A0A3Q0KF85_SCHMA Loading...

U3 small nucleolar RNA-associated protein 15 homolog

Ribosome biogenesis factor. Involved in nucleolar processing of pre-18S ribosomal RNA. Required for optimal pre-ribosomal RNA transcription by RNA polymerase I. Part of the small subunit (SSU) processome, first precursor of the small eukaryotic ribosomal subunit. During the assembly of the SSU processome in the nucleolus, many ribosome biogenesis factors, an RNA chaperone and ribosomal proteins associate with the nascent pre-rRNA and work in concert to generate RNA folding, modifications, rearrangements and cleavage as well as targeted degradation of pre-ribosomal RNA by the RNA exosome.

AlphaFold DB , UniProt , Accession A0A3Q0KF85, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 613 aa.

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(Predicted Aligned Error values between residue pairs)

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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	36.3	Very low	35.8	Very low	243 Å²	243	123.8 Å²	123.8	100%	1.197	70%	0.701	S	S	*	*				0	98.5	0	-70.2	-175.7	172.4	0	0	107.4
2	M	31.3	Very low	35.5	Very low	183 Å²	183	125.8 Å²	125.8	90%	0.901	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-71.6	126.6	178.5	-72.5	-72	-174.5	0	0	108.1	S4	M2-S4 PolarHBondContact O-N 3.14Å; M2-S4 VanDerWaalsContact O-N 3.15Å
3	P	36.2	Very low	35.6	Very low	117 Å²	117	121.2 Å²	121.2	76%	0.76	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-62.6	121.2	179.1	25.3	-30	0	0	0	108	T5	P3-T5 PolarHBondContact O-N 3.39Å
4	S	35	Very low	35.8	Very low	89 Å²	89	122.3 Å²	122.3	62%	0.622	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-56.2	127.1	-179.4	44.6	0	0	0	0	109.7	M2 H6	M2-S4 PolarHBondContact O-N 3.14Å; M2-S4 VanDerWaalsContact O-N 3.15Å; S4-H6 PolarHBondContact O-N 3.23Å
5	T	35.8	Very low	35.9	Very low	118 Å²	118	124.8 Å²	124.8	72%	0.724	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.5	22.7	-177	43	0	0	0	0	114.1	P3	P3-T5 PolarHBondContact O-N 3.39Å
6	H	34.8	Very low	35.9	Very low	152 Å²	152	124.9 Å²	124.9	70%	0.704	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.9	-6	-173.8	-75.6	-56.5	0	0	0	114.9	S4	S4-H6 PolarHBondContact O-N 3.23Å
7	S	39.7	Very low	36.3	Very low	90 Å²	90	124.9 Å²	124.9	63%	0.629	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	-21.6	-176.8	61	0	0	0	0	115.3	P11	S7-P11 VanDerWaalsContact O-CD 3.28Å; S7-P11 WeakPolarHBondContact O-CD 3.08Å
8	I	39.6	Very low	36.8	Very low	134 Å²	134	121.1 Å²	121.1	69%	0.687	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.5	-25.1	-173.3	-56.2	173.6	0	0	0	112.1	P11	I8-P11 VanDerWaalsContact O-CD 3.31Å; I8-P11 WeakPolarHBondContact O-CD 3.41Å; I8-P11 WeakPolarHBondContact O-CG 3.31Å
