å²	89	154.4 Å²	154.4	62%	0.622	79%	0.788	S	S	*	*			trans	45	107.3	154.6	70	0	0	0	0	122.4
406	V	25.3	Very low	25.5	Very low	138 Å²	138	157.2 Å²	157.2	84%	0.836	79%	0.794	S	S	*	*			trans	52.8	110.6	132.2	-171.4	0	0	0	0	119.6
407	D	26.1	Very low	25.7	Very low	159 Å²	159	154.2 Å²	154.2	85%	0.85	78%	0.783	S	S	*	*			trans	-146.4	159.1	131.3	-145.5	-19.4	0	0	0	110.2	S409	D407-S409 PolarHBondContact O-N 2.87Å
408	E	24.9	Very low	26.4	Very low	185 Å²	185	150.6 Å²	150.6	86%	0.864	78%	0.775	S	S	*	*			trans	-89.4	102.8	-164.8	-66.1	-171.4	125.4	0	0	115.3
409	S	23.6	Very low	26.7	Very low	104 Å²	104	146.6 Å²	146.6	73%	0.727	76%	0.756	S	S	*	*			trans	-162.7	135.6	156.2	64	0	0	0	0	116.9	D407	D407-S409 PolarHBondContact O-N 2.87Å
410	Q	27.4	Very low	27.3	Very low	192 Å²	192	141 Å²	141	90%	0.897	74%	0.736	S	S	*	*			trans	47.4	85	140.1	-59.2	-178.1	3.9	0	0	120.4
411	E	23.5	Very low	28	Very low	201 Å²	201	141.5 Å²	141.5	94%	0.939	72%	0.723	S	S	*	*			trans	-136.1	104.5	141.2	-80.9	-150.2	133.2	0	0	110.7
412	D	25.1	Very low	28.6	Very low	176 Å²	176	139.2 Å²	139.2	94%	0.941	71%	0.712	S	S	*	*			trans	-132.8	62.6	172.4	-158.1	-8.3	0	0	0	109.8
413	G	28.3	Very low	29.2	Very low	63 Å²	63	132 Å²	132	65%	0.649	69%	0.688	S	S	*	*			trans	-137.9	104.4	-166.7	0	0	0	0	0	113.8
414	K	28.1	Very low	30	Very low	202 Å²	202	128.2 Å²	128.2	88%	0.878	67%	0.673	S	S	*	*	S	Bend	trans	87.6	78.2	174.5	-51	160	-177.4	164.9	0	116.8
415	F	29.4	Very low	30.5	Very low	210 Å²	210	124.1 Å²	124.1	92%	0.921	65%	0.65	S	S	*	*			trans	-162.3	56.2	136	-105.6	-63.2	0	0	0	112.6	S417	F415-S417 VanDerWaalsContact C-N 3.3Å; F415-S417 PolarHBondContact O-N 3.18Å
416	K	27.9	Very low	31.1	Very low	200 Å²	200	121.8 Å²	121.8	87%	0.87	63%	0.63	S	S	*	*			trans	-73.7	83.9	173.3	-80.6	-178	176.2	171	0	111.2
417	S	33.1	Very low	31.8	Very low	67 Å²	67	117.8 Å²	117.8	47%	0.469	60%	0.603	S	S	.	*			trans	-61.8	157.7	173	178.9	0	0	0	0	112.2	F415 Y419 S420	F415-S417 VanDerWaalsContact C-N 3.3Å; F415-S417 PolarHBondContact O-N 3.18Å; S417-Y419 PolarHBondContact O-N 3.03Å; S417-S420 PolarHBondContact O-N 3Å; S417-S420 VanDerWaalsContact O-N 3.17Å
418	S	39.4	Very low	32.6	Very low	77 Å²	77	113.8 Å²	113.8	54%	0.538	59%	0.592	S	S	.	*	T	Hydrogen-bonded Turn	trans	-49.7	-18.4	-178.5	-51	0	0	0	0	115.2	S420 Y421	S418-S420 VanDerWaalsContact C-N 3.27Å; S418-S420 PolarHBondContact O-N 3.19Å; S418-Y421 PolarHBondContact O-N 2.89Å
419	Y	34.2	Very low	33.5	Very low	67 Å²	67	110.1 Å²	110.1	26%	0.263	58%	0.582	S	S	.	*	H	α-helix	trans	-51.6	-39	173	-111.6	-95.3	0	0	0	113.9	S417 Y421 L423 R447	S417-Y419 PolarHBondContact O-N 3.03Å; Y419-Y421 VanDerWaalsContact C-N 3.28Å; Y419-Y421 PolarHBondContact O-N 3.35Å; Y419-L423 VanDerWaalsContact O-CB 3.31Å; Y419-L423 WeakPolarHBondContact O-CB 3.38Å; Y419-L423 PolarHBondContact O-N 3.22Å; Y419-R447 HydrophobicContact CE1-CG 3.73Å; Y419-R447 VanDerWaalsContact CE2-CZ 3.49Å; Y419-R447 VanDerWaalsContact OH-CD 3.31Å; Y419-R447 WeakPolarHBondContact OH-CD 3.19Å; Y419-R447 VanDerWaalsContact OH-CG 3.32Å; Y419-R447 WeakPolarHBondContact OH-CG 3.47Å
420	S	34.5	Very low	34.4	Very low	53 Å²	53	107.8 Å²	107.8	37%	0.371	56%	0.558	S	S	.	*	H	α-helix	trans	-68.9	-25.6	-175.2	74.6	0	0	0	0	113.6	S417 S418 E424	S417-S420 PolarHBondContact O-N 3Å; S417-S420 VanDerWaalsContact O-N 3.17Å; S418-S420 VanDerWaalsContact C-N 3.27Å; S418-S420 PolarHBondContact O-N 3.19Å; S420-E424 WeakPolarHBondContact O-CG 3.48Å; S420-E424 PolarHBondContact O-N 2.93Å
421	Y	37.2	Very low	34.9	Very low	107 Å²	107	102.2 Å²	102.2	42%	0.42	54%	0.537	S	S	.	.	H	α-helix	trans	-74.9	-45.2	179.5	-176.5	-94.1	0	0	0	111.9	S418 Y419 L423 E424 M425	S418-Y421 PolarHBondContact O-N 2.89Å; Y419-Y421 VanDerWaalsContact C-N 3.28Å; Y419-Y421 PolarHBondContact O-N 3.35Å; Y421-L423 VanDerWaalsContact C-N 3.27Å; Y421-L423 PolarHBondContact O-N 3.47Å; Y421-E424 PolarHBondContact O-N 2.92Å; Y421-M425 HydrophobicContact CD1-SD 4.19Å; Y421-M425 HydrophobicContact CE1-CG 4.23Å; Y421-M425 HydrophobicContact CE1-SD 3.54Å; Y421-M425 VanDerWaalsContact CE1-SD 3.54Å; Y421-M425 PolarHBondContact O-N 3.35Å
422	L	36.4	Very low	36	Very low	106 Å²	106	100 Å²	100	56%	0.555	53%	0.532	S	S	*	.	H	α-helix	trans	-63.5	-36.5	171.5	-71.1	174.2	0	0	0	111.1	M425 M426	L422-M425 PolarHBondContact O-N 2.92Å; L422-M426 WeakPolarHBondContact O-CB 3.38Å; L422-M426 VanDerWaalsContact O-CG 3.27Å; L422-M426 WeakPolarHBondContact O-CG 3.48Å; L422-M426 PolarHBondContact O-N 2.91Å
423	L	37.2	Very low	37.4	Very low	62 Å²	62	95.3 Å²	95.3	33%	0.325	51%	0.513	S	S	.	.	H	α-helix	trans	-68.1	-35.9	175.7	-165	66.9	0	0	0	112.7	Y419 Y421 N427 E450	Y419-L423 VanDerWaalsContact O-CB 3.31Å; Y419-L423 WeakPolarHBondContact O-CB 3.38Å; Y419-L423 PolarHBondContact O-N 3.22Å; Y421-L423 VanDerWaalsContact C-N 3.27Å; Y421-L423 PolarHBondContact O-N 3.47Å; L423-N427 VanDerWaalsContact O-CB 3.32Å; L423-N427 WeakPolarHBondContact O-CB 3.29Å; L423-N427 PolarHBondContact O-N 3.28Å; L423-N427 PolarHBondContact O-ND2 3.24Å; L423-E450 WeakPolarHBondContact CD1-OE1 3.45Å
424	E	39.7	Very low	38.6	Very low	98 Å²	98	92.8 Å²	92.8	46%	0.458	48%	0.484	S	S	.	.	H	α-helix	trans	-64.4	-45.3	170.3	-81	-173.7	126.1	0	0	111.2	K381 S420 Y421 N427 A428	K381-E424 IonicContact NZ-OE1 2.78Å; K381-E424 PolarHBondContact NZ-OE1 3.04Å; K381-E424 IonicContact NZ-OE2 3.76Å; K381-E424 PolarHBondContact NZ-OE2 2.96Å; S420-E424 WeakPolarHBondContact O-CG 3.48Å; S420-E424 PolarHBondContact O-N 2.93Å; Y421-E424 PolarHBondContact O-N 2.92Å; E424-N427 PolarHBondContact O-N 3.45Å; E424-A428 PolarHBondContact O-N 3.46Å
425	M	36.2	Very low	39.9	Very low	51 Å²	51	85.3 Å²	85.3	25%	0.251	45%	0.454	S	S	.	.	H	α-helix	trans	-62.9	-42	176	-70.7	-173.5	79.7	0	0	112.9	E374 Y421 L422 A428 V429	E374-M425 WeakPolarHBondContact OE1-CE 3.38Å; Y421-M425 HydrophobicContact CD1-SD 4.19Å; Y421-M425 HydrophobicContact CE1-CG 4.23Å; Y421-M425 HydrophobicContact CE1-SD 3.54Å; Y421-M425 VanDerWaalsContact CE1-SD 3.54Å; Y421-M425 PolarHBondContact O-N 3.35Å; L422-M425 PolarHBondContact O-N 2.92Å; M425-A428 PolarHBondContact O-N 2.86Å; M425-V429 PolarHBondContact O-N 3.2Å
426	M	36	Very low	41.4	Very low	40 Å²	40	79.4 Å²	79.4	20%	0.197	44%	0.435	C	S	.	.	H	α-helix	trans	-68.4	-40.2	178.3	-72.2	177.2	69.3	0	0	111.9	L422 A428 V429 Y430 E450 I453	L422-M426 WeakPolarHBondContact O-CB 3.38Å; L422-M426 VanDerWaalsContact O-CG 3.27Å; L422-M426 WeakPolarHBondContact O-CG 3.48Å; L422-M426 PolarHBondContact O-N 2.91Å; M426-A428 VanDerWaalsContact C-N 3.29Å; M426-A428 PolarHBondContact O-N 3.41Å; M426-V429 PolarHBondContact O-N 3.25Å; M426-Y430 PolarHBondContact O-N 2.96Å; M426-E450 HydrophobicContact CE-CB 4.11Å; M426-E450 HydrophobicContact CE-CG 4.29Å; M426-E450 WeakPolarHBondContact CE-O 3.19Å; M426-E450 HydrophobicContact SD-CB 4.47Å; M426-I453 HydrophobicContact CE-CB 3.73Å; M426-I453 HydrophobicContact CE-CD1 4.24Å; M426-I453 HydrophobicContact CE-CG2 3.62Å
427	N	38.7	Very low	42.9	Very low	54 Å²	54	70 Å²	70	29%	0.289	39%	0.394	S	S	.	.	H	α-helix	trans	-61.9	-36.2	173	-86.4	-63	0	0	0	112.3	L423 E424 V429 T431 N435	L423-N427 VanDerWaalsContact O-CB 3.32Å; L423-N427 WeakPolarHBondContact O-CB 3.29Å; L423-N427 PolarHBondContact O-N 3.28Å; L423-N427 PolarHBondContact O-ND2 3.24Å; E424-N427 PolarHBondContact O-N 3.45Å; N427-V429 PolarHBondContact O-N 3.17Å; N427-T431 WeakPolarHBondContact O-CA 3.47Å; N427-T431 VanDerWaalsContact O-CB 3.28Å; N427-T431 WeakPolarHBondContact O-CB 3.44Å; N427-T431 WeakPolarHBondContact O-CG2 3.29Å; N427-T431 PolarHBondContact O-N 3.39Å; N427-T431 PolarHBondContact O-OG1 3.14Å; N427-N435 PolarHBondContact OD1-ND2 3.24Å; N427-N435 PolarHBondContact OD1-OD1 2.7Å
428	A	44.5	Very low	44	Very low	75 Å²	75	67.1 Å²	67.1	62%	0.62	37%	0.373	S	S	*	.	H	α-helix	trans	-66.1	-19	177.2	0	0	0	0	0	114	E424 M425 M426	E424-A428 PolarHBondContact O-N 3.46Å; M425-A428 PolarHBondContact O-N 2.86Å; M426-A428 VanDerWaalsContact C-N 3.29Å; M426-A428 PolarHBondContact O-N 3.41Å
429	V	42.8	Very low	45.2	Very low	107 Å²	107	68.2 Å²	68.2	65%	0.648	37%	0.374	S	S	*	.	H	α-helix	trans	-107.2	-32.9	-177.2	178.2	0	0	0	0	113.2	M425 M426 N427	M425-V429 PolarHBondContact O-N 3.2Å; M426-V429 PolarHBondContact O-N 3.25Å; N427-V429 PolarHBondContact O-N 3.17Å
430	Y	43.6	Very low	46.5	Very low	56 Å²	56	70.1 Å²	70.1	22%	0.22	39%	0.385	C	S	.	.	H	α-helix	trans	-118.2	17.4	-169.8	-69	-82.2	0	0	0	114.8	M426 N432 S433 F434 I453 S456	M426-Y430 PolarHBondContact O-N 2.96Å; Y430-N432 PolarHBondContact O-N 2.8Å; Y430-S433 PolarHBondContact O-N 2.81Å; Y430-F434 AromaticContact CD1-CD2 3.57Å; Y430-F434 HydrophobicContact CD1-CD2 3.57Å; Y430-F434 AromaticContact CD1-CE2 3.67Å; Y430-F434 HydrophobicContact CD1-CE2 3.67Å; Y430-F434 HydrophobicContact CE1-CD2 4.27Å; Y430-F434 AromaticContact CE1-CE2 3.98Å; Y430-F434 HydrophobicContact CE1-CE2 3.98Å; Y430-F434 HydrophobicContact CG-CD2 4.22Å; Y430-I453 HydrophobicContact CD2-CG2 3.98Å; Y430-I453 HydrophobicContact CE1-CG2 4.26Å; Y430-I453 HydrophobicContact CE2-CG2 3.67Å; Y430-I453 HydrophobicContact CG-CG2 4.4Å; Y430-S456 PolarHBondContact OH-OG 3.3Å
431	T	37.9	Very low	47.6	Very low	75 Å²	75	68.4 Å²	68.4	46%	0.46	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.8	-31.2	-158.8	-22.9	0	0	0	0	116.5	N427 N435	N427-T431 WeakPolarHBondContact O-CA 3.47Å; N427-T431 VanDerWaalsContact O-CB 3.28Å; N427-T431 WeakPolarHBondContact O-CB 3.44Å; N427-T431 WeakPolarHBondContact O-CG2 3.29Å; N427-T431 PolarHBondContact O-N 3.39Å; N427-T431 PolarHBondContact O-OG1 3.14Å; T431-N435 PolarHBondContact O-ND2 3.17Å
432	N	46.9	Very low	48.2	Very low	154 Å²	154	68.8 Å²	68.8	82%	0.824	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.2	5	-170.5	-68.8	-7.5	0	0	0	115.7	Y430	Y430-N432 PolarHBondContact O-N 2.8Å
433	S	53.6	Low	49.1	Very low	77 Å²	77	66.4 Å²	66.4	54%	0.538	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.1	-10.9	-171.1	-57.2	0	0	0	0	117.7	Y430	Y430-S433 PolarHBondContact O-N 2.81Å
434	F	52.6	Low	49.5	Very low	10 Å²	10	70.4 Å²	70.4	4%	0.044	40%	0.396	C	S	.	.	S	Bend	trans	-127.6	-9.7	176.5	-68.2	-76.5	0	0	0	114.3	Y430 T436 V437 T438 I453 F476 L481	Y430-F434 AromaticContact CD1-CD2 3.57Å; Y430-F434 HydrophobicContact CD1-CD2 3.57Å; Y430-F434 AromaticContact CD1-CE2 3.67Å; Y430-F434 HydrophobicContact CD1-CE2 3.67Å; Y430-F434 HydrophobicContact CE1-CD2 4.27Å; Y430-F434 AromaticContact CE1-CE2 3.98Å; Y430-F434 HydrophobicContact CE1-CE2 3.98Å; Y430-F434 HydrophobicContact CG-CD2 4.22Å; F434-T436 PolarHBondContact O-N 3.18Å; F434-V437 PolarHBondContact O-N 3.2Å; F434-V437 VanDerWaalsContact O-N 3.15Å; F434-T438 PolarHBondContact O-N 3.4Å; F434-T438 PolarHBondContact O-OG1 3.3Å; F434-I453 HydrophobicContact CB-CD1 4.27Å; F434-F476 AromaticContact CE1-CD1 3.8Å; F434-F476 HydrophobicContact CE1-CD1 3.8Å; F434-F476 AromaticContact CE1-CE1 3.91Å; F434-F476 HydrophobicContact CE1-CE1 3.91Å; F434-F476 HydrophobicContact CE2-CD1 4.11Å; F434-F476 HydrophobicContact CZ-CB 4.39Å; F434-F476 AromaticContact CZ-CD1 3.39Å; F434-F476 HydrophobicContact CZ-CD1 3.39Å; F434-F476 AromaticContact CZ-CE1 3.99Å; F434-F476 HydrophobicContact CZ-CE1 3.99Å; F434-F476 HydrophobicContact CZ-CG 4.14Å; F434-F476 WeakPolarHBondContact CZ-O 3.43Å; F434-L481 HydrophobicContact CD1-CB 4.2Å; F434-L481 HydrophobicContact CD1-CD2 3.48Å; F434-L481 VanDerWaalsContact CD1-CD2 3.48Å; F434-L481 HydrophobicContact CD1-CG 4.48Å; F434-L481 HydrophobicContact CE1-CB 3.95Å; F434-L481 HydrophobicContact CE1-CD2 4.07Å; F434-L481 HydrophobicContact CG-CD2 4.34Å
435	N	56.6	Low	50	Low	46 Å²	46	67.7 Å²	67.7	25%	0.246	38%	0.382	C	S	.	.	H	α-helix	trans	-66	-17.5	-176.3	-82.9	-19.7	0	0	0	114.2	N427 T431 T438 N439	N427-N435 PolarHBondContact OD1-ND2 3.24Å; N427-N435 PolarHBondContact OD1-OD1 2.7Å; T431-N435 PolarHBondContact O-ND2 3.17Å; N435-T438 WeakPolarHBondContact CA-OG1 3.28Å; N435-N439 VanDerWaalsContact O-CB 3.24Å; N435-N439 WeakPolarHBondContact O-CB 3.3Å; N435-N439 VanDerWaalsContact O-CG 3.22Å; N435-N439 PolarHBondContact O-N 2.67Å; N435-N439 PolarHBondContact O-ND2 3.01Å
436	T	60.8	Low	51.2	Low	85 Å²	85	67.4 Å²	67.4	52%	0.521	38%	0.38	S	S	.	.	H	α-helix	trans	-65.9	-60.8	166.7	-1.5	0	0	0	0	110	F434 T438 N439 E440	F434-T436 PolarHBondContact O-N 3.18Å; T436-T438 PolarHBondContact O-N 2.69Å; T436-N439 PolarHBondContact O-N 2.96Å; T436-N439 VanDerWaalsContact O-N 3.13Å; T436-E440 WeakPolarHBondContact O-CG 3.47Å; T436-E440 PolarHBondContact O-N 3.12Å
437	V	58.6	Low	52.1	Low	2 Å²	2	69.8 Å²	69.8	1%	0.012	39%	0.386	C	S	.	.	H	α-helix	trans	-59.2	-45.5	-177.6	-162.5	0	0	0	0	112.1	F434 N439 E440 L441 E478 L481 R482 I485	F434-V437 PolarHBondContact O-N 3.2Å; F434-V437 VanDerWaalsContact O-N 3.15Å; V437-N439 PolarHBondContact O-N 2.82Å; V437-E440 PolarHBondContact O-N 2.93Å; V437-L441 HydrophobicContact CG1-CD1 4.14Å; V437-L441 VanDerWaalsContact O-CG 3.24Å; V437-L441 WeakPolarHBondContact O-CG 3.29Å; V437-L441 PolarHBondContact O-N 3.34Å; V437-E478 HydrophobicContact CG2-CG 3.24Å; V437-E478 WeakPolarHBondContact CG2-OE1 3.41Å; V437-L481 HydrophobicContact CB-CD2 4.18Å; V437-L481 HydrophobicContact CG1-CD2 4.2Å; V437-L481 HydrophobicContact CG2-CD2 4.48Å; V437-R482 HydrophobicContact CG1-CG 3.98Å; V437-R482 HydrophobicContact CG2-CG 4.27Å; V437-I485 HydrophobicContact CG1-CD1 3.77Å
438	T	57.4	Low	52.7	Low	7 Å²	7	67.5 Å²	67.5	4%	0.043	38%	0.375	C	S	.	.	H	α-helix	trans	-72.8	-15.4	-177.1	59.1	0	0	0	0	113	F434 N435 T436 K446 A449 I453	F434-T438 PolarHBondContact O-N 3.4Å; F434-T438 PolarHBondContact O-OG1 3.3Å; N435-T438 WeakPolarHBondContact CA-OG1 3.28Å; T436-T438 PolarHBondContact O-N 2.69Å; T438-K446 VanDerWaalsContact O-CD 3.28Å; T438-K446 WeakPolarHBondContact O-CD 3.45Å; T438-K446 WeakPolarHBondContact O-CE 3.48Å; T438-K446 WeakPolarHBondContact O-CG 3.28Å; T438-K446 PolarHBondContact O-NZ 3Å; T438-A449 HydrophobicContact CG2-CB 4.46Å; T438-I453 HydrophobicContact CG2-CD1 3.69Å
439	N	63.7	Low	53.4	Low	101 Å²	101	64 Å²	64	54%	0.54	35%	0.346	S	S	.	.	H	α-helix	trans	-100.3	-24.1	173.8	-66.2	-36.2	0	0	0	113.5	N435 T436 V437 L441 K446	N435-N439 VanDerWaalsContact O-CB 3.24Å; N435-N439 WeakPolarHBondContact O-CB 3.3Å; N435-N439 VanDerWaalsContact O-CG 3.22Å; N435-N439 PolarHBondContact O-N 2.67Å; N435-N439 PolarHBondContact O-ND2 3.01Å; T436-N439 PolarHBondContact O-N 2.96Å; T436-N439 VanDerWaalsContact O-N 3.13Å; V437-N439 PolarHBondContact O-N 2.82Å; N439-L441 PolarHBondContact O-N 3.33Å; N439-K446 PolarHBondContact OD1-NZ 3.28Å
440	E	62.6	Low	54.3	Low	106 Å²	106	59.5 Å²	59.5	50%	0.495	32%	0.318	S	S	.	.	H	α-helix	trans	-61.6	-30.8	163.6	-74	166.6	-134.7	0	0	111.9	T436 V437 R482	T436-E440 WeakPolarHBondContact O-CG 3.47Å; T436-E440 PolarHBondContact O-N 3.12Å; V437-E440 PolarHBondContact O-N 2.93Å; E440-R482 IonicContact OE1-CZ 2.67Å; E440-R482 IonicContact OE1-NH1 2.94Å; E440-R482 IonicContact OE1-NH2 2.73Å; E440-R482 PolarHBondContact OE1-NH2 3.49Å; E440-R482 IonicContact OE2-CZ 3.17Å; E440-R482 IonicContact OE2-NH1 2.79Å; E440-R482 PolarHBondContact OE2-NH1 3.07Å; E440-R482 IonicContact OE2-NH2 2.69Å; E440-R482 PolarHBondContact OE2-NH2 3.1Å
441	L	56.7	Low	55	Low	18 Å²	18	58.2 Å²	58.2	9%	0.094	32%	0.315	C	S	.	.			trans	-91.8	136.7	179.4	-61.5	173.3	0	0	0	111.7	V437 N439 K446 A449 I485	V437-L441 HydrophobicContact CG1-CD1 4.14Å; V437-L441 VanDerWaalsContact O-CG 3.24Å; V437-L441 WeakPolarHBondContact O-CG 3.29Å; V437-L441 PolarHBondContact O-N 3.34Å; N439-L441 PolarHBondContact O-N 3.33Å; L441-K446 HydrophobicContact CB-CB 4.25Å; L441-A449 HydrophobicContact CD1-CB 3.99Å; L441-I485 HydrophobicContact CD1-CD1 3.61Å; L441-I485 HydrophobicContact CD1-CG1 4.28Å; L441-I485 HydrophobicContact CD1-CG2 4.33Å
442	T	49.5	Very low	56	Low	115 Å²	115	54.7 Å²	54.7	71%	0.706	29%	0.293	S	S	*	.			trans	-115.4	157.5	175.3	57.9	0	0	0	0	111.3	R444 Y445	T442-R444 PolarHBondContact O-N 3.2Å; T442-R444 VanDerWaalsContact O-N 3.16Å; T442-Y445 PolarHBondContact O-N 3.11Å
443	G	56.3	Low	56.7	Low	55 Å²	55	47.5 Å²	47.5	57%	0.567	26%	0.255	S	S	*	.	H	α-helix	trans	49.6	-117.1	173.9	0	0	0	0	0	114.4	Y445 K446 R447	G443-Y445 PolarHBondContact O-N 3.27Å; G443-K446 PolarHBondContact O-N 3.15Å; G443-R447 PolarHBondContact O-N 3.13Å
444	R	44.1	Very low	56.7	Low	146 Å²	146	46.5 Å²	46.5	55%	0.551	25%	0.248	S	C	*	.	H	α-helix	trans	-63.3	-35.7	-171.7	75.1	-179.3	-176	-155.2	2.9	114	T442 A448 E492 R765	T442-R444 PolarHBondContact O-N 3.2Å; T442-R444 VanDerWaalsContact O-N 3.16Å; R444-A448 PolarHBondContact O-N 2.96Å; R444-E492 IonicContact NE-OE2 3.47Å; R444-R765 PolarHBondContact O-NH2 3.5Å
445	Y	50.4	Low	56.5	Low	41 Å²	41	49.5 Å²	49.5	16%	0.161	26%	0.262	C	S	.	.	H	α-helix	trans	-77.4	-31.7	-177.9	-65.5	-58.7	0	0	0	112.7	T442 G443 A448 A449 R489 E492	T442-Y445 PolarHBondContact O-N 3.11Å; G443-Y445 PolarHBondContact O-N 3.27Å; Y445-A448 PolarHBondContact O-N 2.95Å; Y445-A449 WeakPolarHBondContact O-CB 3.48Å; Y445-A449 PolarHBondContact O-N 3.29Å; Y445-R489 HydrophobicContact CD1-CG 3.96Å; Y445-R489 HydrophobicContact CE1-CG 3.34Å; Y445-E492 WeakPolarHBondContact CE1-OE2 3.29Å; Y445-E492 PolarHBondContact OH-OE2 2.77Å
446	K	62.7	Low	56.2	Low	46 Å²	46	48.2 Å²	48.2	20%	0.2	26%	0.257	C	S	.	.	H	α-helix	trans	-60.9	-53.4	173.8	-173.9	171.5	-173.2	122.6	0	111.4	T438 N439 L441 G443 A448 A449 E450	T438-K446 VanDerWaalsContact O-CD 3.28Å; T438-K446 WeakPolarHBondContact O-CD 3.45Å; T438-K446 WeakPolarHBondContact O-CE 3.48Å; T438-K446 WeakPolarHBondContact O-CG 3.28Å; T438-K446 PolarHBondContact O-NZ 3Å; N439-K446 PolarHBondContact OD1-NZ 3.28Å; L441-K446 HydrophobicContact CB-CB 4.25Å; G443-K446 PolarHBondContact O-N 3.15Å; K446-A448 VanDerWaalsContact C-N 3.29Å; K446-A448 PolarHBondContact O-N 2.87Å; K446-A449 WeakPolarHBondContact O-CB 3.4Å; K446-A449 PolarHBondContact O-N 3.5Å; K446-A449 VanDerWaalsContact O-N 3.16Å; K446-E450 WeakPolarHBondContact CE-OE1 3.48Å; K446-E450 HydrophobicContact CG-CG 4.49Å; K446-E450 VanDerWaalsContact CG-OE1 3.31Å; K446-E450 WeakPolarHBondContact CG-OE1 3.5Å; K446-E450 WeakPolarHBondContact O-CB 3.35Å; K446-E450 VanDerWaalsContact O-CG 3.31Å; K446-E450 WeakPolarHBondContact O-CG 3.24Å; K446-E450 PolarHBondContact O-N 3.3Å
447	R	53.1	Low	55.2	Low	89 Å²	89	51.1 Å²	51.1	34%	0.336	27%	0.268	S	S	.	.	H	α-helix	trans	-59	-37.3	177.7	-66.9	-168.3	170.3	-157.7	-0.4	113.4	Y419 G443 E450 L451 D763	Y419-R447 HydrophobicContact CE1-CG 3.73Å; Y419-R447 VanDerWaalsContact CE2-CZ 3.49Å; Y419-R447 VanDerWaalsContact OH-CD 3.31Å; Y419-R447 WeakPolarHBondContact OH-CD 3.19Å; Y419-R447 VanDerWaalsContact OH-CG 3.32Å; Y419-R447 WeakPolarHBondContact OH-CG 3.47Å; G443-R447 PolarHBondContact O-N 3.13Å; R447-E450 WeakPolarHBondContact CA-OE2 3.36Å; R447-E450 PolarHBondContact O-N 3.31Å; R447-L451 PolarHBondContact O-N 2.91Å; R447-D763 IonicContact NH1-OD1 3.31Å; R447-D763 PolarHBondContact NH1-OD1 3.12Å
448	A	52.6	Low	54.2	Low	7 Å²	7	55.3 Å²	55.3	6%	0.058	30%	0.295	C	S	.	.	H	α-helix	trans	-69.1	-44.3	176.7	0	0	0	0	0	111.5	R444 Y445 K446 E450 L451 L452 L750	R444-A448 PolarHBondContact O-N 2.96Å; Y445-A448 PolarHBondContact O-N 2.95Å; K446-A448 VanDerWaalsContact C-N 3.29Å; K446-A448 PolarHBondContact O-N 2.87Å; A448-E450 VanDerWaalsContact C-N 3.3Å; A448-E450 PolarHBondContact O-N 2.86Å; A448-L451 PolarHBondContact O-N 3.4Å; A448-L452 WeakPolarHBondContact O-CB 3.28Å; A448-L452 WeakPolarHBondContact O-CD1 3.48Å; A448-L452 VanDerWaalsContact O-CG 3.22Å; A448-L452 WeakPolarHBondContact O-CG 3.5Å; A448-L452 PolarHBondContact O-N 3.37Å; A448-L750 HydrophobicContact CB-CD1 4.48Å
449	A	59.9	Low	53.3	Low	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-59.4	-40.9	172.6	0	0	0	0	0	111.8	T438 L441 Y445 K446 L452 I453 L481 I485	T438-A449 HydrophobicContact CG2-CB 4.46Å; L441-A449 HydrophobicContact CD1-CB 3.99Å; Y445-A449 WeakPolarHBondContact O-CB 3.48Å; Y445-A449 PolarHBondContact O-N 3.29Å; K446-A449 WeakPolarHBondContact O-CB 3.4Å; K446-A449 PolarHBondContact O-N 3.5Å; K446-A449 VanDerWaalsContact O-N 3.16Å; A449-L452 PolarHBondContact O-N 2.75Å; A449-I453 WeakPolarHBondContact O-CD1 3.41Å; A449-I453 VanDerWaalsContact O-CG1 3.22Å; A449-I453 WeakPolarHBondContact O-CG1 3.47Å; A449-I453 PolarHBondContact O-N 3.41Å; A449-L481 HydrophobicContact CB-CD1 4.11Å; A449-I485 HydrophobicContact CB-CD1 3.94Å; A449-I485 HydrophobicContact CB-CG1 4.08Å
450	E	61.7	Low	52	Low	14 Å²	14	56.5 Å²	56.5	7%	0.065	32%	0.316	C	S	.	.	H	α-helix	trans	-65.1	-40.9	177.9	-72.2	161.5	165.9	0	0	112.4	L423 M426 K446 R447 A448 I453 S454	L423-E450 WeakPolarHBondContact CD1-OE1 3.45Å; M426-E450 HydrophobicContact CE-CB 4.11Å; M426-E450 HydrophobicContact CE-CG 4.29Å; M426-E450 WeakPolarHBondContact CE-O 3.19Å; M426-E450 HydrophobicContact SD-CB 4.47Å; K446-E450 WeakPolarHBondContact CE-OE1 3.48Å; K446-E450 HydrophobicContact CG-CG 4.49Å; K446-E450 VanDerWaalsContact CG-OE1 3.31Å; K446-E450 WeakPolarHBondContact CG-OE1 3.5Å; K446-E450 WeakPolarHBondContact O-CB 3.35Å; K446-E450 VanDerWaalsContact O-CG 3.31Å; K446-E450 WeakPolarHBondContact O-CG 3.24Å; K446-E450 PolarHBondContact O-N 3.3Å; R447-E450 WeakPolarHBondContact CA-OE2 3.36Å; R447-E450 PolarHBondContact O-N 3.31Å; A448-E450 VanDerWaalsContact C-N 3.3Å; A448-E450 PolarHBondContact O-N 2.86Å; E450-I453 PolarHBondContact O-N 3.4Å; E450-S454 PolarHBondContact O-N 2.9Å
451	L	57	Low	50.8	Low	28 Å²	28	57.3 Å²	57.3	15%	0.147	33%	0.328	C	S	.	.	H	α-helix	trans	-63.7	-41.5	170	-78.1	170.1	0	0	0	112.5	R447 A448 I453 S454 Q455 L750	R447-L451 PolarHBondContact O-N 2.91Å; A448-L451 PolarHBondContact O-N 3.4Å; L451-I453 VanDerWaalsContact C-N 3.29Å; L451-I453 PolarHBondContact O-N 3.05Å; L451-S454 PolarHBondContact O-N 3.18Å; L451-S454 VanDerWaalsContact O-N 3.15Å; L451-S454 PolarHBondContact O-OG 2.84Å; L451-Q455 WeakPolarHBondContact O-CG 3.46Å; L451-Q455 PolarHBondContact O-N 3.17Å; L451-L750 HydrophobicContact CD1-CD1 3.9Å; L451-L750 HydrophobicContact CD1-CD2 3.63Å; L451-L750 HydrophobicContact CD1-CG 3.64Å
452	L	59.2	Low	49.9	Very low	1 Å²	1	63.3 Å²	63.3	1%	0.005	36%	0.356	C	S	.	.	H	α-helix	trans	-66.9	-30.1	178	-70	163.2	0	0	0	112.7	A448 A449 S456 L481 R484 A742 V743 S746	A448-L452 WeakPolarHBondContact O-CB 3.28Å; A448-L452 WeakPolarHBondContact O-CD1 3.48Å; A448-L452 VanDerWaalsContact O-CG 3.22Å; A448-L452 WeakPolarHBondContact O-CG 3.5Å; A448-L452 PolarHBondContact O-N 3.37Å; A449-L452 PolarHBondContact O-N 2.75Å; L452-S456 PolarHBondContact O-N 2.86Å; L452-L481 HydrophobicContact CB-CD1 4.1Å; L452-R484 HydrophobicContact CD1-CB 3.86Å; L452-R484 HydrophobicContact CD2-CB 4.27Å; L452-R484 PolarHBondContact O-NH1 3.42Å; L452-R484 VanDerWaalsContact O-NH1 3.15Å; L452-A742 HydrophobicContact CD2-CB 4.4Å; L452-A742 WeakPolarHBondContact CD2-O 3.45Å; L452-V743 HydrophobicContact CD2-CG2 4.05Å; L452-S746 WeakPolarHBondContact CD2-OG 3.23Å
453	I	60.8	Low	49.3	Very low	4 Å²	4	61.2 Å²	61.2	2%	0.021	34%	0.343	C	S	.	.	H	α-helix	trans	-72.8	-42.2	169.3	-64.3	157.9	0	0	0	110.4	M426 Y430 F434 T438 A449 E450 L451 Q455 S456 F476 L481	M426-I453 HydrophobicContact CE-CB 3.73Å; M426-I453 HydrophobicContact CE-CD1 4.24Å; M426-I453 HydrophobicContact CE-CG2 3.62Å; Y430-I453 HydrophobicContact CD2-CG2 3.98Å; Y430-I453 HydrophobicContact CE1-CG2 4.26Å; Y430-I453 HydrophobicContact CE2-CG2 3.67Å; Y430-I453 HydrophobicContact CG-CG2 4.4Å; F434-I453 HydrophobicContact CB-CD1 4.27Å; T438-I453 HydrophobicContact CG2-CD1 3.69Å; A449-I453 WeakPolarHBondContact O-CD1 3.41Å; A449-I453 VanDerWaalsContact O-CG1 3.22Å; A449-I453 WeakPolarHBondContact O-CG1 3.47Å; A449-I453 PolarHBondContact O-N 3.41Å; E450-I453 PolarHBondContact O-N 3.4Å; L451-I453 VanDerWaalsContact C-N 3.29Å; L451-I453 PolarHBondContact O-N 3.05Å; I453-Q455 VanDerWaalsContact C-N 3.32Å; I453-Q455 PolarHBondContact O-N 3.12Å; I453-S456 WeakPolarHBondContact O-CA 3.21Å; I453-S456 VanDerWaalsContact O-CB 3.27Å; I453-S456 WeakPolarHBondContact O-CB 3.3Å; I453-S456 PolarHBondContact O-N 3.17Å; I453-S456 PolarHBondContact O-OG 2.89Å; I453-F476 HydrophobicContact CG1-CE1 3.97Å; I453-L481 HydrophobicContact CD1-CD1 4.5Å; I453-L481 HydrophobicContact CD1-CD2 3.81Å; I453-L481 HydrophobicContact CG1-CD1 4Å; I453-L481 HydrophobicContact CG1-CD2 3.97Å
454	S	54	Low	48.3	Very low	56 Å²	56	66.4 Å²	66.4	39%	0.392	35%	0.352	S	S	.	.	H	α-helix	trans	-66.7	-33.9	-179.8	78.6	0	0	0	0	112.6	E450 L451 S456	E450-S454 PolarHBondContact O-N 2.9Å; L451-S454 PolarHBondContact O-N 3.18Å; L451-S454 VanDerWaalsContact O-N 3.15Å; L451-S454 PolarHBondContact O-OG 2.84Å; S454-S456 PolarHBondContact O-N 2.82Å
455	Q	49	Very low	47.7	Very low	73 Å²	73	68.2 Å²	68.2	34%	0.341	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-12.3	168.3	-68	-172.7	6.3	0	0	113.6	L451 I453 L457 A742 S746	L451-Q455 WeakPolarHBondContact O-CG 3.46Å; L451-Q455 PolarHBondContact O-N 3.17Å; I453-Q455 VanDerWaalsContact C-N 3.32Å; I453-Q455 PolarHBondContact O-N 3.12Å; Q455-L457 PolarHBondContact O-N 2.8Å; Q455-A742 PolarHBondContact OE1-O 3.25Å; Q455-A742 VanDerWaalsContact OE1-O 3.07Å; Q455-S746 PolarHBondContact NE2-OG 3.09Å; Q455-S746 PolarHBondContact OE1-OG 3.49Å
456	S	49.7	Very low	46.6	Very low	19 Å²	19	69.3 Å²	69.3	13%	0.133	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	21	173.1	84	0	0	0	0	113.8	Y430 L452 I453 S454 F476	Y430-S456 PolarHBondContact OH-OG 3.3Å; L452-S456 PolarHBondContact O-N 2.86Å; I453-S456 WeakPolarHBondContact O-CA 3.21Å; I453-S456 VanDerWaalsContact O-CB 3.27Å; I453-S456 WeakPolarHBondContact O-CB 3.3Å; I453-S456 PolarHBondContact O-N 3.17Å; I453-S456 PolarHBondContact O-OG 2.89Å; S454-S456 PolarHBondContact O-N 2.82Å; S456-F476 WeakPolarHBondContact OG-CD1 3.46Å
457	L	41.1	Very low	44.9	Very low	146 Å²	146	75.2 Å²	75.2	76%	0.764	42%	0.416	S	S	*	.			trans	-45.3	125.1	170.1	-97.1	169.8	0	0	0	110.3	Q455	Q455-L457 PolarHBondContact O-N 2.8Å
458	P	37.6	Very low	43.7	Very low	89 Å²	89	78.2 Å²	78.2	58%	0.578	44%	0.438	S	S	*	.			trans	-56.9	150.2	-173.7	-29	35.4	0	0	0	112.9	A460	P458-A460 PolarHBondContact O-N 2.86Å
459	S	37.8	Very low	42.5	Very low	58 Å²	58	84.3 Å²	84.3	41%	0.406	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	3.4	175.7	-163.5	0	0	0	0	114.4	V461 Q462 T463	S459-V461 PolarHBondContact O-N 3.1Å; S459-Q462 CarbonylContact O-C 3.6Å; S459-Q462 PolarHBondContact O-N 2.84Å; S459-T463 WeakPolarHBondContact CB-OG1 3.47Å; S459-T463 VanDerWaalsContact O-CB 3.3Å; S459-T463 WeakPolarHBondContact O-CB 3.3Å; S459-T463 PolarHBondContact O-N 3.13Å; S459-T463 PolarHBondContact O-OG1 2.71Å; S459-T463 PolarHBondContact OG-OG1 3.12Å
460	A	36.6	Very low	41	Very low	75 Å²	75	89.4 Å²	89.4	62%	0.62	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-22.1	177.3	0	0	0	0	0	114.9	P458	P458-A460 PolarHBondContact O-N 2.86Å
461	V	37	Very low	39.4	Very low	123 Å²	123	94.9 Å²	94.9	75%	0.745	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	-30.7	172.2	-177.7	0	0	0	0	112.6	S459	S459-V461 PolarHBondContact O-N 3.1Å
462	Q	36.8	Very low	38.2	Very low	145 Å²	145	97.7 Å²	97.7	68%	0.678	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.7	-28.9	178.8	-68.3	177.1	-3.8	0	0	113	S459 Q464 M465	S459-Q462 CarbonylContact O-C 3.6Å; S459-Q462 PolarHBondContact O-N 2.84Å; Q462-Q464 PolarHBondContact O-N 2.82Å; Q462-M465 PolarHBondContact O-N 3.36Å; Q462-M465 VanDerWaalsContact O-N 3.16Å
463	T	37.6	Very low	36.9	Very low	71 Å²	71	104.9 Å²	104.9	44%	0.436	61%	0.611	S	S	.	*	G	3₁₀ helix	trans	-74.7	-9.5	-177.3	-46.4	0	0	0	0	112.3	S459 M465 S466	S459-T463 WeakPolarHBondContact CB-OG1 3.47Å; S459-T463 VanDerWaalsContact O-CB 3.3Å; S459-T463 WeakPolarHBondContact O-CB 3.3Å; S459-T463 PolarHBondContact O-N 3.13Å; S459-T463 PolarHBondContact O-OG1 2.71Å; S459-T463 PolarHBondContact OG-OG1 3.12Å; T463-M465 PolarHBondContact O-N 3.16Å; T463-S466 PolarHBondContact O-N 2.89Å
464	Q	36	Very low	36.1	Very low	163 Å²	163	109.6 Å²	109.6	76%	0.762	64%	0.643	S	S	*	*	G	3₁₀ helix	trans	-66.9	-6.7	167.1	-68.7	-164	-13.5	0	0	113	Q462	Q462-Q464 PolarHBondContact O-N 2.82Å
465	M	31.6	Very low	36	Very low	184 Å²	184	114.9 Å²	114.9	91%	0.906	66%	0.659	S	S	*	*	G	3₁₀ helix	trans	-102.5	1.6	173.9	-66.7	-172.3	137.8	0	0	114.6	Q462 T463	Q462-M465 PolarHBondContact O-N 3.36Å; Q462-M465 VanDerWaalsContact O-N 3.16Å; T463-M465 PolarHBondContact O-N 3.16Å
466	S	26.6	Very low	36.5	Very low	64 Å²	64	113.3 Å²	113.3	45%	0.448	65%	0.651	S	S	.	*			trans	-143.2	87.8	-179.7	62.4	0	0	0	0	112	T463	T463-S466 PolarHBondContact O-N 2.89Å
467	L	27.3	Very low	37.5	Very low	170 Å²	170	115.4 Å²	115.4	89%	0.89	66%	0.663	S	S	*	*			trans	-67.6	146.3	161	-71.2	166.8	0	0	0	109.2
468	N	27	Very low	38.8	Very low	152 Å²	152	111.9 Å²	111.9	81%	0.813	64%	0.643	S	S	*	*			trans	70.4	83.5	-177.1	-55.8	-13.4	0	0	0	116.3
469	T	27.4	Very low	40.5	Very low	136 Å²	136	111 Å²	111	83%	0.834	64%	0.643	S	S	*	*			trans	-156.9	158.4	134.5	1.2	0	0	0	0	110.1
470	S	28.8	Very low	42	Very low	106 Å²	106	110.7 Å²	110.7	74%	0.741	63%	0.634	S	S	*	*			trans	-75.7	153.1	-168.5	40.5	0	0	0	0	114.1	S472	S470-S472 PolarHBondContact O-N 3.39Å; S470-S472 VanDerWaalsContact O-N 3.15Å
471	S	29.5	Very low	43.7	Very low	129 Å²	129	107.1 Å²	107.1	90%	0.902	61%	0.605	S	S	*	*			trans	-84.1	84.1	-176.7	57.6	0	0	0	0	112.8
472	S	30.3	Very low	45.5	Very low	87 Å²	87	105.7 Å²	105.7	61%	0.608	59%	0.586	S	S	*	*			trans	-144.1	127.2	168.4	50.4	0	0	0	0	111.9	S470 C474	S470-S472 PolarHBondContact O-N 3.39Å; S470-S472 VanDerWaalsContact O-N 3.15Å; S472-C474 PolarHBondContact O-N 3Å
473	D	32.1	Very low	47.4	Very low	152 Å²	152	102.9 Å²	102.9	81%	0.813	57%	0.573	S	S	*	*			trans	54.1	49.6	155.4	-54.5	-29	0	0	0	120
474	C	43.4	Very low	49.4	Very low	103 Å²	103	100.5 Å²	100.5	70%	0.696	56%	0.556	S	S	*	*			trans	-112.9	40.7	155.5	-139.8	0	0	0	0	112.2	S472	S472-C474 PolarHBondContact O-N 3Å
475	K	53.2	Low	51.2	Low	167 Å²	167	93.1 Å²	93.1	73%	0.726	52%	0.521	S	S	*	.			trans	-81.1	139.3	167.7	-69.4	176.8	-179.2	171.2	0	109.1	T477	K475-T477 WeakPolarHBondContact O-CG2 3.46Å; K475-T477 PolarHBondContact O-N 2.94Å
476	F	60.1	Low	53.3	Low	41 Å²	41	88.6 Å²	88.6	18%	0.18	50%	0.498	C	S	.	.			trans	-61.6	134.1	166.8	-170.3	-124.3	0	0	0	108.8	F434 I453 S456 K480 L481	F434-F476 AromaticContact CE1-CD1 3.8Å; F434-F476 HydrophobicContact CE1-CD1 3.8Å; F434-F476 AromaticContact CE1-CE1 3.91Å; F434-F476 HydrophobicContact CE1-CE1 3.91Å; F434-F476 HydrophobicContact CE2-CD1 4.11Å; F434-F476 HydrophobicContact CZ-CB 4.39Å; F434-F476 AromaticContact CZ-CD1 3.39Å; F434-F476 HydrophobicContact CZ-CD1 3.39Å; F434-F476 AromaticContact CZ-CE1 3.99Å; F434-F476 HydrophobicContact CZ-CE1 3.99Å; F434-F476 HydrophobicContact CZ-CG 4.14Å; F434-F476 WeakPolarHBondContact CZ-O 3.43Å; I453-F476 HydrophobicContact CG1-CE1 3.97Å; S456-F476 WeakPolarHBondContact OG-CD1 3.46Å; F476-K480 HydrophobicContact CD2-CB 4.16Å; F476-K480 HydrophobicContact CE2-CB 3.97Å; F476-L481 HydrophobicContact CE1-CB 3.89Å; F476-L481 HydrophobicContact CE1-CD1 4.06Å; F476-L481 HydrophobicContact CE1-CG 4.41Å; F476-L481 HydrophobicContact CZ-CB 3.77Å; F476-L481 HydrophobicContact CZ-CD1 3.91Å; F476-L481 HydrophobicContact CZ-CG 4.41Å
477	T	70.7	Confident	55.7	Low	63 Å²	63	87 Å²	87	39%	0.387	48%	0.484	S	S	.	.			trans	-118.3	156.9	-173.8	62.2	0	0	0	0	111.8	K475 A479 K480 L481	K475-T477 WeakPolarHBondContact O-CG2 3.46Å; K475-T477 PolarHBondContact O-N 2.94Å; T477-A479 PolarHBondContact O-N 3.06Å; T477-K480 PolarHBondContact O-N 3.19Å; T477-K480 PolarHBondContact OG1-N 3.21Å; T477-L481 PolarHBondContact O-N 2.98Å
478	E	67.7	Low	57.8	Low	72 Å²	72	79.1 Å²	79.1	34%	0.336	44%	0.443	S	S	.	.	H	α-helix	trans	-54.4	-41.5	176.4	-159.5	-167.6	135	0	0	111.9	V437 K480 L481 R482	V437-E478 HydrophobicContact CG2-CG 3.24Å; V437-E478 WeakPolarHBondContact CG2-OE1 3.41Å; E478-K480 PolarHBondContact O-N 2.99Å; E478-L481 PolarHBondContact O-N 3.27Å; E478-R482 WeakPolarHBondContact O-CG 3.37Å; E478-R482 PolarHBondContact O-N 3.45Å; E478-R482 IonicContact OE1-CZ 3.43Å; E478-R482 IonicContact OE1-NE 2.69Å; E478-R482 PolarHBondContact OE1-NE 3.32Å; E478-R482 IonicContact OE1-NH2 2.7Å; E478-R482 PolarHBondContact OE1-NH2 3.26Å
479	A	72.4	Confident	60.1	Low	69 Å²	69	75.7 Å²	75.7	57%	0.57	42%	0.419	S	S	*	.	H	α-helix	trans	-61.6	-42.1	176.1	0	0	0	0	0	112.9	T477 L481 R482 H483	T477-A479 PolarHBondContact O-N 3.06Å; A479-L481 VanDerWaalsContact C-N 3.35Å; A479-R482 PolarHBondContact O-N 3.39Å; A479-H483 WeakPolarHBondContact O-CB 3.45Å; A479-H483 PolarHBondContact O-N 2.88Å
480	K	70.5	Confident	62.4	Low	53 Å²	53	73.6 Å²	73.6	23%	0.23	40%	0.4	C	S	.	.	H	α-helix	trans	-66.6	-35.5	175.1	-78.8	-178.3	171.3	170.6	0	112	F476 T477 E478 R484 E735	F476-K480 HydrophobicContact CD2-CB 4.16Å; F476-K480 HydrophobicContact CE2-CB 3.97Å; T477-K480 PolarHBondContact O-N 3.19Å; T477-K480 PolarHBondContact OG1-N 3.21Å; E478-K480 PolarHBondContact O-N 2.99Å; K480-R484 VanDerWaalsContact O-CG 3.27Å; K480-R484 WeakPolarHBondContact O-CG 3.45Å; K480-R484 PolarHBondContact O-N 3.38Å; K480-R484 VanDerWaalsContact O-N 3.09Å; K480-E735 IonicContact NZ-OE1 3.07Å; K480-E735 PolarHBondContact NZ-OE1 3.4Å; K480-E735 IonicContact NZ-OE2 2.67Å; K480-E735 PolarHBondContact NZ-OE2 3.16Å
481	L	72.3	Confident	64.6	Low	0 Å²	0	69.9 Å²	69.9	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-64.6	-51.6	172.1	-177.8	60.9	0	0	0	111.5	F434 V437 A449 L452 I453 F476 T477 E478 A479 H483 R484 I485	F434-L481 HydrophobicContact CD1-CB 4.2Å; F434-L481 HydrophobicContact CD1-CD2 3.48Å; F434-L481 VanDerWaalsContact CD1-CD2 3.48Å; F434-L481 HydrophobicContact CD1-CG 4.48Å; F434-L481 HydrophobicContact CE1-CB 3.95Å; F434-L481 HydrophobicContact CE1-CD2 4.07Å; F434-L481 HydrophobicContact CG-CD2 4.34Å; V437-L481 HydrophobicContact CB-CD2 4.18Å; V437-L481 HydrophobicContact CG1-CD2 4.2Å; V437-L481 HydrophobicContact CG2-CD2 4.48Å; A449-L481 HydrophobicContact CB-CD1 4.11Å; L452-L481 HydrophobicContact CB-CD1 4.1Å; I453-L481 HydrophobicContact CD1-CD1 4.5Å; I453-L481 HydrophobicContact CD1-CD2 3.81Å; I453-L481 HydrophobicContact CG1-CD1 4Å; I453-L481 HydrophobicContact CG1-CD2 3.97Å; F476-L481 HydrophobicContact CE1-CB 3.89Å; F476-L481 HydrophobicContact CE1-CD1 4.06Å; F476-L481 HydrophobicContact CE1-CG 4.41Å; F476-L481 HydrophobicContact CZ-CB 3.77Å; F476-L481 HydrophobicContact CZ-CD1 3.91Å; F476-L481 HydrophobicContact CZ-CG 4.41Å; T477-L481 PolarHBondContact O-N 2.98Å; E478-L481 PolarHBondContact O-N 3.27Å; A479-L481 VanDerWaalsContact C-N 3.35Å; L481-H483 VanDerWaalsContact C-N 3.31Å; L481-H483 PolarHBondContact O-N 2.97Å; L481-R484 PolarHBondContact O-N 3.33Å; L481-I485 HydrophobicContact CD1-CD1 4.14Å; L481-I485 HydrophobicContact CD1-CG1 4.41Å; L481-I485 HydrophobicContact CG-CD1 3.79Å; L481-I485 WeakPolarHBondContact O-CD1 3.48Å; L481-I485 WeakPolarHBondContact O-CG1 3.31Å; L481-I485 PolarHBondContact O-N 3.4Å
482	R	74.4	Confident	66.8	Low	93 Å²	93	64.8 Å²	64.8	35%	0.351	33%	0.333	S	S	.	.	H	α-helix	trans	-58.3	-41.1	178.6	-70.7	-174.5	-173.5	-92.7	3.7	111.9	V437 E440 E478 A479 I485 E486	V437-R482 HydrophobicContact CG1-CG 3.98Å; V437-R482 HydrophobicContact CG2-CG 4.27Å; E440-R482 IonicContact OE1-CZ 2.67Å; E440-R482 IonicContact OE1-NH1 2.94Å; E440-R482 IonicContact OE1-NH2 2.73Å; E440-R482 PolarHBondContact OE1-NH2 3.49Å; E440-R482 IonicContact OE2-CZ 3.17Å; E440-R482 IonicContact OE2-NH1 2.79Å; E440-R482 PolarHBondContact OE2-NH1 3.07Å; E440-R482 IonicContact OE2-NH2 2.69Å; E440-R482 PolarHBondContact OE2-NH2 3.1Å; E478-R482 WeakPolarHBondContact O-CG 3.37Å; E478-R482 PolarHBondContact O-N 3.45Å; E478-R482 IonicContact OE1-CZ 3.43Å; E478-R482 IonicContact OE1-NE 2.69Å; E478-R482 PolarHBondContact OE1-NE 3.32Å; E478-R482 IonicContact OE1-NH2 2.7Å; E478-R482 PolarHBondContact OE1-NH2 3.26Å; A479-R482 PolarHBondContact O-N 3.39Å; R482-I485 PolarHBondContact O-N 2.71Å; R482-E486 PolarHBondContact O-N 2.96Å; R482-E486 VanDerWaalsContact O-N 3.08Å
483	H	77.2	Confident	68.7	Low	86 Å²	86	69.4 Å²	69.4	40%	0.398	34%	0.343	S	S	.	.	H	α-helix	trans	-61.9	-47.1	174.9	-180	43.9	0	0	0	112.7	A479 L481 I485 E486 M487	A479-H483 WeakPolarHBondContact O-CB 3.45Å; A479-H483 PolarHBondContact O-N 2.88Å; L481-H483 VanDerWaalsContact C-N 3.31Å; L481-H483 PolarHBondContact O-N 2.97Å; H483-I485 VanDerWaalsContact C-N 3.31Å; H483-I485 PolarHBondContact O-N 3.07Å; H483-E486 PolarHBondContact O-N 3.24Å; H483-M487 PolarHBondContact O-N 3.06Å
484	R	78.3	Confident	70.5	Confident	21 Å²	21	66.6 Å²	66.6	8%	0.079	33%	0.327	C	S	.	.	H	α-helix	trans	-61.3	-37.2	176.4	-72.1	168.8	169.4	-149.6	-3.3	112.7	L452 K480 L481 A488 D739 V743	L452-R484 HydrophobicContact CD1-CB 3.86Å; L452-R484 HydrophobicContact CD2-CB 4.27Å; L452-R484 PolarHBondContact O-NH1 3.42Å; L452-R484 VanDerWaalsContact O-NH1 3.15Å; K480-R484 VanDerWaalsContact O-CG 3.27Å; K480-R484 WeakPolarHBondContact O-CG 3.45Å; K480-R484 PolarHBondContact O-N 3.38Å; K480-R484 VanDerWaalsContact O-N 3.09Å; L481-R484 PolarHBondContact O-N 3.33Å; R484-A488 WeakPolarHBondContact O-CB 3.37Å; R484-A488 PolarHBondContact O-N 3.26Å; R484-D739 HydrophobicContact CG-CB 4.17Å; R484-D739 IonicContact CZ-OD1 3.47Å; R484-D739 IonicContact NE-OD1 3.93Å; R484-D739 PolarHBondContact NE-OD1 3.18Å; R484-D739 IonicContact NH2-OD1 3.06Å; R484-D739 PolarHBondContact NH2-OD1 3.46Å; R484-V743 HydrophobicContact CB-CG2 3.72Å; R484-V743 HydrophobicContact CG-CG2 3.97Å; R484-V743 WeakPolarHBondContact O-CG2 3.47Å
485	I	74	Confident	71.6	Confident	8 Å²	8	64.6 Å²	64.6	4%	0.041	31%	0.309	C	S	.	.	H	α-helix	trans	-64.2	-41.8	175.2	-66.9	152.4	0	0	0	111	V437 L441 A449 L481 R482 H483 A488 R489	V437-I485 HydrophobicContact CG1-CD1 3.77Å; L441-I485 HydrophobicContact CD1-CD1 3.61Å; L441-I485 HydrophobicContact CD1-CG1 4.28Å; L441-I485 HydrophobicContact CD1-CG2 4.33Å; A449-I485 HydrophobicContact CB-CD1 3.94Å; A449-I485 HydrophobicContact CB-CG1 4.08Å; L481-I485 HydrophobicContact CD1-CD1 4.14Å; L481-I485 HydrophobicContact CD1-CG1 4.41Å; L481-I485 HydrophobicContact CG-CD1 3.79Å; L481-I485 WeakPolarHBondContact O-CD1 3.48Å; L481-I485 WeakPolarHBondContact O-CG1 3.31Å; L481-I485 PolarHBondContact O-N 3.4Å; R482-I485 PolarHBondContact O-N 2.71Å; H483-I485 VanDerWaalsContact C-N 3.31Å; H483-I485 PolarHBondContact O-N 3.07Å; I485-A488 WeakPolarHBondContact O-CB 3.37Å; I485-A488 PolarHBondContact O-N 3.37Å; I485-R489 WeakPolarHBondContact O-CG 3.38Å; I485-R489 PolarHBondContact O-N 3.14Å
486	E	76.9	Confident	72.3	Confident	89 Å²	89	58.8 Å²	58.8	42%	0.416	30%	0.297	S	S	.	.	H	α-helix	trans	-71.4	-40.8	-179.5	-152.4	61.1	-156.5	0	0	111.8	R482 H483 A488 R489 E490	R482-E486 PolarHBondContact O-N 2.96Å; R482-E486 VanDerWaalsContact O-N 3.08Å; H483-E486 PolarHBondContact O-N 3.24Å; E486-A488 VanDerWaalsContact C-N 3.27Å; E486-A488 PolarHBondContact O-N 3.46Å; E486-R489 WeakPolarHBondContact O-CB 3.4Å; E486-R489 PolarHBondContact O-N 2.93Å; E486-R489 IonicContact OE1-NH1 3.06Å; E486-R489 WeakPolarHBondContact OE2-CD 2.99Å; E486-R489 IonicContact OE2-CZ 2.71Å; E486-R489 IonicContact OE2-NE 3.3Å; E486-R489 IonicContact OE2-NH1 2.86Å; E486-R489 PolarHBondContact OE2-NH1 3.42Å; E486-E490 WeakPolarHBondContact O-CG 3.24Å; E486-E490 PolarHBondContact O-N 2.9Å
487	M	75.7	Confident	72.9	Confident	31 Å²	31	60.6 Å²	60.6	15%	0.153	31%	0.306	C	S	.	.	H	α-helix	trans	-58.7	-39	169.9	-65.5	-149.5	83.4	0	0	112.1	H483 R489 E490 I491 Q740 V743	H483-M487 PolarHBondContact O-N 3.06Å; M487-R489 VanDerWaalsContact C-N 3.33Å; M487-R489 PolarHBondContact O-N 3.37Å; M487-E490 PolarHBondContact O-N 3.39Å; M487-I491 WeakPolarHBondContact O-CB 3.39Å; M487-I491 WeakPolarHBondContact O-CD1 3.22Å; M487-I491 WeakPolarHBondContact O-CG1 3.47Å; M487-I491 PolarHBondContact O-N 3.1Å; M487-I491 VanDerWaalsContact O-N 3.11Å; M487-Q740 HydrophobicContact CE-CG 4.08Å; M487-Q740 HydrophobicContact SD-CG 4.01Å; M487-V743 HydrophobicContact CB-CG1 4.43Å; M487-V743 HydrophobicContact CB-CG2 4.37Å
488	A	73	Confident	73.4	Confident	4 Å²	4	58.5 Å²	58.5	3%	0.033	29%	0.292	C	S	.	.	H	α-helix	trans	-64.7	-36.7	175	0	0	0	0	0	112.2	R484 I485 E486 E492 V743	R484-A488 WeakPolarHBondContact O-CB 3.37Å; R484-A488 PolarHBondContact O-N 3.26Å; I485-A488 WeakPolarHBondContact O-CB 3.37Å; I485-A488 PolarHBondContact O-N 3.37Å; E486-A488 VanDerWaalsContact C-N 3.27Å; E486-A488 PolarHBondContact O-N 3.46Å; A488-E492 WeakPolarHBondContact O-CB 3.48Å; A488-E492 WeakPolarHBondContact O-CG 3.48Å; A488-E492 PolarHBondContact O-N 2.9Å; A488-V743 HydrophobicContact CB-CG1 3.99Å
489	R	73.5	Confident	74.2	Confident	80 Å²	80	55.2 Å²	55.2	30%	0.302	28%	0.277	S	S	.	.	H	α-helix	trans	-66.9	-44.7	175.1	-77.1	163.7	166.9	-177.5	-4.9	112.8	Y445 I485 E486 M487 I491 E492 F493	Y445-R489 HydrophobicContact CD1-CG 3.96Å; Y445-R489 HydrophobicContact CE1-CG 3.34Å; I485-R489 WeakPolarHBondContact O-CG 3.38Å; I485-R489 PolarHBondContact O-N 3.14Å; E486-R489 WeakPolarHBondContact O-CB 3.4Å; E486-R489 PolarHBondContact O-N 2.93Å; E486-R489 IonicContact OE1-NH1 3.06Å; E486-R489 WeakPolarHBondContact OE2-CD 2.99Å; E486-R489 IonicContact OE2-CZ 2.71Å; E486-R489 IonicContact OE2-NE 3.3Å; E486-R489 IonicContact OE2-NH1 2.86Å; E486-R489 PolarHBondContact OE2-NH1 3.42Å; M487-R489 VanDerWaalsContact C-N 3.33Å; M487-R489 PolarHBondContact O-N 3.37Å; R489-I491 VanDerWaalsContact C-N 3.3Å; R489-I491 PolarHBondContact O-N 3.44Å; R489-E492 PolarHBondContact O-N 3.09Å; R489-F493 VanDerWaalsContact O-CB 3.26Å; R489-F493 WeakPolarHBondContact O-CB 3.32Å; R489-F493 PolarHBondContact O-N 3Å
490	E	76	Confident	74.7	Confident	92 Å²	92	52 Å²	52	43%	0.43	25%	0.25	S	C	.	.	H	α-helix	trans	-58.3	-44.9	175.7	-69.3	175.6	156.2	0	0	110.7	E486 M487 F493 I494	E486-E490 WeakPolarHBondContact O-CG 3.24Å; E486-E490 PolarHBondContact O-N 2.9Å; M487-E490 PolarHBondContact O-N 3.39Å; E490-F493 PolarHBondContact O-N 2.89Å; E490-I494 WeakPolarHBondContact O-CD1 3.39Å; E490-I494 WeakPolarHBondContact O-CG1 3.26Å; E490-I494 PolarHBondContact O-N 3.31Å
491	I	76.4	Confident	75.3	Confident	27 Å²	27	52.8 Å²	52.8	14%	0.138	26%	0.256	C	S	.	.	H	α-helix	trans	-69.1	-40.2	178.8	-65	166.4	0	0	0	112.1	M487 R489 F493 W502 L506 V743 L747	M487-I491 WeakPolarHBondContact O-CB 3.39Å; M487-I491 WeakPolarHBondContact O-CD1 3.22Å; M487-I491 WeakPolarHBondContact O-CG1 3.47Å; M487-I491 PolarHBondContact O-N 3.1Å; M487-I491 VanDerWaalsContact O-N 3.11Å; R489-I491 VanDerWaalsContact C-N 3.3Å; R489-I491 PolarHBondContact O-N 3.44Å; I491-F493 VanDerWaalsContact C-N 3.34Å; I491-W502 HydrophobicContact CG2-CZ2 4.35Å; I491-W502 PolarHBondContact O-NE1 3.14Å; I491-L506 HydrophobicContact CG2-CD2 3.34Å; I491-V743 HydrophobicContact CD1-CG1 3.94Å; I491-L747 HydrophobicContact CB-CD1 4.01Å; I491-L747 HydrophobicContact CD1-CD1 4.29Å; I491-L747 HydrophobicContact CG2-CD1 3.52Å
492	E	74.2	Confident	76	Confident	22 Å²	22	53.7 Å²	53.7	10%	0.103	26%	0.26	C	S	.	.	H	α-helix	trans	-64.5	-34.6	172	-80.8	-176.2	175	0	0	112.2	R444 Y445 A488 R489 N495 L747 Y751 R765	R444-E492 IonicContact NE-OE2 3.47Å; Y445-E492 WeakPolarHBondContact CE1-OE2 3.29Å; Y445-E492 PolarHBondContact OH-OE2 2.77Å; A488-E492 WeakPolarHBondContact O-CB 3.48Å; A488-E492 WeakPolarHBondContact O-CG 3.48Å; A488-E492 PolarHBondContact O-N 2.9Å; R489-E492 PolarHBondContact O-N 3.09Å; E492-N495 WeakPolarHBondContact O-CB 3.24Å; E492-N495 PolarHBondContact O-N 2.67Å; E492-L747 HydrophobicContact CG-CD2 4.18Å; E492-Y751 PolarHBondContact OE1-OH 3.23Å; E492-R765 IonicContact OE1-NH1 3.17Å; E492-R765 PolarHBondContact OE1-NH1 3.2Å; E492-R765 VanDerWaalsContact OE1-NH1 3.07Å
493	F	71.1	Confident	76.6	Confident	185 Å²	185	49.2 Å²	49.2	81%	0.811	24%	0.243	S	C	*	.	H	α-helix	trans	-72.6	-27.3	-179.2	-176.9	-96.9	0	0	0	113.1	R489 E490 I491 N495	R489-F493 VanDerWaalsContact O-CB 3.26Å; R489-F493 WeakPolarHBondContact O-CB 3.32Å; R489-F493 PolarHBondContact O-N 3Å; E490-F493 PolarHBondContact O-N 2.89Å; I491-F493 VanDerWaalsContact C-N 3.34Å; F493-N495 PolarHBondContact O-N 3.3Å
494	I	70.3	Confident	77	Confident	93 Å²	93	45.8 Å²	45.8	48%	0.477	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-4	174.7	-65.3	163.9	0	0	0	111.7	E490 G496	E490-I494 WeakPolarHBondContact O-CD1 3.39Å; E490-I494 WeakPolarHBondContact O-CG1 3.26Å; E490-I494 PolarHBondContact O-N 3.31Å; I494-G496 PolarHBondContact O-N 3.3Å; I494-G496 VanDerWaalsContact O-N 3.11Å
495	N	66.5	Low	77.4	Confident	60 Å²	60	47.8 Å²	47.8	32%	0.321	25%	0.245	S	C	.	.			trans	-62.3	113.8	177.1	-168.3	11.4	0	0	0	111.7	E492 F493 W502	E492-N495 WeakPolarHBondContact O-CB 3.24Å; E492-N495 PolarHBondContact O-N 2.67Å; F493-N495 PolarHBondContact O-N 3.3Å; N495-W502 VanDerWaalsContact CA-CD1 3.44Å; N495-W502 HydrophobicContact CB-CD2 4.03Å; N495-W502 HydrophobicContact CB-CG 4.1Å; N495-W502 HydrophobicContact CB-CZ2 4.27Å; N495-W502 WeakPolarHBondContact OD1-CB 3.15Å
496	G	67.3	Low	78	Confident	46 Å²	46	47.9 Å²	47.9	47%	0.474	25%	0.245	S	C	.	.			trans	-86.5	-166.8	-177.9	0	0	0	0	0	113.3	I494 D498	I494-G496 PolarHBondContact O-N 3.3Å; I494-G496 VanDerWaalsContact O-N 3.11Å; G496-D498 VanDerWaalsContact C-N 3.32Å
497	E	71.6	Confident	78.4	Confident	79 Å²	79	46.1 Å²	46.1	37%	0.369	24%	0.235	S	C	.	.	S	Bend	trans	-74.2	-24	175.9	-69	167.1	172.8	0	0	113.1	R265 R266 H775	R265-E497 IonicContact NH2-OE2 2.74Å; R266-E497 IonicContact CZ-OE1 2.94Å; R266-E497 IonicContact NE-OE1 2.69Å; R266-E497 PolarHBondContact NE-OE1 2.67Å; R266-E497 IonicContact NE-OE2 3.77Å; R266-E497 PolarHBondContact NE-OE2 3.03Å; R266-E497 IonicContact NH2-OE1 3.48Å; R266-E497 PolarHBondContact NH2-OE1 3.3Å; E497-H775 PolarHBondContact O-CE1 3.01Å
498	D	82	Confident	79	Confident	18 Å²	18	50.1 Å²	50.1	10%	0.096	26%	0.257	C	S	.	.			trans	-96.6	90.2	173.3	-170.3	-7.2	0	0	0	110.6	Y226 G496 C500 L501 W502 H775	Y226-D498 WeakPolarHBondContact CE1-OD2 3.48Å; Y226-D498 PolarHBondContact OH-OD2 3.35Å; G496-D498 VanDerWaalsContact C-N 3.32Å; D498-C500 VanDerWaalsContact C-N 3.27Å; D498-C500 PolarHBondContact O-N 3.02Å; D498-C500 PolarHBondContact OD1-N 3.41Å; D498-C500 VanDerWaalsContact OD1-N 3.16Å; D498-L501 HydrophobicContact CB-CB 4.09Å; D498-L501 HydrophobicContact CB-CD1 4.27Å; D498-L501 HydrophobicContact CB-CG 4.43Å; D498-L501 PolarHBondContact O-N 2.74Å; D498-L501 PolarHBondContact OD1-N 3.28Å; D498-L501 VanDerWaalsContact OD2-CD1 3.24Å; D498-L501 WeakPolarHBondContact OD2-CD1 3.45Å; D498-L501 WeakPolarHBondContact OD2-CG 3.24Å; D498-W502 PolarHBondContact O-N 3.26Å; D498-W502 VanDerWaalsContact O-N 3.1Å; D498-H775 HydrophobicContact CB-CB 4.46Å; D498-H775 WeakPolarHBondContact CB-ND1 3.4Å; D498-H775 IonicContact OD1-CE1 2.74Å; D498-H775 IonicContact OD1-ND1 3.78Å; D498-H775 PolarHBondContact OD1-ND1 2.94Å; D498-H775 VanDerWaalsContact OD1-ND1 3.17Å; D498-H775 IonicContact OD2-CG 3.53Å; D498-H775 IonicContact OD2-ND1 3.37Å; D498-H775 PolarHBondContact OD2-ND1 3.28Å
499	F	84.4	Confident	79.7	Confident	3 Å²	3	52.5 Å²	52.5	1%	0.013	27%	0.265	C	S	.	.	H	α-helix	trans	-55.5	-39.9	177.9	173	-101.3	0	0	0	112.8	W502 L503 Y751 V766 Q770 F771	F499-W502 AromaticContact CD2-CE3 3.99Å; F499-W502 HydrophobicContact CD2-CE3 3.99Å; F499-W502 HydrophobicContact CD2-CZ3 4.32Å; F499-W502 AromaticContact CE2-CE3 3.68Å; F499-W502 HydrophobicContact CE2-CE3 3.68Å; F499-W502 AromaticContact CE2-CZ3 3.64Å; F499-W502 HydrophobicContact CE2-CZ3 3.64Å; F499-W502 HydrophobicContact CZ-CZ3 4.48Å; F499-W502 PolarHBondContact O-N 3.2Å; F499-L503 HydrophobicContact CE1-CB 4.37Å; F499-L503 HydrophobicContact CE1-CD2 3.97Å; F499-L503 HydrophobicContact CZ-CB 4.23Å; F499-L503 HydrophobicContact CZ-CD1 4.07Å; F499-L503 HydrophobicContact CZ-CD2 4.06Å; F499-L503 HydrophobicContact CZ-CG 4.36Å; F499-L503 WeakPolarHBondContact O-CB 3.24Å; F499-L503 PolarHBondContact O-N 2.94Å; F499-Y751 HydrophobicContact CE2-CD1 4.17Å; F499-Y751 WeakPolarHBondContact CZ-O 3.44Å; F499-V766 HydrophobicContact CD1-CG1 4.18Å; F499-V766 HydrophobicContact CD2-CG2 4.14Å; F499-V766 HydrophobicContact CE1-CB 4.45Å; F499-V766 HydrophobicContact CE1-CG1 3.77Å; F499-V766 HydrophobicContact CE1-CG2 4.07Å; F499-V766 HydrophobicContact CE2-CG2 3.48Å; F499-V766 VanDerWaalsContact CE2-CG2 3.48Å; F499-V766 HydrophobicContact CZ-CB 4.23Å; F499-V766 HydrophobicContact CZ-CG1 4.04Å; F499-V766 HydrophobicContact CZ-CG2 3.47Å; F499-V766 VanDerWaalsContact CZ-CG2 3.47Å; F499-Q770 HydrophobicContact CB-CG 3.85Å; F499-Q770 HydrophobicContact CD1-CG 4.35Å; F499-Q770 HydrophobicContact CG-CG 4.18Å; F499-F771 HydrophobicContact CE1-CB 4.24Å; F499-F771 HydrophobicContact CE1-CD2 4.12Å
500	C	83.8	Confident	80.6	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.007	27%	0.268	C	S	.	.	H	α-helix	trans	-74.2	-32.5	-175.6	-68.5	0	0	0	0	112	Y226 D498 N504 F771	Y226-C500 HydrophobicContact CD1-CB 3.8Å; Y226-C500 HydrophobicContact CE1-CB 3.87Å; D498-C500 VanDerWaalsContact C-N 3.27Å; D498-C500 PolarHBondContact O-N 3.02Å; D498-C500 PolarHBondContact OD1-N 3.41Å; D498-C500 VanDerWaalsContact OD1-N 3.16Å; C500-N504 WeakPolarHBondContact O-CB 3.4Å; C500-N504 VanDerWaalsContact O-CG 3.27Å; C500-N504 PolarHBondContact O-N 3.28Å; C500-N504 PolarHBondContact O-ND2 3.32Å; C500-N504 VanDerWaalsContact O-ND2 3.13Å; C500-F771 PolarHBondContact SG-O 2.88Å
501	L	82.5	Confident	81.2	Confident	71 Å²	71	51.9 Å²	51.9	37%	0.372	27%	0.266	S	S	.	.	H	α-helix	trans	-66	-42.5	168	-84.6	-178.5	0	0	0	112.4	K225 Y226 D498 L503 N504 S505	K225-L501 HydrophobicContact CG-CD2 3.83Å; K225-L501 HydrophobicContact CG-CG 4.42Å; Y226-L501 HydrophobicContact CE1-CD2 4.47Å; Y226-L501 HydrophobicContact CE1-CG 4.02Å; D498-L501 HydrophobicContact CB-CB 4.09Å; D498-L501 HydrophobicContact CB-CD1 4.27Å; D498-L501 HydrophobicContact CB-CG 4.43Å; D498-L501 PolarHBondContact O-N 2.74Å; D498-L501 PolarHBondContact OD1-N 3.28Å; D498-L501 VanDerWaalsContact OD2-CD1 3.24Å; D498-L501 WeakPolarHBondContact OD2-CD1 3.45Å; D498-L501 WeakPolarHBondContact OD2-CG 3.24Å; L501-L503 VanDerWaalsContact C-N 3.35Å; L501-L503 PolarHBondContact O-N 3.44Å; L501-N504 PolarHBondContact O-N 2.73Å; L501-S505 PolarHBondContact O-N 3.35Å
502	W	87.7	Confident	81.9	Confident	18 Å²	18	57 Å²	57	7%	0.068	28%	0.284	C	S	.	.	H	α-helix	trans	-61	-44.1	174.8	174.8	83	0	0	0	111.4	I491 N495 D498 F499 N504 S505 L506 Y751	I491-W502 HydrophobicContact CG2-CZ2 4.35Å; I491-W502 PolarHBondContact O-NE1 3.14Å; N495-W502 VanDerWaalsContact CA-CD1 3.44Å; N495-W502 HydrophobicContact CB-CD2 4.03Å; N495-W502 HydrophobicContact CB-CG 4.1Å; N495-W502 HydrophobicContact CB-CZ2 4.27Å; N495-W502 WeakPolarHBondContact OD1-CB 3.15Å; D498-W502 PolarHBondContact O-N 3.26Å; D498-W502 VanDerWaalsContact O-N 3.1Å; F499-W502 AromaticContact CD2-CE3 3.99Å; F499-W502 HydrophobicContact CD2-CE3 3.99Å; F499-W502 HydrophobicContact CD2-CZ3 4.32Å; F499-W502 AromaticContact CE2-CE3 3.68Å; F499-W502 HydrophobicContact CE2-CE3 3.68Å; F499-W502 AromaticContact CE2-CZ3 3.64Å; F499-W502 HydrophobicContact CE2-CZ3 3.64Å; F499-W502 HydrophobicContact CZ-CZ3 4.48Å; F499-W502 PolarHBondContact O-N 3.2Å; W502-N504 PolarHBondContact O-N 3.39Å; W502-S505 VanDerWaalsContact O-CB 3.28Å; W502-S505 WeakPolarHBondContact O-CB 3.32Å; W502-S505 PolarHBondContact O-N 2.9Å; W502-S505 VanDerWaalsContact O-N 3.14Å; W502-L506 HydrophobicContact CD2-CD1 4.41Å; W502-L506 HydrophobicContact CE3-CD1 4.22Å; W502-L506 HydrophobicContact CH2-CD1 3.72Å; W502-L506 HydrophobicContact CZ2-CD1 3.91Å; W502-L506 HydrophobicContact CZ2-CD2 4.49Å; W502-L506 HydrophobicContact CZ3-CD1 3.85Å; W502-L506 PolarHBondContact O-N 3.43Å; W502-Y751 HydrophobicContact CH2-CD1 4.3Å; W502-Y751 AromaticContact CH2-CD2 3.85Å; W502-Y751 HydrophobicContact CH2-CD2 3.85Å; W502-Y751 HydrophobicContact CH2-CE2 4.21Å; W502-Y751 AromaticContact CH2-CG 3.93Å; W502-Y751 HydrophobicContact CH2-CG 3.93Å; W502-Y751 HydrophobicContact CZ3-CD1 4.13Å; W502-Y751 HydrophobicContact CZ3-CD2 4.25Å; W502-Y751 AromaticContact CZ3-CG 3.86Å; W502-Y751 HydrophobicContact CZ3-CG 3.86Å
503	L	85.5	Confident	82.6	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-63.2	-40.8	177.8	-166.6	68.9	0	0	0	112.5	F499 L501 S505 L506 R507 L748 D752 F771	F499-L503 HydrophobicContact CE1-CB 4.37Å; F499-L503 HydrophobicContact CE1-CD2 3.97Å; F499-L503 HydrophobicContact CZ-CB 4.23Å; F499-L503 HydrophobicContact CZ-CD1 4.07Å; F499-L503 HydrophobicContact CZ-CD2 4.06Å; F499-L503 HydrophobicContact CZ-CG 4.36Å; F499-L503 WeakPolarHBondContact O-CB 3.24Å; F499-L503 PolarHBondContact O-N 2.94Å; L501-L503 VanDerWaalsContact C-N 3.35Å; L501-L503 PolarHBondContact O-N 3.44Å; L503-S505 VanDerWaalsContact C-N 3.34Å; L503-L506 HydrophobicContact CD1-CD1 4.47Å; L503-L506 WeakPolarHBondContact O-CB 3.39Å; L503-L506 PolarHBondContact O-N 3.01Å; L503-R507 WeakPolarHBondContact O-CG 3.45Å; L503-R507 PolarHBondContact O-N 3.02Å; L503-R507 VanDerWaalsContact O-N 3.1Å; L503-L748 HydrophobicContact CD1-CD2 4.1Å; L503-D752 HydrophobicContact CD1-CB 3.98Å; L503-D752 HydrophobicContact CD2-CB 4.24Å; L503-D752 HydrophobicContact CG-CB 4.47Å; L503-F771 HydrophobicContact CD2-CD2 3.83Å; L503-F771 HydrophobicContact CD2-CE2 3.67Å
504	N	85.4	Confident	83.4	Confident	13 Å²	13	49.3 Å²	49.3	7%	0.07	26%	0.256	C	S	.	.	H	α-helix	trans	-64.7	-37.8	173.2	-72.2	-32.2	0	0	0	111.7	K225 C500 L501 W502 L506 R507 D508	K225-N504 PolarHBondContact O-ND2 3.4Å; C500-N504 WeakPolarHBondContact O-CB 3.4Å; C500-N504 VanDerWaalsContact O-CG 3.27Å; C500-N504 PolarHBondContact O-N 3.28Å; C500-N504 PolarHBondContact O-ND2 3.32Å; C500-N504 VanDerWaalsContact O-ND2 3.13Å; L501-N504 PolarHBondContact O-N 2.73Å; W502-N504 PolarHBondContact O-N 3.39Å; N504-L506 VanDerWaalsContact C-N 3.31Å; N504-L506 PolarHBondContact O-N 2.98Å; N504-R507 WeakPolarHBondContact O-CB 3.38Å; N504-R507 PolarHBondContact O-N 3.39Å; N504-R507 VanDerWaalsContact O-N 3.14Å; N504-D508 PolarHBondContact O-N 3.11Å
505	S	86.8	Confident	84.3	Confident	64 Å²	64	51.3 Å²	51.3	45%	0.448	26%	0.261	S	S	.	.	H	α-helix	trans	-59	-39.3	172.5	-172.2	0	0	0	0	112.6	L501 W502 L503 R509	L501-S505 PolarHBondContact O-N 3.35Å; W502-S505 VanDerWaalsContact O-CB 3.28Å; W502-S505 WeakPolarHBondContact O-CB 3.32Å; W502-S505 PolarHBondContact O-N 2.9Å; W502-S505 VanDerWaalsContact O-N 3.14Å; L503-S505 VanDerWaalsContact C-N 3.34Å; S505-R509 WeakPolarHBondContact O-CB 3.35Å; S505-R509 PolarHBondContact O-N 2.99Å
506	L	86.7	Confident	85.3	Confident	9 Å²	9	52 Å²	52	5%	0.047	26%	0.261	C	S	.	.	H	α-helix	trans	-63.5	-45.7	172.8	-58.6	-172	0	0	0	112	I491 W502 L503 N504 D508 R509 R510 I744 L747 L748	I491-L506 HydrophobicContact CG2-CD2 3.34Å; W502-L506 HydrophobicContact CD2-CD1 4.41Å; W502-L506 HydrophobicContact CE3-CD1 4.22Å; W502-L506 HydrophobicContact CH2-CD1 3.72Å; W502-L506 HydrophobicContact CZ2-CD1 3.91Å; W502-L506 HydrophobicContact CZ2-CD2 4.49Å; W502-L506 HydrophobicContact CZ3-CD1 3.85Å; W502-L506 PolarHBondContact O-N 3.43Å; L503-L506 HydrophobicContact CD1-CD1 4.47Å; L503-L506 WeakPolarHBondContact O-CB 3.39Å; L503-L506 PolarHBondContact O-N 3.01Å; N504-L506 VanDerWaalsContact C-N 3.31Å; N504-L506 PolarHBondContact O-N 2.98Å; L506-D508 PolarHBondContact O-N 3.04Å; L506-R509 PolarHBondContact O-N 3.06Å; L506-R510 WeakPolarHBondContact O-CB 3.26Å; L506-R510 PolarHBondContact O-N 2.79Å; L506-I744 HydrophobicContact CB-CG2 4.42Å; L506-I744 WeakPolarHBondContact O-CG2 3.34Å; L506-L747 HydrophobicContact CD1-CB 4.08Å; L506-L748 HydrophobicContact CB-CD2 3.99Å
507	R	87	Confident	86.2	Confident	52 Å²	52	53.9 Å²	53.9	20%	0.196	25%	0.254	C	S	.	.	H	α-helix	trans	-58.5	-45.4	177.4	-69.2	171.1	167	-157.9	-3.2	111.2	L503 N504 R510 V511 L748 D752 E754	L503-R507 WeakPolarHBondContact O-CG 3.45Å; L503-R507 PolarHBondContact O-N 3.02Å; L503-R507 VanDerWaalsContact O-N 3.1Å; N504-R507 WeakPolarHBondContact O-CB 3.38Å; N504-R507 PolarHBondContact O-N 3.39Å; N504-R507 VanDerWaalsContact O-N 3.14Å; R507-R510 WeakPolarHBondContact O-CB 3.33Å; R507-R510 PolarHBondContact O-N 3.49Å; R507-V511 WeakPolarHBondContact O-CG2 3.37Å; R507-V511 PolarHBondContact O-N 2.73Å; R507-V511 VanDerWaalsContact O-N 3.14Å; R507-L748 HydrophobicContact CG-CD2 3.96Å; R507-D752 IonicContact CZ-OD1 2.69Å; R507-D752 IonicContact CZ-OD2 2.76Å; R507-D752 IonicContact NE-OD2 3.81Å; R507-D752 PolarHBondContact NE-OD2 3.37Å; R507-D752 IonicContact NH2-OD1 3.73Å; R507-D752 PolarHBondContact NH2-OD1 2.91Å; R507-D752 IonicContact NH2-OD2 3.98Å; R507-D752 PolarHBondContact NH2-OD2 3.45Å; R507-E754 IonicContact CZ-OE2 3.47Å; R507-E754 IonicContact NH1-OE2 3.18Å; R507-E754 PolarHBondContact NH1-OE2 3.19Å; R507-E754 IonicContact NH2-OE2 3.38Å; R507-E754 PolarHBondContact NH2-OE2 3.02Å
508	D	87.2	Confident	86.7	Confident	116 Å²	116	53 Å²	53	62%	0.62	26%	0.26	S	S	*	.	H	α-helix	trans	-68.5	-42.9	178.1	-76.6	-27.3	0	0	0	112.6	N504 L506 R510 V511 Y512	N504-D508 PolarHBondContact O-N 3.11Å; L506-D508 PolarHBondContact O-N 3.04Å; D508-R510 VanDerWaalsContact C-N 3.28Å; D508-R510 PolarHBondContact O-N 3.44Å; D508-V511 PolarHBondContact O-N 2.83Å; D508-Y512 WeakPolarHBondContact O-CB 3.11Å; D508-Y512 PolarHBondContact O-N 3.35Å
509	R	88.6	Confident	86.8	Confident	54 Å²	54	58.5 Å²	58.5	20%	0.204	29%	0.286	C	S	.	.	H	α-helix	trans	-60.6	-39.5	175.4	-174.8	67.2	-172	-164.4	2.2	111.2	S505 L506 Y512 V513 I744	S505-R509 WeakPolarHBondContact O-CB 3.35Å; S505-R509 PolarHBondContact O-N 2.99Å; L506-R509 PolarHBondContact O-N 3.06Å; R509-Y512 PolarHBondContact O-N 2.95Å; R509-V513 HydrophobicContact CG-CG2 4.49Å; R509-V513 WeakPolarHBondContact O-CG2 3.19Å; R509-V513 PolarHBondContact O-N 3.06Å; R509-I744 HydrophobicContact CB-CD1 4.26Å; R509-I744 HydrophobicContact CG-CD1 3.69Å
510	R	91.2	Very high	86.8	Confident	95 Å²	95	60.8 Å²	60.8	36%	0.358	29%	0.294	S	S	.	.	H	α-helix	trans	-56.9	-50	173.2	-166.9	-163.1	-172.4	-96.1	-12.5	111.7	L506 R507 D508 S514 L741 I744 D745	L506-R510 WeakPolarHBondContact O-CB 3.26Å; L506-R510 PolarHBondContact O-N 2.79Å; R507-R510 WeakPolarHBondContact O-CB 3.33Å; R507-R510 PolarHBondContact O-N 3.49Å; D508-R510 VanDerWaalsContact C-N 3.28Å; D508-R510 PolarHBondContact O-N 3.44Å; R510-S514 VanDerWaalsContact O-CB 3.27Å; R510-S514 WeakPolarHBondContact O-CB 3.37Å; R510-S514 PolarHBondContact O-N 3.05Å; R510-S514 PolarHBondContact O-OG 3.21Å; R510-L741 HydrophobicContact CG-CD2 4.23Å; R510-I744 HydrophobicContact CB-CG2 3.74Å; R510-I744 HydrophobicContact CG-CG2 4.14Å; R510-D745 IonicContact CZ-OD1 2.75Å; R510-D745 IonicContact NE-OD1 2.78Å; R510-D745 PolarHBondContact NE-OD1 3.15Å; R510-D745 IonicContact NH2-OD1 3.19Å; R510-D745 PolarHBondContact NH2-OD1 2.74Å; R510-D745 IonicContact NH2-OD2 3.41Å; R510-D745 PolarHBondContact NH2-OD2 2.86Å
511	V	89.2	Confident	86.5	Confident	64 Å²	64	64.9 Å²	64.9	39%	0.388	31%	0.313	S	S	.	.	H	α-helix	trans	-65.2	-40.2	-179.7	171.5	0	0	0	0	110.9	R507 D508 S514 K515	R507-V511 WeakPolarHBondContact O-CG2 3.37Å; R507-V511 PolarHBondContact O-N 2.73Å; R507-V511 VanDerWaalsContact O-N 3.14Å; D508-V511 PolarHBondContact O-N 2.83Å; V511-S514 PolarHBondContact O-N 3.5Å; V511-K515 HydrophobicContact CG1-CD 3.99Å; V511-K515 HydrophobicContact CG1-CG 4.47Å; V511-K515 WeakPolarHBondContact O-CB 3.46Å; V511-K515 VanDerWaalsContact O-CG 3.31Å; V511-K515 WeakPolarHBondContact O-CG 3.26Å; V511-K515 PolarHBondContact O-N 3.46Å