9	L	31.5	Very low	37.4	Very low	114 Å²	114	121 Å²	121	60%	0.597	64%	0.644	S	S	*	*	H	α-helix	trans	-77.6	-29.6	179.9	-82.3	156.6	0	0	0	113.3	Y12 V13	L9-Y12 PolarHBondContact O-N 3.07Å; L9-V13 WeakPolarHBondContact O-CG2 3.16Å; L9-V13 PolarHBondContact O-N 2.75Å
10	A	41.1	Very low	38.6	Very low	54 Å²	54	117.2 Å²	117.2	45%	0.446	62%	0.623	S	S	.	*	H	α-helix	trans	-56.1	-49.1	178.3	0	0	0	0	0	113.8	Y12 Q14	A10-Y12 VanDerWaalsContact C-N 3.32Å; A10-Y12 PolarHBondContact O-N 2.86Å; A10-Q14 WeakPolarHBondContact O-CG 2.84Å; A10-Q14 PolarHBondContact O-N 2.84Å
11	P	32.7	Very low	39.9	Very low	68 Å²	68	111.8 Å²	111.8	44%	0.442	60%	0.595	S	S	.	*	H	α-helix	trans	-70.8	-27.4	178.1	26.2	-34.6	0	0	0	113	S7 I8 K15	S7-P11 VanDerWaalsContact O-CD 3.28Å; S7-P11 WeakPolarHBondContact O-CD 3.08Å; I8-P11 VanDerWaalsContact O-CD 3.31Å; I8-P11 WeakPolarHBondContact O-CD 3.41Å; I8-P11 WeakPolarHBondContact O-CG 3.31Å; P11-K15 WeakPolarHBondContact O-CB 3.46Å; P11-K15 PolarHBondContact O-N 3.21Å
12	Y	31.9	Very low	41.5	Very low	148 Å²	148	100.5 Å²	100.5	58%	0.58	54%	0.539	S	S	*	.	H	α-helix	trans	-75.3	-37.5	179.2	-160.9	-92.4	0	0	0	111.9	L9 A10 K15 K16	L9-Y12 PolarHBondContact O-N 3.07Å; A10-Y12 VanDerWaalsContact C-N 3.32Å; A10-Y12 PolarHBondContact O-N 2.86Å; Y12-K15 PolarHBondContact O-N 3Å; Y12-K16 HydrophobicContact CE1-CD 4.18Å; Y12-K16 HydrophobicContact CE1-CG 4.4Å; Y12-K16 PolarHBondContact O-N 3.44Å
13	V	36.7	Very low	43.4	Very low	66 Å²	66	96.2 Å²	96.2	40%	0.4	52%	0.52	S	S	.	.	H	α-helix	trans	-69.1	-45.7	174.1	176.5	0	0	0	0	110.4	L9 K15 K16 E17	L9-V13 WeakPolarHBondContact O-CG2 3.16Å; L9-V13 PolarHBondContact O-N 2.75Å; V13-K15 VanDerWaalsContact C-N 3.27Å; V13-K15 PolarHBondContact O-N 2.64Å; V13-K16 CarbonylContact O-C 3.57Å; V13-K16 PolarHBondContact O-N 3.37Å; V13-E17 HydrophobicContact CG1-CG 4.24Å; V13-E17 WeakPolarHBondContact O-CB 3.41Å; V13-E17 WeakPolarHBondContact O-CG 3.48Å; V13-E17 PolarHBondContact O-N 3.25Å
14	Q	38.3	Very low	45.3	Very low	136 Å²	136	91.6 Å²	91.6	64%	0.636	49%	0.49	S	S	*	.	H	α-helix	trans	-59.9	-36.6	173.8	-75.6	179.3	-13	0	0	112.4	A10 A18	A10-Q14 WeakPolarHBondContact O-CG 2.84Å; A10-Q14 PolarHBondContact O-N 2.84Å; Q14-A18 WeakPolarHBondContact O-CB 3.27Å; Q14-A18 PolarHBondContact O-N 3.41Å
15	K	37.5	Very low	47.6	Very low	160 Å²	160	87.8 Å²	87.8	70%	0.696	46%	0.462	S	S	*	.	H	α-helix	trans	-66.5	-39.9	173	-90.4	-176.9	175.6	178.3	0	112.7	P11 Y12 V13 A18 I19	P11-K15 WeakPolarHBondContact O-CB 3.46Å; P11-K15 PolarHBondContact O-N 3.21Å; Y12-K15 PolarHBondContact O-N 3Å; V13-K15 VanDerWaalsContact C-N 3.27Å; V13-K15 PolarHBondContact O-N 2.64Å; K15-A18 CarbonylContact O-C 3.52Å; K15-A18 PolarHBondContact O-N 3.18Å; K15-I19 WeakPolarHBondContact O-CG1 3.18Å; K15-I19 PolarHBondContact O-N 3.26Å; K15-I19 VanDerWaalsContact O-N 3.12Å