512	Y	91.3	Very high	86.2	Confident	133 Å²	133	65.1 Å²	65.1	52%	0.522	32%	0.32	S	S	.	.	H	α-helix	trans	-60.7	-53.6	175.9	176.7	-93.3	0	0	0	112.2	D508 R509 S514 K515 K516	D508-Y512 WeakPolarHBondContact O-CB 3.11Å; D508-Y512 PolarHBondContact O-N 3.35Å; R509-Y512 PolarHBondContact O-N 2.95Å; Y512-S514 VanDerWaalsContact C-N 3.31Å; Y512-S514 PolarHBondContact O-N 3.3Å; Y512-K515 PolarHBondContact O-N 3.13Å; Y512-K516 PolarHBondContact O-N 3.49Å
513	V	89	Confident	85.7	Confident	4 Å²	4	71.9 Å²	71.9	2%	0.024	35%	0.346	C	S	.	.	H	α-helix	trans	-64.2	-37.8	179.8	-179.8	0	0	0	0	110.9	R509 K515 K516 R517 E737 Q740 L741	R509-V513 HydrophobicContact CG-CG2 4.49Å; R509-V513 WeakPolarHBondContact O-CG2 3.19Å; R509-V513 PolarHBondContact O-N 3.06Å; V513-K515 PolarHBondContact O-N 3.38Å; V513-K516 PolarHBondContact O-N 3.31Å; V513-R517 WeakPolarHBondContact O-CB 3.26Å; V513-R517 PolarHBondContact O-N 2.97Å; V513-E737 HydrophobicContact CG1-CB 4.22Å; V513-E737 HydrophobicContact CG1-CG 4.35Å; V513-Q740 HydrophobicContact CG1-CB 4.46Å; V513-L741 HydrophobicContact CB-CD2 4.08Å; V513-L741 HydrophobicContact CB-CG 4.32Å; V513-L741 HydrophobicContact CG1-CD1 4.2Å; V513-L741 HydrophobicContact CG1-CD2 4.1Å; V513-L741 HydrophobicContact CG1-CG 3.77Å
514	S	87.7	Confident	85.3	Confident	43 Å²	43	74.5 Å²	74.5	30%	0.301	36%	0.362	S	S	.	.	H	α-helix	trans	-60.6	-44.8	174	-59.7	0	0	0	0	112.3	R510 V511 Y512 A518 L741	R510-S514 VanDerWaalsContact O-CB 3.27Å; R510-S514 WeakPolarHBondContact O-CB 3.37Å; R510-S514 PolarHBondContact O-N 3.05Å; R510-S514 PolarHBondContact O-OG 3.21Å; V511-S514 PolarHBondContact O-N 3.5Å; Y512-S514 VanDerWaalsContact C-N 3.31Å; Y512-S514 PolarHBondContact O-N 3.3Å; S514-A518 WeakPolarHBondContact O-CB 3.36Å; S514-A518 PolarHBondContact O-N 3.32Å; S514-L741 WeakPolarHBondContact OG-CD2 3.45Å
515	K	89	Confident	84.7	Confident	134 Å²	134	77.3 Å²	77.3	58%	0.583	38%	0.377	S	S	*	.	H	α-helix	trans	-64.5	-44.6	176	-76.5	172.5	178.7	174.5	0	111.7	V511 Y512 V513 R517 A518 Q519	V511-K515 HydrophobicContact CG1-CD 3.99Å; V511-K515 HydrophobicContact CG1-CG 4.47Å; V511-K515 WeakPolarHBondContact O-CB 3.46Å; V511-K515 VanDerWaalsContact O-CG 3.31Å; V511-K515 WeakPolarHBondContact O-CG 3.26Å; V511-K515 PolarHBondContact O-N 3.46Å; Y512-K515 PolarHBondContact O-N 3.13Å; V513-K515 PolarHBondContact O-N 3.38Å; K515-R517 PolarHBondContact O-N 2.87Å; K515-A518 PolarHBondContact O-N 3.01Å; K515-Q519 WeakPolarHBondContact O-CG 3.3Å; K515-Q519 PolarHBondContact O-N 3.11Å
516	K	87.5	Confident	84.1	Confident	74 Å²	74	77.6 Å²	77.6	32%	0.322	37%	0.373	S	S	.	.	H	α-helix	trans	-57.9	-49.7	176.6	-169.7	-169.6	169	-161.4	0	110.7	Y512 V513 A518 Q519 R520 E733 E737	Y512-K516 PolarHBondContact O-N 3.49Å; V513-K516 PolarHBondContact O-N 3.31Å; K516-A518 PolarHBondContact O-N 2.93Å; K516-Q519 PolarHBondContact O-N 2.75Å; K516-R520 WeakPolarHBondContact O-CB 3.48Å; K516-R520 PolarHBondContact O-N 2.8Å; K516-E733 IonicContact NZ-OE1 3.11Å; K516-E733 PolarHBondContact NZ-OE1 3.07Å; K516-E737 WeakPolarHBondContact CD-OE1 3.1Å; K516-E737 WeakPolarHBondContact CE-OE1 3.17Å; K516-E737 WeakPolarHBondContact CG-OE1 3.21Å; K516-E737 IonicContact NZ-OE1 2.93Å; K516-E737 PolarHBondContact NZ-OE1 2.73Å
517	R	85.7	Confident	83.3	Confident	87 Å²	87	78.2 Å²	78.2	33%	0.328	38%	0.38	S	S	.	.	H	α-helix	trans	-61.1	-41.9	177.9	-175	176.7	171.7	-165.6	-3.2	112.7	V513 K515 R520 Q521 E737	V513-R517 WeakPolarHBondContact O-CB 3.26Å; V513-R517 PolarHBondContact O-N 2.97Å; K515-R517 PolarHBondContact O-N 2.87Å; R517-R520 PolarHBondContact O-N 3.16Å; R517-Q521 WeakPolarHBondContact O-CB 3.38Å; R517-Q521 PolarHBondContact O-N 3.3Å; R517-E737 WeakPolarHBondContact CA-OE2 3.38Å; R517-E737 HydrophobicContact CB-CB 4.46Å
518	A	83.3	Confident	82.6	Confident	61 Å²	61	79.6 Å²	79.6	50%	0.504	39%	0.394	S	S	.	.	H	α-helix	trans	-65.6	-40.9	177.3	0	0	0	0	0	112.6	S514 K515 K516 Q521 S522	S514-A518 WeakPolarHBondContact O-CB 3.36Å; S514-A518 PolarHBondContact O-N 3.32Å; K515-A518 PolarHBondContact O-N 3.01Å; K516-A518 PolarHBondContact O-N 2.93Å; A518-Q521 PolarHBondContact O-N 2.85Å; A518-S522 WeakPolarHBondContact O-CB 3.28Å; A518-S522 PolarHBondContact O-N 2.94Å
519	Q	83.7	Confident	81.8	Confident	133 Å²	133	81.9 Å²	81.9	62%	0.621	40%	0.401	S	S	*	.	H	α-helix	trans	-63.1	-41.8	172.4	-71.7	173.8	-7.4	0	0	111.6	K515 K516 S522 R523	K515-Q519 WeakPolarHBondContact O-CG 3.3Å; K515-Q519 PolarHBondContact O-N 3.11Å; K516-Q519 PolarHBondContact O-N 2.75Å; Q519-S522 PolarHBondContact O-N 3.43Å; Q519-R523 WeakPolarHBondContact O-CG 3.32Å; Q519-R523 PolarHBondContact O-N 2.92Å; Q519-R523 VanDerWaalsContact O-N 3.12Å
520	R	84.1	Confident	80.9	Confident	50 Å²	50	82.8 Å²	82.8	19%	0.189	41%	0.409	C	S	.	.	H	α-helix	trans	-64	-44.5	177.3	-156.1	177.7	70.2	89.8	29.2	111.4	K516 R517 R523 V524 D732 S734 E737	K516-R520 WeakPolarHBondContact O-CB 3.48Å; K516-R520 PolarHBondContact O-N 2.8Å; R517-R520 PolarHBondContact O-N 3.16Å; R520-R523 PolarHBondContact O-N 3.4Å; R520-V524 WeakPolarHBondContact O-CG2 3.31Å; R520-V524 PolarHBondContact O-N 2.94Å; R520-V524 VanDerWaalsContact O-N 3.12Å; R520-D732 IonicContact NH1-OD1 3.61Å; R520-D732 PolarHBondContact NH1-OD1 3Å; R520-D732 VanDerWaalsContact NH1-OD1 3.11Å; R520-S734 VanDerWaalsContact CZ-CA 3.47Å; R520-S734 PolarHBondContact NH2-OG 3.48Å; R520-E737 IonicContact CZ-OE2 3.44Å; R520-E737 IonicContact NE-OE2 3.26Å; R520-E737 PolarHBondContact NE-OE2 2.97Å
521	Q	78	Confident	78.9	Confident	88 Å²	88	80.6 Å²	80.6	41%	0.411	42%	0.415	S	S	.	.	H	α-helix	trans	-60.4	-48.3	174.6	-170.6	62.7	50.8	0	0	111.5	R517 A518 R523 V524 D525	R517-Q521 WeakPolarHBondContact O-CB 3.38Å; R517-Q521 PolarHBondContact O-N 3.3Å; A518-Q521 PolarHBondContact O-N 2.85Å; Q521-R523 PolarHBondContact O-N 3.43Å; Q521-R523 VanDerWaalsContact O-N 3.17Å; Q521-V524 CarbonylContact O-C 3.57Å; Q521-V524 WeakPolarHBondContact O-CA 3.28Å; Q521-V524 WeakPolarHBondContact O-CB 3.31Å; Q521-V524 PolarHBondContact O-N 3.24Å; Q521-D525 PolarHBondContact NE2-OD1 2.92Å; Q521-D525 PolarHBondContact O-N 3.4Å
522	S	76.7	Confident	77.3	Confident	75 Å²	75	83.5 Å²	83.5	52%	0.524	43%	0.428	S	S	.	.	H	α-helix	trans	-58	-32.7	177.8	179.4	0	0	0	0	113.2	A518 Q519 L526	A518-S522 WeakPolarHBondContact O-CB 3.28Å; A518-S522 PolarHBondContact O-N 2.94Å; Q519-S522 PolarHBondContact O-N 3.43Å; S522-L526 VanDerWaalsContact O-CB 3.25Å; S522-L526 WeakPolarHBondContact O-CB 3.31Å; S522-L526 PolarHBondContact O-N 2.9Å
523	R	77	Confident	75.1	Confident	161 Å²	161	82.6 Å²	82.6	61%	0.608	43%	0.428	S	S	*	.	H	α-helix	trans	-70.8	-37.3	172.9	-68.6	173.8	74.9	178.7	6	112.7	Q519 R520 Q521 A527	Q519-R523 WeakPolarHBondContact O-CG 3.32Å; Q519-R523 PolarHBondContact O-N 2.92Å; Q519-R523 VanDerWaalsContact O-N 3.12Å; R520-R523 PolarHBondContact O-N 3.4Å; Q521-R523 PolarHBondContact O-N 3.43Å; Q521-R523 VanDerWaalsContact O-N 3.17Å; R523-A527 WeakPolarHBondContact O-CB 3.2Å; R523-A527 PolarHBondContact O-N 3.48Å
524	V	75.8	Confident	72.5	Confident	55 Å²	55	87.5 Å²	87.5	33%	0.333	46%	0.459	S	S	.	.	H	α-helix	trans	-68.9	-43.6	174.7	173.6	0	0	0	0	111.1	R520 Q521 L526 A527 T528	R520-V524 WeakPolarHBondContact O-CG2 3.31Å; R520-V524 PolarHBondContact O-N 2.94Å; R520-V524 VanDerWaalsContact O-N 3.12Å; Q521-V524 CarbonylContact O-C 3.57Å; Q521-V524 WeakPolarHBondContact O-CA 3.28Å; Q521-V524 WeakPolarHBondContact O-CB 3.31Å; Q521-V524 PolarHBondContact O-N 3.24Å; V524-L526 VanDerWaalsContact C-N 3.31Å; V524-L526 PolarHBondContact O-N 2.96Å; V524-A527 PolarHBondContact O-N 3.34Å; V524-T528 WeakPolarHBondContact O-CB 3.45Å; V524-T528 PolarHBondContact O-N 3.01Å; V524-T528 PolarHBondContact O-OG1 2.72Å
525	D	73.3	Confident	69.8	Low	71 Å²	71	92.5 Å²	92.5	38%	0.38	48%	0.482	S	S	.	.	H	α-helix	trans	-61.1	-42.9	176.6	-57.2	-23.8	0	0	0	110.5	Q521 T528 Q529	Q521-D525 PolarHBondContact NE2-OD1 2.92Å; Q521-D525 PolarHBondContact O-N 3.4Å; D525-T528 PolarHBondContact O-N 3.25Å; D525-Q529 WeakPolarHBondContact O-CG 3.42Å; D525-Q529 PolarHBondContact O-N 3.31Å
526	L	73.7	Confident	67	Low	70 Å²	70	91.8 Å²	91.8	37%	0.366	49%	0.485	S	S	.	.	H	α-helix	trans	-65	-43.7	175.3	-178	62.9	0	0	0	112.3	S522 V524 T528 Q529 I530	S522-L526 VanDerWaalsContact O-CB 3.25Å; S522-L526 WeakPolarHBondContact O-CB 3.31Å; S522-L526 PolarHBondContact O-N 2.9Å; V524-L526 VanDerWaalsContact C-N 3.31Å; V524-L526 PolarHBondContact O-N 2.96Å; L526-T528 VanDerWaalsContact C-N 3.29Å; L526-T528 PolarHBondContact O-N 2.93Å; L526-Q529 PolarHBondContact O-N 3.23Å; L526-I530 HydrophobicContact CD1-CD1 3.88Å; L526-I530 HydrophobicContact CD1-CG1 4.43Å; L526-I530 HydrophobicContact CG-CD1 3.84Å; L526-I530 WeakPolarHBondContact O-CD1 3.34Å; L526-I530 VanDerWaalsContact O-CG1 3.23Å; L526-I530 WeakPolarHBondContact O-CG1 3.33Å; L526-I530 PolarHBondContact O-N 3.15Å
527	A	70.6	Confident	64.2	Low	23 Å²	23	96.8 Å²	96.8	19%	0.19	51%	0.509	C	S	.	.	H	α-helix	trans	-62.4	-38	175.6	0	0	0	0	0	111.9	R523 V524 I530 G531 L532	R523-A527 WeakPolarHBondContact O-CB 3.2Å; R523-A527 PolarHBondContact O-N 3.48Å; V524-A527 PolarHBondContact O-N 3.34Å; A527-I530 PolarHBondContact O-N 3.01Å; A527-G531 PolarHBondContact O-N 3.28Å; A527-G531 VanDerWaalsContact O-N 3.12Å; A527-L532 HydrophobicContact CB-CB 4.45Å; A527-L532 PolarHBondContact O-N 3.26Å
528	T	73.1	Confident	61.4	Low	80 Å²	80	100.7 Å²	100.7	49%	0.491	53%	0.529	S	S	.	.	H	α-helix	trans	-65.8	-45.1	175.1	-54.2	0	0	0	0	111.3	V524 D525 L526 I530 G531	V524-T528 WeakPolarHBondContact O-CB 3.45Å; V524-T528 PolarHBondContact O-N 3.01Å; V524-T528 PolarHBondContact O-OG1 2.72Å; D525-T528 PolarHBondContact O-N 3.25Å; L526-T528 VanDerWaalsContact C-N 3.29Å; L526-T528 PolarHBondContact O-N 2.93Å; T528-I530 VanDerWaalsContact C-N 3.25Å; T528-I530 PolarHBondContact O-N 3.44Å; T528-G531 PolarHBondContact O-N 2.81Å
529	Q	69.9	Low	58.8	Low	165 Å²	165	105.6 Å²	105.6	77%	0.771	55%	0.546	S	S	*	.	H	α-helix	trans	-64	-26.8	174.9	-73.6	176.1	20.6	0	0	113.6	D525 L526 G531	D525-Q529 WeakPolarHBondContact O-CG 3.42Å; D525-Q529 PolarHBondContact O-N 3.31Å; L526-Q529 PolarHBondContact O-N 3.23Å; Q529-G531 VanDerWaalsContact C-N 3.34Å
530	I	70.1	Confident	56.1	Low	73 Å²	73	107.1 Å²	107.1	37%	0.374	56%	0.557	S	S	.	*	H	α-helix	trans	-85.5	-9.4	175.4	-64.1	165	0	0	0	111.6	L526 A527 T528 L532 I606	L526-I530 HydrophobicContact CD1-CD1 3.88Å; L526-I530 HydrophobicContact CD1-CG1 4.43Å; L526-I530 HydrophobicContact CG-CD1 3.84Å; L526-I530 WeakPolarHBondContact O-CD1 3.34Å; L526-I530 VanDerWaalsContact O-CG1 3.23Å; L526-I530 WeakPolarHBondContact O-CG1 3.33Å; L526-I530 PolarHBondContact O-N 3.15Å; A527-I530 PolarHBondContact O-N 3.01Å; T528-I530 VanDerWaalsContact C-N 3.25Å; T528-I530 PolarHBondContact O-N 3.44Å; I530-L532 HydrophobicContact CB-CD1 4.42Å; I530-L532 HydrophobicContact CG2-CD1 3.96Å; I530-L532 HydrophobicContact CG2-CG 4.03Å; I530-I606 HydrophobicContact CD1-CD1 3.59Å; I530-I606 HydrophobicContact CD1-CG1 3.89Å; I530-I606 HydrophobicContact CG1-CD1 4.19Å
531	G	48.6	Very low	53.5	Low	48 Å²	48	107.8 Å²	107.8	50%	0.495	58%	0.58	S	S	.	*	T	Hydrogen-bonded Turn	trans	81.7	18.8	178	0	0	0	0	0	114.7	A527 T528 Q529 H533	A527-G531 PolarHBondContact O-N 3.28Å; A527-G531 VanDerWaalsContact O-N 3.12Å; T528-G531 PolarHBondContact O-N 2.81Å; Q529-G531 VanDerWaalsContact C-N 3.34Å; G531-H533 PolarHBondContact O-N 2.97Å; G531-H533 VanDerWaalsContact O-N 3.14Å
532	L	56.1	Low	51.4	Low	125 Å²	125	108.7 Å²	108.7	65%	0.654	60%	0.596	S	S	*	*			trans	-78.6	14.2	-178.4	-69.8	167.9	0	0	0	114.3	A527 I530	A527-L532 HydrophobicContact CB-CB 4.45Å; A527-L532 PolarHBondContact O-N 3.26Å; I530-L532 HydrophobicContact CB-CD1 4.42Å; I530-L532 HydrophobicContact CG2-CD1 3.96Å; I530-L532 HydrophobicContact CG2-CG 4.03Å
533	H	43.7	Very low	49.2	Very low	114 Å²	114	112.6 Å²	112.6	53%	0.528	61%	0.611	S	S	.	*			trans	-120.5	60.4	177.3	-75.3	-66.6	0	0	0	111.3	G531	G531-H533 PolarHBondContact O-N 2.97Å; G531-H533 VanDerWaalsContact O-N 3.14Å
534	T	34.5	Very low	47.3	Very low	107 Å²	107	109.8 Å²	109.8	66%	0.656	61%	0.613	S	S	*	*			trans	-80.7	118.3	158.4	50.5	0	0	0	0	108.9	D536	T534-D536 PolarHBondContact O-N 3.37Å; T534-D536 VanDerWaalsContact O-N 3.17Å
535	N	32.5	Very low	45.2	Very low	149 Å²	149	114 Å²	114	80%	0.797	63%	0.634	S	S	*	*			trans	-76.1	97.9	166.5	-84.5	-9.6	0	0	0	108.2	Q537	N535-Q537 PolarHBondContact O-N 2.93Å
536	D	28.8	Very low	43.1	Very low	118 Å²	118	117 Å²	117	63%	0.631	65%	0.65	S	S	*	*			trans	-70.9	78.3	172.7	-72.5	-3.9	0	0	0	110.5	T534 F538	T534-D536 PolarHBondContact O-N 3.37Å; T534-D536 VanDerWaalsContact O-N 3.17Å; D536-F538 VanDerWaalsContact C-N 3.3Å; D536-F538 HydrophobicContact CB-CD2 3.99Å; D536-F538 HydrophobicContact CB-CE2 3.88Å; D536-F538 PolarHBondContact O-N 3.39Å; D536-F538 VanDerWaalsContact O-N 3.08Å
537	Q	29	Very low	40.9	Very low	180 Å²	180	123.9 Å²	123.9	84%	0.841	68%	0.677	S	S	*	*			trans	-72.9	90.9	157.5	-74.2	-168.6	-81.4	0	0	108.4	N535 D539	N535-Q537 PolarHBondContact O-N 2.93Å; Q537-D539 PolarHBondContact O-N 3.41Å
538	F	26	Very low	38.9	Very low	168 Å²	168	128.2 Å²	128.2	74%	0.737	70%	0.702	S	S	*	*			trans	-66.7	96.3	162.2	-81.2	-93.7	0	0	0	109	D536 I540	D536-F538 VanDerWaalsContact C-N 3.3Å; D536-F538 HydrophobicContact CB-CD2 3.99Å; D536-F538 HydrophobicContact CB-CE2 3.88Å; D536-F538 PolarHBondContact O-N 3.39Å; D536-F538 VanDerWaalsContact O-N 3.08Å; F538-I540 PolarHBondContact O-N 3.47Å
539	D	29.5	Very low	36.8	Very low	164 Å²	164	131.4 Å²	131.4	88%	0.877	71%	0.714	S	S	*	*			trans	-67.7	123.2	163.1	-101.3	-30.2	0	0	0	109.1	Q537	Q537-D539 PolarHBondContact O-N 3.41Å
540	I	26.8	Very low	34.7	Very low	166 Å²	166	131.5 Å²	131.5	85%	0.851	72%	0.715	S	S	*	*			trans	-103.3	110	-179.9	-63.1	175.1	0	0	0	108.1	F538	F538-I540 PolarHBondContact O-N 3.47Å
541	G	30.5	Very low	32.6	Very low	64 Å²	64	133 Å²	133	66%	0.66	73%	0.731	S	S	*	*			trans	-168.7	96.6	177.6	0	0	0	0	0	114.6
542	S	32.4	Very low	31.6	Very low	107 Å²	107	141.8 Å²	141.8	75%	0.748	75%	0.75	S	S	*	*			trans	33.7	135.1	141.6	60.5	0	0	0	0	120.6
543	D	31.8	Very low	30.4	Very low	157 Å²	157	140 Å²	140	84%	0.84	75%	0.747	S	S	*	*			cis	-165.5	-176.7	-4.9	-118.3	-7.6	0	0	0	108.8
544	P	36.7	Very low	29.7	Very low	101 Å²	101	140.9 Å²	140.9	66%	0.656	76%	0.761	S	S	*	*			trans	-103.6	175.1	-141.6	41	-41.5	0	0	0	118.8
545	D	30.8	Very low	29.5	Very low	144 Å²	144	144.6 Å²	144.6	77%	0.77	78%	0.776	S	S	*	*			trans	82.4	123.6	148.9	-73.9	-35.3	0	0	0	123.1
546	N	29.2	Very low	29.3	Very low	134 Å²	134	140.4 Å²	140.4	72%	0.717	77%	0.768	S	S	*	*			trans	-34.9	147	166.1	-61.9	-76.9	0	0	0	116.9
547	F	29.2	Very low	29.5	Very low	214 Å²	214	141.9 Å²	141.9	94%	0.939	78%	0.782	S	S	*	*				-160.3	153.7	110.4	-115	-76.9	0	0	0	112.8
548	T	27.9	Very low	29.4	Very low	114 Å²	114	142 Å²	142	70%	0.699	78%	0.782	S	S	*	*			trans	-104.1	146.3	-175.4	-43.1	0	0	0	0	111.4
549	I	28.3	Very low	29.9	Very low	148 Å²	148	139.7 Å²	139.7	76%	0.759	78%	0.784	S	S	*	*			trans	165.9	119.3	133	-85.8	158.2	0	0	0	114.8
550	Q	26.5	Very low	30	Very low	167 Å²	167	135.1 Å²	135.1	78%	0.78	78%	0.776	S	S	*	*			trans	43.3	112.5	141	-54.5	-178.7	-7.1	0	0	125
551	S	26.2	Very low	30.2	Very low	103 Å²	103	135.3 Å²	135.3	72%	0.72	78%	0.776	S	S	*	*				91.6	149.2	114.1	80.1	0	0	0	0	124.2
552	R	28.3	Very low	30.3	Very low	234 Å²	234	137.6 Å²	137.6	88%	0.883	78%	0.782	S	S	*	*			trans	69.9	157.4	157.8	-80.8	-173.8	170.5	173	-2.8	119.3
553	S	29	Very low	30.3	Very low	87 Å²	87	135.8 Å²	135.8	61%	0.608	77%	0.774	S	S	*	*			cis	175.1	153.7	-31.1	52.5	0	0	0	0	110.9
554	T	29.2	Very low	30.3	Very low	133 Å²	133	135.4 Å²	135.4	82%	0.816	77%	0.772	S	S	*	*			cis	-174.6	125.8	-24.3	35.9	0	0	0	0	108
555	L	32.1	Very low	30.1	Very low	185 Å²	185	137.2 Å²	137.2	97%	0.969	78%	0.776	S	S	*	*			trans	-158.3	140.3	175.3	-97.5	156.4	0	0	0	109.5
556	G	28.1	Very low	30.2	Very low	61 Å²	61	136 Å²	136	63%	0.629	78%	0.779	S	S	*	*			cis	179.2	175.1	-7.6	0	0	0	0	0	113.3
557	T	31.9	Very low	30.3	Very low	149 Å²	149	133 Å²	133	91%	0.914	78%	0.78	S	S	*	*			trans	84.4	109.5	165	-41.5	0	0	0	0	120.1
558	Q	27.9	Very low	30.3	Very low	182 Å²	182	134 Å²	134	85%	0.85	78%	0.777	S	S	*	*			trans	-118.6	179	150.5	-113.5	-166.7	24.2	0	0	107.1
559	P	36.5	Very low	30.5	Very low	120 Å²	120	136.4 Å²	136.4	78%	0.779	79%	0.786	S	S	*	*			cis	-142.6	-163.7	31.1	41.8	-19.8	0	0	0	115.5
560	G	30.3	Very low	30.5	Very low	68 Å²	68	132.9 Å²	132.9	70%	0.701	79%	0.786	S	S	*	*			trans	-164.8	-8.9	-176.2	0	0	0	0	0	125.9
561	I	31.3	Very low	30.5	Very low	169 Å²	169	133.3 Å²	133.3	87%	0.867	79%	0.792	S	S	*	*			trans	67.3	143.3	161.1	-65.7	164.8	0	0	0	120.8
562	S	32	Very low	30.7	Very low	112 Å²	112	133.9 Å²	133.9	78%	0.783	80%	0.796	S	S	*	*			trans	76.7	138.2	156.2	175.8	0	0	0	0	120.6
563	A	32.6	Very low	30.8	Very low	69 Å²	69	127.8 Å²	127.8	57%	0.57	79%	0.79	S	S	*	*			cis	-170.3	160.2	-17.8	0	0	0	0	0	112
564	N	32.1	Very low	30.8	Very low	149 Å²	149	130.1 Å²	130.1	80%	0.797	80%	0.795	S	S	*	*			trans	64	144.8	161.6	-56.4	-15.3	0	0	0	117.6
565	N	33	Very low	30.8	Very low	139 Å²	139	132.6 Å²	132.6	74%	0.743	80%	0.795	S	S	*	*			cis	-157.6	155.4	2	-132.1	-9.8	0	0	0	111.1
566	S	32.9	Very low	30.8	Very low	118 Å²	118	129.8 Å²	129.8	83%	0.825	79%	0.786	S	S	*	*			trans	42.9	122.9	159.2	57.8	0	0	0	0	121.4
567	G	30.3	Very low	30.9	Very low	72 Å²	72	134.3 Å²	134.3	74%	0.742	80%	0.796	S	S	*	*			cis	161.1	154.5	-8.8	0	0	0	0	0	114.9
568	R	30.9	Very low	31.2	Very low	234 Å²	234	132.8 Å²	132.8	88%	0.883	79%	0.789	S	S	*	*			trans	66.3	109.3	174.1	-67.9	179.6	172.3	173.7	-3.2	116
569	N	31.2	Very low	31.2	Very low	166 Å²	166	127.6 Å²	127.6	89%	0.888	78%	0.783	S	S	*	*				83.1	131.2	70.2	-70.7	18.6	0	0	0	112.2
570	G	29.1	Very low	31	Very low	73 Å²	73	129.7 Å²	129.7	75%	0.753	79%	0.787	S	S	*	*			cis	-173.2	-171.7	1	0	0	0	0	0	112.9
571	L	26.6	Very low	31	Very low	176 Å²	176	136.6 Å²	136.6	92%	0.921	79%	0.793	S	S	*	*			trans	-133	171.6	-177.8	-84.5	171.3	0	0	0	111.7
572	S	28.6	Very low	30.9	Very low	115 Å²	115	139.2 Å²	139.2	80%	0.804	79%	0.792	S	S	*	*			trans	81.6	151.2	176.8	105.8	0	0	0	0	115.5
573	S	31.2	Very low	31.1	Very low	106 Å²	106	138.5 Å²	138.5	74%	0.741	78%	0.784	S	S	*	*			cis	-161.9	168.3	-6.6	29.9	0	0	0	0	112.5
574	D	28.4	Very low	31.1	Very low	136 Å²	136	142.5 Å²	142.5	73%	0.727	80%	0.796	S	S	*	*			trans	-30.6	148	175.5	-72.7	-65.7	0	0	0	122.3
575	F	28.9	Very low	31.2	Very low	186 Å²	186	143 Å²	143	82%	0.816	80%	0.799	S	S	*	*			trans	32.4	127.7	147.7	-67.2	-88.3	0	0	0	119.5
576	T	33	Very low	31.2	Very low	126 Å²	126	141.6 Å²	141.6	77%	0.773	79%	0.792	S	S	*	*			cis	-163.4	146.8	47.6	52	0	0	0	0	114.6
577	N	30.4	Very low	31.2	Very low	155 Å²	155	142.9 Å²	142.9	83%	0.829	78%	0.782	S	S	*	*			trans	34.9	149	144.3	-92.6	4.5	0	0	0	123.5
578	P	38.1	Very low	31.2	Very low	118 Å²	118	149.5 Å²	149.5	77%	0.766	79%	0.786	S	S	*	*			cis	-142.3	148.9	-45.5	35.5	-16.2	0	0	0	115.6
579	G	27.5	Very low	31.3	Very low	72 Å²	72	145 Å²	145	74%	0.742	78%	0.78	S	S	*	*			trans	123.1	157.5	146.6	0	0	0	0	0	120.1
580	I	32.7	Very low	31.2	Very low	165 Å²	165	143.7 Å²	143.7	85%	0.846	77%	0.773	S	S	*	*			trans	80.5	108.3	164.9	-53.2	-177.7	0	0	0	118.1
581	Y	30.5	Very low	31.3	Very low	212 Å²	212	144.5 Å²	144.5	83%	0.831	77%	0.767	S	S	*	*			trans	65	108.6	155.7	-84.7	-118.3	0	0	0	122.7
582	R	29.8	Very low	31.7	Very low	225 Å²	225	145.5 Å²	145.5	85%	0.849	76%	0.764	S	S	*	*				32.6	154	117.9	-78.2	-167.8	179	-157.5	0.2	121.8
583	P	36.2	Very low	32.1	Very low	96 Å²	96	149 Å²	149	62%	0.623	77%	0.765	S	S	*	*			cis	-143	179.3	-23.5	43.2	-25	0	0	0	115.9
584	D	31.6	Very low	32.5	Very low	154 Å²	154	150.5 Å²	150.5	82%	0.824	77%	0.769	S	S	*	*			trans	44.9	133.3	152.8	-42.3	-26.4	0	0	0	121.8
585	D	34.2	Very low	33.7	Very low	158 Å²	158	148.8 Å²	148.8	85%	0.845	76%	0.759	S	S	*	*			cis	-144.5	-122.9	-16.2	-161.9	-4.7	0	0	0	109.9
586	D	32.4	Very low	35.4	Very low	111 Å²	111	144.7 Å²	144.7	59%	0.594	75%	0.749	S	S	*	*			cis	-161.1	158.2	0.4	-172.8	8.1	0	0	0	110.1
587	K	33	Very low	36.5	Very low	145 Å²	145	145.2 Å²	145.2	63%	0.63	74%	0.743	S	S	*	*			trans	65.9	110.7	162.3	-61.3	-146.3	166.9	50.7	0	125.3
588	Y	30.5	Very low	37.5	Very low	210 Å²	210	147.5 Å²	147.5	82%	0.824	74%	0.74	S	S	*	*			trans	61.2	140	141.6	-69.6	-98.8	0	0	0	119.1
589	D	32.8	Very low	38.4	Very low	140 Å²	140	149.2 Å²	149.2	75%	0.749	73%	0.732	S	S	*	*			cis	-134.6	158.3	32.4	-179	37	0	0	0	113.9
590	D	30.1	Very low	40.5	Very low	138 Å²	138	153.4 Å²	153.4	74%	0.738	73%	0.725	S	S	*	*			trans	-134.2	125.7	-178	-179.9	21.4	0	0	0	112.7	K592	D590-K592 PolarHBondContact OD1-N 2.85Å
591	S	30.6	Very low	42.3	Very low	90 Å²	90	151.4 Å²	151.4	63%	0.629	71%	0.713	S	S	*	*			trans	-151.5	29.2	179.7	57.3	0	0	0	0	115.9	K593	S591-K593 VanDerWaalsContact C-N 3.26Å; S591-K593 PolarHBondContact O-N 3.17Å
592	K	35.5	Very low	43.8	Very low	197 Å²	197	146.5 Å²	146.5	86%	0.857	70%	0.698	S	S	*	*			trans	-75.7	75.7	169.1	-81.4	-176.7	179.5	170.4	0	111.9	D590 V594	D590-K592 PolarHBondContact OD1-N 2.85Å; K592-V594 PolarHBondContact O-N 3.14Å
593	K	37.3	Very low	45.7	Very low	189 Å²	189	140.2 Å²	140.2	82%	0.822	68%	0.681	S	S	*	*			trans	-57.9	106.3	-179.6	-71	-178	178.4	175.9	0	112.5	S591	S591-K593 VanDerWaalsContact C-N 3.26Å; S591-K593 PolarHBondContact O-N 3.17Å
594	V	38.5	Very low	47.4	Very low	138 Å²	138	141.2 Å²	141.2	84%	0.836	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-56.1	134.6	168.6	178.7	0	0	0	0	109.7	K592 T596	K592-V594 PolarHBondContact O-N 3.14Å; V594-T596 PolarHBondContact O-N 3.35Å
595	L	53.9	Low	49.2	Very low	99 Å²	99	140.9 Å²	140.9	52%	0.518	67%	0.668	S	S	.	*	P	Polyproline II helix	trans	-69.8	127.2	175.9	-104.3	75.7	0	0	0	110.5	R599 L603	L595-R599 HydrophobicContact CD2-CB 4.33Å; L595-R599 HydrophobicContact CD2-CG 4.16Å; L595-L603 HydrophobicContact CD2-CD1 4.09Å
596	T	65.1	Low	50.4	Low	100 Å²	100	136.1 Å²	136.1	61%	0.613	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-63	143.8	171	47.4	0	0	0	0	111.2	V594 R598 R599 R600	V594-T596 PolarHBondContact O-N 3.35Å; T596-R598 VanDerWaalsContact C-N 3.27Å; T596-R598 PolarHBondContact O-N 3.43Å; T596-R599 WeakPolarHBondContact O-CA 3.44Å; T596-R599 VanDerWaalsContact O-CB 3.29Å; T596-R599 WeakPolarHBondContact O-CB 3.48Å; T596-R599 PolarHBondContact O-N 3.3Å; T596-R600 PolarHBondContact O-N 2.98Å
597	E	55.5	Low	52.3	Low	137 Å²	137	140.1 Å²	140.1	64%	0.64	65%	0.649	S	S	*	*	H	α-helix	trans	-58.9	-35.5	-172	-174.2	147.2	-133.9	0	0	113.6	R599 R600 M601	E597-R599 PolarHBondContact O-N 3.02Å; E597-R599 VanDerWaalsContact O-N 3.16Å; E597-R600 WeakPolarHBondContact O-CB 3.46Å; E597-R600 PolarHBondContact O-N 3.02Å; E597-M601 PolarHBondContact O-N 2.85Å
598	R	52.7	Low	54	Low	204 Å²	204	136 Å²	136	77%	0.77	64%	0.642	S	S	*	*	H	α-helix	trans	-52.3	-36.3	170.9	-167.3	176.2	-172.6	176.1	3.3	112.8	T596 Q602	T596-R598 VanDerWaalsContact C-N 3.27Å; T596-R598 PolarHBondContact O-N 3.43Å; R598-Q602 VanDerWaalsContact O-CG 3.3Å; R598-Q602 WeakPolarHBondContact O-CG 3.43Å; R598-Q602 PolarHBondContact O-N 3.45Å; R598-Q602 VanDerWaalsContact O-N 3.14Å
599	R	56.4	Low	55.2	Low	154 Å²	154	130.5 Å²	130.5	58%	0.581	63%	0.625	S	S	*	*	H	α-helix	trans	-80.5	-30.4	179.9	-155.6	171.6	-172.1	178.8	2.6	112.5	L595 T596 E597 L603	L595-R599 HydrophobicContact CD2-CB 4.33Å; L595-R599 HydrophobicContact CD2-CG 4.16Å; T596-R599 WeakPolarHBondContact O-CA 3.44Å; T596-R599 VanDerWaalsContact O-CB 3.29Å; T596-R599 WeakPolarHBondContact O-CB 3.48Å; T596-R599 PolarHBondContact O-N 3.3Å; E597-R599 PolarHBondContact O-N 3.02Å; E597-R599 VanDerWaalsContact O-N 3.16Å; R599-L603 WeakPolarHBondContact O-CG 3.38Å; R599-L603 PolarHBondContact O-N 3.16Å
600	R	71.9	Confident	56.2	Low	160 Å²	160	126.8 Å²	126.8	60%	0.604	61%	0.613	S	S	*	*	H	α-helix	trans	-64.9	-48.5	168.5	179.8	-177.8	175.3	179	-0	110.8	T596 E597 Q602 L603 E604	T596-R600 PolarHBondContact O-N 2.98Å; E597-R600 WeakPolarHBondContact O-CB 3.46Å; E597-R600 PolarHBondContact O-N 3.02Å; R600-Q602 VanDerWaalsContact C-N 3.28Å; R600-Q602 PolarHBondContact O-N 2.76Å; R600-L603 WeakPolarHBondContact O-CB 3.22Å; R600-L603 PolarHBondContact O-N 3.12Å; R600-L603 VanDerWaalsContact O-N 3.1Å; R600-E604 PolarHBondContact O-N 3.06Å
601	M	69.6	Low	57.5	Low	122 Å²	122	123.7 Å²	123.7	60%	0.601	61%	0.607	S	S	*	*	H	α-helix	trans	-63.7	-32.1	179.8	-158.1	-176.5	-68	0	0	112.6	E597 K605	E597-M601 PolarHBondContact O-N 2.85Å; M601-K605 PolarHBondContact O-N 3.37Å; M601-K605 VanDerWaalsContact O-N 3.11Å
602	Q	61.8	Low	58.5	Low	109 Å²	109	127.1 Å²	127.1	51%	0.509	61%	0.613	S	S	.	*	H	α-helix	trans	-64.8	-46.9	169.5	-78.4	171.4	-37.6	0	0	112.6	R598 R600 E604 K605 I606	R598-Q602 VanDerWaalsContact O-CG 3.3Å; R598-Q602 WeakPolarHBondContact O-CG 3.43Å; R598-Q602 PolarHBondContact O-N 3.45Å; R598-Q602 VanDerWaalsContact O-N 3.14Å; R600-Q602 VanDerWaalsContact C-N 3.28Å; R600-Q602 PolarHBondContact O-N 2.76Å; Q602-E604 PolarHBondContact O-N 2.68Å; Q602-K605 PolarHBondContact O-N 3.47Å; Q602-I606 VanDerWaalsContact O-CG1 3.29Å; Q602-I606 WeakPolarHBondContact O-CG1 3.28Å; Q602-I606 PolarHBondContact O-N 3.29Å
603	L	70	Confident	58.7	Low	93 Å²	93	122.9 Å²	122.9	49%	0.487	60%	0.599	S	S	.	*	H	α-helix	trans	-61.5	-32.9	176.6	-72.4	165.9	0	0	0	112.5	L595 R599 R600 I606 R607	L595-L603 HydrophobicContact CD2-CD1 4.09Å; R599-L603 WeakPolarHBondContact O-CG 3.38Å; R599-L603 PolarHBondContact O-N 3.16Å; R600-L603 WeakPolarHBondContact O-CB 3.22Å; R600-L603 PolarHBondContact O-N 3.12Å; R600-L603 VanDerWaalsContact O-N 3.1Å; L603-I606 PolarHBondContact O-N 3.44Å; L603-R607 WeakPolarHBondContact O-CG 3.43Å; L603-R607 PolarHBondContact O-N 3.32Å
604	E	72	Confident	58.9	Low	118 Å²	118	122.5 Å²	122.5	55%	0.551	60%	0.598	S	S	*	*	H	α-helix	trans	-69.8	-44.6	176.3	-160.3	130.4	-132.3	0	0	111.9	R600 Q602 I606 R607 A608	R600-E604 PolarHBondContact O-N 3.06Å; Q602-E604 PolarHBondContact O-N 2.68Å; E604-I606 VanDerWaalsContact C-N 3.32Å; E604-I606 PolarHBondContact O-N 3.27Å; E604-R607 PolarHBondContact O-N 3.48Å; E604-A608 PolarHBondContact O-N 3.33Å
605	K	68.8	Low	58.9	Low	146 Å²	146	121 Å²	121	64%	0.635	59%	0.591	S	S	*	*	H	α-helix	trans	-59.9	-38.9	170.1	-92.5	-176.6	173.1	176.6	0	112.9	M601 Q602 A608 M609	M601-K605 PolarHBondContact O-N 3.37Å; M601-K605 VanDerWaalsContact O-N 3.11Å; Q602-K605 PolarHBondContact O-N 3.47Å; K605-A608 PolarHBondContact O-N 3.36Å; K605-M609 WeakPolarHBondContact O-CG 3.37Å; K605-M609 PolarHBondContact O-N 3.29Å
606	I	60.7	Low	58	Low	59 Å²	59	122.2 Å²	122.2	30%	0.303	61%	0.608	S	S	.	*	H	α-helix	trans	-63.1	-41.7	175.9	-69.3	162.3	0	0	0	110.8	I530 Q602 L603 E604 A610	I530-I606 HydrophobicContact CD1-CD1 3.59Å; I530-I606 HydrophobicContact CD1-CG1 3.89Å; I530-I606 HydrophobicContact CG1-CD1 4.19Å; Q602-I606 VanDerWaalsContact O-CG1 3.29Å; Q602-I606 WeakPolarHBondContact O-CG1 3.28Å; Q602-I606 PolarHBondContact O-N 3.29Å; L603-I606 PolarHBondContact O-N 3.44Å; E604-I606 VanDerWaalsContact C-N 3.32Å; E604-I606 PolarHBondContact O-N 3.27Å; I606-A610 VanDerWaalsContact O-CB 3.29Å; I606-A610 WeakPolarHBondContact O-CB 3.24Å; I606-A610 PolarHBondContact O-N 2.95Å
607	R	71.1	Confident	56.6	Low	195 Å²	195	128.5 Å²	128.5	74%	0.736	62%	0.62	S	S	*	*	H	α-helix	trans	-63.8	-41.2	174.4	-75.4	179.7	178.9	178.1	0.1	112.9	L603 E604 A610 A611	L603-R607 WeakPolarHBondContact O-CG 3.43Å; L603-R607 PolarHBondContact O-N 3.32Å; E604-R607 PolarHBondContact O-N 3.48Å; R607-A610 PolarHBondContact O-N 3.19Å; R607-A611 PolarHBondContact O-N 3.42Å; R607-A611 VanDerWaalsContact O-N 3.12Å
608	A	70	Confident	55.4	Low	57 Å²	57	125.7 Å²	125.7	47%	0.471	63%	0.628	S	S	.	*	H	α-helix	trans	-61.9	-50.7	177.1	0	0	0	0	0	111.6	E604 K605 A610 A611 E612	E604-A608 PolarHBondContact O-N 3.33Å; K605-A608 PolarHBondContact O-N 3.36Å; A608-A610 VanDerWaalsContact C-N 3.3Å; A608-A610 PolarHBondContact O-N 3.41Å; A608-A611 WeakPolarHBondContact O-CB 3.4Å; A608-A611 PolarHBondContact O-N 2.85Å; A608-E612 PolarHBondContact O-N 3.22Å
609	M	54.1	Low	54.4	Low	95 Å²	95	128 Å²	128	47%	0.468	64%	0.637	S	S	.	*	H	α-helix	trans	-62.3	-35.3	177.3	-66.9	177.3	-176.4	0	0	112.5	K605 A611 E612 L613	K605-M609 WeakPolarHBondContact O-CG 3.37Å; K605-M609 PolarHBondContact O-N 3.29Å; M609-A611 VanDerWaalsContact C-N 3.29Å; M609-A611 PolarHBondContact O-N 2.94Å; M609-E612 PolarHBondContact O-N 3.09Å; M609-L613 WeakPolarHBondContact O-CB 3.39Å; M609-L613 WeakPolarHBondContact O-CD1 3.15Å; M609-L613 VanDerWaalsContact O-CG 3.29Å; M609-L613 WeakPolarHBondContact O-CG 3.42Å; M609-L613 PolarHBondContact O-N 3.15Å
610	A	54	Low	53.3	Low	62 Å²	62	125.6 Å²	125.6	51%	0.512	64%	0.643	S	S	.	*	H	α-helix	trans	-69.3	-23.4	175.5	0	0	0	0	0	113.6	I606 R607 A608	I606-A610 VanDerWaalsContact O-CB 3.29Å; I606-A610 WeakPolarHBondContact O-CB 3.24Å; I606-A610 PolarHBondContact O-N 2.95Å; R607-A610 PolarHBondContact O-N 3.19Å; A608-A610 VanDerWaalsContact C-N 3.3Å; A608-A610 PolarHBondContact O-N 3.41Å
611	A	58.8	Low	51.4	Low	74 Å²	74	129.2 Å²	129.2	61%	0.612	66%	0.657	S	S	*	*	H	α-helix	trans	-74.8	-39.1	174.8	0	0	0	0	0	112.1	R607 A608 M609 L613	R607-A611 PolarHBondContact O-N 3.42Å; R607-A611 VanDerWaalsContact O-N 3.12Å; A608-A611 WeakPolarHBondContact O-CB 3.4Å; A608-A611 PolarHBondContact O-N 2.85Å; M609-A611 VanDerWaalsContact C-N 3.29Å; M609-A611 PolarHBondContact O-N 2.94Å; A611-L613 VanDerWaalsContact C-N 3.32Å