16	K	36.6	Very low	49.9	Very low	127 Å²	127	87.2 Å²	87.2	55%	0.552	45%	0.45	S	S	*	.	H	α-helix	trans	-70.8	-35.5	175.6	-91.7	-168.5	171.7	-178.2	0	112.7	Y12 V13 A18 I19	Y12-K16 HydrophobicContact CE1-CD 4.18Å; Y12-K16 HydrophobicContact CE1-CG 4.4Å; Y12-K16 PolarHBondContact O-N 3.44Å; V13-K16 CarbonylContact O-C 3.57Å; V13-K16 PolarHBondContact O-N 3.37Å; K16-A18 VanDerWaalsContact C-N 3.31Å; K16-I19 HydrophobicContact CB-CD1 4.4Å; K16-I19 HydrophobicContact CG-CD1 3.94Å; K16-I19 VanDerWaalsContact O-CB 3.23Å; K16-I19 WeakPolarHBondContact O-CB 3.37Å; K16-I19 PolarHBondContact O-N 3.31Å; K16-I19 VanDerWaalsContact O-N 3.07Å
17	E	42.5	Very low	52.3	Low	124 Å²	124	85.5 Å²	85.5	58%	0.579	45%	0.446	S	S	*	.	H	α-helix	trans	-70.9	-31.9	173.3	-70.8	176.2	171.7	0	0	111.1	V13 I19	V13-E17 HydrophobicContact CG1-CG 4.24Å; V13-E17 WeakPolarHBondContact O-CB 3.41Å; V13-E17 WeakPolarHBondContact O-CG 3.48Å; V13-E17 PolarHBondContact O-N 3.25Å; E17-I19 PolarHBondContact O-N 3.38Å
18	A	45.5	Very low	54.3	Low	56 Å²	56	81.8 Å²	81.8	46%	0.463	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-6.4	167.8	0	0	0	0	0	113.6	Q14 K15 K16 N20	Q14-A18 WeakPolarHBondContact O-CB 3.27Å; Q14-A18 PolarHBondContact O-N 3.41Å; K15-A18 CarbonylContact O-C 3.52Å; K15-A18 PolarHBondContact O-N 3.18Å; K16-A18 VanDerWaalsContact C-N 3.31Å; A18-N20 WeakPolarHBondContact O-CA 3.08Å
19	I	47.8	Very low	56.4	Low	120 Å²	120	81 Å²	81	62%	0.615	41%	0.414	S	S	*	.	S	Bend	trans	-83.1	105.9	161	-58.1	164.5	0	0	0	106.6	K15 K16 E17	K15-I19 WeakPolarHBondContact O-CG1 3.18Å; K15-I19 PolarHBondContact O-N 3.26Å; K15-I19 VanDerWaalsContact O-N 3.12Å; K16-I19 HydrophobicContact CB-CD1 4.4Å; K16-I19 HydrophobicContact CG-CD1 3.94Å; K16-I19 VanDerWaalsContact O-CB 3.23Å; K16-I19 WeakPolarHBondContact O-CB 3.37Å; K16-I19 PolarHBondContact O-N 3.31Å; K16-I19 VanDerWaalsContact O-N 3.07Å; E17-I19 PolarHBondContact O-N 3.38Å
20	N	60.7	Low	58.9	Low	44 Å²	44	80.7 Å²	80.7	24%	0.235	42%	0.419	C	S	.	.			cis	-138.2	100.2	-22	-139.4	-19.9	0	0	0	98.7	A18 W22 D23 S24 Y291	A18-N20 WeakPolarHBondContact O-CA 3.08Å; N20-W22 PolarHBondContact O-N 2.99Å; N20-D23 HydrophobicContact CB-CB 3.65Å; N20-D23 VanDerWaalsContact CB-CG 3.47Å; N20-D23 WeakPolarHBondContact CB-OD2 3.49Å; N20-D23 PolarHBondContact ND2-OD2 2.88Å; N20-D23 WeakPolarHBondContact O-CA 3.47Å; N20-D23 WeakPolarHBondContact O-CB 3.48Å; N20-D23 PolarHBondContact O-N 2.91Å; N20-S24 PolarHBondContact O-N 2.8Å; N20-Y291 WeakPolarHBondContact ND2-CD2 3.42Å
21	V	65.6	Low	61.1	Low	5 Å²	5	79.7 Å²	79.7	3%	0.03	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.3	-28.1	175.2	177.1	0	0	0	0	110.2	S24 Y25 P263 I264 Y325	V21-S24 PolarHBondContact O-OG 3.43Å; V21-Y25 WeakPolarHBondContact O-CD2 3.39Å; V21-Y25 WeakPolarHBondContact O-CE2 3.49Å; V21-P263 HydrophobicContact CG1-CB 4.46Å; V21-P263 HydrophobicContact CG1-CG 3.34Å; V21-I264 HydrophobicContact CB-CD1 4.43Å; V21-I264 HydrophobicContact CG1-CD1 4.08Å; V21-I264 HydrophobicContact CG1-CG1 4.25Å; V21-I264 HydrophobicContact CG2-CD1 3.43Å; V21-I264 VanDerWaalsContact CG2-CD1 3.43Å; V21-I264 HydrophobicContact CG2-CG1 4.27Å; V21-Y325 HydrophobicContact CG1-CD2 4.18Å; V21-Y325 HydrophobicContact CG1-CE2 3.36Å
22	W	70.1	Confident	63.8	Low	6 Å²	6	82.5 Å²	82.5	2%	0.023	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-26.6	175	-50.4	108.4	0	0	0	116	N20 Y25 H262 V269 F281 Y291 C308	N20-W22 PolarHBondContact O-N 2.99Å; W22-Y25 VanDerWaalsContact CA-CD2 3.44Å; W22-Y25 HydrophobicContact CD2-CE2 4.11Å; W22-Y25 HydrophobicContact CE3-CD2 4.15Å; W22-Y25 AromaticContact CE3-CE2 3.27Å; W22-Y25 HydrophobicContact CE3-CE2 3.27Å; W22-Y25 AromaticContact CE3-CZ 3.56Å; W22-Y25 AromaticContact CZ3-CE2 3.76Å; W22-Y25 HydrophobicContact CZ3-CE2 3.76Å; W22-Y25 AromaticContact CZ3-CZ 3.54Å; W22-Y25 WeakPolarHBondContact CZ3-OH 3.19Å; W22-Y25 WeakPolarHBondContact O-CD2 3.35Å; W22-H262 AromaticContact CZ2-CD2 3.55Å; W22-H262 AromaticContact CZ2-NE2 3.85Å; W22-H262 AromaticContact NE1-NE2 3.85Å; W22-V269 HydrophobicContact CH2-CG1 4.41Å; W22-V269 HydrophobicContact CZ2-CG1 4.22Å; W22-V269 HydrophobicContact CZ2-CG2 4.23Å; W22-F281 AromaticContact CD2-CD1 3.72Å; W22-F281 HydrophobicContact CD2-CD1 3.72Å; W22-F281 HydrophobicContact CD2-CE1 4.1Å; W22-F281 HydrophobicContact CD2-CG 4.24Å; W22-F281 AromaticContact CE2-CD1 3.92Å; W22-F281 AromaticContact CE3-CD1 3.39Å; W22-F281 HydrophobicContact CE3-CD1 3.39Å; W22-F281 AromaticContact CE3-CE1 3.32Å; W22-F281 HydrophobicContact CE3-CE1 3.32Å; W22-F281 HydrophobicContact CE3-CG 4.26Å; W22-F281 HydrophobicContact CE3-CZ 4.08Å; W22-F281 AromaticContact CH2-CD1 3.54Å; W22-F281 HydrophobicContact CH2-CD1 3.54Å; W22-F281 AromaticContact CH2-CE1 3.9Å; W22-F281 HydrophobicContact CH2-CE1 3.9Å; W22-F281 AromaticContact CZ2-CD1 3.84Å; W22-F281 HydrophobicContact CZ2-CD1 3.84Å; W22-F281 AromaticContact CZ3-CD1 3.29Å; W22-F281 HydrophobicContact CZ3-CD1 3.29Å; W22-F281 AromaticContact CZ3-CE1 3.2Å; W22-F281 HydrophobicContact CZ3-CE1 3.2Å; W22-F281 HydrophobicContact CZ3-CG 4.48Å; W22-F281 HydrophobicContact CZ3-CZ 4.3Å; W22-Y291 HydrophobicContact CB-CD1 3.43Å; W22-Y291 VanDerWaalsContact CB-CD1 3.43Å; W22-Y291 HydrophobicContact CB-CD2 3.57Å; W22-Y291 HydrophobicContact CB-CE1 3.8Å; W22-Y291 HydrophobicContact CB-CE2 3.94Å; W22-Y291 HydrophobicContact CB-CG 3.28Å; W22-Y291 HydrophobicContact CG-CD1 4.12Å; W22-Y291 HydrophobicContact CG-CD2 4.35Å; W22-Y291 AromaticContact CG-CG 3.79Å; W22-Y291 HydrophobicContact CG-CG 3.79Å; W22-C308 HydrophobicContact CH2-CB 4.02Å; W22-C308 HydrophobicContact CZ3-CB 3.99Å