612	E	50.5	Low	49.7	Very low	162 Å²	162	126.9 Å²	126.9	76%	0.757	66%	0.664	S	S	*	*	H	α-helix	trans	-70.1	-27	176.6	-64	-179.3	156.9	0	0	112.9	A608 M609 K614	A608-E612 PolarHBondContact O-N 3.22Å; M609-E612 PolarHBondContact O-N 3.09Å; E612-K614 VanDerWaalsContact C-N 3.35Å; E612-K614 PolarHBondContact O-N 2.73Å
613	L	40.6	Very low	48.2	Very low	107 Å²	107	129.7 Å²	129.7	56%	0.56	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.7	16.4	-173	-74.7	171.8	0	0	0	115.7	M609 A611 P615	M609-L613 WeakPolarHBondContact O-CB 3.39Å; M609-L613 WeakPolarHBondContact O-CD1 3.15Å; M609-L613 VanDerWaalsContact O-CG 3.29Å; M609-L613 WeakPolarHBondContact O-CG 3.42Å; M609-L613 PolarHBondContact O-N 3.15Å; A611-L613 VanDerWaalsContact C-N 3.32Å; L613-P615 WeakPolarHBondContact O-CD 3.47Å
614	K	40.3	Very low	46.4	Very low	181 Å²	181	129 Å²	129	79%	0.787	70%	0.697	S	S	*	*			trans	-76.6	108.7	168.6	-83.6	-173.3	175.6	178.1	0	110.5	E612 S616	E612-K614 VanDerWaalsContact C-N 3.35Å; E612-K614 PolarHBondContact O-N 2.73Å; K614-S616 PolarHBondContact O-N 3.39Å
615	P	39.5	Very low	44.5	Very low	108 Å²	108	135.9 Å²	135.9	70%	0.701	72%	0.718	S	S	*	*			trans	-75.9	132.9	-178.4	-9.4	28.2	0	0	0	109.8	L613 R617	L613-P615 WeakPolarHBondContact O-CD 3.47Å; P615-R617 PolarHBondContact O-N 2.79Å
616	S	33.7	Very low	42.6	Very low	124 Å²	124	132.1 Å²	132.1	87%	0.867	72%	0.721	S	S	*	*			trans	-71.1	66.4	169.5	42.5	0	0	0	0	111.1	K614 G618	K614-S616 PolarHBondContact O-N 3.39Å; S616-G618 PolarHBondContact O-N 2.89Å
617	R	36.2	Very low	41.3	Very low	232 Å²	232	137.4 Å²	137.4	88%	0.875	75%	0.748	S	S	*	*			trans	-61	98.4	175.2	-93.7	-175.2	165.5	166.8	-3.2	110.2	P615 R619	P615-R617 PolarHBondContact O-N 2.79Å; R617-R619 PolarHBondContact O-N 3.18Å
618	G	30.2	Very low	39.4	Very low	77 Å²	77	139.6 Å²	139.6	79%	0.794	76%	0.756	S	S	*	*			trans	-59.7	129.5	175.8	0	0	0	0	0	111.5	S616	S616-G618 PolarHBondContact O-N 2.89Å
619	R	32.9	Very low	37.8	Very low	254 Å²	254	142.8 Å²	142.8	96%	0.958	77%	0.773	S	S	*	*			trans	-110.2	109.6	165.6	-95	-173.4	166.2	-172.2	-3.5	109.6	R617	R617-R619 PolarHBondContact O-N 3.18Å
620	S	33.7	Very low	36.7	Very low	103 Å²	103	141.7 Å²	141.7	72%	0.72	79%	0.786	S	S	*	*			trans	-133.2	131	166.9	-177.7	0	0	0	0	105.4
621	R	31.6	Very low	35.5	Very low	235 Å²	235	143.9 Å²	143.9	89%	0.887	80%	0.804	S	S	*	*			cis	-147.9	154.8	4.9	-123.5	166.1	-177.9	178.6	0.8	108.4
622	G	32.4	Very low	34.2	Very low	73 Å²	73	145.6 Å²	145.6	75%	0.753	82%	0.818	S	S	*	*			trans	-155.2	114.3	172	0	0	0	0	0	110.2	G624	G622-G624 PolarHBondContact O-N 2.69Å
623	N	30.3	Very low	33.2	Very low	169 Å²	169	143.3 Å²	143.3	90%	0.904	82%	0.82	S	S	*	*			trans	-79.1	119.8	-175	-77.5	-17.3	0	0	0	111.3
624	G	32.8	Very low	32.9	Very low	77 Å²	77	147.2 Å²	147.2	79%	0.794	84%	0.835	S	S	*	*			trans	-143.2	128.2	168.6	0	0	0	0	0	109.9	G622	G622-G624 PolarHBondContact O-N 2.69Å
625	R	32.6	Very low	32.4	Very low	263 Å²	263	142.1 Å²	142.1	99%	0.992	83%	0.834	S	S	*	*			trans	-89.7	145.1	-178.3	-64.7	173.1	172.5	170.7	-4.2	110.7
626	G	29	Very low	31.9	Very low	67 Å²	67	142.3 Å²	142.3	69%	0.691	84%	0.838	S	S	*	*			trans	146.6	116.6	149.5	0	0	0	0	0	118.6
627	I	33.2	Very low	31.7	Very low	170 Å²	170	144.4 Å²	144.4	87%	0.872	84%	0.838	S	S	*	*			trans	64.3	103.4	137.2	-50.8	173.7	0	0	0	119
628	R	30.2	Very low	31.4	Very low	241 Å²	241	142.6 Å²	142.6	91%	0.909	84%	0.837	S	S	*	*			trans	-92.6	164.5	132	-86	-174.8	174.7	-163.2	-0.3	107.4
629	P	37.3	Very low	31.9	Very low	125 Å²	125	144.6 Å²	144.6	81%	0.812	84%	0.836	S	S	*	*			cis	-150.2	-165.2	38.8	44	-22.5	0	0	0	116.6
630	G	30.9	Very low	31.7	Very low	72 Å²	72	144.9 Å²	144.9	74%	0.742	84%	0.837	S	S	*	*			trans	90.5	114.5	166.6	0	0	0	0	0	114
631	A	28.6	Very low	31.4	Very low	108 Å²	108	143.5 Å²	143.5	89%	0.893	84%	0.839	S	S	*	*			cis	87.8	101.6	23.4	0	0	0	0	0	115.6
632	A	32.7	Very low	31.2	Very low	109 Å²	109	144.2 Å²	144.2	90%	0.901	84%	0.842	S	S	*	*			trans	-150.9	143	158.6	0	0	0	0	0	108.9
633	S	29.5	Very low	30.8	Very low	114 Å²	114	146.2 Å²	146.2	80%	0.797	84%	0.843	S	S	*	*			trans	-135.7	149.3	178.2	59	0	0	0	0	110.4
634	Q	33.6	Very low	30.7	Very low	190 Å²	190	149.7 Å²	149.7	89%	0.888	84%	0.843	S	S	*	*			trans	155.4	140.8	155.4	-88.3	-62.8	-7.5	0	0	108.3
635	G	29.1	Very low	30.5	Very low	74 Å²	74	150.5 Å²	150.5	76%	0.763	84%	0.837	S	S	*	*			trans	149.3	66.4	-175.4	0	0	0	0	0	113.8
636	S	29.4	Very low	30.2	Very low	112 Å²	112	145.8 Å²	145.8	78%	0.783	83%	0.83	S	S	*	*			trans	-71.8	143.4	174.4	-178	0	0	0	0	111.7
637	L	30.8	Very low	30.1	Very low	168 Å²	168	154.4 Å²	154.4	88%	0.88	84%	0.842	S	S	*	*			trans	-169.7	130.9	130.8	-103.4	167	0	0	0	113.2
638	K	29.6	Very low	29.8	Very low	194 Å²	194	151.7 Å²	151.7	84%	0.843	83%	0.834	S	S	*	*			trans	-153	164.1	166.8	-99.1	-171	179.5	-178.7	0	106.4
639	P	39	Very low	29.7	Very low	119 Å²	119	147.6 Å²	147.6	77%	0.773	83%	0.825	S	S	*	*			cis	-126.1	-171.5	-29	39	-24.3	0	0	0	110.6
640	R	29.4	Very low	29.3	Very low	259 Å²	259	148.1 Å²	148.1	98%	0.977	82%	0.821	S	S	*	*			trans	-144	140.2	155.7	-120.2	-179.2	-176.9	-178.8	1.4	110.9
641	G	27.3	Very low	29.1	Very low	74 Å²	74	151.5 Å²	151.5	76%	0.763	82%	0.822	S	S	*	*			trans	-159.9	161.5	171.2	0	0	0	0	0	109.6
642	R	28.6	Very low	29.1	Very low	250 Å²	250	150.6 Å²	150.6	94%	0.943	81%	0.809	S	S	*	*			trans	-153.9	142.7	166.6	-131	179.8	-172.4	-164.3	0.7	109.9
643	C	24.1	Very low	28.9	Very low	116 Å²	116	156.7 Å²	156.7	78%	0.784	81%	0.809	S	S	*	*			trans	-126.3	179	177.7	-65.1	0	0	0	0	109.3
644	R	28.2	Very low	28.9	Very low	241 Å²	241	157.5 Å²	157.5	91%	0.909	81%	0.808	S	S	*	*			trans	78.3	144.6	170.2	-60.9	-177.1	174	-176.9	-3.3	116.2
645	S	28.2	Very low	28.6	Very low	94 Å²	94	153.4 Å²	153.4	66%	0.657	80%	0.801	S	S	*	*			cis	-171.4	150.6	-16.1	47.9	0	0	0	0	112.2
646	L	25.5	Very low	29.2	Very low	164 Å²	164	154.5 Å²	154.5	86%	0.859	79%	0.794	S	S	*	*			trans	29	123.4	141.5	-59.8	170.8	0	0	0	120.2
647	R	27.3	Very low	29.3	Very low	248 Å²	248	156 Å²	156	94%	0.936	79%	0.793	S	S	*	*				-158.4	171	126.9	-116.7	177	-178.2	-172.7	-1.7	112
648	T	26.2	Very low	29.3	Very low	113 Å²	113	155.4 Å²	155.4	69%	0.693	79%	0.786	S	S	*	*			trans	-126.6	177.1	-161.8	44	0	0	0	0	112.9
649	E	29	Very low	29.5	Very low	156 Å²	156	150.3 Å²	150.3	73%	0.729	77%	0.771	S	S	*	*			trans	94.8	105.4	157.4	-65.2	173.4	-138.1	0	0	121
650	N	28	Very low	29.1	Very low	135 Å²	135	152 Å²	152	72%	0.722	77%	0.773	S	S	*	*				83.7	151.8	116.6	-60	-6	0	0	0	124.8
651	D	27.9	Very low	29.2	Very low	143 Å²	143	143.4 Å²	143.4	77%	0.765	76%	0.758	S	S	*	*			trans	76.2	81.1	154.4	-68.4	-9.5	0	0	0	124.6
652	S	28.9	Very low	29.4	Very low	89 Å²	89	146.8 Å²	146.8	62%	0.622	76%	0.764	S	S	*	*				71.1	151.2	106.5	87.1	0	0	0	0	123.8
653	R	28.4	Very low	29.4	Very low	237 Å²	237	138.8 Å²	138.8	89%	0.894	75%	0.751	S	S	*	*			trans	69.8	142.7	153.6	-86.9	176.3	167.5	144.6	-3.6	117.5
654	V	29	Very low	29.8	Very low	131 Å²	131	140.2 Å²	140.2	79%	0.794	75%	0.751	S	S	*	*			cis	-138.8	162.2	3	-168.7	0	0	0	0	110.3
655	S	26.6	Very low	30.1	Very low	104 Å²	104	137.1 Å²	137.1	73%	0.727	75%	0.747	S	S	*	*			trans	-92.5	-147	170.6	53.9	0	0	0	0	110.9
656	P	42.2	Very low	30.1	Very low	97 Å²	97	139.1 Å²	139.1	63%	0.63	75%	0.75	S	S	*	*			cis	-139.6	-155.2	-6.4	39.9	-16.5	0	0	0	115.4
657	L	30.7	Very low	30.4	Very low	144 Å²	144	138.2 Å²	138.2	75%	0.754	75%	0.746	S	S	*	*			trans	79.3	137.1	173.1	-53.3	134.1	0	0	0	113.5
658	E	32.2	Very low	30.5	Very low	155 Å²	155	131.6 Å²	131.6	72%	0.724	73%	0.734	S	S	*	*			cis	-165.5	175.8	7.9	-131.4	-172.6	-117.2	0	0	109.7
659	T	32.7	Very low	30.8	Very low	88 Å²	88	134.3 Å²	134.3	54%	0.54	74%	0.743	S	S	.	*			cis	-154.7	154.5	0.6	-24.9	0	0	0	0	110.2
660	N	30.9	Very low	30.8	Very low	153 Å²	153	130.2 Å²	130.2	82%	0.818	74%	0.742	S	S	*	*			trans	61.3	154.5	150.2	-70.9	-15.1	0	0	0	122.3
661	A	30.9	Very low	31.1	Very low	80 Å²	80	131.8 Å²	131.8	66%	0.661	75%	0.751	S	S	*	*			cis	-173.3	178.2	-23.4	0	0	0	0	0	110.8
662	V	32.1	Very low	31.2	Very low	144 Å²	144	132.8 Å²	132.8	87%	0.873	75%	0.751	S	S	*	*			trans	89.2	135.2	167.1	-171.5	0	0	0	0	116.6
663	A	28.7	Very low	31.4	Very low	82 Å²	82	135.5 Å²	135.5	68%	0.678	76%	0.758	S	S	*	*			trans	-135	165.8	171.6	0	0	0	0	0	108.3
664	D	33.4	Very low	31.6	Very low	146 Å²	146	129.3 Å²	129.3	78%	0.781	75%	0.752	S	S	*	*			trans	-178.7	119.1	155.2	-87.2	-19.9	0	0	0	104.9
665	E	34.4	Very low	31.6	Very low	176 Å²	176	130.4 Å²	130.4	82%	0.822	75%	0.753	S	S	*	*				96.6	147.5	74.2	-80.2	-150.2	162.3	0	0	114
666	N	26.8	Very low	31.7	Very low	137 Å²	137	133.7 Å²	133.7	73%	0.733	76%	0.762	S	S	*	*			trans	-79.2	154.7	-155.3	-43.2	-74.1	0	0	0	115.5
667	D	31.3	Very low	31.2	Very low	145 Å²	145	137 Å²	137	78%	0.775	77%	0.773	S	S	*	*				-171.1	133.6	111.4	-99.8	-30.3	0	0	0	110.4
668	T	30.2	Very low	30.9	Very low	109 Å²	109	133.5 Å²	133.5	67%	0.669	77%	0.772	S	S	*	*				61.3	114.9	71	-31.7	0	0	0	0	110.8
669	L	33.2	Very low	30.7	Very low	169 Å²	169	136.4 Å²	136.4	89%	0.885	78%	0.783	S	S	*	*			cis	-139.6	171.6	37	-64.6	148.9	0	0	0	110
670	G	29.2	Very low	30.3	Very low	70 Å²	70	138.8 Å²	138.8	72%	0.722	79%	0.792	S	S	*	*			cis	127.8	102.4	2.3	0	0	0	0	0	111.9
671	D	33.5	Very low	30	Very low	169 Å²	169	140.8 Å²	140.8	90%	0.904	80%	0.796	S	S	*	*			trans	-159	151	160.5	-138.7	-13.8	0	0	0	110
672	E	29.7	Very low	29.7	Very low	164 Å²	164	141.5 Å²	141.5	77%	0.766	80%	0.797	S	S	*	*			trans	-114.3	146.2	-162.3	-58.9	175.6	153.8	0	0	113.4
673	N	32.9	Very low	29.6	Very low	145 Å²	145	140.9 Å²	140.9	78%	0.775	79%	0.793	S	S	*	*				166.8	166.1	114.7	-97.6	-81.3	0	0	0	116.3
674	S	33.9	Very low	29.5	Very low	108 Å²	108	145.6 Å²	145.6	76%	0.755	80%	0.801	S	S	*	*			trans	74	99.9	165.3	60.8	0	0	0	0	118.5
675	D	27.2	Very low	29	Very low	153 Å²	153	147.8 Å²	147.8	82%	0.818	81%	0.809	S	S	*	*			trans	-58.2	150.3	156.5	-48.2	-95.6	0	0	0	112.3
676	L	30.4	Very low	28.7	Very low	174 Å²	174	148.5 Å²	148.5	91%	0.911	81%	0.812	S	S	*	*			trans	-137.6	132.5	142.8	-152.5	85.1	0	0	0	109.2
677	L	30.6	Very low	28.6	Very low	166 Å²	166	150.7 Å²	150.7	87%	0.869	82%	0.818	S	S	*	*			trans	-71.7	135.7	-176.6	-65.6	167.1	0	0	0	110.9
678	G	23.9	Very low	28.5	Very low	71 Å²	71	151.9 Å²	151.9	73%	0.732	82%	0.822	S	S	*	*			trans	-75.2	152.1	175.7	0	0	0	0	0	112.8
679	F	28.3	Very low	28.3	Very low	216 Å²	216	153.9 Å²	153.9	95%	0.947	83%	0.829	S	S	*	*			trans	-126	152.1	156.8	-118.3	-94.1	0	0	0	109
680	D	24.7	Very low	27.9	Very low	137 Å²	137	151.3 Å²	151.3	73%	0.733	83%	0.825	S	S	*	*			trans	-83	135.9	-165.8	-159.5	-15.3	0	0	0	112.2	S682	D680-S682 PolarHBondContact OD1-OG 2.78Å
681	E	24.5	Very low	27.7	Very low	195 Å²	195	153.3 Å²	153.3	91%	0.911	83%	0.828	S	S	*	*			trans	-147.7	94.7	171.6	-163.7	173.1	-118.7	0	0	110.1
682	S	24.5	Very low	27.3	Very low	96 Å²	96	153.3 Å²	153.3	67%	0.671	83%	0.828	S	S	*	*			trans	-152.3	77.6	-178.9	56.6	0	0	0	0	114.9	D680	D680-S682 PolarHBondContact OD1-OG 2.78Å
683	V	29.3	Very low	27.1	Very low	130 Å²	130	148.8 Å²	148.8	79%	0.788	83%	0.825	S	S	*	*			trans	-140.2	121.1	159.1	174.7	0	0	0	0	111
684	E	26.9	Very low	26.8	Very low	181 Å²	181	150.4 Å²	150.4	85%	0.846	83%	0.833	S	S	*	*			trans	46.9	106.4	155.3	-63.2	172.8	170	0	0	120.9
685	M	24.2	Very low	26.5	Very low	192 Å²	192	153.2 Å²	153.2	95%	0.946	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-94.1	118.5	148.9	-86.8	-160.3	-70.1	0	0	110.6
686	E	28.2	Very low	26.5	Very low	191 Å²	191	157.3 Å²	157.3	89%	0.893	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-92.4	154.1	158.2	-80.7	-146.4	124.8	0	0	112.1
687	Q	23.9	Very low	26.3	Very low	184 Å²	184	156.7 Å²	156.7	86%	0.86	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-95.7	121.8	-171.9	-60.7	176.2	-0.5	0	0	112.1
688	I	28.3	Very low	26.1	Very low	169 Å²	169	160.9 Å²	160.9	87%	0.867	85%	0.845	S	S	*	*			trans	-123.6	128	165	-60.3	-176	0	0	0	110.3
689	N	27	Very low	26.4	Very low	151 Å²	151	164 Å²	164	81%	0.807	84%	0.844	S	S	*	*			trans	-78.7	147.2	-174.6	-89	-69	0	0	0	113.4
690	S	24.4	Very low	26.5	Very low	116 Å²	116	159.5 Å²	159.5	81%	0.811	84%	0.837	S	S	*	*			trans	-71.4	128.2	-175.9	61.9	0	0	0	0	114.2
691	S	24.7	Very low	26.7	Very low	111 Å²	111	159.7 Å²	159.7	78%	0.776	84%	0.838	S	S	*	*			trans	-156.8	140.8	144.5	60.2	0	0	0	0	113.5
692	N	26.3	Very low	26.9	Very low	170 Å²	170	155 Å²	155	91%	0.909	83%	0.832	S	S	*	*			trans	8.4	99.3	165.2	-57.2	-14.4	0	0	0	118.5
693	G	26.1	Very low	27	Very low	68 Å²	68	158 Å²	158	70%	0.701	84%	0.841	S	S	*	*			trans	-155.4	18.7	-179.3	0	0	0	0	0	118.2
694	L	25.5	Very low	27.1	Very low	179 Å²	179	160.8 Å²	160.8	94%	0.937	85%	0.845	S	S	*	*			trans	-113.6	65	-176.3	-68.1	176.4	0	0	0	113.1
695	N	27.1	Very low	27.1	Very low	167 Å²	167	160.1 Å²	160.1	89%	0.893	85%	0.847	S	S	*	*	S	Bend	trans	-162.8	30.9	164.1	-121.2	1.5	0	0	0	114.9
696	R	26.8	Very low	27.3	Very low	240 Å²	240	157.7 Å²	157.7	91%	0.906	84%	0.844	S	S	*	*			trans	-146.3	99.3	169	-72.4	-167.7	-177.9	-161.1	0.2	110
697	L	27.3	Very low	27.4	Very low	160 Å²	160	155.9 Å²	155.9	84%	0.838	84%	0.84	S	S	*	*			trans	-155.2	35.4	170.6	-157.7	70.2	0	0	0	112
698	W	26.7	Very low	27.5	Very low	255 Å²	255	156.2 Å²	156.2	97%	0.966	84%	0.842	S	S	*	*			trans	-149.5	60.2	176.7	-72.5	110.3	0	0	0	109.8
699	D	30.5	Very low	27.4	Very low	136 Å²	136	154 Å²	154	73%	0.727	83%	0.832	S	S	*	*			trans	-151.7	97.6	174.1	-144.1	-7.1	0	0	0	108.6	D701	D699-D701 VanDerWaalsContact C-N 3.34Å
700	P	29	Very low	27.4	Very low	121 Å²	121	153.1 Å²	153.1	79%	0.786	84%	0.837	S	S	*	*			trans	-92.8	16.8	-173.9	37.7	-35.5	0	0	0	113.8
701	D	28.8	Very low	27.6	Very low	142 Å²	142	150.3 Å²	150.3	76%	0.759	82%	0.818	S	S	*	*			trans	-122.7	94.7	177.9	-71.2	-57.6	0	0	0	109.3	D699	D699-D701 VanDerWaalsContact C-N 3.34Å
702	A	30.4	Very low	27.8	Very low	95 Å²	95	152.2 Å²	152.2	79%	0.785	82%	0.818	S	S	*	*			trans	-145.4	34.7	-175.6	0	0	0	0	0	114.2
703	D	26.4	Very low	27.9	Very low	161 Å²	161	147.4 Å²	147.4	86%	0.861	80%	0.798	S	S	*	*			trans	-135.9	163.5	168.6	-108.6	-45.9	0	0	0	111.3
704	E	30.3	Very low	28.2	Very low	187 Å²	187	150.3 Å²	150.3	87%	0.874	80%	0.796	S	S	*	*			trans	71.1	127.2	-175.9	-54.9	-143.7	138.9	0	0	118.4
705	N	26.5	Very low	28.4	Very low	167 Å²	167	146.8 Å²	146.8	89%	0.893	78%	0.782	S	S	*	*			trans	-85.9	127.3	173.5	-69.3	-91.9	0	0	0	110.5
706	T	29.6	Very low	28.6	Very low	142 Å²	142	144.1 Å²	144.1	87%	0.871	77%	0.772	S	S	*	*			trans	-137.2	134.1	145	26.9	0	0	0	0	110.1
707	N	29.2	Very low	28.9	Very low	153 Å²	153	137.3 Å²	137.3	82%	0.818	75%	0.749	S	S	*	*			trans	-79.4	169.4	159.4	-81	-62.3	0	0	0	108.8
708	E	26.4	Very low	29.1	Very low	191 Å²	191	137 Å²	137	89%	0.893	74%	0.74	S	S	*	*			trans	74.5	78.3	174	-53	-179.6	-158.6	0	0	115.6
709	D	26	Very low	29.4	Very low	123 Å²	123	130.7 Å²	130.7	66%	0.658	73%	0.73	S	S	*	*				-154.5	125.9	116.9	-145.6	-35.5	0	0	0	113.4	S711	D709-S711 PolarHBondContact O-N 3.23Å; D709-S711 PolarHBondContact OD1-OG 3.36Å
710	S	27.3	Very low	29.3	Very low	131 Å²	131	130.3 Å²	130.3	92%	0.916	73%	0.728	S	S	*	*			trans	-98.9	44.1	-174.2	179.8	0	0	0	0	112.7
711	S	28.4	Very low	29.5	Very low	58 Å²	58	128.6 Å²	128.6	41%	0.406	72%	0.716	S	S	.	*			trans	-132.2	-26.5	-171.2	57.9	0	0	0	0	115.1	D709 S713	D709-S711 PolarHBondContact O-N 3.23Å; D709-S711 PolarHBondContact OD1-OG 3.36Å; S711-S713 VanDerWaalsContact C-N 3.3Å; S711-S713 PolarHBondContact O-N 3.15Å
712	L	29.5	Very low	30.1	Very low	150 Å²	150	125 Å²	125	79%	0.785	70%	0.696	S	S	*	*			trans	-77	5.8	-160.2	-67.1	169.6	0	0	0	117.2	I714	L712-I714 PolarHBondContact O-N 3.2Å
713	S	28.3	Very low	30.3	Very low	69 Å²	69	123.9 Å²	123.9	48%	0.483	68%	0.682	S	S	.	*			trans	-92.1	19.8	-172.1	75.8	0	0	0	0	115.9	S711 K717	S711-S713 VanDerWaalsContact C-N 3.3Å; S711-S713 PolarHBondContact O-N 3.15Å; S713-K717 WeakPolarHBondContact O-CD 3.24Å; S713-K717 WeakPolarHBondContact O-CE 3.24Å; S713-K717 WeakPolarHBondContact O-CG 3.35Å; S713-K717 PolarHBondContact O-NZ 2.98Å; S713-K717 PolarHBondContact OG-NZ 3.19Å
714	I	31.9	Very low	30.6	Very low	130 Å²	130	122.4 Å²	122.4	67%	0.667	67%	0.674	S	S	*	*	S	Bend	trans	-98.8	-34.6	-166.7	-65.6	176.6	0	0	0	114	L712	L712-I714 PolarHBondContact O-N 3.2Å
715	V	31.2	Very low	30.8	Very low	104 Å²	104	121.7 Å²	121.7	63%	0.63	66%	0.664	S	S	*	*	S	Bend	trans	-87.5	-46.1	-169	-176.6	0	0	0	0	113.2	K717 K718	V715-K717 PolarHBondContact O-N 3.36Å; V715-K718 PolarHBondContact O-N 2.99Å
716	T	29.7	Very low	31	Very low	111 Å²	111	124.8 Å²	124.8	68%	0.681	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.9	-3.8	174.2	39.6	0	0	0	0	114	N720	T716-N720 PolarHBondContact O-ND2 3.4Å
717	K	32.9	Very low	31.2	Very low	98 Å²	98	121.6 Å²	121.6	43%	0.426	64%	0.644	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.4	-25.9	168.6	-80.8	-176.4	-172.9	133.2	0	113.7	S713 V715 T719 N720 V721	S713-K717 WeakPolarHBondContact O-CD 3.24Å; S713-K717 WeakPolarHBondContact O-CE 3.24Å; S713-K717 WeakPolarHBondContact O-CG 3.35Å; S713-K717 PolarHBondContact O-NZ 2.98Å; S713-K717 PolarHBondContact OG-NZ 3.19Å; V715-K717 PolarHBondContact O-N 3.36Å; K717-T719 PolarHBondContact O-N 3.26Å; K717-N720 CarbonylContact O-C 3.57Å; K717-N720 PolarHBondContact O-N 3.41Å; K717-V721 HydrophobicContact CB-CG2 3.79Å; K717-V721 HydrophobicContact CG-CG2 4.38Å; K717-V721 WeakPolarHBondContact O-CB 3.34Å; K717-V721 WeakPolarHBondContact O-CG2 3.22Å; K717-V721 PolarHBondContact O-N 3.08Å
718	K	32	Very low	31.3	Very low	152 Å²	152	122.4 Å²	122.4	66%	0.661	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.2	-31.3	-174.1	-95	-173.2	175.2	-177.5	0	114.3	D262 V715	D262-K718 IonicContact OD2-NZ 2.76Å; D262-K718 PolarHBondContact OD2-NZ 2.98Å; V715-K718 PolarHBondContact O-N 2.99Å
719	T	32.4	Very low	31.6	Very low	123 Å²	123	119.5 Å²	119.5	76%	0.755	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.8	-14.6	175.4	49.2	0	0	0	0	114.4	K717	K717-T719 PolarHBondContact O-N 3.26Å
720	N	29.5	Very low	32.3	Very low	129 Å²	129	121 Å²	121	69%	0.69	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.4	2.7	177.1	-75.4	-62.4	0	0	0	113.4	T716 K717 I722	T716-N720 PolarHBondContact O-ND2 3.4Å; K717-N720 CarbonylContact O-C 3.57Å; K717-N720 PolarHBondContact O-N 3.41Å; N720-I722 PolarHBondContact O-N 2.95Å
721	V	33.6	Very low	33.3	Very low	85 Å²	85	116.9 Å²	116.9	52%	0.515	63%	0.631	S	S	.	*			trans	-90	48.2	170.7	172.1	0	0	0	0	110	K717 S723	K717-V721 HydrophobicContact CB-CG2 3.79Å; K717-V721 HydrophobicContact CG-CG2 4.38Å; K717-V721 WeakPolarHBondContact O-CB 3.34Å; K717-V721 WeakPolarHBondContact O-CG2 3.22Å; K717-V721 PolarHBondContact O-N 3.08Å; V721-S723 VanDerWaalsContact C-N 3.31Å
722	I	40.7	Very low	35	Very low	67 Å²	67	118.4 Å²	118.4	34%	0.344	64%	0.635	S	S	.	*	S	Bend	trans	-90.1	86.7	136.6	-60	177.4	0	0	0	104	N720 D724	N720-I722 PolarHBondContact O-N 2.95Å; I722-D724 PolarHBondContact O-N 3.03Å
723	S	34.2	Very low	36.9	Very low	71 Å²	71	116 Å²	116	50%	0.497	62%	0.62	S	S	.	*			trans	-59.2	124.6	-172.8	50.6	0	0	0	0	111	V721 Y725	V721-S723 VanDerWaalsContact C-N 3.31Å; S723-Y725 PolarHBondContact O-N 3.02Å
724	D	33	Very low	39	Very low	129 Å²	129	113.4 Å²	113.4	69%	0.69	60%	0.601	S	S	*	*			trans	-57.5	105.5	160.6	-86.5	-28.4	0	0	0	107.9	I722 R726	I722-D724 PolarHBondContact O-N 3.03Å; D724-R726 PolarHBondContact O-N 3.24Å
725	Y	33.5	Very low	40.9	Very low	172 Å²	172	110 Å²	110	68%	0.675	58%	0.583	S	S	*	*			trans	-73.7	77.8	-172.9	-132	-85.7	0	0	0	110.1	S723 T727	S723-Y725 PolarHBondContact O-N 3.02Å; Y725-T727 HydrophobicContact CD1-CG2 3.76Å; Y725-T727 HydrophobicContact CE1-CG2 3.88Å; Y725-T727 PolarHBondContact O-N 3.2Å; Y725-T727 PolarHBondContact O-OG1 3.09Å
726	R	31.6	Very low	43.2	Very low	233 Å²	233	109.1 Å²	109.1	88%	0.879	58%	0.575	S	S	*	*			trans	-71.1	60.2	167.2	-75.3	-171.2	174.6	179.5	-0.3	110.9	D724	D724-R726 PolarHBondContact O-N 3.24Å
727	T	33	Very low	45.6	Very low	74 Å²	74	104.2 Å²	104.2	45%	0.454	54%	0.544	S	S	.	.			trans	-67.9	134.3	142.9	40.8	0	0	0	0	108.1	Y725 N729	Y725-T727 HydrophobicContact CD1-CG2 3.76Å; Y725-T727 HydrophobicContact CE1-CG2 3.88Å; Y725-T727 PolarHBondContact O-N 3.2Å; Y725-T727 PolarHBondContact O-OG1 3.09Å; T727-N729 PolarHBondContact O-N 2.88Å
728	D	32.2	Very low	47.8	Very low	170 Å²	170	104 Å²	104	91%	0.909	54%	0.54	S	S	*	.			trans	-72.1	47.7	172.8	-70.2	-52.3	0	0	0	112.3
729	N	33.2	Very low	50.1	Low	130 Å²	130	97.3 Å²	97.3	70%	0.695	51%	0.512	S	S	*	.			trans	-86.6	126.7	171.1	-87.8	-26.2	0	0	0	109.3	T727 G731	T727-N729 PolarHBondContact O-N 2.88Å; N729-G731 PolarHBondContact O-N 3.15Å
730	T	40.8	Very low	52.5	Low	154 Å²	154	93.5 Å²	93.5	95%	0.945	49%	0.486	S	S	*	.			trans	-75.7	46.2	168.5	56.7	0	0	0	0	111.6
731	G	48.4	Very low	55	Low	46 Å²	46	88 Å²	88	47%	0.474	46%	0.456	S	S	.	.			trans	-78.5	140.3	173	0	0	0	0	0	110.4	N729 E733	N729-G731 PolarHBondContact O-N 3.15Å; G731-E733 PolarHBondContact O-N 3.41Å
732	D	63.7	Low	57.2	Low	89 Å²	89	84.5 Å²	84.5	48%	0.476	44%	0.436	S	S	.	.			trans	-67.2	116.4	176.2	-178.1	9.8	0	0	0	109.6	R520 S734 E735	R520-D732 IonicContact NH1-OD1 3.61Å; R520-D732 PolarHBondContact NH1-OD1 3Å; R520-D732 VanDerWaalsContact NH1-OD1 3.11Å; D732-S734 PolarHBondContact O-N 3.42Å; D732-S734 WeakPolarHBondContact OD1-CB 3.44Å; D732-S734 PolarHBondContact OD1-N 3.39Å; D732-S734 WeakPolarHBondContact OD2-CB 3.38Å; D732-S734 PolarHBondContact OD2-OG 3.38Å; D732-E735 PolarHBondContact O-N 3.4Å
733	E	69.3	Low	59.1	Low	101 Å²	101	81.3 Å²	81.3	47%	0.472	42%	0.42	S	S	.	.	H	α-helix	trans	-50.3	-28.1	178.3	-65.1	-169.9	103.8	0	0	112.3	K516 G731 E735 N736 E737	K516-E733 IonicContact NZ-OE1 3.11Å; K516-E733 PolarHBondContact NZ-OE1 3.07Å; G731-E733 PolarHBondContact O-N 3.41Å; E733-E735 PolarHBondContact O-N 2.97Å; E733-N736 PolarHBondContact O-N 3.4Å; E733-E737 WeakPolarHBondContact O-CB 3.21Å; E733-E737 VanDerWaalsContact O-CG 3.31Å; E733-E737 WeakPolarHBondContact O-CG 3.38Å; E733-E737 PolarHBondContact O-N 3.49Å
734	S	73	Confident	61.4	Low	14 Å²	14	78.1 Å²	78.1	10%	0.098	40%	0.397	C	S	.	.	H	α-helix	trans	-49	-34.4	171.4	-157	0	0	0	0	115.3	R520 D732 R738	R520-S734 VanDerWaalsContact CZ-CA 3.47Å; R520-S734 PolarHBondContact NH2-OG 3.48Å; D732-S734 PolarHBondContact O-N 3.42Å; D732-S734 WeakPolarHBondContact OD1-CB 3.44Å; D732-S734 PolarHBondContact OD1-N 3.39Å; D732-S734 WeakPolarHBondContact OD2-CB 3.38Å; D732-S734 PolarHBondContact OD2-OG 3.38Å; S734-R738 VanDerWaalsContact O-CG 3.3Å; S734-R738 WeakPolarHBondContact O-CG 3.48Å; S734-R738 PolarHBondContact O-NE 2.98Å; S734-R738 PolarHBondContact OG-NH2 3.29Å
735	E	71.9	Confident	63.6	Low	59 Å²	59	74.2 Å²	74.2	28%	0.276	38%	0.376	S	S	.	.	H	α-helix	trans	-88.2	-44.2	-178.7	-61.5	-144.6	107.1	0	0	110.8	K480 D732 E733 E737 R738 D739	K480-E735 IonicContact NZ-OE1 3.07Å; K480-E735 PolarHBondContact NZ-OE1 3.4Å; K480-E735 IonicContact NZ-OE2 2.67Å; K480-E735 PolarHBondContact NZ-OE2 3.16Å; D732-E735 PolarHBondContact O-N 3.4Å; E733-E735 PolarHBondContact O-N 2.97Å; E735-E737 VanDerWaalsContact C-N 3.29Å; E735-E737 PolarHBondContact O-N 2.71Å; E735-R738 CarbonylContact O-C 3.59Å; E735-R738 WeakPolarHBondContact O-CA 3.46Å; E735-R738 WeakPolarHBondContact O-CB 3.4Å; E735-R738 PolarHBondContact O-N 3.36Å; E735-D739 PolarHBondContact O-N 3.26Å
736	N	77.6	Confident	65.7	Low	85 Å²	85	66.2 Å²	66.2	46%	0.455	35%	0.345	S	S	.	.	H	α-helix	trans	-59.8	-39.2	175	-68	0.5	0	0	0	111.7	E733 R738 Q740	E733-N736 PolarHBondContact O-N 3.4Å; N736-R738 VanDerWaalsContact C-N 3.34Å; N736-Q740 WeakPolarHBondContact O-CB 3.31Å; N736-Q740 WeakPolarHBondContact O-CG 3.5Å; N736-Q740 PolarHBondContact O-N 3.42Å
737	E	80.9	Confident	68	Low	8 Å²	8	55.3 Å²	55.3	4%	0.037	30%	0.304	C	S	.	.	H	α-helix	trans	-65.2	-33.8	172.9	-73.2	174.6	168.8	0	0	112.5	V513 K516 R517 R520 E733 E735 L741	V513-E737 HydrophobicContact CG1-CB 4.22Å; V513-E737 HydrophobicContact CG1-CG 4.35Å; K516-E737 WeakPolarHBondContact CD-OE1 3.1Å; K516-E737 WeakPolarHBondContact CE-OE1 3.17Å; K516-E737 WeakPolarHBondContact CG-OE1 3.21Å; K516-E737 IonicContact NZ-OE1 2.93Å; K516-E737 PolarHBondContact NZ-OE1 2.73Å; R517-E737 WeakPolarHBondContact CA-OE2 3.38Å; R517-E737 HydrophobicContact CB-CB 4.46Å; R520-E737 IonicContact CZ-OE2 3.44Å; R520-E737 IonicContact NE-OE2 3.26Å; R520-E737 PolarHBondContact NE-OE2 2.97Å; E733-E737 WeakPolarHBondContact O-CB 3.21Å; E733-E737 VanDerWaalsContact O-CG 3.31Å; E733-E737 WeakPolarHBondContact O-CG 3.38Å; E733-E737 PolarHBondContact O-N 3.49Å; E735-E737 VanDerWaalsContact C-N 3.29Å; E735-E737 PolarHBondContact O-N 2.71Å; E737-L741 WeakPolarHBondContact O-CB 3.41Å; E737-L741 WeakPolarHBondContact O-CD1 3.47Å; E737-L741 VanDerWaalsContact O-CG 3.25Å; E737-L741 WeakPolarHBondContact O-CG 3.36Å; E737-L741 PolarHBondContact O-N 3.32Å
738	R	79.4	Confident	70.2	Confident	92 Å²	92	52.2 Å²	52.2	35%	0.347	29%	0.285	S	S	.	.	H	α-helix	trans	-72.8	-43.3	175.4	-83.2	179.1	-107.5	-175.8	-4.6	112.1	S734 E735 N736 L741 A742	S734-R738 VanDerWaalsContact O-CG 3.3Å; S734-R738 WeakPolarHBondContact O-CG 3.48Å; S734-R738 PolarHBondContact O-NE 2.98Å; S734-R738 PolarHBondContact OG-NH2 3.29Å; E735-R738 CarbonylContact O-C 3.59Å; E735-R738 WeakPolarHBondContact O-CA 3.46Å; E735-R738 WeakPolarHBondContact O-CB 3.4Å; E735-R738 PolarHBondContact O-N 3.36Å; N736-R738 VanDerWaalsContact C-N 3.34Å; R738-L741 PolarHBondContact O-N 2.97Å; R738-A742 PolarHBondContact O-N 3.42Å
739	D	79.8	Confident	72.2	Confident	12 Å²	12	45 Å²	45	6%	0.064	25%	0.248	C	C	.	.	H	α-helix	trans	-71.1	-39.4	-178.1	-75.1	-18.2	0	0	0	111.3	R484 E735 L741 A742 V743	R484-D739 HydrophobicContact CG-CB 4.17Å; R484-D739 IonicContact CZ-OD1 3.47Å; R484-D739 IonicContact NE-OD1 3.93Å; R484-D739 PolarHBondContact NE-OD1 3.18Å; R484-D739 IonicContact NH2-OD1 3.06Å; R484-D739 PolarHBondContact NH2-OD1 3.46Å; E735-D739 PolarHBondContact O-N 3.26Å; D739-L741 PolarHBondContact O-N 2.89Å; D739-A742 PolarHBondContact O-N 3.39Å; D739-V743 WeakPolarHBondContact O-CG2 3.22Å; D739-V743 PolarHBondContact O-N 2.92Å
740	Q	82.9	Confident	74	Confident	44 Å²	44	39.1 Å²	39.1	21%	0.206	22%	0.217	C	C	.	.	H	α-helix	trans	-60.3	-43.5	170.2	-75.8	-177	32.2	0	0	112.2	M487 V513 N736 V743 I744	M487-Q740 HydrophobicContact CE-CG 4.08Å; M487-Q740 HydrophobicContact SD-CG 4.01Å; V513-Q740 HydrophobicContact CG1-CB 4.46Å; N736-Q740 WeakPolarHBondContact O-CB 3.31Å; N736-Q740 WeakPolarHBondContact O-CG 3.5Å; N736-Q740 PolarHBondContact O-N 3.42Å; Q740-V743 PolarHBondContact O-N 3.42Å; Q740-I744 WeakPolarHBondContact O-CD1 3.31Å; Q740-I744 VanDerWaalsContact O-CG1 3.23Å; Q740-I744 WeakPolarHBondContact O-CG1 3.46Å; Q740-I744 PolarHBondContact O-N 2.76Å
741	L	82.6	Confident	75.7	Confident	14 Å²	14	32.9 Å²	32.9	7%	0.073	18%	0.177	C	C	.	.	H	α-helix	trans	-64.2	-44.1	177.5	-74.6	169.3	0	0	0	112.1	R510 V513 S514 E737 R738 D739 V743 I744 D745	R510-L741 HydrophobicContact CG-CD2 4.23Å; V513-L741 HydrophobicContact CB-CD2 4.08Å; V513-L741 HydrophobicContact CB-CG 4.32Å; V513-L741 HydrophobicContact CG1-CD1 4.2Å; V513-L741 HydrophobicContact CG1-CD2 4.1Å; V513-L741 HydrophobicContact CG1-CG 3.77Å; S514-L741 WeakPolarHBondContact OG-CD2 3.45Å; E737-L741 WeakPolarHBondContact O-CB 3.41Å; E737-L741 WeakPolarHBondContact O-CD1 3.47Å; E737-L741 VanDerWaalsContact O-CG 3.25Å; E737-L741 WeakPolarHBondContact O-CG 3.36Å; E737-L741 PolarHBondContact O-N 3.32Å; R738-L741 PolarHBondContact O-N 2.97Å; D739-L741 PolarHBondContact O-N 2.89Å; L741-V743 VanDerWaalsContact C-N 3.33Å; L741-V743 PolarHBondContact O-N 3.16Å; L741-I744 PolarHBondContact O-N 3.1Å; L741-D745 VanDerWaalsContact O-CB 3.31Å; L741-D745 WeakPolarHBondContact O-CB 3.37Å; L741-D745 PolarHBondContact O-N 3.42Å
742	A	78.8	Confident	77.1	Confident	10 Å²	10	31 Å²	31	8%	0.083	16%	0.155	C	C	.	.	H	α-helix	trans	-62.8	-37.3	177.3	0	0	0	0	0	112.8	L452 Q455 R738 D739 S746	L452-A742 HydrophobicContact CD2-CB 4.4Å; L452-A742 WeakPolarHBondContact CD2-O 3.45Å; Q455-A742 PolarHBondContact OE1-O 3.25Å; Q455-A742 VanDerWaalsContact OE1-O 3.07Å; R738-A742 PolarHBondContact O-N 3.42Å; D739-A742 PolarHBondContact O-N 3.39Å; A742-S746 VanDerWaalsContact O-CB 3.23Å; A742-S746 WeakPolarHBondContact O-CB 3.23Å; A742-S746 PolarHBondContact O-N 2.88Å; A742-S746 PolarHBondContact O-OG 2.93Å
743	V	81.2	Confident	77.6	Confident	1 Å²	1	27.3 Å²	27.3	1%	0.006	14%	0.137	C	C	.	.	H	α-helix	trans	-64.1	-49.2	172.8	170.1	0	0	0	0	111.2	L452 R484 M487 A488 I491 D739 Q740 L741 S746 L747	L452-V743 HydrophobicContact CD2-CG2 4.05Å; R484-V743 HydrophobicContact CB-CG2 3.72Å; R484-V743 HydrophobicContact CG-CG2 3.97Å; R484-V743 WeakPolarHBondContact O-CG2 3.47Å; M487-V743 HydrophobicContact CB-CG1 4.43Å; M487-V743 HydrophobicContact CB-CG2 4.37Å; A488-V743 HydrophobicContact CB-CG1 3.99Å; I491-V743 HydrophobicContact CD1-CG1 3.94Å; D739-V743 WeakPolarHBondContact O-CG2 3.22Å; D739-V743 PolarHBondContact O-N 2.92Å; Q740-V743 PolarHBondContact O-N 3.42Å; L741-V743 VanDerWaalsContact C-N 3.33Å; L741-V743 PolarHBondContact O-N 3.16Å; V743-S746 PolarHBondContact O-N 3.43Å; V743-L747 HydrophobicContact CG1-CD1 4.02Å; V743-L747 WeakPolarHBondContact O-CG 3.46Å; V743-L747 PolarHBondContact O-N 3.42Å
744	I	82.6	Confident	77.8	Confident	4 Å²	4	25.6 Å²	25.6	2%	0.021	13%	0.128	C	C	.	.	H	α-helix	trans	-68.5	-41.3	-177.8	-61.2	160.1	0	0	0	111.4	L506 R509 R510 Q740 L741 S746 L747 L748	L506-I744 HydrophobicContact CB-CG2 4.42Å; L506-I744 WeakPolarHBondContact O-CG2 3.34Å; R509-I744 HydrophobicContact CB-CD1 4.26Å; R509-I744 HydrophobicContact CG-CD1 3.69Å; R510-I744 HydrophobicContact CB-CG2 3.74Å; R510-I744 HydrophobicContact CG-CG2 4.14Å; Q740-I744 WeakPolarHBondContact O-CD1 3.31Å; Q740-I744 VanDerWaalsContact O-CG1 3.23Å; Q740-I744 WeakPolarHBondContact O-CG1 3.46Å; Q740-I744 PolarHBondContact O-N 2.76Å; L741-I744 PolarHBondContact O-N 3.1Å; I744-S746 VanDerWaalsContact C-N 3.31Å; I744-S746 PolarHBondContact O-N 3.29Å; I744-L747 PolarHBondContact O-N 3.06Å; I744-L748 HydrophobicContact CG2-CD1 3.98Å; I744-L748 HydrophobicContact CG2-CG 4.35Å; I744-L748 WeakPolarHBondContact O-CG 3.32Å; I744-L748 PolarHBondContact O-N 2.93Å
745	D	79.7	Confident	77.5	Confident	47 Å²	47	27 Å²	27	25%	0.251	14%	0.141	S	C	.	.	H	α-helix	trans	-61.2	-39.3	173.8	-79.5	-31.2	0	0	0	111.5	R510 L741 A749	R510-D745 IonicContact CZ-OD1 2.75Å; R510-D745 IonicContact NE-OD1 2.78Å; R510-D745 PolarHBondContact NE-OD1 3.15Å; R510-D745 IonicContact NH2-OD1 3.19Å; R510-D745 PolarHBondContact NH2-OD1 2.74Å; R510-D745 IonicContact NH2-OD2 3.41Å; R510-D745 PolarHBondContact NH2-OD2 2.86Å; L741-D745 VanDerWaalsContact O-CB 3.31Å; L741-D745 WeakPolarHBondContact O-CB 3.37Å; L741-D745 PolarHBondContact O-N 3.42Å; D745-A749 VanDerWaalsContact O-CB 3.28Å; D745-A749 WeakPolarHBondContact O-CB 3.45Å; D745-A749 PolarHBondContact O-N 3.45Å
746	S	76.6	Confident	77	Confident	4 Å²	4	24.2 Å²	24.2	3%	0.028	13%	0.128	C	C	.	.	H	α-helix	trans	-68.4	-36.5	175.4	-61.8	0	0	0	0	112.9	L452 Q455 A742 V743 I744 L750	L452-S746 WeakPolarHBondContact CD2-OG 3.23Å; Q455-S746 PolarHBondContact NE2-OG 3.09Å; Q455-S746 PolarHBondContact OE1-OG 3.49Å; A742-S746 VanDerWaalsContact O-CB 3.23Å; A742-S746 WeakPolarHBondContact O-CB 3.23Å; A742-S746 PolarHBondContact O-N 2.88Å; A742-S746 PolarHBondContact O-OG 2.93Å; V743-S746 PolarHBondContact O-N 3.43Å; I744-S746 VanDerWaalsContact C-N 3.31Å; I744-S746 PolarHBondContact O-N 3.29Å; S746-L750 WeakPolarHBondContact O-CD1 3.27Å; S746-L750 WeakPolarHBondContact O-CG 3.44Å; S746-L750 PolarHBondContact O-N 2.95Å
747	L	79.6	Confident	75.9	Confident	3 Å²	3	26.2 Å²	26.2	2%	0.016	13%	0.133	C	C	.	.	H	α-helix	trans	-69.8	-44.6	175.4	-71.8	170.5	0	0	0	111.5	I491 E492 L506 V743 I744 A749 L750 Y751	I491-L747 HydrophobicContact CB-CD1 4.01Å; I491-L747 HydrophobicContact CD1-CD1 4.29Å; I491-L747 HydrophobicContact CG2-CD1 3.52Å; E492-L747 HydrophobicContact CG-CD2 4.18Å; L506-L747 HydrophobicContact CD1-CB 4.08Å; V743-L747 HydrophobicContact CG1-CD1 4.02Å; V743-L747 WeakPolarHBondContact O-CG 3.46Å; V743-L747 PolarHBondContact O-N 3.42Å; I744-L747 PolarHBondContact O-N 3.06Å; L747-A749 VanDerWaalsContact C-N 3.3Å; L747-A749 PolarHBondContact O-N 3.39Å; L747-L750 PolarHBondContact O-N 2.77Å; L747-Y751 HydrophobicContact CB-CD2 4.46Å; L747-Y751 HydrophobicContact CD2-CD2 4.12Å; L747-Y751 HydrophobicContact CD2-CE2 3.89Å; L747-Y751 WeakPolarHBondContact O-CB 3.4Å; L747-Y751 VanDerWaalsContact O-CD2 3.31Å; L747-Y751 WeakPolarHBondContact O-CD2 3.39Å; L747-Y751 PolarHBondContact O-N 2.78Å
748	L	81.1	Confident	74.2	Confident	10 Å²	10	32.5 Å²	32.5	5%	0.052	17%	0.167	C	C	.	.	H	α-helix	trans	-61.6	-39.3	175.5	-67.3	170	0	0	0	111.3	L503 L506 R507 I744 L750 Y751 D752 A755 S756	L503-L748 HydrophobicContact CD1-CD2 4.1Å; L506-L748 HydrophobicContact CB-CD2 3.99Å; R507-L748 HydrophobicContact CG-CD2 3.96Å; I744-L748 HydrophobicContact CG2-CD1 3.98Å; I744-L748 HydrophobicContact CG2-CG 4.35Å; I744-L748 WeakPolarHBondContact O-CG 3.32Å; I744-L748 PolarHBondContact O-N 2.93Å; L748-L750 PolarHBondContact O-N 2.75Å; L748-L750 VanDerWaalsContact O-N 3.09Å; L748-Y751 PolarHBondContact O-N 3.27Å; L748-D752 HydrophobicContact CB-CB 4.19Å; L748-D752 HydrophobicContact CD2-CB 3.97Å; L748-D752 WeakPolarHBondContact O-CB 3.43Å; L748-D752 PolarHBondContact O-N 2.89Å; L748-A755 HydrophobicContact CB-CB 4.24Å; L748-S756 PolarHBondContact O-OG 3.39Å
749	A	73	Confident	72.7	Confident	17 Å²	17	32.1 Å²	32.1	14%	0.14	17%	0.171	C	C	.	.	H	α-helix	trans	-65.6	-5.7	173.3	0	0	0	0	0	115.4	D745 L747 S756 L759	D745-A749 VanDerWaalsContact O-CB 3.28Å; D745-A749 WeakPolarHBondContact O-CB 3.45Å; D745-A749 PolarHBondContact O-N 3.45Å; L747-A749 VanDerWaalsContact C-N 3.3Å; L747-A749 PolarHBondContact O-N 3.39Å; A749-S756 PolarHBondContact O-OG 2.64Å; A749-L759 HydrophobicContact CB-CD1 3.75Å; A749-L759 HydrophobicContact CB-CD2 4.32Å
750	L	70.4	Confident	71.2	Confident	8 Å²	8	31.8 Å²	31.8	4%	0.042	17%	0.17	C	C	.	.	H	α-helix	trans	-114.1	-29.6	177	-73.4	168.6	0	0	0	113.3	A448 L451 S746 L747 L748 R765	A448-L750 HydrophobicContact CB-CD1 4.48Å; L451-L750 HydrophobicContact CD1-CD1 3.9Å; L451-L750 HydrophobicContact CD1-CD2 3.63Å; L451-L750 HydrophobicContact CD1-CG 3.64Å; S746-L750 WeakPolarHBondContact O-CD1 3.27Å; S746-L750 WeakPolarHBondContact O-CG 3.44Å; S746-L750 PolarHBondContact O-N 2.95Å; L747-L750 PolarHBondContact O-N 2.77Å; L748-L750 PolarHBondContact O-N 2.75Å; L748-L750 VanDerWaalsContact O-N 3.09Å; L750-R765 HydrophobicContact CB-CG 4.35Å; L750-R765 HydrophobicContact CD2-CG 4.34Å; L750-R765 PolarHBondContact O-N 2.92Å
751	Y	77.4	Confident	69.6	Low	23 Å²	23	31.8 Å²	31.8	9%	0.09	17%	0.173	C	C	.	.	H	α-helix	trans	-118.5	-21.8	-168.7	-70.1	-75	0	0	0	113.9	E492 F499 W502 L747 L748 P753 R765 V766	E492-Y751 PolarHBondContact OE1-OH 3.23Å; F499-Y751 HydrophobicContact CE2-CD1 4.17Å; F499-Y751 WeakPolarHBondContact CZ-O 3.44Å; W502-Y751 HydrophobicContact CH2-CD1 4.3Å; W502-Y751 AromaticContact CH2-CD2 3.85Å; W502-Y751 HydrophobicContact CH2-CD2 3.85Å; W502-Y751 HydrophobicContact CH2-CE2 4.21Å; W502-Y751 AromaticContact CH2-CG 3.93Å; W502-Y751 HydrophobicContact CH2-CG 3.93Å; W502-Y751 HydrophobicContact CZ3-CD1 4.13Å; W502-Y751 HydrophobicContact CZ3-CD2 4.25Å; W502-Y751 AromaticContact CZ3-CG 3.86Å; W502-Y751 HydrophobicContact CZ3-CG 3.86Å; L747-Y751 HydrophobicContact CB-CD2 4.46Å; L747-Y751 HydrophobicContact CD2-CD2 4.12Å; L747-Y751 HydrophobicContact CD2-CE2 3.89Å; L747-Y751 WeakPolarHBondContact O-CB 3.4Å; L747-Y751 VanDerWaalsContact O-CD2 3.31Å; L747-Y751 WeakPolarHBondContact O-CD2 3.39Å; L747-Y751 PolarHBondContact O-N 2.78Å; L748-Y751 PolarHBondContact O-N 3.27Å; Y751-P753 WeakPolarHBondContact O-CD 3.37Å; Y751-R765 HydrophobicContact CD1-CB 3.96Å; Y751-R765 HydrophobicContact CE1-CB 3.53Å; Y751-R765 HydrophobicContact CE1-CG 4.41Å; Y751-R765 VanDerWaalsContact CZ-CD 3.46Å; Y751-R765 VanDerWaalsContact OH-CD 3.24Å; Y751-R765 WeakPolarHBondContact OH-CD 3.42Å; Y751-R765 PolarHBondContact OH-NH1 3.49Å; Y751-R765 VanDerWaalsContact OH-NH1 3.15Å; Y751-V766 HydrophobicContact CD1-CG2 3.67Å; Y751-V766 HydrophobicContact CE1-CG2 4.31Å
752	D	78.2	Confident	68	Low	5 Å²	5	34.6 Å²	34.6	3%	0.027	19%	0.191	C	C	.	.			trans	-97.7	110.8	-176.8	-171.3	-32.4	0	0	0	110.6	L503 R507 L748 E754 A755 S756	L503-D752 HydrophobicContact CD1-CB 3.98Å; L503-D752 HydrophobicContact CD2-CB 4.24Å; L503-D752 HydrophobicContact CG-CB 4.47Å; R507-D752 IonicContact CZ-OD1 2.69Å; R507-D752 IonicContact CZ-OD2 2.76Å; R507-D752 IonicContact NE-OD2 3.81Å; R507-D752 PolarHBondContact NE-OD2 3.37Å; R507-D752 IonicContact NH2-OD1 3.73Å; R507-D752 PolarHBondContact NH2-OD1 2.91Å; R507-D752 IonicContact NH2-OD2 3.98Å; R507-D752 PolarHBondContact NH2-OD2 3.45Å; L748-D752 HydrophobicContact CB-CB 4.19Å; L748-D752 HydrophobicContact CD2-CB 3.97Å; L748-D752 WeakPolarHBondContact O-CB 3.43Å; L748-D752 PolarHBondContact O-N 2.89Å; D752-E754 PolarHBondContact O-N 3.41Å; D752-E754 VanDerWaalsContact O-N 3.17Å; D752-E754 WeakPolarHBondContact OD1-CA 3.46Å; D752-E754 VanDerWaalsContact OD1-CB 3.26Å; D752-E754 WeakPolarHBondContact OD1-CB 3.42Å; D752-E754 PolarHBondContact OD1-N 2.92Å; D752-A755 HydrophobicContact CB-CB 3.89Å; D752-A755 PolarHBondContact O-N 3.06Å; D752-A755 PolarHBondContact OD1-N 3.31Å; D752-A755 VanDerWaalsContact OD1-N 3.12Å; D752-S756 WeakPolarHBondContact O-CB 3.12Å; D752-S756 PolarHBondContact O-N 2.98Å; D752-S756 PolarHBondContact O-OG 3.36Å
753	P	74.4	Confident	66.9	Low	13 Å²	13	37.1 Å²	37.1	8%	0.084	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-14.5	179.4	-22.5	37.4	0	0	0	113.8	Y751 L764 L768 F771	Y751-P753 WeakPolarHBondContact O-CD 3.37Å; P753-L764 HydrophobicContact CB-CD1 3.8Å; P753-L764 HydrophobicContact CG-CD1 3.98Å; P753-L764 HydrophobicContact CG-CD2 4.35Å; P753-L768 HydrophobicContact CB-CD2 4.09Å; P753-L768 HydrophobicContact CG-CD2 4.06Å; P753-F771 HydrophobicContact CB-CD1 4.15Å; P753-F771 HydrophobicContact CB-CE1 4.13Å; P753-F771 HydrophobicContact CG-CB 4.08Å; P753-F771 HydrophobicContact CG-CD1 3.59Å; P753-F771 HydrophobicContact CG-CD2 4.06Å; P753-F771 HydrophobicContact CG-CE1 3.94Å; P753-F771 HydrophobicContact CG-CE2 4.38Å; P753-F771 HydrophobicContact CG-CG 3.62Å; P753-F771 HydrophobicContact CG-CZ 4.32Å
754	E	71.9	Confident	65.8	Low	64 Å²	64	38.4 Å²	38.4	30%	0.299	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-42.4	176.6	-50.8	-158.4	84.5	0	0	113	R507 D752 S756 K757 F771	R507-E754 IonicContact CZ-OE2 3.47Å; R507-E754 IonicContact NH1-OE2 3.18Å; R507-E754 PolarHBondContact NH1-OE2 3.19Å; R507-E754 IonicContact NH2-OE2 3.38Å; R507-E754 PolarHBondContact NH2-OE2 3.02Å; D752-E754 PolarHBondContact O-N 3.41Å; D752-E754 VanDerWaalsContact O-N 3.17Å; D752-E754 WeakPolarHBondContact OD1-CA 3.46Å; D752-E754 VanDerWaalsContact OD1-CB 3.26Å; D752-E754 WeakPolarHBondContact OD1-CB 3.42Å; D752-E754 PolarHBondContact OD1-N 2.92Å; E754-S756 VanDerWaalsContact C-N 3.3Å; E754-K757 VanDerWaalsContact O-CB 3.3Å; E754-K757 WeakPolarHBondContact O-CB 3.13Å; E754-K757 VanDerWaalsContact O-CD 3.26Å; E754-K757 WeakPolarHBondContact O-CD 3.48Å; E754-K757 WeakPolarHBondContact O-CG 3.35Å; E754-K757 PolarHBondContact O-N 3.25Å; E754-K757 IonicContact OE1-NZ 3.84Å; E754-K757 PolarHBondContact OE1-NZ 2.79Å; E754-F771 HydrophobicContact CG-CZ 4.05Å
755	A	66.7	Low	64.8	Low	43 Å²	43	41.1 Å²	41.1	36%	0.355	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-67.6	-36	170.5	0	0	0	0	0	110.8	L748 D752 K757	L748-A755 HydrophobicContact CB-CB 4.24Å; D752-A755 HydrophobicContact CB-CB 3.89Å; D752-A755 PolarHBondContact O-N 3.06Å; D752-A755 PolarHBondContact OD1-N 3.31Å; D752-A755 VanDerWaalsContact OD1-N 3.12Å; A755-K757 PolarHBondContact O-N 2.62Å; A755-K757 VanDerWaalsContact O-N 3.16Å
756	S	62.2	Low	64.3	Low	2 Å²	2	39.4 Å²	39.4	1%	0.014	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-75.4	4.5	177.7	-53.1	0	0	0	0	113.8	L748 A749 D752 E754 D758 L759 G760 L764	L748-S756 PolarHBondContact O-OG 3.39Å; A749-S756 PolarHBondContact O-OG 2.64Å; D752-S756 WeakPolarHBondContact O-CB 3.12Å; D752-S756 PolarHBondContact O-N 2.98Å; D752-S756 PolarHBondContact O-OG 3.36Å; E754-S756 VanDerWaalsContact C-N 3.3Å; S756-D758 PolarHBondContact O-N 2.83Å; S756-D758 VanDerWaalsContact O-N 3.13Å; S756-L759 PolarHBondContact O-N 2.87Å; S756-L759 VanDerWaalsContact O-N 3.12Å; S756-G760 PolarHBondContact O-N 2.95Å; S756-L764 WeakPolarHBondContact OG-CD2 3.5Å
757	K	55.4	Low	64.1	Low	126 Å²	126	45 Å²	45	55%	0.548	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-52.3	-29.9	166.2	-74.5	169.2	-171.9	151.1	0	111.1	K291 E754 A755	K291-K757 WeakPolarHBondContact CE-O 3.38Å; K291-K757 PolarHBondContact NZ-O 2.69Å; E754-K757 VanDerWaalsContact O-CB 3.3Å; E754-K757 WeakPolarHBondContact O-CB 3.13Å; E754-K757 VanDerWaalsContact O-CD 3.26Å; E754-K757 WeakPolarHBondContact O-CD 3.48Å; E754-K757 WeakPolarHBondContact O-CG 3.35Å; E754-K757 PolarHBondContact O-N 3.25Å; E754-K757 IonicContact OE1-NZ 3.84Å; E754-K757 PolarHBondContact OE1-NZ 2.79Å; A755-K757 PolarHBondContact O-N 2.62Å; A755-K757 VanDerWaalsContact O-N 3.16Å
758	D	45	Very low	64.1	Low	141 Å²	141	46.2 Å²	46.2	75%	0.754	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-29.2	176.5	-72.9	-26.5	0	0	0	114.9	K291 S756	K291-D758 WeakPolarHBondContact CD-O 3.45Å; K291-D758 WeakPolarHBondContact CE-O 3.36Å; K291-D758 PolarHBondContact NZ-O 3.48Å; S756-D758 PolarHBondContact O-N 2.83Å; S756-D758 VanDerWaalsContact O-N 3.13Å
759	L	46.8	Very low	64.1	Low	83 Å²	83	48 Å²	48	44%	0.435	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-53.5	173.6	-69.4	94.9	0	0	0	112	K291 A749 S756	K291-L759 WeakPolarHBondContact CD-O 3.33Å; K291-L759 PolarHBondContact NZ-O 2.97Å; K291-L759 VanDerWaalsContact NZ-O 3.1Å; A749-L759 HydrophobicContact CB-CD1 3.75Å; A749-L759 HydrophobicContact CB-CD2 4.32Å; S756-L759 PolarHBondContact O-N 2.87Å; S756-L759 VanDerWaalsContact O-N 3.12Å
760	G	47.7	Very low	64.5	Low	5 Å²	5	51 Å²	51	5%	0.052	27%	0.268	C	S	.	.			trans	126	146.8	-177.8	0	0	0	0	0	111.2	S756 T762	S756-G760 PolarHBondContact O-N 2.95Å; G760-T762 PolarHBondContact O-N 3.5Å
761	V	49.5	Very low	65.2	Low	44 Å²	44	50.8 Å²	50.8	27%	0.267	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-67.7	-16.6	-174.2	172.9	0	0	0	0	112.5	P279 L284 D763 L764 L768	P279-V761 HydrophobicContact CG-CG1 4.05Å; L284-V761 HydrophobicContact CD2-CB 3.56Å; L284-V761 HydrophobicContact CD2-CG1 3.77Å; V761-D763 VanDerWaalsContact C-N 3.25Å; V761-D763 PolarHBondContact O-N 3.37Å; V761-L764 HydrophobicContact CB-CD1 4.24Å; V761-L764 HydrophobicContact CG1-CD1 4.11Å; V761-L764 HydrophobicContact CG2-CD1 4.2Å; V761-L768 HydrophobicContact CG1-CD1 4.02Å
762	T	50.1	Low	65.7	Low	74 Å²	74	51.3 Å²	51.3	45%	0.454	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-63.5	-21.6	179.8	51.4	0	0	0	0	115.5	L284 G760	L284-T762 HydrophobicContact CB-CG2 3.95Å; L284-T762 HydrophobicContact CD2-CG2 4.23Å; G760-T762 PolarHBondContact O-N 3.5Å
763	D	54.9	Low	66.1	Low	63 Å²	63	53.4 Å²	53.4	34%	0.337	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-120.1	9.3	-173.9	-71.6	-89.4	0	0	0	113.3	R447 V761	R447-D763 IonicContact NH1-OD1 3.31Å; R447-D763 PolarHBondContact NH1-OD1 3.12Å; V761-D763 VanDerWaalsContact C-N 3.25Å; V761-D763 PolarHBondContact O-N 3.37Å
764	L	58.4	Low	66.9	Low	27 Å²	27	52.8 Å²	52.8	14%	0.141	27%	0.274	C	S	.	.			trans	-63.8	143.3	168.1	-80	167.1	0	0	0	110.8	P753 S756 V761	P753-L764 HydrophobicContact CB-CD1 3.8Å; P753-L764 HydrophobicContact CG-CD1 3.98Å; P753-L764 HydrophobicContact CG-CD2 4.35Å; S756-L764 WeakPolarHBondContact OG-CD2 3.5Å; V761-L764 HydrophobicContact CB-CD1 4.24Å; V761-L764 HydrophobicContact CG1-CD1 4.11Å; V761-L764 HydrophobicContact CG2-CD1 4.2Å
765	R	62.1	Low	67.8	Low	61 Å²	61	50 Å²	50	23%	0.23	26%	0.262	C	S	.	.	S	Bend	trans	-94.7	11.4	179.3	-66.6	-172.7	177.9	180	4	114.5	R444 E492 L750 Y751	R444-R765 PolarHBondContact O-NH2 3.5Å; E492-R765 IonicContact OE1-NH1 3.17Å; E492-R765 PolarHBondContact OE1-NH1 3.2Å; E492-R765 VanDerWaalsContact OE1-NH1 3.07Å; L750-R765 HydrophobicContact CB-CG 4.35Å; L750-R765 HydrophobicContact CD2-CG 4.34Å; L750-R765 PolarHBondContact O-N 2.92Å; Y751-R765 HydrophobicContact CD1-CB 3.96Å; Y751-R765 HydrophobicContact CE1-CB 3.53Å; Y751-R765 HydrophobicContact CE1-CG 4.41Å; Y751-R765 VanDerWaalsContact CZ-CD 3.46Å; Y751-R765 VanDerWaalsContact OH-CD 3.24Å; Y751-R765 WeakPolarHBondContact OH-CD 3.42Å; Y751-R765 PolarHBondContact OH-NH1 3.49Å; Y751-R765 VanDerWaalsContact OH-NH1 3.15Å
766	V	68	Low	69.1	Low	12 Å²	12	48 Å²	48	7%	0.073	25%	0.245	C	C	.	.	S	Bend	trans	-133.4	126.2	-172.6	162.4	0	0	0	0	108.2	F499 Y751 L768 Q770 F771	F499-V766 HydrophobicContact CD1-CG1 4.18Å; F499-V766 HydrophobicContact CD2-CG2 4.14Å; F499-V766 HydrophobicContact CE1-CB 4.45Å; F499-V766 HydrophobicContact CE1-CG1 3.77Å; F499-V766 HydrophobicContact CE1-CG2 4.07Å; F499-V766 HydrophobicContact CE2-CG2 3.48Å; F499-V766 VanDerWaalsContact CE2-CG2 3.48Å; F499-V766 HydrophobicContact CZ-CB 4.23Å; F499-V766 HydrophobicContact CZ-CG1 4.04Å; F499-V766 HydrophobicContact CZ-CG2 3.47Å; F499-V766 VanDerWaalsContact CZ-CG2 3.47Å; Y751-V766 HydrophobicContact CD1-CG2 3.67Å; Y751-V766 HydrophobicContact CE1-CG2 4.31Å; V766-L768 PolarHBondContact O-N 3.31Å; V766-Q770 HydrophobicContact CG1-CB 4.26Å; V766-F771 HydrophobicContact CG1-CB 4.09Å
767	D	73.8	Confident	70.5	Confident	121 Å²	121	48.7 Å²	48.7	65%	0.647	25%	0.248	S	C	*	.			trans	-63.9	132.4	169.4	-65.6	-58.3	0	0	0	109.1	D769 Q770 F771	D767-D769 WeakPolarHBondContact CB-OD1 3.38Å; D767-D769 PolarHBondContact O-N 3.2Å; D767-D769 VanDerWaalsContact O-N 3.1Å; D767-Q770 WeakPolarHBondContact O-CB 3.32Å; D767-Q770 PolarHBondContact O-N 2.83Å; D767-F771 PolarHBondContact O-N 2.95Å
768	L	78.9	Confident	72.4	Confident	28 Å²	28	43.9 Å²	43.9	15%	0.147	23%	0.229	C	C	.	.	H	α-helix	trans	-61.6	-25.7	-169.3	-74.5	169.2	0	0	0	113.2	F276 P279 P753 V761 V766 F771 Y772	F276-L768 HydrophobicContact CD2-CB 3.93Å; F276-L768 HydrophobicContact CE2-CB 3.61Å; P279-L768 VanDerWaalsContact CD-CD1 3.48Å; P279-L768 HydrophobicContact CG-CD1 4.14Å; P753-L768 HydrophobicContact CB-CD2 4.09Å; P753-L768 HydrophobicContact CG-CD2 4.06Å; V761-L768 HydrophobicContact CG1-CD1 4.02Å; V766-L768 PolarHBondContact O-N 3.31Å; L768-F771 PolarHBondContact O-N 2.98Å; L768-Y772 WeakPolarHBondContact O-CD2 3.35Å; L768-Y772 PolarHBondContact O-N 2.73Å
769	D	80.2	Confident	74.8	Confident	49 Å²	49	38.2 Å²	38.2	26%	0.262	20%	0.198	S	C	.	.	H	α-helix	trans	-60.7	-43.9	172.5	21.1	53.9	0	0	0	111.4	Q273 F276 K278 D767 F771 Y772 Q773	Q273-D769 PolarHBondContact NE2-O 3.34Å; Q273-D769 PolarHBondContact OE1-O 3.48Å; F276-D769 HydrophobicContact CE1-CB 3.94Å; F276-D769 HydrophobicContact CE2-CB 4.5Å; F276-D769 HydrophobicContact CZ-CB 3.55Å; K278-D769 VanDerWaalsContact CE-OD2 3.22Å; K278-D769 WeakPolarHBondContact CE-OD2 3.41Å; K278-D769 IonicContact NZ-OD2 3.62Å; K278-D769 PolarHBondContact NZ-OD2 3.44Å; D767-D769 WeakPolarHBondContact CB-OD1 3.38Å; D767-D769 PolarHBondContact O-N 3.2Å; D767-D769 VanDerWaalsContact O-N 3.1Å; D769-F771 VanDerWaalsContact C-N 3.34Å; D769-F771 PolarHBondContact O-N 2.99Å; D769-Y772 CarbonylContact O-C 3.59Å; D769-Y772 VanDerWaalsContact O-C 3.29Å; D769-Y772 WeakPolarHBondContact O-CA 3.44Å; D769-Y772 PolarHBondContact O-N 3.47Å; D769-Q773 PolarHBondContact O-N 3.44Å
770	Q	82.5	Confident	77	Confident	80 Å²	80	34.2 Å²	34.2	37%	0.374	18%	0.178	S	C	.	.	H	α-helix	trans	-62.9	-38.1	176.7	-169.8	-179.4	28.9	0	0	112.2	F499 V766 D767 Y772 Q773	F499-Q770 HydrophobicContact CB-CG 3.85Å; F499-Q770 HydrophobicContact CD1-CG 4.35Å; F499-Q770 HydrophobicContact CG-CG 4.18Å; V766-Q770 HydrophobicContact CG1-CB 4.26Å; D767-Q770 WeakPolarHBondContact O-CB 3.32Å; D767-Q770 PolarHBondContact O-N 2.83Å; Q770-Y772 VanDerWaalsContact C-N 3.27Å; Q770-Y772 PolarHBondContact O-N 3.31Å; Q770-Q773 PolarHBondContact O-N 3.39Å
771	F	84.8	Confident	79.1	Confident	2 Å²	2	34 Å²	34	1%	0.009	18%	0.175	C	C	.	.	H	α-helix	trans	-69	-23.7	172.5	174.8	-110.3	0	0	0	113.2	H229 F499 C500 L503 P753 E754 V766 D767 L768 D769	H229-F771 AromaticContact CE1-CE1 3.8Å; H229-F771 AromaticContact CE1-CE2 3.65Å; H229-F771 AromaticContact CE1-CZ 3.54Å; H229-F771 PolarHBondContact CE1-O 2.9Å; H229-F771 PolarHBondContact NE2-O 3.39Å; F499-F771 HydrophobicContact CE1-CB 4.24Å; F499-F771 HydrophobicContact CE1-CD2 4.12Å; C500-F771 PolarHBondContact SG-O 2.88Å; L503-F771 HydrophobicContact CD2-CD2 3.83Å; L503-F771 HydrophobicContact CD2-CE2 3.67Å; P753-F771 HydrophobicContact CB-CD1 4.15Å; P753-F771 HydrophobicContact CB-CE1 4.13Å; P753-F771 HydrophobicContact CG-CB 4.08Å; P753-F771 HydrophobicContact CG-CD1 3.59Å; P753-F771 HydrophobicContact CG-CD2 4.06Å; P753-F771 HydrophobicContact CG-CE1 3.94Å; P753-F771 HydrophobicContact CG-CE2 4.38Å; P753-F771 HydrophobicContact CG-CG 3.62Å; P753-F771 HydrophobicContact CG-CZ 4.32Å; E754-F771 HydrophobicContact CG-CZ 4.05Å; V766-F771 HydrophobicContact CG1-CB 4.09Å; D767-F771 PolarHBondContact O-N 2.95Å; L768-F771 PolarHBondContact O-N 2.98Å; D769-F771 VanDerWaalsContact C-N 3.34Å; D769-F771 PolarHBondContact O-N 2.99Å
772	Y	87.1	Confident	81.2	Confident	34 Å²	34	35.3 Å²	35.3	13%	0.133	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	13.3	174.1	-69.3	-65.3	0	0	0	113.2	R232 Q273 L274 F276 L768 D769 Q770	R232-Y772 VanDerWaalsContact NE-CE1 3.33Å; R232-Y772 PolarHBondContact NH2-OH 3.08Å; Q273-Y772 VanDerWaalsContact NE2-C 3.3Å; Q273-Y772 PolarHBondContact NE2-O 2.85Å; L274-Y772 VanDerWaalsContact CB-O 3.27Å; L274-Y772 WeakPolarHBondContact CB-O 3.22Å; L274-Y772 PolarHBondContact N-O 3.24Å; F276-Y772 HydrophobicContact CB-CD1 4.24Å; F276-Y772 HydrophobicContact CB-CD2 3.16Å; F276-Y772 HydrophobicContact CB-CE1 4.49Å; F276-Y772 HydrophobicContact CB-CE2 3.49Å; F276-Y772 VanDerWaalsContact CB-CE2 3.49Å; F276-Y772 HydrophobicContact CB-CG 3.58Å; F276-Y772 HydrophobicContact CD1-CD2 4.09Å; F276-Y772 HydrophobicContact CD1-CG 4.31Å; F276-Y772 AromaticContact CD2-CD2 3.56Å; F276-Y772 HydrophobicContact CD2-CD2 3.56Å; F276-Y772 HydrophobicContact CD2-CE2 4.02Å; F276-Y772 HydrophobicContact CE2-CD2 4.42Å; F276-Y772 AromaticContact CG-CD2 3.35Å; F276-Y772 HydrophobicContact CG-CD2 3.35Å; F276-Y772 HydrophobicContact CG-CE2 4.01Å; F276-Y772 AromaticContact CG-CG 3.93Å; F276-Y772 HydrophobicContact CG-CG 3.93Å; L768-Y772 WeakPolarHBondContact O-CD2 3.35Å; L768-Y772 PolarHBondContact O-N 2.73Å; D769-Y772 CarbonylContact O-C 3.59Å; D769-Y772 VanDerWaalsContact O-C 3.29Å; D769-Y772 WeakPolarHBondContact O-CA 3.44Å; D769-Y772 PolarHBondContact O-N 3.47Å; Q770-Y772 VanDerWaalsContact C-N 3.27Å; Q770-Y772 PolarHBondContact O-N 3.31Å
773	Q	88.6	Confident	83.3	Confident	50 Å²	50	31.8 Å²	31.8	23%	0.234	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	129.6	173.5	-176.6	170	86.2	0	0	110.1	V272 D769 Q770	V272-Q773 WeakPolarHBondContact O-CA 3.47Å; D769-Q773 PolarHBondContact O-N 3.44Å; Q770-Q773 PolarHBondContact O-N 3.39Å
774	I	89.9	Confident	85.2	Confident	0 Å²	0	29 Å²	29	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	151.5	174.6	64.5	173.3	0	0	0	111	L222 Y226 I233 V272 L274	L222-I774 HydrophobicContact CD1-CD1 4.39Å; Y226-I774 HydrophobicContact CD1-CG2 4.09Å; Y226-I774 HydrophobicContact CD2-CB 3.89Å; Y226-I774 HydrophobicContact CD2-CG2 3.72Å; Y226-I774 HydrophobicContact CE1-CB 4.43Å; Y226-I774 HydrophobicContact CE1-CG2 4.29Å; Y226-I774 HydrophobicContact CE2-CB 3.6Å; Y226-I774 HydrophobicContact CE2-CG2 3.94Å; Y226-I774 HydrophobicContact CG-CB 4.41Å; Y226-I774 HydrophobicContact CG-CG2 3.81Å; I233-I774 HydrophobicContact CG1-CD1 4.38Å; V272-I774 HydrophobicContact CB-CD1 4.45Å; V272-I774 HydrophobicContact CB-CG1 3.84Å; V272-I774 HydrophobicContact CG1-CG1 4.41Å; V272-I774 PolarHBondContact N-O 3.3Å; V272-I774 PolarHBondContact O-N 3.14Å; L274-I774 HydrophobicContact CD1-CD1 4.47Å; L274-I774 HydrophobicContact CD1-CG2 3.83Å; L274-I774 HydrophobicContact CD2-CD1 4.02Å; L274-I774 HydrophobicContact CD2-CG1 4.48Å; L274-I774 HydrophobicContact CG-CD1 4.37Å; L274-I774 HydrophobicContact CG-CG1 4.41Å; L274-I774 HydrophobicContact CG-CG2 4.35Å
775	H	91.1	Very high	86.9	Confident	6 Å²	6	27.7 Å²	27.7	3%	0.028	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	121	-179	-63.6	80.5	0	0	0	109.6	K225 Y226 T269 K271 E497 D498	K225-H775 WeakPolarHBondContact CE-O 3.5Å; K225-H775 PolarHBondContact NZ-O 3.32Å; Y226-H775 WeakPolarHBondContact OH-CA 3.25Å; Y226-H775 WeakPolarHBondContact OH-CB 3.31Å; Y226-H775 PolarHBondContact OH-N 2.9Å; Y226-H775 PolarHBondContact OH-O 2.79Å; T269-H775 HydrophobicContact CG2-CB 3.75Å; K271-H775 WeakPolarHBondContact CD-NE2 3.43Å; K271-H775 WeakPolarHBondContact CE-NE2 3.4Å; K271-H775 PolarHBondContact NZ-NE2 3.03Å; E497-H775 PolarHBondContact O-CE1 3.01Å; D498-H775 HydrophobicContact CB-CB 4.46Å; D498-H775 WeakPolarHBondContact CB-ND1 3.4Å; D498-H775 IonicContact OD1-CE1 2.74Å; D498-H775 IonicContact OD1-ND1 3.78Å; D498-H775 PolarHBondContact OD1-ND1 2.94Å; D498-H775 VanDerWaalsContact OD1-ND1 3.17Å; D498-H775 IonicContact OD2-CG 3.53Å; D498-H775 IonicContact OD2-ND1 3.37Å; D498-H775 PolarHBondContact OD2-ND1 3.28Å
776	V	93.7	Very high	88.5	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	117.3	178.2	-159.1	0	0	0	0	107.8	I218 L222 L241 T269 V270 V272 E779 L780	I218-V776 HydrophobicContact CD1-CG1 4.14Å; L222-V776 HydrophobicContact CD1-CG1 4.39Å; L222-V776 HydrophobicContact CD1-CG2 4.23Å; L222-V776 HydrophobicContact CD2-CG1 4.22Å; L222-V776 HydrophobicContact CD2-CG2 4.16Å; L241-V776 HydrophobicContact CD1-CG2 4.33Å; T269-V776 CarbonylContact C-O 3.36Å; T269-V776 WeakPolarHBondContact CA-O 3.45Å; V270-V776 HydrophobicContact CB-CB 4.45Å; V270-V776 PolarHBondContact N-O 2.8Å; V270-V776 PolarHBondContact O-N 3.02Å; V272-V776 HydrophobicContact CG2-CG2 3.76Å; V776-E779 HydrophobicContact CG1-CB 4.14Å; V776-L780 HydrophobicContact CB-CD2 4.38Å; V776-L780 HydrophobicContact CB-CG 4.34Å; V776-L780 HydrophobicContact CG1-CD1 4.42Å; V776-L780 HydrophobicContact CG1-CD2 3.66Å; V776-L780 HydrophobicContact CG1-CG 3.68Å
777	D	92.8	Very high	89.7	Confident	17 Å²	17	24.3 Å²	24.3	9%	0.091	12%	0.118	C	C	.	.	S	Bend	trans	-114.7	-123.9	-174	-56.9	-66.6	0	0	0	108.5	K225 W259 T269 E779 L780	K225-D777 IonicContact NZ-OD2 3.66Å; K225-D777 PolarHBondContact NZ-OD2 3.48Å; W259-D777 HydrophobicContact CE3-CB 4.32Å; W259-D777 VanDerWaalsContact CH2-C 3.44Å; W259-D777 HydrophobicContact CH2-CB 4.2Å; W259-D777 HydrophobicContact CZ3-CB 3.7Å; T269-D777 WeakPolarHBondContact CB-OD1 3.39Å; T269-D777 VanDerWaalsContact CG2-OD1 3.27Å; T269-D777 WeakPolarHBondContact CG2-OD1 3.49Å; T269-D777 PolarHBondContact OG1-OD1 3.49Å; D777-E779 WeakPolarHBondContact CA-OE2 3.27Å; D777-E779 PolarHBondContact N-OE2 3.39Å; D777-E779 PolarHBondContact O-N 2.84Å; D777-L780 PolarHBondContact O-N 2.67Å; D777-L780 VanDerWaalsContact O-N 3.09Å
778	T	94.4	Very high	90.8	Very high	25 Å²	25	19 Å²	19	15%	0.153	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-17	175.4	61.8	0	0	0	0	115	M256 W259 L780 R782	M256-T778 HydrophobicContact CE-CG2 4Å; M256-T778 HydrophobicContact SD-CG2 3.83Å; W259-T778 HydrophobicContact CB-CG2 3.89Å; W259-T778 HydrophobicContact CD2-CG2 3.58Å; W259-T778 HydrophobicContact CE3-CG2 3.95Å; W259-T778 HydrophobicContact CG-CG2 3.56Å; T778-L780 PolarHBondContact O-N 2.73Å; T778-R782 WeakPolarHBondContact O-CB 3.31Å; T778-R782 PolarHBondContact O-N 3.23Å
779	E	94.7	Very high	91.5	Very high	21 Å²	21	20.3 Å²	20.3	10%	0.098	10%	0.095	C	C	.	.	H	α-helix	trans	-63.1	-26.8	176.5	-55.4	80.1	-167.5	0	0	112.2	I218 L221 K225 V776 D777 S783	I218-E779 HydrophobicContact CG1-CB 4.28Å; L221-E779 HydrophobicContact CB-CB 4.27Å; L221-E779 HydrophobicContact CB-CG 3.76Å; L221-E779 HydrophobicContact CD1-CB 4.04Å; L221-E779 HydrophobicContact CD1-CG 4.06Å; L221-E779 HydrophobicContact CG-CG 4.48Å; K225-E779 VanDerWaalsContact CD-OE1 3.3Å; K225-E779 WeakPolarHBondContact CD-OE1 3.44Å; K225-E779 WeakPolarHBondContact CE-OE1 3.47Å; K225-E779 VanDerWaalsContact NZ-CD 3.29Å; K225-E779 IonicContact NZ-OE1 2.74Å; K225-E779 PolarHBondContact NZ-OE1 3.2Å; K225-E779 IonicContact NZ-OE2 2.87Å; K225-E779 PolarHBondContact NZ-OE2 3.24Å; V776-E779 HydrophobicContact CG1-CB 4.14Å; D777-E779 WeakPolarHBondContact CA-OE2 3.27Å; D777-E779 PolarHBondContact N-OE2 3.39Å; D777-E779 PolarHBondContact O-N 2.84Å; E779-S783 WeakPolarHBondContact O-CB 3.42Å; E779-S783 PolarHBondContact O-N 3.06Å; E779-S783 VanDerWaalsContact O-N 3.15Å
780	L	93.3	Very high	92.2	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-61.6	-62	175.2	-65.2	172.5	0	0	0	110.8	I218 C246 W247 V270 V776 D777 T778 S783	I218-L780 HydrophobicContact CD1-CD2 3.95Å; C246-L780 PolarHBondContact SG-O 3.33Å; C246-L780 VanDerWaalsContact SG-O 3.32Å; W247-L780 HydrophobicContact CE3-CB 4.35Å; W247-L780 HydrophobicContact CH2-CB 4.22Å; W247-L780 HydrophobicContact CH2-CD1 4.21Å; W247-L780 HydrophobicContact CZ3-CB 3.81Å; W247-L780 HydrophobicContact CZ3-CD1 3.74Å; W247-L780 HydrophobicContact CZ3-CG 4.4Å; V270-L780 HydrophobicContact CB-CD1 4.18Å; V270-L780 HydrophobicContact CG2-CD1 3.62Å; V776-L780 HydrophobicContact CB-CD2 4.38Å; V776-L780 HydrophobicContact CB-CG 4.34Å; V776-L780 HydrophobicContact CG1-CD1 4.42Å; V776-L780 HydrophobicContact CG1-CD2 3.66Å; V776-L780 HydrophobicContact CG1-CG 3.68Å; D777-L780 PolarHBondContact O-N 2.67Å; D777-L780 VanDerWaalsContact O-N 3.09Å; T778-L780 PolarHBondContact O-N 2.73Å; L780-S783 PolarHBondContact O-N 2.94Å; L780-S783 PolarHBondContact O-OG 3.47Å
781	M	92.2	Very high	92.7	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-61.2	-47.3	177.2	173.8	-177.2	51.9	0	0	112.2	W247 A249 Y252 E255 M256 S783 H784 E785	W247-M781 HydrophobicContact CZ2-CB 4.44Å; A249-M781 HydrophobicContact CB-CG 4.23Å; A249-M781 HydrophobicContact CB-SD 3.44Å; A249-M781 WeakPolarHBondContact CB-SD 3.37Å; Y252-M781 HydrophobicContact CD2-CE 3.82Å; Y252-M781 HydrophobicContact CD2-CG 3.99Å; Y252-M781 HydrophobicContact CD2-SD 3.69Å; Y252-M781 HydrophobicContact CE2-CE 3.9Å; Y252-M781 HydrophobicContact CE2-CG 4.39Å; Y252-M781 HydrophobicContact CE2-SD 4.31Å; E255-M781 HydrophobicContact CB-CE 4.29Å; E255-M781 HydrophobicContact CB-SD 4Å; E255-M781 VanDerWaalsContact CD-SD 3.57Å; E255-M781 HydrophobicContact CG-CE 4.47Å; E255-M781 HydrophobicContact CG-SD 4.25Å; E255-M781 VanDerWaalsContact OE1-SD 3.4Å; M256-M781 HydrophobicContact CG-CE 3.77Å; M256-M781 HydrophobicContact SD-CE 3.55Å; M256-M781 VanDerWaalsContact SD-CE 3.55Å; M781-S783 PolarHBondContact O-N 3.33Å; M781-S783 VanDerWaalsContact O-N 3.16Å; M781-H784 PolarHBondContact O-N 2.91Å; M781-E785 PolarHBondContact O-N 3.31Å
782	R	94.1	Very high	93	Very high	71 Å²	71	20.8 Å²	20.8	27%	0.268	10%	0.103	S	C	.	.	H	α-helix	trans	-62.2	-25.4	-175.6	-178.5	174.2	-70.2	170	0.3	113.2	M217 L221 Y252 T778 H784 F792	M217-R782 HydrophobicContact CE-CG 4.38Å; L221-R782 HydrophobicContact CD1-CB 4.41Å; L221-R782 HydrophobicContact CD1-CG 4.15Å; Y252-R782 HydrophobicContact CE2-CB 4.45Å; Y252-R782 PolarHBondContact OH-NE 2.87Å; Y252-R782 PolarHBondContact OH-NH2 3.19Å; T778-R782 WeakPolarHBondContact O-CB 3.31Å; T778-R782 PolarHBondContact O-N 3.23Å; R782-H784 PolarHBondContact O-N 2.91Å; R782-F792 HydrophobicContact CG-CD2 3.94Å; R782-F792 HydrophobicContact CG-CE2 4.01Å
783	S	93.9	Very high	93.1	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-58.9	-43.6	179.5	68.6	0	0	0	0	113	A214 C246 E779 L780 M781 V786	A214-S783 VanDerWaalsContact CA-O 3.27Å; A214-S783 WeakPolarHBondContact CA-O 3.47Å; A214-S783 VanDerWaalsContact CB-O 3.29Å; A214-S783 WeakPolarHBondContact CB-O 3.35Å; C246-S783 PolarHBondContact SG-OG 3.03Å; C246-S783 VanDerWaalsContact SG-OG 3.41Å; E779-S783 WeakPolarHBondContact O-CB 3.42Å; E779-S783 PolarHBondContact O-N 3.06Å; E779-S783 VanDerWaalsContact O-N 3.15Å; L780-S783 PolarHBondContact O-N 2.94Å; L780-S783 PolarHBondContact O-OG 3.47Å; M781-S783 PolarHBondContact O-N 3.33Å; M781-S783 VanDerWaalsContact O-N 3.16Å; S783-V786 VanDerWaalsContact O-CG1 3.27Å; S783-V786 WeakPolarHBondContact O-CG1 3.48Å
784	H	94	Very high	93.2	Very high	4 Å²	4	22.7 Å²	22.7	2%	0.019	13%	0.133	C	C	.	.	H	α-helix	trans	-94	-18.4	-175.4	-72	82.2	0	0	0	113.5	A242 C246 L248 M781 R782 V786 L787 L836	A242-H784 PolarHBondContact O-CE1 2.88Å; C246-H784 WeakPolarHBondContact CB-ND1 3.47Å; L248-H784 HydrophobicContact CD1-CB 4.11Å; M781-H784 PolarHBondContact O-N 2.91Å; R782-H784 PolarHBondContact O-N 2.91Å; H784-V786 PolarHBondContact O-N 3.29Å; H784-L787 WeakPolarHBondContact O-CB 3.4Å; H784-L787 PolarHBondContact O-N 3.44Å; H784-L836 HydrophobicContact CB-CD2 3.63Å
785	E	95.4	Very high	93.3	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-56.4	-22.3	171.1	-169.3	61.4	-149.4	0	0	112.1	Y252 M781 L787 F788 Q789 F792 R842	Y252-E785 HydrophobicContact CD1-CG 4.4Å; Y252-E785 HydrophobicContact CD2-CB 4.31Å; Y252-E785 HydrophobicContact CD2-CG 3.93Å; Y252-E785 HydrophobicContact CE2-CB 4.43Å; Y252-E785 HydrophobicContact CE2-CG 4.23Å; Y252-E785 HydrophobicContact CG-CG 4.03Å; M781-E785 PolarHBondContact O-N 3.31Å; E785-L787 PolarHBondContact O-N 3.47Å; E785-L787 VanDerWaalsContact O-N 3.09Å; E785-F788 CarbonylContact O-C 3.44Å; E785-F788 WeakPolarHBondContact O-CA 3.29Å; E785-F788 PolarHBondContact O-N 3.12Å; E785-Q789 HydrophobicContact CG-CG 4.44Å; E785-Q789 PolarHBondContact O-N 3.43Å; E785-F792 HydrophobicContact CB-CD2 4.33Å; E785-F792 HydrophobicContact CB-CE2 3.91Å; E785-F792 HydrophobicContact CG-CD2 4.35Å; E785-F792 HydrophobicContact CG-CE2 3.6Å; E785-F792 HydrophobicContact CG-CZ 4.17Å; E785-R842 IonicContact OE1-CZ 2.86Å; E785-R842 IonicContact OE1-NH1 3.52Å; E785-R842 PolarHBondContact OE1-NH1 2.91Å; E785-R842 IonicContact OE1-NH2 3.72Å; E785-R842 PolarHBondContact OE1-NH2 3.16Å; E785-R842 IonicContact OE2-CZ 2.72Å; E785-R842 IonicContact OE2-NH1 3.73Å; E785-R842 PolarHBondContact OE2-NH1 3.05Å; E785-R842 IonicContact OE2-NH2 2.79Å
786	V	94.4	Very high	93.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-18	174.5	82.2	0	0	0	0	114.4	S783 H784 F788 F792 M793	S783-V786 VanDerWaalsContact O-CG1 3.27Å; S783-V786 WeakPolarHBondContact O-CG1 3.48Å; H784-V786 PolarHBondContact O-N 3.29Å; V786-F788 VanDerWaalsContact C-N 3.28Å; V786-F792 HydrophobicContact CG2-CB 4.31Å; V786-M793 HydrophobicContact CG2-CB 4.05Å; V786-M793 HydrophobicContact CG2-CE 3.67Å; V786-M793 HydrophobicContact CG2-CG 3.92Å
787	L	94.6	Very high	93.3	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.01	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-26.8	171	-63.4	169.2	0	0	0	112	F175 H784 E785 L800 V833	F175-L787 HydrophobicContact CD1-CD1 4.32Å; F175-L787 HydrophobicContact CE1-CD1 4.38Å; H784-L787 WeakPolarHBondContact O-CB 3.4Å; H784-L787 PolarHBondContact O-N 3.44Å; E785-L787 PolarHBondContact O-N 3.47Å; E785-L787 VanDerWaalsContact O-N 3.09Å; L787-L800 WeakPolarHBondContact O-CB 3.42Å; L787-L800 PolarHBondContact O-N 3.16Å; L787-V833 HydrophobicContact CD1-CG1 4.07Å
788	F	95.5	Very high	93.4	Very high	9 Å²	9	34.1 Å²	34.1	4%	0.039	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	-27.5	-176.7	-63.1	-101	0	0	0	111.7	L248 E785 V786 G799 L800 L839 R842 I843 D846	L248-F788 HydrophobicContact CD1-CD2 4.24Å; L248-F788 HydrophobicContact CD1-CE2 4.25Å; L248-F788 HydrophobicContact CD2-CD2 3.98Å; L248-F788 HydrophobicContact CD2-CE2 3.28Å; L248-F788 HydrophobicContact CD2-CZ 3.59Å; L248-F788 HydrophobicContact CG-CE2 4.4Å; E785-F788 CarbonylContact O-C 3.44Å; E785-F788 WeakPolarHBondContact O-CA 3.29Å; E785-F788 PolarHBondContact O-N 3.12Å; V786-F788 VanDerWaalsContact C-N 3.28Å; F788-G799 WeakPolarHBondContact O-CA 3.4Å; F788-L800 HydrophobicContact CD1-CB 4.18Å; F788-L800 HydrophobicContact CE1-CB 4.19Å; F788-L800 HydrophobicContact CE1-CD2 3.72Å; F788-L800 HydrophobicContact CE1-CG 4.47Å; F788-L800 HydrophobicContact CE2-CD2 4.24Å; F788-L800 HydrophobicContact CZ-CD2 3.54Å; F788-L839 HydrophobicContact CE2-CD1 4.12Å; F788-L839 HydrophobicContact CZ-CD1 3.89Å; F788-R842 HydrophobicContact CD1-CG 4.26Å; F788-R842 HydrophobicContact CE1-CG 3.75Å; F788-R842 HydrophobicContact CZ-CG 3.98Å; F788-I843 HydrophobicContact CZ-CG1 4.35Å; F788-D846 VanDerWaalsContact CD1-OD2 3.31Å; F788-D846 WeakPolarHBondContact CD1-OD2 3.5Å
789	Q	94.6	Very high	93.4	Very high	57 Å²	57	33 Å²	33	27%	0.266	20%	0.203	S	C	.	.			trans	-131.6	77	177.2	-58.8	-170.7	-1.1	0	0	110.5	E785 S791 F792	E785-Q789 HydrophobicContact CG-CG 4.44Å; E785-Q789 PolarHBondContact O-N 3.43Å; Q789-S791 PolarHBondContact O-N 2.96Å; Q789-S791 VanDerWaalsContact O-N 3.08Å; Q789-F792 HydrophobicContact CB-CD1 4.21Å; Q789-F792 HydrophobicContact CB-CE1 4.15Å; Q789-F792 HydrophobicContact CB-CG 4.47Å; Q789-F792 HydrophobicContact CB-CZ 4.35Å; Q789-F792 WeakPolarHBondContact O-CB 3.49Å; Q789-F792 PolarHBondContact O-N 2.7Å
790	P	94.4	Very high	93.5	Very high	4 Å²	4	32 Å²	32	3%	0.026	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-59.7	-19.2	179.3	-24.8	36	0	0	0	114.1	T209 F792 M793 S795 E797	T209-P790 HydrophobicContact CG2-CB 4.11Å; T209-P790 HydrophobicContact CG2-CG 4.13Å; P790-F792 PolarHBondContact O-N 2.94Å; P790-F792 VanDerWaalsContact O-N 3.12Å; P790-M793 WeakPolarHBondContact O-CG 3.39Å; P790-M793 PolarHBondContact O-N 3.32Å; P790-S795 CarbonylContact C-O 3.58Å; P790-S795 PolarHBondContact O-N 3.27Å; P790-E797 WeakPolarHBondContact CG-O 3.27Å
791	S	93.2	Very high	93.5	Very high	79 Å²	79	33.2 Å²	33.2	55%	0.552	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	-55.4	-24.6	171	57.7	0	0	0	0	113.6	Q789 M793 G794 S795	Q789-S791 PolarHBondContact O-N 2.96Å; Q789-S791 VanDerWaalsContact O-N 3.08Å; S791-M793 PolarHBondContact O-N 2.71Å; S791-G794 PolarHBondContact O-N 2.88Å; S791-S795 WeakPolarHBondContact CA-O 3.43Å; S791-S795 PolarHBondContact N-O 2.97Å
792	F	90.2	Very high	93.6	Very high	58 Å²	58	37 Å²	37	25%	0.254	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-63.6	-25.1	175.1	-76.3	10.2	0	0	0	113.9	M217 Y252 R782 E785 V786 Q789 P790	M217-F792 HydrophobicContact CE-CB 4.02Å; M217-F792 WeakPolarHBondContact CE-O 3.23Å; Y252-F792 HydrophobicContact CE1-CE2 4.12Å; Y252-F792 AromaticContact CE1-CZ 3.65Å; Y252-F792 HydrophobicContact CE1-CZ 3.65Å; Y252-F792 HydrophobicContact CE2-CE2 4.31Å; Y252-F792 AromaticContact CZ-CE2 3.75Å; Y252-F792 AromaticContact CZ-CZ 3.74Å; R782-F792 HydrophobicContact CG-CD2 3.94Å; R782-F792 HydrophobicContact CG-CE2 4.01Å; E785-F792 HydrophobicContact CB-CD2 4.33Å; E785-F792 HydrophobicContact CB-CE2 3.91Å; E785-F792 HydrophobicContact CG-CD2 4.35Å; E785-F792 HydrophobicContact CG-CE2 3.6Å; E785-F792 HydrophobicContact CG-CZ 4.17Å; V786-F792 HydrophobicContact CG2-CB 4.31Å; Q789-F792 HydrophobicContact CB-CD1 4.21Å; Q789-F792 HydrophobicContact CB-CE1 4.15Å; Q789-F792 HydrophobicContact CB-CG 4.47Å; Q789-F792 HydrophobicContact CB-CZ 4.35Å; Q789-F792 WeakPolarHBondContact O-CB 3.49Å; Q789-F792 PolarHBondContact O-N 2.7Å; P790-F792 PolarHBondContact O-N 2.94Å; P790-F792 VanDerWaalsContact O-N 3.12Å
793	M	90.9	Very high	93.7	Very high	53 Å²	53	34.2 Å²	34.2	26%	0.261	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-96.8	3.5	171.1	63.8	157.5	72.9	0	0	113.1	T209 H213 W216 V786 P790 S791	T209-M793 HydrophobicContact CG2-CE 3.88Å; H213-M793 HydrophobicContact CB-CE 3.54Å; W216-M793 HydrophobicContact CZ3-CB 4.05Å; V786-M793 HydrophobicContact CG2-CB 4.05Å; V786-M793 HydrophobicContact CG2-CE 3.67Å; V786-M793 HydrophobicContact CG2-CG 3.92Å; P790-M793 WeakPolarHBondContact O-CG 3.39Å; P790-M793 PolarHBondContact O-N 3.32Å; S791-M793 PolarHBondContact O-N 2.71Å
794	G	90.4	Very high	93.8	Very high	71 Å²	71	34.3 Å²	34.3	73%	0.732	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.3	13.8	-171.5	0	0	0	0	0	114.7	S791	S791-G794 PolarHBondContact O-N 2.88Å
795	S	91.8	Very high	93.7	Very high	28 Å²	28	38.8 Å²	38.8	20%	0.196	24%	0.24	C	C	.	.			trans	-79.8	141.7	173.5	-177.1	0	0	0	0	111.1	P790 S791 E797	P790-S795 CarbonylContact C-O 3.58Å; P790-S795 PolarHBondContact O-N 3.27Å; S791-S795 WeakPolarHBondContact CA-O 3.43Å; S791-S795 PolarHBondContact N-O 2.97Å; S795-E797 VanDerWaalsContact C-N 3.35Å; S795-E797 PolarHBondContact OG-N 2.92Å
796	S	92.8	Very high	93.7	Very high	129 Å²	129	42.5 Å²	42.5	90%	0.902	26%	0.256	S	S	*	.			trans	-91	5.4	172.8	52.6	0	0	0	0	113.4
797	E	92.3	Very high	93.7	Very high	68 Å²	68	42.5 Å²	42.5	32%	0.318	26%	0.256	S	S	.	.	S	Bend	trans	-72.2	149.9	175.9	-75.1	173.9	-138.3	0	0	113	H208 P790 S795	H208-E797 WeakPolarHBondContact CB-OE1 3.32Å; H208-E797 VanDerWaalsContact CB-OE2 3.24Å; H208-E797 WeakPolarHBondContact CB-OE2 3.39Å; H208-E797 IonicContact CE1-OE1 3.09Å; H208-E797 IonicContact CG-OE1 3.84Å; H208-E797 IonicContact CG-OE2 4Å; H208-E797 PolarHBondContact N-OE2 2.73Å; H208-E797 VanDerWaalsContact ND1-CD 3.35Å; H208-E797 IonicContact ND1-OE1 3.82Å; H208-E797 PolarHBondContact ND1-OE1 3.21Å; H208-E797 IonicContact ND1-OE2 2.73Å; H208-E797 PolarHBondContact ND1-OE2 3.43Å; P790-E797 WeakPolarHBondContact CG-O 3.27Å; S795-E797 VanDerWaalsContact C-N 3.35Å; S795-E797 PolarHBondContact OG-N 2.92Å
798	A	94.2	Very high	93.5	Very high	37 Å²	37	42.6 Å²	42.6	31%	0.306	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-67.5	146.9	175.2	0	0	0	0	0	111.5	D802 F806	A798-D802 HydrophobicContact CB-CB 3.86Å; A798-F806 HydrophobicContact CB-CE2 4.46Å
799	G	95.1	Very high	93.3	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.01	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-75.7	173.5	179.3	0	0	0	0	0	113.5	F788 S801 D802 C803	F788-G799 WeakPolarHBondContact O-CA 3.4Å; G799-S801 VanDerWaalsContact C-N 3.26Å; G799-S801 PolarHBondContact O-N 3.27Å; G799-D802 PolarHBondContact N-OD2 3.18Å; G799-D802 PolarHBondContact O-N 3.25Å; G799-C803 WeakPolarHBondContact O-CB 3.42Å; G799-C803 PolarHBondContact O-N 3.35Å
800	L	96.2	Very high	93.1	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-53.8	-44.9	175	-171.4	72.9	0	0	0	111.5	I173 F175 T180 I182 L207 L787 F788 C803 L804 I843	I173-L800 HydrophobicContact CG2-CD1 4.24Å; F175-L800 HydrophobicContact CE1-CD1 4.46Å; F175-L800 HydrophobicContact CE1-CD2 4.01Å; F175-L800 HydrophobicContact CZ-CD2 3.92Å; T180-L800 HydrophobicContact CG2-CD1 4.1Å; I182-L800 HydrophobicContact CD1-CD1 3.95Å; I182-L800 HydrophobicContact CG1-CD1 4.2Å; L207-L800 HydrophobicContact CD1-CD1 4.32Å; L207-L800 HydrophobicContact CD2-CB 4.41Å; L787-L800 WeakPolarHBondContact O-CB 3.42Å; L787-L800 PolarHBondContact O-N 3.16Å; F788-L800 HydrophobicContact CD1-CB 4.18Å; F788-L800 HydrophobicContact CE1-CB 4.19Å; F788-L800 HydrophobicContact CE1-CD2 3.72Å; F788-L800 HydrophobicContact CE1-CG 4.47Å; F788-L800 HydrophobicContact CE2-CD2 4.24Å; F788-L800 HydrophobicContact CZ-CD2 3.54Å; L800-C803 CarbonylContact O-C 3.53Å; L800-C803 PolarHBondContact O-N 2.9Å; L800-L804 WeakPolarHBondContact O-CG 3.38Å; L800-L804 PolarHBondContact O-N 3.43Å; L800-I843 HydrophobicContact CD2-CD1 4.36Å; L800-I843 HydrophobicContact CD2-CG1 4.33Å
801	S	94	Very high	92.8	Very high	26 Å²	26	45.4 Å²	45.4	18%	0.182	27%	0.266	C	S	.	.	H	α-helix	trans	-58.9	-48.7	-179.1	-30.7	0	0	0	0	112.1	G799 C803 L804 E805 D846	G799-S801 VanDerWaalsContact C-N 3.26Å; G799-S801 PolarHBondContact O-N 3.27Å; S801-C803 VanDerWaalsContact C-N 3.33Å; S801-C803 PolarHBondContact O-N 2.93Å; S801-L804 WeakPolarHBondContact O-CB 3.27Å; S801-L804 PolarHBondContact O-N 3.01Å; S801-E805 PolarHBondContact O-N 2.79Å; S801-D846 WeakPolarHBondContact CB-OD2 3.47Å; S801-D846 PolarHBondContact OG-OD2 3.44Å
802	D	94.4	Very high	92.4	Very high	79 Å²	79	42.8 Å²	42.8	42%	0.422	25%	0.248	S	C	.	.	H	α-helix	trans	-64	-40.7	177.2	-46.7	-40.1	0	0	0	111.2	A798 G799 L804 E805 F806	A798-D802 HydrophobicContact CB-CB 3.86Å; G799-D802 PolarHBondContact N-OD2 3.18Å; G799-D802 PolarHBondContact O-N 3.25Å; D802-L804 VanDerWaalsContact C-N 3.31Å; D802-L804 PolarHBondContact O-N 3.47Å; D802-E805 WeakPolarHBondContact O-CB 3.28Å; D802-E805 PolarHBondContact O-N 2.97Å; D802-F806 HydrophobicContact CB-CE2 4.39Å; D802-F806 WeakPolarHBondContact O-CD2 3.42Å; D802-F806 PolarHBondContact O-N 2.84Å
803	C	95.8	Very high	92.1	Very high	13 Å²	13	46.6 Å²	46.6	9%	0.088	26%	0.261	C	S	.	.	H	α-helix	trans	-68	-28.4	177.6	-78.1	0	0	0	0	112.9	I182 L207 G799 L800 S801 V807	I182-C803 HydrophobicContact CD1-CB 3.69Å; L207-C803 HydrophobicContact CD1-CB 4.01Å; L207-C803 HydrophobicContact CD2-CB 4.37Å; L207-C803 HydrophobicContact CG-CB 4.37Å; G799-C803 WeakPolarHBondContact O-CB 3.42Å; G799-C803 PolarHBondContact O-N 3.35Å; L800-C803 CarbonylContact O-C 3.53Å; L800-C803 PolarHBondContact O-N 2.9Å; S801-C803 VanDerWaalsContact C-N 3.33Å; S801-C803 PolarHBondContact O-N 2.93Å; C803-V807 WeakPolarHBondContact O-CB 3.4Å; C803-V807 WeakPolarHBondContact O-CG2 3.49Å; C803-V807 PolarHBondContact O-N 2.87Å
804	L	95	Very high	91.8	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-63	-46.7	167.8	-67.6	169.4	0	0	0	110.7	L171 I173 I182 L800 S801 D802 F806 V807 L808 I847 L850	L171-L804 HydrophobicContact CD2-CD2 3.54Å; I173-L804 HydrophobicContact CD1-CD2 3.9Å; I182-L804 HydrophobicContact CD1-CD2 4.16Å; I182-L804 HydrophobicContact CD1-CG 4.43Å; I182-L804 HydrophobicContact CG2-CD2 4.37Å; L800-L804 WeakPolarHBondContact O-CG 3.38Å; L800-L804 PolarHBondContact O-N 3.43Å; S801-L804 WeakPolarHBondContact O-CB 3.27Å; S801-L804 PolarHBondContact O-N 3.01Å; D802-L804 VanDerWaalsContact C-N 3.31Å; D802-L804 PolarHBondContact O-N 3.47Å; L804-F806 PolarHBondContact O-N 2.79Å; L804-V807 PolarHBondContact O-N 2.88Å; L804-L808 WeakPolarHBondContact O-CB 3.35Å; L804-L808 WeakPolarHBondContact O-CG 3.24Å; L804-L808 PolarHBondContact O-N 3.41Å; L804-I847 HydrophobicContact CD1-CB 4.35Å; L804-I847 HydrophobicContact CD1-CG1 4.38Å; L804-I847 HydrophobicContact CD2-CD1 4.48Å; L804-L850 HydrophobicContact CB-CD1 3.98Å
805	E	93.5	Very high	91.2	Very high	98 Å²	98	45.8 Å²	45.8	46%	0.458	24%	0.24	S	C	.	.	H	α-helix	trans	-57.4	-49.1	176.9	-167.8	-161.1	132.8	0	0	111.3	S801 D802 V807 L808 R809 L850	S801-E805 PolarHBondContact O-N 2.79Å; D802-E805 WeakPolarHBondContact O-CB 3.28Å; D802-E805 PolarHBondContact O-N 2.97Å; E805-V807 VanDerWaalsContact C-N 3.35Å; E805-V807 PolarHBondContact O-N 2.93Å; E805-L808 PolarHBondContact O-N 3.45Å; E805-R809 WeakPolarHBondContact O-CB 3.44Å; E805-R809 PolarHBondContact O-N 3.01Å; E805-L850 HydrophobicContact CB-CD1 4.11Å; E805-L850 HydrophobicContact CB-CD2 4.19Å; E805-L850 HydrophobicContact CG-CD2 4.22Å
806	F	93.8	Very high	90.1	Very high	78 Å²	78	49.6 Å²	49.6	34%	0.342	26%	0.258	S	S	.	.	H	α-helix	trans	-58.8	-43.3	178.6	-70.4	-55.7	0	0	0	112.8	A798 D802 L804 D810	A798-F806 HydrophobicContact CB-CE2 4.46Å; D802-F806 HydrophobicContact CB-CE2 4.39Å; D802-F806 WeakPolarHBondContact O-CD2 3.42Å; D802-F806 PolarHBondContact O-N 2.84Å; L804-F806 PolarHBondContact O-N 2.79Å; F806-D810 VanDerWaalsContact O-CB 3.32Å; F806-D810 WeakPolarHBondContact O-CB 3.4Å; F806-D810 VanDerWaalsContact O-CG 3.27Å; F806-D810 PolarHBondContact O-N 2.8Å; F806-D810 VanDerWaalsContact O-N 3.08Å
807	V	94	Very high	88.7	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-67.2	-47.2	178.8	174.3	0	0	0	0	111	L171 I182 P184 A203 R205 C803 L804 E805 D810 T811	L171-V807 HydrophobicContact CD1-CG1 3.76Å; I182-V807 HydrophobicContact CB-CG2 4.03Å; I182-V807 HydrophobicContact CD1-CG2 4.36Å; I182-V807 HydrophobicContact CG2-CB 4.26Å; I182-V807 HydrophobicContact CG2-CG1 4.05Å; I182-V807 HydrophobicContact CG2-CG2 3.84Å; P184-V807 HydrophobicContact CB-CG1 4.2Å; P184-V807 HydrophobicContact CG-CG1 3.82Å; A203-V807 WeakPolarHBondContact O-CG2 3.38Å; R205-V807 HydrophobicContact CB-CG2 3.82Å; R205-V807 HydrophobicContact CG-CG2 3.47Å; R205-V807 VanDerWaalsContact CG-CG2 3.47Å; C803-V807 WeakPolarHBondContact O-CB 3.4Å; C803-V807 WeakPolarHBondContact O-CG2 3.49Å; C803-V807 PolarHBondContact O-N 2.87Å; L804-V807 PolarHBondContact O-N 2.88Å; E805-V807 VanDerWaalsContact C-N 3.35Å; E805-V807 PolarHBondContact O-N 2.93Å; V807-D810 PolarHBondContact O-N 3.2Å; V807-T811 WeakPolarHBondContact O-CB 3.44Å; V807-T811 PolarHBondContact O-N 3.12Å; V807-T811 PolarHBondContact O-OG1 3.25Å
808	L	91.8	Very high	87.2	Confident	5 Å²	5	49 Å²	49	3%	0.026	26%	0.261	C	S	.	.	H	α-helix	trans	-61.7	-46.7	-179.2	-68.3	170.4	0	0	0	111.3	L171 L804 E805 T811 S812 F823 P824 I847 L850 L851	L171-L808 HydrophobicContact CD2-CD2 4.34Å; L804-L808 WeakPolarHBondContact O-CB 3.35Å; L804-L808 WeakPolarHBondContact O-CG 3.24Å; L804-L808 PolarHBondContact O-N 3.41Å; E805-L808 PolarHBondContact O-N 3.45Å; L808-T811 PolarHBondContact O-N 2.94Å; L808-S812 PolarHBondContact O-N 3.17Å; L808-F823 HydrophobicContact CB-CD1 4.36Å; L808-F823 HydrophobicContact CB-CE1 4.17Å; L808-F823 HydrophobicContact CD2-CD1 4.15Å; L808-P824 VanDerWaalsContact CD2-CD 3.41Å; L808-P824 HydrophobicContact CD2-CG 3.57Å; L808-I847 HydrophobicContact CD1-CD1 4.18Å; L808-I847 HydrophobicContact CD1-CG1 4.03Å; L808-L850 HydrophobicContact CD1-CB 3.85Å; L808-L850 HydrophobicContact CD1-CD1 4.17Å; L808-L851 HydrophobicContact CD1-CD2 4.37Å; L808-L851 HydrophobicContact CD2-CD2 4.46Å
809	R	90.4	Very high	85.5	Confident	104 Å²	104	53.5 Å²	53.5	39%	0.392	29%	0.291	S	S	.	.	H	α-helix	trans	-62.5	-45.9	178.7	-175.7	-162.1	70.8	-170.3	1.6	112.5	E805 T811 S812 R813	E805-R809 WeakPolarHBondContact O-CB 3.44Å; E805-R809 PolarHBondContact O-N 3.01Å; R809-T811 VanDerWaalsContact C-N 3.35Å; R809-S812 PolarHBondContact O-N 2.78Å; R809-R813 PolarHBondContact O-N 3.05Å; R809-R813 VanDerWaalsContact O-N 3.16Å
810	D	90.6	Very high	84	Confident	18 Å²	18	58.6 Å²	58.6	10%	0.096	31%	0.314	C	S	.	.	H	α-helix	trans	-75.6	-27.6	-178.7	-67	-2.7	0	0	0	111.6	A203 R205 F806 V807 R813 L814	A203-D810 HydrophobicContact CB-CB 4.42Å; R205-D810 IonicContact CZ-OD2 3.7Å; R205-D810 IonicContact NH2-OD2 2.67Å; R205-D810 PolarHBondContact NH2-OD2 3.11Å; F806-D810 VanDerWaalsContact O-CB 3.32Å; F806-D810 WeakPolarHBondContact O-CB 3.4Å; F806-D810 VanDerWaalsContact O-CG 3.27Å; F806-D810 PolarHBondContact O-N 2.8Å; F806-D810 VanDerWaalsContact O-N 3.08Å; V807-D810 PolarHBondContact O-N 3.2Å; D810-R813 IonicContact OD1-CZ 3.45Å; D810-R813 IonicContact OD1-NH1 2.77Å; D810-R813 PolarHBondContact OD1-NH1 2.98Å; D810-R813 IonicContact OD1-NH2 3.83Å; D810-R813 PolarHBondContact OD1-NH2 3.44Å; D810-L814 WeakPolarHBondContact O-CG 3.46Å; D810-L814 PolarHBondContact O-N 3.15Å
811	T	88.3	Confident	82.6	Confident	6 Å²	6	61.2 Å²	61.2	4%	0.037	33%	0.331	C	S	.	.	H	α-helix	trans	-63.6	-45.7	168.8	-60.3	0	0	0	0	111.5	P184 I186 L200 A203 V807 L808 R809 L814 L815	P184-T811 HydrophobicContact CB-CG2 4.17Å; P184-T811 WeakPolarHBondContact CB-OG1 3.45Å; P184-T811 WeakPolarHBondContact CG-OG1 3.29Å; I186-T811 HydrophobicContact CD1-CG2 4.21Å; L200-T811 HydrophobicContact CD2-CG2 4.26Å; A203-T811 WeakPolarHBondContact CB-OG1 3.45Å; V807-T811 WeakPolarHBondContact O-CB 3.44Å; V807-T811 PolarHBondContact O-N 3.12Å; V807-T811 PolarHBondContact O-OG1 3.25Å; L808-T811 PolarHBondContact O-N 2.94Å; R809-T811 VanDerWaalsContact C-N 3.35Å; T811-L814 PolarHBondContact O-N 3.46Å; T811-L815 HydrophobicContact CG2-CD1 3.68Å; T811-L815 WeakPolarHBondContact O-CB 3.49Å; T811-L815 WeakPolarHBondContact O-CD1 3.15Å; T811-L815 VanDerWaalsContact O-CG 3.25Å; T811-L815 WeakPolarHBondContact O-CG 3.5Å; T811-L815 PolarHBondContact O-N 3.17Å
812	S	84.9	Confident	81.7	Confident	25 Å²	25	62.1 Å²	62.1	18%	0.175	33%	0.334	C	S	.	.	H	α-helix	trans	-58.2	-52.1	174.4	-166	0	0	0	0	110.7	L808 R809 L814 L815 D816	L808-S812 PolarHBondContact O-N 3.17Å; R809-S812 PolarHBondContact O-N 2.78Å; S812-L814 PolarHBondContact O-N 3.23Å; S812-L814 VanDerWaalsContact O-N 3.11Å; S812-L815 CarbonylContact O-C 3.41Å; S812-L815 VanDerWaalsContact O-C 3.25Å; S812-L815 WeakPolarHBondContact O-CA 3.37Å; S812-L815 PolarHBondContact O-N 2.86Å; S812-D816 VanDerWaalsContact C-OD1 3.31Å; S812-D816 VanDerWaalsContact O-CG 3.24Å; S812-D816 PolarHBondContact O-N 2.83Å; S812-D816 PolarHBondContact OG-OD1 2.89Å
813	R	85	Confident	81.1	Confident	137 Å²	137	60.1 Å²	60.1	52%	0.517	32%	0.322	S	S	.	.	H	α-helix	trans	-55.4	-36.2	-177.1	-165.5	-172.2	-57.8	102.8	5.5	113.8	R809 D810 L815 D816	R809-R813 PolarHBondContact O-N 3.05Å; R809-R813 VanDerWaalsContact O-N 3.16Å; D810-R813 IonicContact OD1-CZ 3.45Å; D810-R813 IonicContact OD1-NH1 2.77Å; D810-R813 PolarHBondContact OD1-NH1 2.98Å; D810-R813 IonicContact OD1-NH2 3.83Å; D810-R813 PolarHBondContact OD1-NH2 3.44Å; R813-L815 PolarHBondContact O-N 3.23Å; R813-D816 WeakPolarHBondContact CA-OD2 3.3Å
814	L	83.1	Confident	80.6	Confident	79 Å²	79	59.9 Å²	59.9	41%	0.414	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-5.4	178.8	-69.6	168.3	0	0	0	113.3	L200 Q202 A203 D810 T811 S812	L200-L814 HydrophobicContact CD1-CD1 4.16Å; L200-L814 HydrophobicContact CD2-CB 3.98Å; L200-L814 HydrophobicContact CD2-CD1 3.96Å; L200-L814 HydrophobicContact CG-CD1 4.18Å; Q202-L814 HydrophobicContact CB-CD1 3.84Å; A203-L814 HydrophobicContact CB-CD1 4.14Å; D810-L814 WeakPolarHBondContact O-CG 3.46Å; D810-L814 PolarHBondContact O-N 3.15Å; T811-L814 PolarHBondContact O-N 3.46Å; S812-L814 PolarHBondContact O-N 3.23Å; S812-L814 VanDerWaalsContact O-N 3.11Å
815	L	78.9	Confident	80.2	Confident	28 Å²	28	63.4 Å²	63.4	15%	0.147	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-132.7	16.4	-175.6	-56.4	171.8	0	0	0	113	I186 T811 S812 R813 S817 N822	I186-L815 HydrophobicContact CD1-CD1 3.79Å; I186-L815 HydrophobicContact CG1-CD1 3.66Å; I186-L815 HydrophobicContact CG2-CD1 4.33Å; T811-L815 HydrophobicContact CG2-CD1 3.68Å; T811-L815 WeakPolarHBondContact O-CB 3.49Å; T811-L815 WeakPolarHBondContact O-CD1 3.15Å; T811-L815 VanDerWaalsContact O-CG 3.25Å; T811-L815 WeakPolarHBondContact O-CG 3.5Å; T811-L815 PolarHBondContact O-N 3.17Å; S812-L815 CarbonylContact O-C 3.41Å; S812-L815 VanDerWaalsContact O-C 3.25Å; S812-L815 WeakPolarHBondContact O-CA 3.37Å; S812-L815 PolarHBondContact O-N 2.86Å; R813-L815 PolarHBondContact O-N 3.23Å; L815-S817 PolarHBondContact O-N 3.37Å; L815-N822 HydrophobicContact CB-CB 3.97Å; L815-N822 HydrophobicContact CD1-CB 3.67Å; L815-N822 HydrophobicContact CG-CB 4.49Å; L815-N822 PolarHBondContact O-ND2 3.45Å
816	D	67.7	Low	80.1	Confident	109 Å²	109	59.6 Å²	59.6	58%	0.583	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	27.3	-178.2	-77.9	-18.7	0	0	0	113.3	S812 R813	S812-D816 VanDerWaalsContact C-OD1 3.31Å; S812-D816 VanDerWaalsContact O-CG 3.24Å; S812-D816 PolarHBondContact O-N 2.83Å; S812-D816 PolarHBondContact OG-OD1 2.89Å; R813-D816 WeakPolarHBondContact CA-OD2 3.3Å
817	S	62.8	Low	80.1	Confident	125 Å²	125	55.9 Å²	55.9	87%	0.874	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-5.9	176	57.9	0	0	0	0	113.9	L815	L815-S817 PolarHBondContact O-N 3.37Å
818	S	61.8	Low	80.2	Confident	58 Å²	58	55.9 Å²	55.9	41%	0.406	30%	0.302	S	S	.	.	S	Bend	trans	-115.8	156.3	178.5	59.6	0	0	0	0	113.3	E820 N822	S818-E820 PolarHBondContact OG-O 2.95Å; S818-N822 PolarHBondContact OG-ND2 2.83Å
819	S	57.8	Low	80.4	Confident	133 Å²	133	55.7 Å²	55.7	93%	0.93	30%	0.3	S	S	*	.	S	Bend	trans	-82.3	-20.4	179.2	50.8	0	0	0	0	114.7
820	E	64.7	Low	80.7	Confident	108 Å²	108	50.9 Å²	50.9	51%	0.505	28%	0.283	S	S	.	.	S	Bend	trans	-91.1	143.1	161	-75.2	-158.3	140.8	0	0	110	S818 K856	S818-E820 PolarHBondContact OG-O 2.95Å; E820-K856 IonicContact OE1-NZ 3.92Å; E820-K856 PolarHBondContact OE1-NZ 3Å; E820-K856 IonicContact OE2-NZ 2.88Å; E820-K856 PolarHBondContact OE2-NZ 3.13Å
821	P	65.8	Low	80.9	Confident	55 Å²	55	50.6 Å²	50.6	36%	0.357	28%	0.284	S	S	.	.			trans	-77.1	129.8	178.4	32.1	-34.9	0	0	0	111	F823 P852 W857	P821-F823 HydrophobicContact CB-CD2 3.65Å; P821-F823 HydrophobicContact CB-CE2 3.62Å; P821-F823 HydrophobicContact CG-CD2 3.84Å; P821-F823 HydrophobicContact CG-CE2 4Å; P821-F823 PolarHBondContact O-N 3.27Å; P821-P852 HydrophobicContact CG-CG 4.45Å; P821-W857 HydrophobicContact CG-CH2 4.17Å; P821-W857 HydrophobicContact CG-CZ2 4.47Å
822	N	75.1	Confident	80.9	Confident	46 Å²	46	51.9 Å²	51.9	25%	0.246	30%	0.299	C	S	.	.			trans	-77.9	42.7	-173.1	-71.3	-57.6	0	0	0	114.5	L815 S818	L815-N822 HydrophobicContact CB-CB 3.97Å; L815-N822 HydrophobicContact CD1-CB 3.67Å; L815-N822 HydrophobicContact CG-CB 4.49Å; L815-N822 PolarHBondContact O-ND2 3.45Å; S818-N822 PolarHBondContact OG-ND2 2.83Å
823	F	82.8	Confident	81.3	Confident	37 Å²	37	51.4 Å²	51.4	16%	0.162	30%	0.295	C	S	.	.			trans	-65.4	149.8	173.4	-70.2	-65.9	0	0	0	111.9	L808 P821 L851 P852 W857	L808-F823 HydrophobicContact CB-CD1 4.36Å; L808-F823 HydrophobicContact CB-CE1 4.17Å; L808-F823 HydrophobicContact CD2-CD1 4.15Å; P821-F823 HydrophobicContact CB-CD2 3.65Å; P821-F823 HydrophobicContact CB-CE2 3.62Å; P821-F823 HydrophobicContact CG-CD2 3.84Å; P821-F823 HydrophobicContact CG-CE2 4Å; P821-F823 PolarHBondContact O-N 3.27Å; F823-L851 HydrophobicContact CB-CD2 4.21Å; F823-L851 HydrophobicContact CD1-CD2 4.18Å; F823-L851 HydrophobicContact CG-CD2 4.28Å; F823-P852 HydrophobicContact CD2-CG 3.48Å; F823-P852 VanDerWaalsContact CD2-CG 3.48Å; F823-P852 HydrophobicContact CE2-CG 3.42Å; F823-P852 VanDerWaalsContact CE2-CG 3.42Å; F823-P852 HydrophobicContact CZ-CG 4.43Å; F823-W857 HydrophobicContact CB-CZ2 4.41Å
824	P	85.5	Confident	81.7	Confident	8 Å²	8	45 Å²	45	5%	0.052	27%	0.271	C	S	.	.			trans	-62.2	142	173.8	28.3	-35.5	0	0	0	111	N169 L171 L808	N169-P824 WeakPolarHBondContact O-CA 3.27Å; L171-P824 HydrophobicContact CB-CB 3.94Å; L171-P824 HydrophobicContact CB-CG 4.03Å; L171-P824 HydrophobicContact CD2-CG 4.45Å; L808-P824 VanDerWaalsContact CD2-CD 3.41Å; L808-P824 HydrophobicContact CD2-CG 3.57Å
825	Q	85.9	Confident	82.1	Confident	74 Å²	74	44 Å²	44	35%	0.346	28%	0.275	S	S	.	.	S	Bend	trans	-95.5	-21.4	173.1	-63	170.5	9.5	0	0	111.1	A168 N169 E861	A168-Q825 HydrophobicContact CB-CB 4.49Å; A168-Q825 VanDerWaalsContact CB-OE1 3.27Å; N169-Q825 PolarHBondContact O-N 2.69Å; Q825-E861 PolarHBondContact O-N 3.12Å
826	R	90.7	Very high	82.8	Confident	18 Å²	18	43.5 Å²	43.5	7%	0.068	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	151.9	179.2	-52.1	-164.4	-74.3	-115.9	-0.1	111	D165 N169 C170 L171 E861	D165-R826 PolarHBondContact O-NH2 2.89Å; N169-R826 PolarHBondContact O-N 3.18Å; C170-R826 CarbonylContact C-O 3.58Å; C170-R826 WeakPolarHBondContact CA-O 3.44Å; L171-R826 PolarHBondContact N-O 3.39Å; R826-E861 CarbonylContact C-O 3.59Å; R826-E861 WeakPolarHBondContact CA-O 3.29Å; R826-E861 HydrophobicContact CB-CB 4.42Å; R826-E861 WeakPolarHBondContact CD-OE2 3.46Å; R826-E861 HydrophobicContact CG-CB 4.07Å; R826-E861 WeakPolarHBondContact CG-OE2 3.42Å
827	I	94.3	Very high	84.1	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	133	167.9	-46.4	-179.2	0	0	0	107.5	L171 I173 L829 I843 I847 I860 E861 V862 I863	L171-I827 HydrophobicContact CB-CG1 4.45Å; L171-I827 HydrophobicContact CB-CG2 4.37Å; L171-I827 CarbonylContact O-C 3.59Å; L171-I827 VanDerWaalsContact O-CA 3.29Å; L171-I827 WeakPolarHBondContact O-CA 3.14Å; L171-I827 VanDerWaalsContact O-CG2 3.29Å; L171-I827 WeakPolarHBondContact O-CG2 3.35Å; I173-I827 HydrophobicContact CD1-CG2 3.68Å; I173-I827 HydrophobicContact CG1-CG2 3.98Å; I827-L829 HydrophobicContact CG2-CD2 3.68Å; I827-I843 HydrophobicContact CD1-CG2 3.83Å; I827-I847 HydrophobicContact CD1-CD1 3.5Å; I827-I847 HydrophobicContact CD1-CG2 4.01Å; I827-I847 HydrophobicContact CG1-CD1 4.4Å; I827-I860 HydrophobicContact CD1-CD1 4.07Å; I827-I860 HydrophobicContact CG1-CD1 3.82Å; I827-I860 HydrophobicContact CG1-CG1 4.29Å; I827-E861 PolarHBondContact N-O 2.98Å; I827-V862 HydrophobicContact CB-CG1 4.35Å; I827-V862 HydrophobicContact CB-CG2 4.28Å; I827-V862 HydrophobicContact CD1-CG2 3.91Å; I827-V862 HydrophobicContact CG1-CG2 4.23Å; I827-I863 PolarHBondContact O-N 3.4Å
828	Y	95.4	Very high	85.6	Confident	1 Å²	1	36.8 Å²	36.8	0%	0.004	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	120.8	176.8	-178.2	-94.9	0	0	0	110.5	S154 Y155 F158 L171 L172 I173 T830 I863 A865	S154-Y828 PolarHBondContact O-OH 3.1Å; S154-Y828 PolarHBondContact OG-OH 3.25Å; Y155-Y828 AromaticContact CD2-CD1 3.88Å; Y155-Y828 HydrophobicContact CD2-CD1 3.88Å; Y155-Y828 HydrophobicContact CD2-CD2 4.27Å; Y155-Y828 HydrophobicContact CD2-CE1 4.41Å; Y155-Y828 AromaticContact CD2-CG 3.76Å; Y155-Y828 HydrophobicContact CD2-CG 3.76Å; Y155-Y828 HydrophobicContact CE2-CG 4.42Å; F158-Y828 HydrophobicContact CB-CD2 4.23Å; F158-Y828 HydrophobicContact CB-CE2 3.4Å; F158-Y828 VanDerWaalsContact CB-CE2 3.4Å; F158-Y828 AromaticContact CD1-CD2 3.9Å; F158-Y828 HydrophobicContact CD1-CD2 3.9Å; F158-Y828 AromaticContact CD1-CE2 3.93Å; F158-Y828 HydrophobicContact CD1-CE2 3.93Å; F158-Y828 HydrophobicContact CD2-CD2 4.26Å; F158-Y828 AromaticContact CD2-CE2 3.78Å; F158-Y828 HydrophobicContact CD2-CE2 3.78Å; F158-Y828 HydrophobicContact CE1-CD2 4.38Å; F158-Y828 AromaticContact CG-CD2 3.84Å; F158-Y828 HydrophobicContact CG-CD2 3.84Å; F158-Y828 AromaticContact CG-CE2 3.4Å; F158-Y828 HydrophobicContact CG-CE2 3.4Å; L171-Y828 PolarHBondContact O-N 3.35Å; L172-Y828 HydrophobicContact CD1-CD1 3.68Å; L172-Y828 HydrophobicContact CD1-CE1 4.35Å; I173-Y828 PolarHBondContact N-O 3Å; Y828-T830 HydrophobicContact CE1-CG2 4.29Å; Y828-I863 WeakPolarHBondContact CA-O 3.41Å; Y828-I863 HydrophobicContact CD2-CB 4.23Å; Y828-I863 HydrophobicContact CD2-CG2 3.92Å; Y828-I863 HydrophobicContact CE2-CG2 4.29Å; Y828-A865 HydrophobicContact CE1-CB 4.21Å; Y828-A865 HydrophobicContact CE2-CB 4.23Å; Y828-A865 WeakPolarHBondContact OH-CB 3.49Å
829	L	97.4	Very high	87.2	Confident	0 Å²	0	34 Å²	34	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	123.6	-175.3	-48.6	-176.8	0	0	0	110.3	I173 F175 I827 A834 V840 I843 V862 I863 V864 A865	I173-L829 HydrophobicContact CB-CD2 3.87Å; I173-L829 HydrophobicContact CD1-CD2 3.84Å; I173-L829 HydrophobicContact CG1-CD2 4.1Å; I173-L829 WeakPolarHBondContact O-CA 3.31Å; F175-L829 HydrophobicContact CE2-CD2 4.33Å; I827-L829 HydrophobicContact CG2-CD2 3.68Å; L829-A834 HydrophobicContact CB-CB 3.92Å; L829-V840 HydrophobicContact CD1-CG2 4.2Å; L829-I843 HydrophobicContact CD1-CD1 3.74Å; L829-I843 HydrophobicContact CD2-CD1 3.74Å; L829-I843 HydrophobicContact CG-CD1 4.43Å; L829-V862 HydrophobicContact CD1-CG1 3.76Å; L829-V862 HydrophobicContact CG-CG1 4.12Å; L829-I863 PolarHBondContact N-O 3.14Å; L829-V864 HydrophobicContact CD1-CG2 4.25Å; L829-A865 WeakPolarHBondContact O-CB 3.4Å; L829-A865 PolarHBondContact O-N 3.04Å
830	T	96.6	Very high	89	Confident	3 Å²	3	29.1 Å²	29.1	2%	0.018	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	168.2	-178.4	-174.6	0	0	0	0	112.1	C151 S154 L172 I173 S174 F175 Y828	C151-T830 HydrophobicContact CB-CG2 4.22Å; S154-T830 VanDerWaalsContact CB-OG1 3.31Å; S154-T830 WeakPolarHBondContact CB-OG1 3.42Å; S154-T830 PolarHBondContact OG-OG1 2.9Å; L172-T830 HydrophobicContact CD1-CG2 3.7Å; I173-T830 PolarHBondContact O-N 3.26Å; S174-T830 WeakPolarHBondContact CA-O 3.49Å; F175-T830 PolarHBondContact N-O 3.34Å; Y828-T830 HydrophobicContact CE1-CG2 4.29Å
831	G	93.5	Very high	90.4	Very high	12 Å²	12	27.5 Å²	27.5	12%	0.124	18%	0.176	C	C	.	.	S	Bend	trans	87.8	165.8	-173.7	0	0	0	0	0	112	V833 A834 P868	G831-V833 VanDerWaalsContact C-N 3.3Å; G831-V833 PolarHBondContact O-N 3.45Å; G831-A834 VanDerWaalsContact O-CB 3.25Å; G831-A834 WeakPolarHBondContact O-CB 3.49Å; G831-A834 PolarHBondContact O-N 3.36Å; G831-P868 CarbonylContact C-O 3.58Å; G831-P868 VanDerWaalsContact CA-O 3.29Å; G831-P868 WeakPolarHBondContact CA-O 3.4Å; G831-P868 PolarHBondContact N-O 3.12Å; G831-P868 VanDerWaalsContact O-CB 3.3Å; G831-P868 WeakPolarHBondContact O-CB 3.48Å
832	G	88.9	Confident	91.8	Very high	34 Å²	34	25.6 Å²	25.6	35%	0.351	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-57.8	-38.1	-166.8	0	0	0	0	0	114.5	F175 A834 A835 H869	F175-G832 PolarHBondContact O-N 3.43Å; G832-A834 VanDerWaalsContact C-N 3.26Å; G832-A834 PolarHBondContact O-N 3.06Å; G832-A835 PolarHBondContact O-N 3.34Å; G832-H869 WeakPolarHBondContact CA-NE2 3.37Å; G832-H869 PolarHBondContact O-CE1 3.1Å
833	V	93.1	Very high	92.8	Very high	14 Å²	14	23.4 Å²	23.4	9%	0.085	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-74.4	-14.1	-179.7	-156	0	0	0	0	112.7	F175 L787 G831 A835 L836 L839	F175-V833 HydrophobicContact CB-CB 3.66Å; F175-V833 HydrophobicContact CB-CG2 3.92Å; F175-V833 HydrophobicContact CD1-CB 4.47Å; F175-V833 HydrophobicContact CG-CB 4.14Å; L787-V833 HydrophobicContact CD1-CG1 4.07Å; G831-V833 VanDerWaalsContact C-N 3.3Å; G831-V833 PolarHBondContact O-N 3.45Å; V833-A835 PolarHBondContact O-N 3.15Å; V833-A835 VanDerWaalsContact O-N 3.12Å; V833-L836 HydrophobicContact CG1-CB 4.15Å; V833-L836 HydrophobicContact CG1-CD2 4.17Å; V833-L836 WeakPolarHBondContact O-CB 3.45Å; V833-L836 PolarHBondContact O-N 2.95Å; V833-L839 VanDerWaalsContact O-CD2 3.3Å; V833-L839 WeakPolarHBondContact O-CD2 3.34Å
834	A	94.7	Very high	93.3	Very high	2 Å²	2	26.6 Å²	26.6	2%	0.017	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-63.4	-18	176.1	0	0	0	0	0	113.2	F175 L829 G831 G832 L836 V864 P868	F175-A834 HydrophobicContact CD2-CB 4.22Å; L829-A834 HydrophobicContact CB-CB 3.92Å; G831-A834 VanDerWaalsContact O-CB 3.25Å; G831-A834 WeakPolarHBondContact O-CB 3.49Å; G831-A834 PolarHBondContact O-N 3.36Å; G832-A834 VanDerWaalsContact C-N 3.26Å; G832-A834 PolarHBondContact O-N 3.06Å; A834-L836 VanDerWaalsContact C-N 3.31Å; A834-V864 HydrophobicContact CB-CG1 4.33Å; A834-V864 WeakPolarHBondContact O-CG1 3.49Å; A834-P868 HydrophobicContact CB-CB 4.11Å; A834-P868 HydrophobicContact CB-CG 4.46Å
835	A	90.5	Very high	93.6	Very high	60 Å²	60	29.4 Å²	29.4	50%	0.496	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-82.1	-0.3	173.2	0	0	0	0	0	114.4	G832 V833 P868	G832-A835 PolarHBondContact O-N 3.34Å; V833-A835 PolarHBondContact O-N 3.15Å; V833-A835 VanDerWaalsContact O-N 3.12Å; A835-P868 HydrophobicContact CB-CG 4.48Å
836	L	93.6	Very high	94	Very high	17 Å²	17	27.5 Å²	27.5	9%	0.089	17%	0.172	C	C	.	.			trans	-66.8	125.5	-177.4	-176.6	73.5	0	0	0	111.6	C246 L248 H784 V833 A834 G838 L839	C246-L836 HydrophobicContact CB-CD1 4.29Å; C246-L836 WeakPolarHBondContact O-CD1 3.37Å; L248-L836 HydrophobicContact CB-CD2 3.87Å; H784-L836 HydrophobicContact CB-CD2 3.63Å; V833-L836 HydrophobicContact CG1-CB 4.15Å; V833-L836 HydrophobicContact CG1-CD2 4.17Å; V833-L836 WeakPolarHBondContact O-CB 3.45Å; V833-L836 PolarHBondContact O-N 2.95Å; A834-L836 VanDerWaalsContact C-N 3.31Å; L836-G838 PolarHBondContact O-N 3.33Å; L836-L839 HydrophobicContact CB-CB 4.25Å; L836-L839 HydrophobicContact CB-CD2 4.47Å; L836-L839 VanDerWaalsContact O-CB 3.24Å; L836-L839 WeakPolarHBondContact O-CB 3.3Å; L836-L839 PolarHBondContact O-N 2.77Å
837	P	94.5	Very high	94	Very high	64 Å²	64	26.7 Å²	26.7	42%	0.416	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	137.8	176.9	-25.8	35.1	0	0	0	112.8	W247 L248 L839	W247-P837 WeakPolarHBondContact CA-O 3.36Å; W247-P837 HydrophobicContact CB-CB 4.06Å; L248-P837 PolarHBondContact N-O 3.02Å; P837-L839 PolarHBondContact O-N 3.32Å
838	G	94.8	Very high	93.9	Very high	28 Å²	28	30 Å²	30	29%	0.289	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.6	-11.6	180	0	0	0	0	0	115.8	L248 L836 V840 D841 R842	L248-G838 WeakPolarHBondContact O-CA 3.33Å; L836-G838 PolarHBondContact O-N 3.33Å; G838-V840 VanDerWaalsContact C-N 3.32Å; G838-V840 PolarHBondContact O-N 3.44Å; G838-D841 PolarHBondContact O-N 3.26Å; G838-R842 PolarHBondContact O-N 3.34Å
839	L	95.7	Very high	93.8	Very high	1 Å²	1	35 Å²	35	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-57.5	-42.3	179.6	179.3	64.5	0	0	0	113	F175 L248 F788 V833 L836 P837 D841 R842 I843	F175-L839 HydrophobicContact CD2-CD2 4.37Å; F175-L839 HydrophobicContact CE2-CD2 3.88Å; F175-L839 HydrophobicContact CZ-CD1 4.19Å; F175-L839 HydrophobicContact CZ-CD2 4.1Å; L248-L839 HydrophobicContact CD2-CD1 3.73Å; F788-L839 HydrophobicContact CE2-CD1 4.12Å; F788-L839 HydrophobicContact CZ-CD1 3.89Å; V833-L839 VanDerWaalsContact O-CD2 3.3Å; V833-L839 WeakPolarHBondContact O-CD2 3.34Å; L836-L839 HydrophobicContact CB-CB 4.25Å; L836-L839 HydrophobicContact CB-CD2 4.47Å; L836-L839 VanDerWaalsContact O-CB 3.24Å; L836-L839 WeakPolarHBondContact O-CB 3.3Å; L836-L839 PolarHBondContact O-N 2.77Å; P837-L839 PolarHBondContact O-N 3.32Å; L839-D841 PolarHBondContact O-N 3.01Å; L839-R842 PolarHBondContact O-N 3.29Å; L839-I843 HydrophobicContact CD1-CD1 3.81Å; L839-I843 HydrophobicContact CD1-CG1 4.23Å; L839-I843 HydrophobicContact CG-CD1 3.86Å; L839-I843 WeakPolarHBondContact O-CB 3.36Å; L839-I843 WeakPolarHBondContact O-CG1 3.22Å; L839-I843 PolarHBondContact O-N 2.9Å
840	V	95.4	Very high	93.5	Very high	29 Å²	29	37.4 Å²	37.4	18%	0.176	23%	0.227	C	C	.	.	H	α-helix	trans	-59.7	-46.7	179.4	176.9	0	0	0	0	111.2	L829 G838 I843 R844 V862 V864	L829-V840 HydrophobicContact CD1-CG2 4.2Å; G838-V840 VanDerWaalsContact C-N 3.32Å; G838-V840 PolarHBondContact O-N 3.44Å; V840-I843 PolarHBondContact O-N 3.37Å; V840-R844 VanDerWaalsContact CG1-CZ 3.4Å; V840-R844 WeakPolarHBondContact O-CG 2.91Å; V840-R844 PolarHBondContact O-N 2.87Å; V840-V862 HydrophobicContact CG1-CB 4.02Å; V840-V862 HydrophobicContact CG1-CG1 3.87Å; V840-V864 HydrophobicContact CG2-CG2 3.41Å; V840-V864 VanDerWaalsContact CG2-CG2 3.41Å
841	D	94.6	Very high	93.2	Very high	74 Å²	74	37.8 Å²	37.8	40%	0.396	23%	0.229	S	C	.	.	H	α-helix	trans	-75.3	-34.9	-175.6	-60	-49.4	0	0	0	111.7	G838 L839 R844 C845	G838-D841 PolarHBondContact O-N 3.26Å; L839-D841 PolarHBondContact O-N 3.01Å; D841-R844 PolarHBondContact O-N 3.43Å; D841-R844 IonicContact OD1-CZ 3.63Å; D841-R844 IonicContact OD1-NH1 2.68Å; D841-R844 PolarHBondContact OD1-NH1 2.84Å; D841-C845 PolarHBondContact O-N 2.97Å; D841-C845 PolarHBondContact O-SG 3.45Å
842	R	95.2	Very high	92.9	Very high	16 Å²	16	39.1 Å²	39.1	6%	0.06	24%	0.235	C	C	.	.	H	α-helix	trans	-61.7	-44.3	168.8	178.9	56.3	176.4	-75.8	-7.8	112.1	L248 A249 E785 F788 G838 L839 R844 C845 D846	L248-R842 HydrophobicContact CD2-CB 3.76Å; L248-R842 HydrophobicContact CD2-CG 3.65Å; L248-R842 HydrophobicContact CG-CB 4.38Å; L248-R842 HydrophobicContact CG-CG 4.29Å; A249-R842 PolarHBondContact O-NH1 2.96Å; A249-R842 VanDerWaalsContact O-NH1 3.08Å; E785-R842 IonicContact OE1-CZ 2.86Å; E785-R842 IonicContact OE1-NH1 3.52Å; E785-R842 PolarHBondContact OE1-NH1 2.91Å; E785-R842 IonicContact OE1-NH2 3.72Å; E785-R842 PolarHBondContact OE1-NH2 3.16Å; E785-R842 IonicContact OE2-CZ 2.72Å; E785-R842 IonicContact OE2-NH1 3.73Å; E785-R842 PolarHBondContact OE2-NH1 3.05Å; E785-R842 IonicContact OE2-NH2 2.79Å; F788-R842 HydrophobicContact CD1-CG 4.26Å; F788-R842 HydrophobicContact CE1-CG 3.75Å; F788-R842 HydrophobicContact CZ-CG 3.98Å; G838-R842 PolarHBondContact O-N 3.34Å; L839-R842 PolarHBondContact O-N 3.29Å; R842-R844 VanDerWaalsContact C-N 3.32Å; R842-R844 PolarHBondContact O-N 3.26Å; R842-C845 PolarHBondContact O-N 3.2Å; R842-D846 VanDerWaalsContact CD-OD1 3.28Å; R842-D846 WeakPolarHBondContact CD-OD1 3.43Å; R842-D846 IonicContact CZ-OD2 2.81Å; R842-D846 VanDerWaalsContact NE-CG 3.34Å; R842-D846 IonicContact NE-OD1 2.66Å; R842-D846 PolarHBondContact NE-OD1 3.14Å; R842-D846 IonicContact NE-OD2 2.67Å; R842-D846 PolarHBondContact NE-OD2 3.34Å; R842-D846 VanDerWaalsContact NE-OD2 3.09Å; R842-D846 IonicContact NH2-OD2 3.89Å; R842-D846 WeakPolarHBondContact O-CB 3.44Å; R842-D846 PolarHBondContact O-N 3.11Å
843	I	95.2	Very high	92.8	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-63.5	-38.4	176.8	-72.9	171.4	0	0	0	111.2	I173 F175 F788 L800 I827 L829 L839 V840 D846 I847 V862	I173-I843 HydrophobicContact CD1-CD1 4.49Å; F175-I843 HydrophobicContact CE2-CD1 4.47Å; F175-I843 HydrophobicContact CZ-CD1 4.11Å; F788-I843 HydrophobicContact CZ-CG1 4.35Å; L800-I843 HydrophobicContact CD2-CD1 4.36Å; L800-I843 HydrophobicContact CD2-CG1 4.33Å; I827-I843 HydrophobicContact CD1-CG2 3.83Å; L829-I843 HydrophobicContact CD1-CD1 3.74Å; L829-I843 HydrophobicContact CD2-CD1 3.74Å; L829-I843 HydrophobicContact CG-CD1 4.43Å; L839-I843 HydrophobicContact CD1-CD1 3.81Å; L839-I843 HydrophobicContact CD1-CG1 4.23Å; L839-I843 HydrophobicContact CG-CD1 3.86Å; L839-I843 WeakPolarHBondContact O-CB 3.36Å; L839-I843 WeakPolarHBondContact O-CG1 3.22Å; L839-I843 PolarHBondContact O-N 2.9Å; V840-I843 PolarHBondContact O-N 3.37Å; I843-D846 PolarHBondContact O-N 3.15Å; I843-I847 WeakPolarHBondContact O-CB 3.49Å; I843-I847 WeakPolarHBondContact O-CG2 3.38Å; I843-I847 PolarHBondContact O-N 3.49Å; I843-V862 HydrophobicContact CG2-CG1 4.38Å
844	R	93.6	Very high	92.4	Very high	103 Å²	103	43.4 Å²	43.4	39%	0.389	26%	0.257	S	S	.	.	H	α-helix	trans	-60.9	-47	171.6	-71.7	171.1	179.5	146	0.8	111.9	V840 D841 R842 R848 V862	V840-R844 VanDerWaalsContact CG1-CZ 3.4Å; V840-R844 WeakPolarHBondContact O-CG 2.91Å; V840-R844 PolarHBondContact O-N 2.87Å; D841-R844 PolarHBondContact O-N 3.43Å; D841-R844 IonicContact OD1-CZ 3.63Å; D841-R844 IonicContact OD1-NH1 2.68Å; D841-R844 PolarHBondContact OD1-NH1 2.84Å; R842-R844 VanDerWaalsContact C-N 3.32Å; R842-R844 PolarHBondContact O-N 3.26Å; R844-R848 VanDerWaalsContact O-CB 3.24Å; R844-R848 WeakPolarHBondContact O-CB 3.33Å; R844-R848 PolarHBondContact O-N 3.46Å; R844-V862 HydrophobicContact CG-CB 4.35Å; R844-V862 HydrophobicContact CG-CG2 3.66Å
845	C	92.7	Very high	91.9	Very high	67 Å²	67	49.3 Å²	49.3	45%	0.453	30%	0.295	S	S	.	.	H	α-helix	trans	-60.5	-44.6	177.6	-73.1	0	0	0	0	112.5	D841 R842 P849	D841-C845 PolarHBondContact O-N 2.97Å; D841-C845 PolarHBondContact O-SG 3.45Å; R842-C845 PolarHBondContact O-N 3.2Å; C845-P849 WeakPolarHBondContact O-CD 3.08Å
846	D	92.6	Very high	91.4	Very high	35 Å²	35	50.7 Å²	50.7	19%	0.187	29%	0.29	C	S	.	.	H	α-helix	trans	-76.7	-35	-175.7	-75.3	21.3	0	0	0	112.5	F788 S801 R842 I843	F788-D846 VanDerWaalsContact CD1-OD2 3.31Å; F788-D846 WeakPolarHBondContact CD1-OD2 3.5Å; S801-D846 WeakPolarHBondContact CB-OD2 3.47Å; S801-D846 PolarHBondContact OG-OD2 3.44Å; R842-D846 VanDerWaalsContact CD-OD1 3.28Å; R842-D846 WeakPolarHBondContact CD-OD1 3.43Å; R842-D846 IonicContact CZ-OD2 2.81Å; R842-D846 VanDerWaalsContact NE-CG 3.34Å; R842-D846 IonicContact NE-OD1 2.66Å; R842-D846 PolarHBondContact NE-OD1 3.14Å; R842-D846 IonicContact NE-OD2 2.67Å; R842-D846 PolarHBondContact NE-OD2 3.34Å; R842-D846 VanDerWaalsContact NE-OD2 3.09Å; R842-D846 IonicContact NH2-OD2 3.89Å; R842-D846 WeakPolarHBondContact O-CB 3.44Å; R842-D846 PolarHBondContact O-N 3.11Å; I843-D846 PolarHBondContact O-N 3.15Å
847	I	92.6	Very high	91	Very high	0 Å²	0	51 Å²	51	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-84.7	-28.5	-179.7	-152.4	177	0	0	0	113.5	L171 L804 L808 I827 I843 L850 L851 I860	L171-I847 HydrophobicContact CD2-CD1 4.14Å; L804-I847 HydrophobicContact CD1-CB 4.35Å; L804-I847 HydrophobicContact CD1-CG1 4.38Å; L804-I847 HydrophobicContact CD2-CD1 4.48Å; L808-I847 HydrophobicContact CD1-CD1 4.18Å; L808-I847 HydrophobicContact CD1-CG1 4.03Å; I827-I847 HydrophobicContact CD1-CD1 3.5Å; I827-I847 HydrophobicContact CD1-CG2 4.01Å; I827-I847 HydrophobicContact CG1-CD1 4.4Å; I843-I847 WeakPolarHBondContact O-CB 3.49Å; I843-I847 WeakPolarHBondContact O-CG2 3.38Å; I843-I847 PolarHBondContact O-N 3.49Å; I847-L850 HydrophobicContact CG1-CD1 4.46Å; I847-L850 WeakPolarHBondContact O-CA 3.25Å; I847-L850 WeakPolarHBondContact O-CB 3.32Å; I847-L850 PolarHBondContact O-N 2.94Å; I847-L851 HydrophobicContact CD1-CD1 4.43Å; I847-L851 HydrophobicContact CG1-CD1 4.21Å; I847-L851 HydrophobicContact CG1-CG 4.33Å; I847-L851 HydrophobicContact CG2-CD1 4.13Å; I847-I860 HydrophobicContact CD1-CD1 4.48Å; I847-I860 HydrophobicContact CG2-CG2 4.06Å
848	R	91.5	Very high	90.5	Very high	70 Å²	70	51 Å²	51	26%	0.264	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-56.7	-41.6	-175.7	178.1	62.1	-166.2	92.5	-8.9	112.9	R844 L850 L851 D858	R844-R848 VanDerWaalsContact O-CB 3.24Å; R844-R848 WeakPolarHBondContact O-CB 3.33Å; R844-R848 PolarHBondContact O-N 3.46Å; R848-L850 PolarHBondContact O-N 2.88Å; R848-L851 PolarHBondContact NH1-O 3.2Å; R848-L851 PolarHBondContact O-N 3.28Å; R848-D858 IonicContact CZ-OD1 3.19Å; R848-D858 IonicContact NE-OD1 3.27Å; R848-D858 IonicContact NH2-OD1 3.07Å; R848-D858 PolarHBondContact NH2-OD1 3.26Å
849	P	92.4	Very high	90	Very high	106 Å²	106	56.8 Å²	56.8	69%	0.688	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-62.1	-23.1	174.5	-24.9	35.5	0	0	0	114.9	C845	C845-P849 WeakPolarHBondContact O-CD 3.08Å
850	L	91.4	Very high	89.7	Confident	51 Å²	51	57.3 Å²	57.3	27%	0.267	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-86.2	-7	-177.5	-50	179.9	0	0	0	113.3	L804 E805 L808 I847 R848	L804-L850 HydrophobicContact CB-CD1 3.98Å; E805-L850 HydrophobicContact CB-CD1 4.11Å; E805-L850 HydrophobicContact CB-CD2 4.19Å; E805-L850 HydrophobicContact CG-CD2 4.22Å; L808-L850 HydrophobicContact CD1-CB 3.85Å; L808-L850 HydrophobicContact CD1-CD1 4.17Å; I847-L850 HydrophobicContact CG1-CD1 4.46Å; I847-L850 WeakPolarHBondContact O-CA 3.25Å; I847-L850 WeakPolarHBondContact O-CB 3.32Å; I847-L850 PolarHBondContact O-N 2.94Å; R848-L850 PolarHBondContact O-N 2.88Å
851	L	89.8	Confident	89.5	Confident	10 Å²	10	60.5 Å²	60.5	5%	0.052	33%	0.327	C	S	.	.	S	Bend	trans	-110.2	148	-173.7	-64.7	170.2	0	0	0	112.4	L808 F823 I847 R848 W857 I860	L808-L851 HydrophobicContact CD1-CD2 4.37Å; L808-L851 HydrophobicContact CD2-CD2 4.46Å; F823-L851 HydrophobicContact CB-CD2 4.21Å; F823-L851 HydrophobicContact CD1-CD2 4.18Å; F823-L851 HydrophobicContact CG-CD2 4.28Å; I847-L851 HydrophobicContact CD1-CD1 4.43Å; I847-L851 HydrophobicContact CG1-CD1 4.21Å; I847-L851 HydrophobicContact CG1-CG 4.33Å; I847-L851 HydrophobicContact CG2-CD1 4.13Å; R848-L851 PolarHBondContact NH1-O 3.2Å; R848-L851 PolarHBondContact O-N 3.28Å; L851-W857 HydrophobicContact CB-CB 4.06Å; L851-W857 HydrophobicContact CD1-CB 4.43Å; L851-I860 HydrophobicContact CD1-CB 4.13Å; L851-I860 HydrophobicContact CD1-CD1 3.57Å; L851-I860 HydrophobicContact CD1-CG1 4.43Å; L851-I860 HydrophobicContact CD1-CG2 4.01Å
852	P	87.7	Confident	89.5	Confident	40 Å²	40	57.5 Å²	57.5	26%	0.26	31%	0.311	S	S	.	.			trans	-56.7	151.4	175.9	-21.7	32.1	0	0	0	112.7	P821 F823 W857	P821-P852 HydrophobicContact CG-CG 4.45Å; F823-P852 HydrophobicContact CD2-CG 3.48Å; F823-P852 VanDerWaalsContact CD2-CG 3.48Å; F823-P852 HydrophobicContact CE2-CG 3.42Å; F823-P852 VanDerWaalsContact CE2-CG 3.42Å; F823-P852 HydrophobicContact CZ-CG 4.43Å; P852-W857 HydrophobicContact CB-CD2 4.41Å; P852-W857 HydrophobicContact CB-CE3 3.77Å; P852-W857 HydrophobicContact CB-CZ3 3.92Å; P852-W857 HydrophobicContact CG-CD2 4.39Å; P852-W857 HydrophobicContact CG-CE3 4.15Å; P852-W857 HydrophobicContact CG-CZ3 4.24Å
853	V	87.2	Confident	89.4	Confident	126 Å²	126	57.8 Å²	57.8	76%	0.764	31%	0.313	S	S	*	.	S	Bend	trans	-75.7	131.7	172.2	-176.1	0	0	0	0	109.6
854	G	85.5	Confident	89.4	Confident	13 Å²	13	60.3 Å²	60.3	13%	0.134	33%	0.328	C	S	.	.	S	Bend	trans	145.3	161.5	176.6	0	0	0	0	0	113.4	K856 W857 D858	G854-K856 PolarHBondContact O-N 2.86Å; G854-W857 PolarHBondContact O-N 3.24Å; G854-D858 VanDerWaalsContact C-CG 3.44Å; G854-D858 WeakPolarHBondContact CA-OD2 3.43Å; G854-D858 PolarHBondContact N-OD1 2.84Å; G854-D858 VanDerWaalsContact N-OD1 3.16Å; G854-D858 PolarHBondContact N-OD2 3.14Å; G854-D858 PolarHBondContact O-N 3.3Å; G854-D858 VanDerWaalsContact O-OD2 3.12Å
855	P	84	Confident	89.5	Confident	125 Å²	125	55.6 Å²	55.6	81%	0.812	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-14.8	-164.4	24.1	-35.4	0	0	0	115.3
856	K	79.7	Confident	89.5	Confident	89 Å²	89	56.7 Å²	56.7	39%	0.387	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-24	172.4	-73.6	179.4	172.7	174.6	0	113.7	E820 G854	E820-K856 IonicContact OE1-NZ 3.92Å; E820-K856 PolarHBondContact OE1-NZ 3Å; E820-K856 IonicContact OE2-NZ 2.88Å; E820-K856 PolarHBondContact OE2-NZ 3.13Å; G854-K856 PolarHBondContact O-N 2.86Å
857	W	85.1	Confident	89.4	Confident	24 Å²	24	59.1 Å²	59.1	9%	0.091	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-132.7	-17.6	-171.1	-55.7	-72.8	0	0	0	114.1	P821 F823 L851 P852 G854 N859 I860	P821-W857 HydrophobicContact CG-CH2 4.17Å; P821-W857 HydrophobicContact CG-CZ2 4.47Å; F823-W857 HydrophobicContact CB-CZ2 4.41Å; L851-W857 HydrophobicContact CB-CB 4.06Å; L851-W857 HydrophobicContact CD1-CB 4.43Å; P852-W857 HydrophobicContact CB-CD2 4.41Å; P852-W857 HydrophobicContact CB-CE3 3.77Å; P852-W857 HydrophobicContact CB-CZ3 3.92Å; P852-W857 HydrophobicContact CG-CD2 4.39Å; P852-W857 HydrophobicContact CG-CE3 4.15Å; P852-W857 HydrophobicContact CG-CZ3 4.24Å; G854-W857 PolarHBondContact O-N 3.24Å; W857-N859 PolarHBondContact O-N 2.88Å; W857-I860 PolarHBondContact O-N 3.03Å
858	D	84.6	Confident	89.4	Confident	65 Å²	65	60 Å²	60	35%	0.348	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-34.3	174.6	-69.9	-32.7	0	0	0	112.2	R848 G854	R848-D858 IonicContact CZ-OD1 3.19Å; R848-D858 IonicContact NE-OD1 3.27Å; R848-D858 IonicContact NH2-OD1 3.07Å; R848-D858 PolarHBondContact NH2-OD1 3.26Å; G854-D858 VanDerWaalsContact C-CG 3.44Å; G854-D858 WeakPolarHBondContact CA-OD2 3.43Å; G854-D858 PolarHBondContact N-OD1 2.84Å; G854-D858 VanDerWaalsContact N-OD1 3.16Å; G854-D858 PolarHBondContact N-OD2 3.14Å; G854-D858 PolarHBondContact O-N 3.3Å; G854-D858 VanDerWaalsContact O-OD2 3.12Å
859	N	83.9	Confident	89.3	Confident	148 Å²	148	60.6 Å²	60.6	79%	0.791	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.3	57	174.1	-64.3	-51.9	0	0	0	110.6	W857 E861	W857-N859 PolarHBondContact O-N 2.88Å; N859-E861 PolarHBondContact O-N 2.8Å
860	I	88.9	Confident	89.3	Confident	12 Å²	12	57.4 Å²	57.4	6%	0.062	33%	0.327	C	S	.	.			trans	-54.5	130.3	176.8	-174.1	166.9	0	0	0	111.2	I827 I847 L851 W857 V862	I827-I860 HydrophobicContact CD1-CD1 4.07Å; I827-I860 HydrophobicContact CG1-CD1 3.82Å; I827-I860 HydrophobicContact CG1-CG1 4.29Å; I847-I860 HydrophobicContact CD1-CD1 4.48Å; I847-I860 HydrophobicContact CG2-CG2 4.06Å; L851-I860 HydrophobicContact CD1-CB 4.13Å; L851-I860 HydrophobicContact CD1-CD1 3.57Å; L851-I860 HydrophobicContact CD1-CG1 4.43Å; L851-I860 HydrophobicContact CD1-CG2 4.01Å; W857-I860 PolarHBondContact O-N 3.03Å; I860-V862 PolarHBondContact O-N 3.49Å
861	E	91	Very high	89.5	Confident	97 Å²	97	55.2 Å²	55.2	45%	0.453	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	127.5	-178.3	-163.6	176.4	-161.7	0	0	109.9	Q825 R826 I827 N859 I863	Q825-E861 PolarHBondContact O-N 3.12Å; R826-E861 CarbonylContact C-O 3.59Å; R826-E861 WeakPolarHBondContact CA-O 3.29Å; R826-E861 HydrophobicContact CB-CB 4.42Å; R826-E861 WeakPolarHBondContact CD-OE2 3.46Å; R826-E861 HydrophobicContact CG-CB 4.07Å; R826-E861 WeakPolarHBondContact CG-OE2 3.42Å; I827-E861 PolarHBondContact N-O 2.98Å; N859-E861 PolarHBondContact O-N 2.8Å; E861-I863 HydrophobicContact CG-CD1 4.16Å; E861-I863 HydrophobicContact CG-CG1 3.83Å
862	V	94	Very high	89.8	Confident	11 Å²	11	55.3 Å²	55.3	7%	0.067	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	109.1	177.4	-175.5	0	0	0	0	107.6	I827 L829 V840 I843 R844 I860	I827-V862 HydrophobicContact CB-CG1 4.35Å; I827-V862 HydrophobicContact CB-CG2 4.28Å; I827-V862 HydrophobicContact CD1-CG2 3.91Å; I827-V862 HydrophobicContact CG1-CG2 4.23Å; L829-V862 HydrophobicContact CD1-CG1 3.76Å; L829-V862 HydrophobicContact CG-CG1 4.12Å; V840-V862 HydrophobicContact CG1-CB 4.02Å; V840-V862 HydrophobicContact CG1-CG1 3.87Å; I843-V862 HydrophobicContact CG2-CG1 4.38Å; R844-V862 HydrophobicContact CG-CB 4.35Å; R844-V862 HydrophobicContact CG-CG2 3.66Å; I860-V862 PolarHBondContact O-N 3.49Å
863	I	94.3	Very high	90.2	Very high	22 Å²	22	53.4 Å²	53.4	11%	0.113	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	131.9	-171.6	-54.6	-178	0	0	0	108.1	F158 I827 Y828 L829 E861	F158-I863 HydrophobicContact CD2-CG2 4.36Å; F158-I863 HydrophobicContact CE1-CD1 4.23Å; F158-I863 HydrophobicContact CE2-CD1 4.08Å; F158-I863 HydrophobicContact CE2-CG2 3.86Å; F158-I863 HydrophobicContact CZ-CD1 3.49Å; F158-I863 VanDerWaalsContact CZ-CD1 3.49Å; F158-I863 HydrophobicContact CZ-CG2 4.24Å; I827-I863 PolarHBondContact O-N 3.4Å; Y828-I863 WeakPolarHBondContact CA-O 3.41Å; Y828-I863 HydrophobicContact CD2-CB 4.23Å; Y828-I863 HydrophobicContact CD2-CG2 3.92Å; Y828-I863 HydrophobicContact CE2-CG2 4.29Å; L829-I863 PolarHBondContact N-O 3.14Å; E861-I863 HydrophobicContact CG-CD1 4.16Å; E861-I863 HydrophobicContact CG-CG1 3.83Å
864	V	95.4	Very high	90.6	Very high	52 Å²	52	48.4 Å²	48.4	32%	0.315	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	138	168.2	-176.3	0	0	0	0	107.9	L829 A834 V840 P868	L829-V864 HydrophobicContact CD1-CG2 4.25Å; A834-V864 HydrophobicContact CB-CG1 4.33Å; A834-V864 WeakPolarHBondContact O-CG1 3.49Å; V840-V864 HydrophobicContact CG2-CG2 3.41Å; V840-V864 VanDerWaalsContact CG2-CG2 3.41Å; V864-P868 HydrophobicContact CG1-CG 3.86Å
865	A	94.5	Very high	91	Very high	5 Å²	5	47.8 Å²	47.8	4%	0.041	27%	0.267	C	S	.	.			trans	-50.5	142.4	171.1	0	0	0	0	0	111.1	Y828 L829 N867 P868 D871	Y828-A865 HydrophobicContact CE1-CB 4.21Å; Y828-A865 HydrophobicContact CE2-CB 4.23Å; Y828-A865 WeakPolarHBondContact OH-CB 3.49Å; L829-A865 WeakPolarHBondContact O-CB 3.4Å; L829-A865 PolarHBondContact O-N 3.04Å; A865-N867 VanDerWaalsContact C-N 3.31Å; A865-N867 PolarHBondContact O-N 3.21Å; A865-P868 HydrophobicContact CB-CB 4.16Å; A865-P868 HydrophobicContact CB-CG 4.04Å; A865-P868 VanDerWaalsContact O-CD 3.24Å; A865-P868 WeakPolarHBondContact O-CD 3.29Å; A865-P868 VanDerWaalsContact O-CG 3.28Å; A865-P868 WeakPolarHBondContact O-CG 3.48Å; A865-D871 WeakPolarHBondContact CB-OD2 3.39Å
866	A	92.6	Very high	91.6	Very high	89 Å²	89	41.8 Å²	41.8	74%	0.736	23%	0.228	S	C	*	.	S	Bend	trans	-66.5	-36.9	-174	0	0	0	0	0	111.7	D871	A866-D871 PolarHBondContact N-OD2 3.01Å
867	N	92.4	Very high	92.3	Very high	87 Å²	87	39.1 Å²	39.1	47%	0.465	22%	0.216	S	C	.	.	S	Bend	trans	-131.4	81.4	170.3	-68.8	-65.4	0	0	0	108.7	A865 H869 L870 D871	A865-N867 VanDerWaalsContact C-N 3.31Å; A865-N867 PolarHBondContact O-N 3.21Å; N867-H869 PolarHBondContact O-N 3.42Å; N867-L870 HydrophobicContact CB-CB 4.24Å; N867-L870 PolarHBondContact O-N 2.99Å; N867-D871 PolarHBondContact N-OD2 3.28Å; N867-D871 PolarHBondContact O-N 3.03Å
868	P	91.9	Very high	92.8	Very high	18 Å²	18	40 Å²	40	12%	0.117	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-15.3	-171.4	-22.6	31.8	0	0	0	115.6	G831 A834 A835 V864 A865	G831-P868 CarbonylContact C-O 3.58Å; G831-P868 VanDerWaalsContact CA-O 3.29Å; G831-P868 WeakPolarHBondContact CA-O 3.4Å; G831-P868 PolarHBondContact N-O 3.12Å; G831-P868 VanDerWaalsContact O-CB 3.3Å; G831-P868 WeakPolarHBondContact O-CB 3.48Å; A834-P868 HydrophobicContact CB-CB 4.11Å; A834-P868 HydrophobicContact CB-CG 4.46Å; A835-P868 HydrophobicContact CB-CG 4.48Å; V864-P868 HydrophobicContact CG1-CG 3.86Å; A865-P868 HydrophobicContact CB-CB 4.16Å; A865-P868 HydrophobicContact CB-CG 4.04Å; A865-P868 VanDerWaalsContact O-CD 3.24Å; A865-P868 WeakPolarHBondContact O-CD 3.29Å; A865-P868 VanDerWaalsContact O-CG 3.28Å; A865-P868 WeakPolarHBondContact O-CG 3.48Å
869	H	89.3	Confident	93.2	Very high	82 Å²	82	37 Å²	37	38%	0.38	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-20.7	176.8	-65.9	76.9	0	0	0	113.5	R38 G832 N867	R38-H869 PolarHBondContact NE-O 3.32Å; R38-H869 PolarHBondContact NH1-O 3.33Å; R38-H869 PolarHBondContact NH2-O 3.03Å; G832-H869 WeakPolarHBondContact CA-NE2 3.37Å; G832-H869 PolarHBondContact O-CE1 3.1Å; N867-H869 PolarHBondContact O-N 3.42Å
870	L	93.1	Very high	93.7	Very high	39 Å²	39	30.3 Å²	30.3	20%	0.204	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.3	-18.7	-173.2	-63.5	179.2	0	0	0	114.4	P47 N867 A872 W873 H874	P47-L870 HydrophobicContact CG-CD2 4.05Å; N867-L870 HydrophobicContact CB-CB 4.24Å; N867-L870 PolarHBondContact O-N 2.99Å; L870-A872 PolarHBondContact O-N 3.23Å; L870-A872 VanDerWaalsContact O-N 3.15Å; L870-W873 WeakPolarHBondContact O-CA 3.39Å; L870-W873 WeakPolarHBondContact O-CB 3.45Å; L870-W873 PolarHBondContact O-N 3.33Å; L870-H874 WeakPolarHBondContact CB-NE2 3.3Å; L870-H874 PolarHBondContact O-CD2 2.95Å; L870-H874 PolarHBondContact O-N 3.43Å
871	D	94.6	Very high	93.8	Very high	6 Å²	6	33.4 Å²	33.4	3%	0.032	19%	0.187	C	C	.	.	H	α-helix	trans	-59.6	-29.3	-175.7	-80.8	-34.4	0	0	0	113.7	S154 N157 A865 A866 N867 H874 G875	S154-D871 VanDerWaalsContact OG-CB 3.3Å; S154-D871 WeakPolarHBondContact OG-CB 3.4Å; N157-D871 PolarHBondContact ND2-OD1 2.79Å; A865-D871 WeakPolarHBondContact CB-OD2 3.39Å; A866-D871 PolarHBondContact N-OD2 3.01Å; N867-D871 PolarHBondContact N-OD2 3.28Å; N867-D871 PolarHBondContact O-N 3.03Å; D871-H874 PolarHBondContact O-N 3Å; D871-H874 IonicContact OD1-CD2 3.91Å; D871-G875 PolarHBondContact O-N 3.42Å
872	A	95.4	Very high	93.8	Very high	11 Å²	11	30 Å²	30	9%	0.091	17%	0.174	C	C	.	.	H	α-helix	trans	-60.7	-43.3	170.1	0	0	0	0	0	112.6	D150 A153 L870 A876	D150-A872 HydrophobicContact CB-CB 4.09Å; D150-A872 VanDerWaalsContact O-CB 3.3Å; D150-A872 WeakPolarHBondContact O-CB 3.43Å; A153-A872 WeakPolarHBondContact CB-O 3.23Å; L870-A872 PolarHBondContact O-N 3.23Å; L870-A872 VanDerWaalsContact O-N 3.15Å; A872-A876 WeakPolarHBondContact O-CB 3.33Å; A872-A876 PolarHBondContact O-N 3.13Å; A872-A876 VanDerWaalsContact O-N 3.14Å
873	W	96.5	Very high	93.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-73.8	-42.1	176.9	-173.4	91.8	0	0	0	111.5	V29 D31 E45 E46 P47 L870 G875 A876 R877	V29-W873 HydrophobicContact CB-CZ2 4.26Å; V29-W873 HydrophobicContact CG1-CG 4.27Å; V29-W873 PolarHBondContact O-NE1 3.44Å; D31-W873 HydrophobicContact CB-CB 4.35Å; E45-W873 WeakPolarHBondContact O-CZ3 3.48Å; E46-W873 WeakPolarHBondContact O-CH2 3.36Å; P47-W873 HydrophobicContact CB-CD2 4.19Å; P47-W873 HydrophobicContact CB-CZ2 4.27Å; L870-W873 WeakPolarHBondContact O-CA 3.39Å; L870-W873 WeakPolarHBondContact O-CB 3.45Å; L870-W873 PolarHBondContact O-N 3.33Å; W873-G875 VanDerWaalsContact C-N 3.35Å; W873-G875 PolarHBondContact O-N 2.9Å; W873-A876 PolarHBondContact O-N 3.47Å; W873-R877 HydrophobicContact CE3-CB 4.49Å; W873-R877 HydrophobicContact CZ3-CB 4.33Å; W873-R877 VanDerWaalsContact O-CB 3.25Å; W873-R877 WeakPolarHBondContact O-CB 3.29Å; W873-R877 PolarHBondContact O-N 2.84Å
874	H	96	Very high	92.9	Very high	21 Å²	21	37.7 Å²	37.7	10%	0.097	22%	0.215	C	C	.	.	H	α-helix	trans	-61.1	-42.2	174.7	-62.4	-52.9	0	0	0	111.7	E45 L870 D871 R877 H878	E45-H874 PolarHBondContact O-CE1 2.83Å; E45-H874 PolarHBondContact O-ND1 3.13Å; L870-H874 WeakPolarHBondContact CB-NE2 3.3Å; L870-H874 PolarHBondContact O-CD2 2.95Å; L870-H874 PolarHBondContact O-N 3.43Å; D871-H874 PolarHBondContact O-N 3Å; D871-H874 IonicContact OD1-CD2 3.91Å; H874-R877 WeakPolarHBondContact O-CB 3.39Å; H874-R877 PolarHBondContact O-N 3.33Å; H874-H878 WeakPolarHBondContact O-CB 3.39Å; H874-H878 PolarHBondContact O-CD2 3.14Å; H874-H878 PolarHBondContact O-N 3.43Å
875	G	94.7	Very high	92.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-62.9	-47.7	176.2	0	0	0	0	0	112.9	A153 D871 W873 R877 H878 F879	A153-G875 WeakPolarHBondContact O-CA 3.4Å; D871-G875 PolarHBondContact O-N 3.42Å; W873-G875 VanDerWaalsContact C-N 3.35Å; W873-G875 PolarHBondContact O-N 2.9Å; G875-R877 VanDerWaalsContact C-N 3.32Å; G875-R877 PolarHBondContact O-N 2.87Å; G875-H878 PolarHBondContact O-N 3.2Å; G875-F879 WeakPolarHBondContact O-CB 3.2Å; G875-F879 PolarHBondContact O-N 3.32Å
876	A	95.9	Very high	92.4	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-62.4	-39.3	175.6	0	0	0	0	0	112	V29 V117 Y148 A153 A872 W873 F879 A880	V29-A876 HydrophobicContact CG1-CB 3.73Å; V117-A876 HydrophobicContact CG1-CB 4.44Å; Y148-A876 HydrophobicContact CD1-CB 3.8Å; Y148-A876 HydrophobicContact CD2-CB 3.88Å; Y148-A876 HydrophobicContact CE1-CB 3.48Å; Y148-A876 VanDerWaalsContact CE1-CB 3.48Å; Y148-A876 HydrophobicContact CE2-CB 3.58Å; Y148-A876 HydrophobicContact CG-CB 3.97Å; A153-A876 HydrophobicContact CB-CB 4.34Å; A872-A876 WeakPolarHBondContact O-CB 3.33Å; A872-A876 PolarHBondContact O-N 3.13Å; A872-A876 VanDerWaalsContact O-N 3.14Å; W873-A876 PolarHBondContact O-N 3.47Å; A876-F879 PolarHBondContact O-N 3.08Å; A876-A880 WeakPolarHBondContact O-CB 3.29Å; A876-A880 PolarHBondContact O-N 3.35Å
877	R	95.2	Very high	92.3	Very high	33 Å²	33	41.8 Å²	41.8	13%	0.125	22%	0.215	C	C	.	.	H	α-helix	trans	-56.6	-52.9	169.2	162.2	-173.7	-177	-135.8	18.6	112.2	V29 S42 H43 L44 W873 H874 G875 F879 A880 N881	V29-R877 HydrophobicContact CG2-CB 4.38Å; S42-R877 WeakPolarHBondContact O-CD 3.3Å; S42-R877 WeakPolarHBondContact O-CG 3.49Å; S42-R877 PolarHBondContact O-NE 3Å; H43-R877 PolarHBondContact O-NH2 3.42Å; L44-R877 WeakPolarHBondContact O-CD 3.29Å; L44-R877 PolarHBondContact O-NE 3.39Å; L44-R877 PolarHBondContact O-NH2 2.95Å; W873-R877 HydrophobicContact CE3-CB 4.49Å; W873-R877 HydrophobicContact CZ3-CB 4.33Å; W873-R877 VanDerWaalsContact O-CB 3.25Å; W873-R877 WeakPolarHBondContact O-CB 3.29Å; W873-R877 PolarHBondContact O-N 2.84Å; H874-R877 WeakPolarHBondContact O-CB 3.39Å; H874-R877 PolarHBondContact O-N 3.33Å; G875-R877 VanDerWaalsContact C-N 3.32Å; G875-R877 PolarHBondContact O-N 2.87Å; R877-F879 VanDerWaalsContact C-N 3.28Å; R877-F879 PolarHBondContact O-N 3.04Å; R877-A880 PolarHBondContact O-N 2.74Å; R877-N881 PolarHBondContact O-N 3.26Å; R877-N881 PolarHBondContact O-ND2 2.84Å
878	H	94.1	Very high	92.3	Very high	43 Å²	43	39.7 Å²	39.7	20%	0.199	20%	0.201	C	C	.	.	H	α-helix	trans	-66.8	-33.3	-176.4	-78.1	-58.8	0	0	0	111.7	Y156 N157 H874 G875 S882	Y156-H878 HydrophobicContact CE1-CB 4.24Å; N157-H878 PolarHBondContact OD1-CD2 2.85Å; N157-H878 VanDerWaalsContact OD1-CD2 3.27Å; H874-H878 WeakPolarHBondContact O-CB 3.39Å; H874-H878 PolarHBondContact O-CD2 3.14Å; H874-H878 PolarHBondContact O-N 3.43Å; G875-H878 PolarHBondContact O-N 3.2Å; H878-S882 PolarHBondContact O-N 3.18Å
879	F	93.5	Very high	92.4	Very high	1 Å²	1	39.2 Å²	39.2	0%	0.004	20%	0.197	C	C	.	.	H	α-helix	trans	-67.2	-48.9	171.6	-170.7	-111.1	0	0	0	111.6	M146 Y156 L195 G875 A876 R877 N881 S882 A885 Y888 H906 L908	M146-F879 HydrophobicContact CE-CD1 3.74Å; M146-F879 HydrophobicContact CE-CE1 3.9Å; M146-F879 HydrophobicContact SD-CD1 4.13Å; M146-F879 HydrophobicContact SD-CE1 3.64Å; Y156-F879 HydrophobicContact CD1-CB 4.24Å; Y156-F879 HydrophobicContact CE1-CB 3.9Å; Y156-F879 HydrophobicContact CE1-CD2 4.33Å; L195-F879 HydrophobicContact CD1-CD2 4.4Å; L195-F879 HydrophobicContact CD1-CE2 3.7Å; G875-F879 WeakPolarHBondContact O-CB 3.2Å; G875-F879 PolarHBondContact O-N 3.32Å; A876-F879 PolarHBondContact O-N 3.08Å; R877-F879 VanDerWaalsContact C-N 3.28Å; R877-F879 PolarHBondContact O-N 3.04Å; F879-N881 PolarHBondContact O-N 3.42Å; F879-S882 WeakPolarHBondContact O-CB 3.48Å; F879-S882 PolarHBondContact O-N 3.25Å; F879-S882 PolarHBondContact O-OG 2.88Å; F879-A885 WeakPolarHBondContact O-CB 3.15Å; F879-Y888 HydrophobicContact CE1-CD2 4.24Å; F879-Y888 HydrophobicContact CE2-CE2 4.44Å; F879-Y888 AromaticContact CZ-CD2 3.62Å; F879-Y888 HydrophobicContact CZ-CD2 3.62Å; F879-Y888 AromaticContact CZ-CE2 3.89Å; F879-Y888 HydrophobicContact CZ-CE2 3.89Å; F879-H906 AromaticContact CE1-CE1 3.94Å; F879-H906 AromaticContact CE1-ND1 3.55Å; F879-H906 HydrophobicContact CZ-CB 4.42Å; F879-H906 AromaticContact CZ-ND1 3.64Å; F879-L908 HydrophobicContact CB-CD1 3.58Å; F879-L908 HydrophobicContact CD1-CD1 3.83Å; F879-L908 HydrophobicContact CD1-CG 4.47Å; F879-L908 HydrophobicContact CD2-CD1 3.71Å; F879-L908 HydrophobicContact CD2-CG 4.18Å; F879-L908 HydrophobicContact CE1-CD1 4.41Å; F879-L908 HydrophobicContact CE2-CD1 4.32Å; F879-L908 HydrophobicContact CE2-CG 4.32Å; F879-L908 HydrophobicContact CG-CD1 3.43Å; F879-L908 VanDerWaalsContact CG-CD1 3.43Å; F879-L908 HydrophobicContact CG-CG 4.26Å
880	A	94.1	Very high	92.7	Very high	8 Å²	8	35.4 Å²	35.4	7%	0.066	18%	0.179	C	C	.	.	H	α-helix	trans	-60.7	-28.7	179.4	0	0	0	0	0	114.1	P27 V29 V117 A876 R877	P27-A880 HydrophobicContact CB-CB 4.11Å; P27-A880 HydrophobicContact CG-CB 4.43Å; V29-A880 HydrophobicContact CG2-CB 4.4Å; V117-A880 HydrophobicContact CG2-CB 3.9Å; A876-A880 WeakPolarHBondContact O-CB 3.29Å; A876-A880 PolarHBondContact O-N 3.35Å; R877-A880 PolarHBondContact O-N 2.74Å
881	N	92.1	Very high	92.8	Very high	77 Å²	77	35.4 Å²	35.4	41%	0.412	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-4.4	173.4	-68.9	-29.5	0	0	0	113.9	S42 R877 F879	S42-N881 WeakPolarHBondContact CB-OD1 3.49Å; S42-N881 PolarHBondContact O-ND2 3.17Å; S42-N881 PolarHBondContact OG-OD1 3.13Å; R877-N881 PolarHBondContact O-N 3.26Å; R877-N881 PolarHBondContact O-ND2 2.84Å; F879-N881 PolarHBondContact O-N 3.42Å
882	S	90.4	Very high	92.8	Very high	26 Å²	26	37 Å²	37	18%	0.182	19%	0.188	C	C	.	.	S	Bend	trans	-76.3	152.6	-179.8	78.4	0	0	0	0	111.7	H878 F879 Y884 A885	H878-S882 PolarHBondContact O-N 3.18Å; F879-S882 WeakPolarHBondContact O-CB 3.48Å; F879-S882 PolarHBondContact O-N 3.25Å; F879-S882 PolarHBondContact O-OG 2.88Å; S882-Y884 PolarHBondContact O-N 3.18Å; S882-Y884 PolarHBondContact OG-N 3.02Å; S882-A885 PolarHBondContact O-N 3.31Å; S882-A885 PolarHBondContact OG-N 3.01Å
883	S	86.1	Confident	92.8	Very high	96 Å²	96	42.1 Å²	42.1	67%	0.671	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-15	174.3	48.4	0	0	0	0	114.3
884	Y	84.1	Confident	92.7	Very high	97 Å²	97	44.5 Å²	44.5	38%	0.38	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-20.3	-177.2	-52.3	-75.9	0	0	0	112.9	P194 S882 E886 Q887 Y888	P194-Y884 HydrophobicContact CG-CD2 4.45Å; P194-Y884 HydrophobicContact CG-CE1 4.1Å; P194-Y884 HydrophobicContact CG-CE2 3.83Å; S882-Y884 PolarHBondContact O-N 3.18Å; S882-Y884 PolarHBondContact OG-N 3.02Å; Y884-E886 VanDerWaalsContact C-N 3.26Å; Y884-E886 PolarHBondContact O-N 2.65Å; Y884-Q887 VanDerWaalsContact O-CB 3.3Å; Y884-Q887 WeakPolarHBondContact O-CB 3.44Å; Y884-Q887 PolarHBondContact O-N 3.31Å; Y884-Y888 WeakPolarHBondContact O-CD2 3.43Å
885	A	89.4	Confident	92.7	Very high	2 Å²	2	44.5 Å²	44.5	2%	0.017	22%	0.221	C	C	.	.	H	α-helix	trans	-57.3	-37.5	-178.2	0	0	0	0	0	113.4	M146 F879 S882 Q887 Y888 Y889	M146-A885 HydrophobicContact CE-CB 4.38Å; F879-A885 WeakPolarHBondContact O-CB 3.15Å; S882-A885 PolarHBondContact O-N 3.31Å; S882-A885 PolarHBondContact OG-N 3.01Å; A885-Q887 PolarHBondContact O-N 3.04Å; A885-Q887 VanDerWaalsContact O-N 3.13Å; A885-Y888 PolarHBondContact O-N 3.39Å; A885-Y889 HydrophobicContact CB-CE2 4.02Å; A885-Y889 WeakPolarHBondContact O-CD2 3.44Å; A885-Y889 PolarHBondContact O-N 2.89Å
886	E	89.8	Confident	92.7	Very high	112 Å²	112	50.3 Å²	50.3	52%	0.523	25%	0.248	S	C	.	.	H	α-helix	trans	-55.3	-30.1	176.4	-176.6	59.9	-169.2	0	0	112.8	K144 Y884	K144-E886 IonicContact NZ-OE1 2.82Å; K144-E886 PolarHBondContact NZ-OE1 3.21Å; K144-E886 IonicContact NZ-OE2 3.54Å; K144-E886 PolarHBondContact NZ-OE2 3.4Å; Y884-E886 VanDerWaalsContact C-N 3.26Å; Y884-E886 PolarHBondContact O-N 2.65Å
887	Q	89.8	Confident	92.7	Very high	119 Å²	119	55.7 Å²	55.7	56%	0.556	27%	0.273	S	S	*	.	H	α-helix	trans	-71.5	-32	177.3	-56.8	-178	-9.1	0	0	111.8	Y884 A885 K904	Y884-Q887 VanDerWaalsContact O-CB 3.3Å; Y884-Q887 WeakPolarHBondContact O-CB 3.44Å; Y884-Q887 PolarHBondContact O-N 3.31Å; A885-Q887 PolarHBondContact O-N 3.04Å; A885-Q887 VanDerWaalsContact O-N 3.13Å; Q887-K904 WeakPolarHBondContact O-CD 3.39Å; Q887-K904 WeakPolarHBondContact O-CE 3.4Å; Q887-K904 PolarHBondContact O-NZ 3.41Å
888	Y	91.6	Very high	92.7	Very high	43 Å²	43	60.5 Å²	60.5	17%	0.169	29%	0.292	C	S	.	.	H	α-helix	trans	-96.1	-13.9	-169.1	-61.2	-58.2	0	0	0	115.6	F879 Y884 A885 D905 H906	F879-Y888 HydrophobicContact CE1-CD2 4.24Å; F879-Y888 HydrophobicContact CE2-CE2 4.44Å; F879-Y888 AromaticContact CZ-CD2 3.62Å; F879-Y888 HydrophobicContact CZ-CD2 3.62Å; F879-Y888 AromaticContact CZ-CE2 3.89Å; F879-Y888 HydrophobicContact CZ-CE2 3.89Å; Y884-Y888 WeakPolarHBondContact O-CD2 3.43Å; A885-Y888 PolarHBondContact O-N 3.39Å; Y888-D905 WeakPolarHBondContact CE1-O 3.29Å; Y888-H906 HydrophobicContact CD1-CB 3.32Å; Y888-H906 HydrophobicContact CD2-CB 3.94Å; Y888-H906 HydrophobicContact CE1-CB 3.59Å; Y888-H906 HydrophobicContact CE2-CB 4.18Å; Y888-H906 HydrophobicContact CG-CB 3.5Å; Y888-H906 VanDerWaalsContact CG-CB 3.5Å
889	Y	94.4	Very high	92.5	Very high	7 Å²	7	59.5 Å²	59.5	3%	0.027	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-63.9	135.2	171.9	-71.2	-79	0	0	0	112.3	P27 P115 V117 K144 M146 A885 K904	P27-Y889 WeakPolarHBondContact CG-OH 3.29Å; P115-Y889 HydrophobicContact CB-CD1 4.36Å; P115-Y889 HydrophobicContact CB-CE1 3.71Å; V117-Y889 HydrophobicContact CG2-CE1 3.7Å; V117-Y889 VanDerWaalsContact CG2-OH 3.23Å; V117-Y889 WeakPolarHBondContact CG2-OH 3.42Å; K144-Y889 HydrophobicContact CB-CD1 3.81Å; K144-Y889 HydrophobicContact CB-CG 3.97Å; K144-Y889 HydrophobicContact CD-CD2 4.41Å; K144-Y889 HydrophobicContact CD-CG 4.29Å; M146-Y889 HydrophobicContact CB-CD1 3.6Å; M146-Y889 HydrophobicContact CB-CE1 3.76Å; M146-Y889 HydrophobicContact CB-CG 4.36Å; M146-Y889 HydrophobicContact CE-CE1 4.21Å; M146-Y889 HydrophobicContact CE-CE2 4.49Å; A885-Y889 HydrophobicContact CB-CE2 4.02Å; A885-Y889 WeakPolarHBondContact O-CD2 3.44Å; A885-Y889 PolarHBondContact O-N 2.89Å; Y889-K904 WeakPolarHBondContact O-CE 3.44Å; Y889-K904 PolarHBondContact O-NZ 2.99Å
890	T	95.1	Very high	92.5	Very high	2 Å²	2	61.1 Å²	61.1	1%	0.012	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	128.3	159.1	-61.8	0	0	0	0	108.2	F137 K144 L145 M894 Y902	F137-T890 HydrophobicContact CE2-CG2 4.47Å; F137-T890 HydrophobicContact CZ-CG2 4.28Å; K144-T890 CarbonylContact C-O 3.6Å; K144-T890 WeakPolarHBondContact CA-O 3.42Å; L145-T890 PolarHBondContact N-O 3.1Å; L145-T890 PolarHBondContact O-N 3.41Å; T890-M894 HydrophobicContact CG2-CB 3.87Å; T890-Y902 HydrophobicContact CG2-CD1 4.36Å; T890-Y902 PolarHBondContact OG1-O 3.48Å
891	T	95.7	Very high	92.2	Very high	40 Å²	40	67.3 Å²	67.3	25%	0.245	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	161.7	173.7	61.7	0	0	0	0	111	P143 K144 Q893 M894 Y895	P143-T891 WeakPolarHBondContact O-CA 3.3Å; K144-T891 HydrophobicContact CG-CG2 4.31Å; T891-Q893 PolarHBondContact O-N 3.02Å; T891-M894 PolarHBondContact O-N 3.25Å; T891-M894 VanDerWaalsContact O-N 3.07Å; T891-M894 WeakPolarHBondContact OG1-CG 3.48Å; T891-M894 PolarHBondContact OG1-N 2.9Å; T891-Y895 PolarHBondContact O-N 3.3Å; T891-Y895 VanDerWaalsContact O-N 3.09Å
892	K	94.2	Very high	92.1	Very high	38 Å²	38	67.5 Å²	67.5	17%	0.165	32%	0.323	C	S	.	.	H	α-helix	trans	-56.3	-40.7	173.9	-166.5	176.9	-177.2	176.4	0	112	F137 E138 N141 P143 M894 Y895 E896	F137-K892 HydrophobicContact CB-CG 4.36Å; F137-K892 HydrophobicContact CD1-CB 3.72Å; F137-K892 HydrophobicContact CD1-CD 4.41Å; F137-K892 HydrophobicContact CD1-CG 3.71Å; F137-K892 HydrophobicContact CE1-CB 3.91Å; F137-K892 HydrophobicContact CE1-CG 4.37Å; F137-K892 HydrophobicContact CG-CG 4.31Å; F137-K892 WeakPolarHBondContact O-CE 3.26Å; F137-K892 PolarHBondContact O-NZ 2.67Å; E138-K892 IonicContact OE2-NZ 3.85Å; E138-K892 PolarHBondContact OE2-NZ 3.25Å; N141-K892 PolarHBondContact OD1-NZ 3.24Å; P143-K892 PolarHBondContact O-N 3.03Å; K892-M894 PolarHBondContact O-N 2.92Å; K892-Y895 HydrophobicContact CG-CD1 4.22Å; K892-Y895 CarbonylContact O-C 3.55Å; K892-Y895 WeakPolarHBondContact O-CA 3.44Å; K892-Y895 WeakPolarHBondContact O-CB 3.42Å; K892-Y895 PolarHBondContact O-N 3.31Å; K892-Y895 VanDerWaalsContact O-N 3.1Å; K892-E896 WeakPolarHBondContact CD-OE1 3.42Å; K892-E896 WeakPolarHBondContact CE-OE1 3.48Å; K892-E896 HydrophobicContact CG-CG 4.31Å; K892-E896 WeakPolarHBondContact CG-OE1 3.47Å; K892-E896 IonicContact NZ-OE1 2.89Å; K892-E896 WeakPolarHBondContact O-CG 3.36Å; K892-E896 PolarHBondContact O-N 3.37Å
893	Q	95.3	Very high	92	Very high	119 Å²	119	68.1 Å²	68.1	56%	0.556	32%	0.322	S	S	*	.	H	α-helix	trans	-58.2	-42.9	174.3	-176.1	-175.5	-8	0	0	112.9	T891 Y895 E896 E897	T891-Q893 PolarHBondContact O-N 3.02Å; Q893-Y895 VanDerWaalsContact C-N 3.28Å; Q893-Y895 PolarHBondContact O-N 3.14Å; Q893-E896 PolarHBondContact O-N 3.47Å; Q893-E897 HydrophobicContact CG-CG 4.4Å; Q893-E897 WeakPolarHBondContact CG-OE1 3.48Å; Q893-E897 PolarHBondContact NE2-OE1 3.41Å; Q893-E897 WeakPolarHBondContact O-CB 3.42Å; Q893-E897 WeakPolarHBondContact O-CG 3.34Å; Q893-E897 PolarHBondContact O-N 3.08Å
894	M	95.1	Very high	92.1	Very high	51 Å²	51	66 Å²	66	25%	0.251	30%	0.301	S	S	.	.	H	α-helix	trans	-65.1	-33.6	176.4	-75.2	174.9	169.7	0	0	112.2	T890 T891 K892 Y898 Y902 K904	T890-M894 HydrophobicContact CG2-CB 3.87Å; T891-M894 PolarHBondContact O-N 3.25Å; T891-M894 VanDerWaalsContact O-N 3.07Å; T891-M894 WeakPolarHBondContact OG1-CG 3.48Å; T891-M894 PolarHBondContact OG1-N 2.9Å; K892-M894 PolarHBondContact O-N 2.92Å; M894-Y898 HydrophobicContact CB-CD2 4.2Å; M894-Y898 HydrophobicContact CB-CE2 4.46Å; M894-Y898 HydrophobicContact CG-CE2 4.29Å; M894-Y898 WeakPolarHBondContact O-CB 3.37Å; M894-Y898 VanDerWaalsContact O-CD2 3.27Å; M894-Y898 WeakPolarHBondContact O-CD2 3.44Å; M894-Y898 PolarHBondContact O-N 3.45Å; M894-Y902 HydrophobicContact CB-CD1 4.34Å; M894-Y902 HydrophobicContact CB-CE1 4.23Å; M894-Y902 HydrophobicContact SD-CE1 4.39Å; M894-K904 VanDerWaalsContact SD-CE 3.6Å
895	Y	95.3	Very high	92.1	Very high	20 Å²	20	65.7 Å²	65.7	8%	0.078	31%	0.305	C	S	.	.	H	α-helix	trans	-69.6	-39.8	172.5	155	-86.8	0	0	0	111.9	T133 F137 E138 T891 K892 Q893 G899 P900	T133-Y895 HydrophobicContact CG2-CD2 3.63Å; T133-Y895 HydrophobicContact CG2-CE2 3.88Å; F137-Y895 HydrophobicContact CB-CD1 3.78Å; F137-Y895 HydrophobicContact CB-CD2 4.38Å; F137-Y895 HydrophobicContact CB-CE1 3.72Å; F137-Y895 HydrophobicContact CB-CE2 4.29Å; F137-Y895 HydrophobicContact CB-CG 4.14Å; F137-Y895 AromaticContact CD2-CD1 3.96Å; F137-Y895 HydrophobicContact CD2-CD1 3.96Å; F137-Y895 AromaticContact CD2-CD2 3.47Å; F137-Y895 HydrophobicContact CD2-CD2 3.47Å; F137-Y895 VanDerWaalsContact CD2-CD2 3.47Å; F137-Y895 HydrophobicContact CD2-CE2 4.04Å; F137-Y895 AromaticContact CD2-CG 3.42Å; F137-Y895 HydrophobicContact CD2-CG 3.42Å; F137-Y895 VanDerWaalsContact CD2-CG 3.42Å; F137-Y895 HydrophobicContact CE2-CD2 4.04Å; F137-Y895 AromaticContact CE2-CG 3.89Å; F137-Y895 HydrophobicContact CE2-CG 3.89Å; F137-Y895 AromaticContact CG-CD1 3.88Å; F137-Y895 HydrophobicContact CG-CD1 3.88Å; F137-Y895 HydrophobicContact CG-CD2 4.2Å; F137-Y895 HydrophobicContact CG-CE1 4.32Å; F137-Y895 AromaticContact CG-CG 3.84Å; F137-Y895 HydrophobicContact CG-CG 3.84Å; E138-Y895 WeakPolarHBondContact CG-OH 3.3Å; E138-Y895 WeakPolarHBondContact OE1-CE1 3.14Å; E138-Y895 PolarHBondContact OE1-OH 2.91Å; T891-Y895 PolarHBondContact O-N 3.3Å; T891-Y895 VanDerWaalsContact O-N 3.09Å; K892-Y895 HydrophobicContact CG-CD1 4.22Å; K892-Y895 CarbonylContact O-C 3.55Å; K892-Y895 WeakPolarHBondContact O-CA 3.44Å; K892-Y895 WeakPolarHBondContact O-CB 3.42Å; K892-Y895 PolarHBondContact O-N 3.31Å; K892-Y895 VanDerWaalsContact O-N 3.1Å; Q893-Y895 VanDerWaalsContact C-N 3.28Å; Q893-Y895 PolarHBondContact O-N 3.14Å; Y895-G899 WeakPolarHBondContact O-CA 3.43Å; Y895-G899 PolarHBondContact O-N 3.06Å; Y895-P900 HydrophobicContact CD2-CB 4.39Å; Y895-P900 HydrophobicContact CE2-CB 3.91Å
896	E	96	Very high	92	Very high	122 Å²	122	66.4 Å²	66.4	57%	0.57	31%	0.308	S	S	*	.	H	α-helix	trans	-67.5	-33.9	175.6	-71.7	165.8	178.5	0	0	112.4	K892 Q893	K892-E896 WeakPolarHBondContact CD-OE1 3.42Å; K892-E896 WeakPolarHBondContact CE-OE1 3.48Å; K892-E896 HydrophobicContact CG-CG 4.31Å; K892-E896 WeakPolarHBondContact CG-OE1 3.47Å; K892-E896 IonicContact NZ-OE1 2.89Å; K892-E896 WeakPolarHBondContact O-CG 3.36Å; K892-E896 PolarHBondContact O-N 3.37Å; Q893-E896 PolarHBondContact O-N 3.47Å
897	E	95.8	Very high	91.7	Very high	113 Å²	113	61.9 Å²	61.9	53%	0.528	29%	0.289	S	S	.	.	H	α-helix	trans	-84.4	-39.4	179.9	-73.2	177.4	-166.7	0	0	114	Q893	Q893-E897 HydrophobicContact CG-CG 4.4Å; Q893-E897 WeakPolarHBondContact CG-OE1 3.48Å; Q893-E897 PolarHBondContact NE2-OE1 3.41Å; Q893-E897 WeakPolarHBondContact O-CB 3.42Å; Q893-E897 WeakPolarHBondContact O-CG 3.34Å; Q893-E897 PolarHBondContact O-N 3.08Å
898	Y	93.8	Very high	91.8	Very high	134 Å²	134	56.2 Å²	56.2	53%	0.525	26%	0.263	S	S	.	.	H	α-helix	trans	-110.4	-6.3	-173.8	-54.4	-56.5	0	0	0	114.4	M894 Y902	M894-Y898 HydrophobicContact CB-CD2 4.2Å; M894-Y898 HydrophobicContact CB-CE2 4.46Å; M894-Y898 HydrophobicContact CG-CE2 4.29Å; M894-Y898 WeakPolarHBondContact O-CB 3.37Å; M894-Y898 VanDerWaalsContact O-CD2 3.27Å; M894-Y898 WeakPolarHBondContact O-CD2 3.44Å; M894-Y898 PolarHBondContact O-N 3.45Å; Y898-Y902 VanDerWaalsContact CB-CB 3.43Å; Y898-Y902 VanDerWaalsContact CB-CG 3.45Å; Y898-Y902 AromaticContact CD2-CD1 3.54Å; Y898-Y902 HydrophobicContact CD2-CD1 3.54Å; Y898-Y902 AromaticContact CD2-CD2 3.99Å; Y898-Y902 HydrophobicContact CD2-CD2 3.99Å; Y898-Y902 AromaticContact CD2-CE1 3.55Å; Y898-Y902 HydrophobicContact CD2-CE1 3.55Å; Y898-Y902 AromaticContact CD2-CE2 4Å; Y898-Y902 HydrophobicContact CD2-CE2 4Å; Y898-Y902 AromaticContact CD2-CG 3.77Å; Y898-Y902 HydrophobicContact CD2-CG 3.77Å; Y898-Y902 AromaticContact CD2-CZ 3.78Å; Y898-Y902 HydrophobicContact CE2-CD1 4.44Å; Y898-Y902 HydrophobicContact CE2-CE1 4.01Å; Y898-Y902 HydrophobicContact CE2-CE2 4.39Å; Y898-Y902 AromaticContact CE2-CZ 3.98Å; Y898-Y902 HydrophobicContact CG-CD1 4.15Å; Y898-Y902 HydrophobicContact CG-CD2 4Å; Y898-Y902 HydrophobicContact CG-CE1 4.46Å; Y898-Y902 HydrophobicContact CG-CE2 4.32Å; Y898-Y902 AromaticContact CG-CG 3.91Å; Y898-Y902 HydrophobicContact CG-CG 3.91Å
899	G	92	Very high	91.7	Very high	22 Å²	22	54.5 Å²	54.5	23%	0.227	26%	0.257	C	S	.	.			trans	81.6	175.5	177.6	0	0	0	0	0	115.4	Y895 Y901 Y902	Y895-G899 WeakPolarHBondContact O-CA 3.43Å; Y895-G899 PolarHBondContact O-N 3.06Å; G899-Y901 PolarHBondContact O-N 3.46Å; G899-Y902 PolarHBondContact O-N 3.29Å; G899-Y902 VanDerWaalsContact O-N 3.16Å
900	P	91.4	Very high	91.5	Very high	35 Å²	35	54.6 Å²	54.6	23%	0.227	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-3.6	-168.1	29.1	-38	0	0	0	115.5	S130 T133 Y895 F903	S130-P900 VanDerWaalsContact OG-CB 3.32Å; S130-P900 WeakPolarHBondContact OG-CB 3.37Å; S130-P900 VanDerWaalsContact OG-CG 3.26Å; S130-P900 WeakPolarHBondContact OG-CG 3.48Å; T133-P900 HydrophobicContact CG2-CB 4.46Å; Y895-P900 HydrophobicContact CD2-CB 4.39Å; Y895-P900 HydrophobicContact CE2-CB 3.91Å; P900-F903 WeakPolarHBondContact O-CE2 3.45Å
901	Y	89.6	Confident	90.6	Very high	139 Å²	139	59.4 Å²	59.4	55%	0.545	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-10.7	177.5	-67.4	-91.1	0	0	0	113.2	G126 S130 G899 F903	G126-Y901 WeakPolarHBondContact O-CE1 3.4Å; S130-Y901 WeakPolarHBondContact OG-CE2 3.45Å; G899-Y901 PolarHBondContact O-N 3.46Å; Y901-F903 WeakPolarHBondContact O-CD2 3.33Å
902	Y	90.1	Very high	89.3	Confident	81 Å²	81	61.6 Å²	61.6	32%	0.318	28%	0.281	S	S	.	.			trans	-85.6	118.4	-172.7	179.1	-93.9	0	0	0	113.7	T890 M894 Y898 G899	T890-Y902 HydrophobicContact CG2-CD1 4.36Å; T890-Y902 PolarHBondContact OG1-O 3.48Å; M894-Y902 HydrophobicContact CB-CD1 4.34Å; M894-Y902 HydrophobicContact CB-CE1 4.23Å; M894-Y902 HydrophobicContact SD-CE1 4.39Å; Y898-Y902 VanDerWaalsContact CB-CB 3.43Å; Y898-Y902 VanDerWaalsContact CB-CG 3.45Å; Y898-Y902 AromaticContact CD2-CD1 3.54Å; Y898-Y902 HydrophobicContact CD2-CD1 3.54Å; Y898-Y902 AromaticContact CD2-CD2 3.99Å; Y898-Y902 HydrophobicContact CD2-CD2 3.99Å; Y898-Y902 AromaticContact CD2-CE1 3.55Å; Y898-Y902 HydrophobicContact CD2-CE1 3.55Å; Y898-Y902 AromaticContact CD2-CE2 4Å; Y898-Y902 HydrophobicContact CD2-CE2 4Å; Y898-Y902 AromaticContact CD2-CG 3.77Å; Y898-Y902 HydrophobicContact CD2-CG 3.77Å; Y898-Y902 AromaticContact CD2-CZ 3.78Å; Y898-Y902 HydrophobicContact CE2-CD1 4.44Å; Y898-Y902 HydrophobicContact CE2-CE1 4.01Å; Y898-Y902 HydrophobicContact CE2-CE2 4.39Å; Y898-Y902 AromaticContact CE2-CZ 3.98Å; Y898-Y902 HydrophobicContact CG-CD1 4.15Å; Y898-Y902 HydrophobicContact CG-CD2 4Å; Y898-Y902 HydrophobicContact CG-CE1 4.46Å; Y898-Y902 HydrophobicContact CG-CE2 4.32Å; Y898-Y902 AromaticContact CG-CG 3.91Å; Y898-Y902 HydrophobicContact CG-CG 3.91Å; G899-Y902 PolarHBondContact O-N 3.29Å; G899-Y902 VanDerWaalsContact O-N 3.16Å
903	F	87.2	Confident	87.4	Confident	39 Å²	39	69.2 Å²	69.2	17%	0.171	31%	0.309	C	S	.	.			trans	-139.2	154.3	173.5	-59.7	-79.5	0	0	0	110.5	R129 T133 Y147 P900 Y901	R129-F903 HydrophobicContact CG-CE2 4.12Å; R129-F903 HydrophobicContact CG-CZ 4.26Å; T133-F903 HydrophobicContact CG2-CE1 4.33Å; T133-F903 HydrophobicContact CG2-CZ 3.72Å; T133-F903 WeakPolarHBondContact OG1-CZ 3.32Å; Y147-F903 AromaticContact CD2-CD1 3.83Å; Y147-F903 HydrophobicContact CD2-CD1 3.83Å; Y147-F903 AromaticContact CD2-CE1 3.64Å; Y147-F903 HydrophobicContact CD2-CE1 3.64Å; Y147-F903 HydrophobicContact CD2-CG 4.48Å; Y147-F903 HydrophobicContact CD2-CZ 4.16Å; Y147-F903 HydrophobicContact CE2-CD1 4.16Å; Y147-F903 AromaticContact CE2-CE1 3.48Å; Y147-F903 HydrophobicContact CE2-CE1 3.48Å; Y147-F903 VanDerWaalsContact CE2-CE1 3.48Å; Y147-F903 AromaticContact CE2-CZ 3.71Å; Y147-F903 HydrophobicContact CE2-CZ 3.71Å; P900-F903 WeakPolarHBondContact O-CE2 3.45Å; Y901-F903 WeakPolarHBondContact O-CD2 3.33Å
904	K	87.8	Confident	85.2	Confident	52 Å²	52	69.9 Å²	69.9	23%	0.226	32%	0.315	C	S	.	.			trans	-84.5	126.9	174	-59.6	175.3	-177.8	165.1	0	109.3	Q887 Y889 M894 H906	Q887-K904 WeakPolarHBondContact O-CD 3.39Å; Q887-K904 WeakPolarHBondContact O-CE 3.4Å; Q887-K904 PolarHBondContact O-NZ 3.41Å; Y889-K904 WeakPolarHBondContact O-CE 3.44Å; Y889-K904 PolarHBondContact O-NZ 2.99Å; M894-K904 VanDerWaalsContact SD-CE 3.6Å; K904-H906 PolarHBondContact O-N 2.8Å
905	D	85.2	Confident	82.5	Confident	89 Å²	89	74.2 Å²	74.2	48%	0.476	34%	0.339	S	S	.	.			trans	-60.4	135.5	171.4	-72.3	-56.5	0	0	0	110.5	Y888 R911 Y912	Y888-D905 WeakPolarHBondContact CE1-O 3.29Å; D905-R911 WeakPolarHBondContact OD1-CA 3.49Å; D905-Y912 PolarHBondContact OD1-N 2.88Å; D905-Y912 VanDerWaalsContact OD1-N 3.1Å
906	H	87	Confident	79.5	Confident	17 Å²	17	79.5 Å²	79.5	8%	0.079	37%	0.373	C	S	.	.			trans	-150.3	162.5	176.8	74.2	92.3	0	0	0	111.3	Y147 F879 Y888 K904 L908 G909	Y147-H906 PolarHBondContact O-CE1 2.62Å; Y147-H906 VanDerWaalsContact O-CE1 3.24Å; Y147-H906 PolarHBondContact O-NE2 3.37Å; F879-H906 AromaticContact CE1-CE1 3.94Å; F879-H906 AromaticContact CE1-ND1 3.55Å; F879-H906 HydrophobicContact CZ-CB 4.42Å; F879-H906 AromaticContact CZ-ND1 3.64Å; Y888-H906 HydrophobicContact CD1-CB 3.32Å; Y888-H906 HydrophobicContact CD2-CB 3.94Å; Y888-H906 HydrophobicContact CE1-CB 3.59Å; Y888-H906 HydrophobicContact CE2-CB 4.18Å; Y888-H906 HydrophobicContact CG-CB 3.5Å; Y888-H906 VanDerWaalsContact CG-CB 3.5Å; K904-H906 PolarHBondContact O-N 2.8Å; H906-L908 VanDerWaalsContact CE1-C 3.45Å; H906-L908 PolarHBondContact ND1-N 3.25Å; H906-L908 PolarHBondContact O-N 3.49Å; H906-L908 VanDerWaalsContact O-N 3.13Å; H906-G909 PolarHBondContact CE1-N 2.86Å; H906-G909 PolarHBondContact ND1-N 3.36Å; H906-G909 PolarHBondContact O-N 3.41Å
907	P	84.1	Confident	76.3	Confident	17 Å²	17	83.9 Å²	83.9	11%	0.11	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-20.5	-169	-25.7	37	0	0	0	116	L195 L197	L195-P907 HydrophobicContact CB-CB 4.34Å; L195-P907 HydrophobicContact CB-CG 4.02Å; L195-P907 HydrophobicContact CD1-CG 3.92Å; L197-P907 HydrophobicContact CB-CB 4.09Å
908	L	90.5	Very high	75.4	Confident	1 Å²	1	82.4 Å²	82.4	1%	0.005	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	0.8	177.6	-46.4	-174.5	0	0	0	112.8	Y148 V149 L152 A153 Y156 L197 F879 H906	Y148-L908 CarbonylContact C-O 3.55Å; Y148-L908 WeakPolarHBondContact CA-O 3.41Å; V149-L908 PolarHBondContact N-O 3.1Å; L152-L908 HydrophobicContact CB-CB 4.45Å; L152-L908 HydrophobicContact CB-CD2 4.29Å; A153-L908 HydrophobicContact CB-CD1 4.36Å; Y156-L908 HydrophobicContact CD1-CD1 4.04Å; Y156-L908 HydrophobicContact CG-CD1 4.33Å; Y156-L908 HydrophobicContact CG-CD2 4.13Å; L197-L908 HydrophobicContact CD1-CD2 3.77Å; F879-L908 HydrophobicContact CB-CD1 3.58Å; F879-L908 HydrophobicContact CD1-CD1 3.83Å; F879-L908 HydrophobicContact CD1-CG 4.47Å; F879-L908 HydrophobicContact CD2-CD1 3.71Å; F879-L908 HydrophobicContact CD2-CG 4.18Å; F879-L908 HydrophobicContact CE1-CD1 4.41Å; F879-L908 HydrophobicContact CE2-CD1 4.32Å; F879-L908 HydrophobicContact CE2-CG 4.32Å; F879-L908 HydrophobicContact CG-CD1 3.43Å; F879-L908 VanDerWaalsContact CG-CD1 3.43Å; F879-L908 HydrophobicContact CG-CG 4.26Å; H906-L908 VanDerWaalsContact CE1-C 3.45Å; H906-L908 PolarHBondContact ND1-N 3.25Å; H906-L908 PolarHBondContact O-N 3.49Å; H906-L908 VanDerWaalsContact O-N 3.13Å
909	G	90.1	Very high	74.4	Confident	6 Å²	6	79.7 Å²	79.7	6%	0.062	39%	0.387	C	S	.	.	S	Bend	trans	-96.5	165.9	-178.9	0	0	0	0	0	112.9	H906	H906-G909 PolarHBondContact CE1-N 2.86Å; H906-G909 PolarHBondContact ND1-N 3.36Å; H906-G909 PolarHBondContact O-N 3.41Å
910	N	90.1	Very high	73.4	Confident	10 Å²	10	82.9 Å²	82.9	5%	0.053	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-69.5	130.6	163.1	-76.9	-58.2	0	0	0	109.8	E120 V121 L122 C123 Y912	E120-N910 VanDerWaalsContact CD-ND2 3.32Å; E120-N910 PolarHBondContact OE1-ND2 2.92Å; V121-N910 PolarHBondContact O-ND2 3.32Å; L122-N910 WeakPolarHBondContact CA-OD1 3.47Å; C123-N910 PolarHBondContact N-OD1 3.08Å; N910-Y912 HydrophobicContact CB-CE2 3.54Å; N910-Y912 VanDerWaalsContact O-CD2 3.28Å; N910-Y912 WeakPolarHBondContact O-CD2 3.46Å; N910-Y912 VanDerWaalsContact O-CE2 3.28Å; N910-Y912 WeakPolarHBondContact O-CE2 3.33Å
911	R	77.2	Confident	72.4	Confident	103 Å²	103	85.7 Å²	85.7	39%	0.389	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-82.3	127	177	-68.1	-175.6	-177.9	168.6	1.3	111.4	N198 D905	N198-R911 VanDerWaalsContact OD1-CZ 3.29Å; N198-R911 PolarHBondContact OD1-NH1 3.05Å; N198-R911 PolarHBondContact OD1-NH2 2.68Å; D905-R911 WeakPolarHBondContact OD1-CA 3.49Å
912	Y	66.6	Low	71.3	Confident	85 Å²	85	82.4 Å²	82.4	33%	0.333	40%	0.398	S	S	.	.			trans	-97	108	179.8	-77.7	-87.4	0	0	0	111.9	N124 R129 D905 N910 I914	N124-Y912 PolarHBondContact O-OH 3.26Å; R129-Y912 VanDerWaalsContact NH1-CZ 3.31Å; R129-Y912 PolarHBondContact NH2-OH 3.49Å; D905-Y912 PolarHBondContact OD1-N 2.88Å; D905-Y912 VanDerWaalsContact OD1-N 3.1Å; N910-Y912 HydrophobicContact CB-CE2 3.54Å; N910-Y912 VanDerWaalsContact O-CD2 3.28Å; N910-Y912 WeakPolarHBondContact O-CD2 3.46Å; N910-Y912 VanDerWaalsContact O-CE2 3.28Å; N910-Y912 WeakPolarHBondContact O-CE2 3.33Å; Y912-I914 PolarHBondContact O-N 3.19Å
913	W	55.3	Low	70	Confident	198 Å²	198	82.5 Å²	82.5	75%	0.75	40%	0.403	S	S	*	.			trans	-68.6	89	165.1	-68.8	64	0	0	0	107.8	Q202 N915	Q202-W913 VanDerWaalsContact NE2-CH2 3.28Å; Q202-W913 VanDerWaalsContact NE2-CZ2 3.29Å; W913-N915 PolarHBondContact O-N 3.44Å
914	I	48.2	Very low	68.8	Low	134 Å²	134	85.6 Å²	85.6	69%	0.687	42%	0.419	S	S	*	.			trans	-52.9	129.3	161.2	-60.6	175	0	0	0	106.2	Y912 T916	Y912-I914 PolarHBondContact O-N 3.19Å; I914-T916 VanDerWaalsContact C-N 3.28Å; I914-T916 HydrophobicContact CG2-CG2 4.49Å; I914-T916 PolarHBondContact O-N 3.41Å
915	N	38.6	Very low	67.4	Low	141 Å²	141	88.2 Å²	88.2	75%	0.754	43%	0.434	S	S	*	.			trans	-67.2	88.9	175.2	-94.2	-22.4	0	0	0	109.4	W913 N917	W913-N915 PolarHBondContact O-N 3.44Å; N915-N917 PolarHBondContact O-N 2.91Å; N915-N917 VanDerWaalsContact O-N 3.07Å
916	T	33.3	Very low	65.9	Low	131 Å²	131	88.1 Å²	88.1	80%	0.804	43%	0.431	S	S	*	.			trans	-82	67.4	169.3	57.8	0	0	0	0	109.5	I914	I914-T916 VanDerWaalsContact C-N 3.28Å; I914-T916 HydrophobicContact CG2-CG2 4.49Å; I914-T916 PolarHBondContact O-N 3.41Å
917	N	29.3	Very low	63.9	Low	214 Å²	214	94.5 Å²	94.5	100%	1.144	46%	0.463	S	S	*	.			trans	-120.4	0	171.7	-78.2	-27.5	0	0	0	109	N915	N915-N917 PolarHBondContact O-N 2.91Å; N915-N917 VanDerWaalsContact O-N 3.07Å

Retrieved 917 of 917 residues in 1625.2 ms (Link to these results)

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