23	D	72.4	Confident	66.5	Low	93 Å²	93	76 Å²	76	50%	0.497	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-24.8	171.5	-73.2	-33.7	0	0	0	112.2	N20 Y25 Y291	N20-D23 HydrophobicContact CB-CB 3.65Å; N20-D23 VanDerWaalsContact CB-CG 3.47Å; N20-D23 WeakPolarHBondContact CB-OD2 3.49Å; N20-D23 PolarHBondContact ND2-OD2 2.88Å; N20-D23 WeakPolarHBondContact O-CA 3.47Å; N20-D23 WeakPolarHBondContact O-CB 3.48Å; N20-D23 PolarHBondContact O-N 2.91Å; D23-Y25 PolarHBondContact O-N 3.5Å; D23-Y291 WeakPolarHBondContact OD1-CE2 2.96Å; D23-Y291 VanDerWaalsContact OD1-CZ 3.27Å; D23-Y291 PolarHBondContact OD1-OH 2.67Å
24	S	76	Confident	68.9	Low	20 Å²	20	78.1 Å²	78.1	14%	0.14	40%	0.401	C	S	.	.	S	Bend	trans	-73.1	-8.9	175.2	78	0	0	0	0	113.4	N20 V21 K26 Y325	N20-S24 PolarHBondContact O-N 2.8Å; V21-S24 PolarHBondContact O-OG 3.43Å; S24-K26 PolarHBondContact O-N 3.05Å; S24-K26 VanDerWaalsContact O-N 3.16Å; S24-Y325 WeakPolarHBondContact OG-CE2 3.41Å
25	Y	81.9	Confident	71.3	Confident	9 Å²	9	74.8 Å²	74.8	4%	0.035	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-64.6	117.3	176	-79.4	-107.6	0	0	0	111.2	V21 W22 D23 C308 L311 K323 H324 Y325	V21-Y25 WeakPolarHBondContact O-CD2 3.39Å; V21-Y25 WeakPolarHBondContact O-CE2 3.49Å; W22-Y25 VanDerWaalsContact CA-CD2 3.44Å; W22-Y25 HydrophobicContact CD2-CE2 4.11Å; W22-Y25 HydrophobicContact CE3-CD2 4.15Å; W22-Y25 AromaticContact CE3-CE2 3.27Å; W22-Y25 HydrophobicContact CE3-CE2 3.27Å; W22-Y25 AromaticContact CE3-CZ 3.56Å; W22-Y25 AromaticContact CZ3-CE2 3.76Å; W22-Y25 HydrophobicContact CZ3-CE2 3.76Å; W22-Y25 AromaticContact CZ3-CZ 3.54Å; W22-Y25 WeakPolarHBondContact CZ3-OH 3.19Å; W22-Y25 WeakPolarHBondContact O-CD2 3.35Å; D23-Y25 PolarHBondContact O-N 3.5Å; Y25-C308 VanDerWaalsContact CE1-O 3.29Å; Y25-C308 WeakPolarHBondContact CE1-O 2.88Å; Y25-C308 WeakPolarHBondContact OH-CB 3.3Å; Y25-C308 PolarHBondContact OH-O 3.13Å; Y25-L311 HydrophobicContact CD1-CD1 3.72Å; Y25-L311 HydrophobicContact CD1-CG 4.29Å; Y25-L311 HydrophobicContact CE1-CD1 3.43Å; Y25-L311 VanDerWaalsContact CE1-CD1 3.43Å; Y25-L311 HydrophobicContact CE1-CG 3.76Å; Y25-L311 HydrophobicContact CG-CD1 4.5Å; Y25-K323 HydrophobicContact CD1-CB 3.94Å; Y25-K323 HydrophobicContact CG-CB 4.46Å; Y25-K323 HydrophobicContact CG-CD 4.48Å; Y25-H324 CarbonylContact C-O 3.59Å; Y25-H324 WeakPolarHBondContact CA-O 2.83Å; Y25-Y325 AromaticContact CD2-CD2 3.98Å; Y25-Y325 HydrophobicContact CD2-CD2 3.98Å; Y25-Y325 HydrophobicContact CE1-CG 4.45Å; Y25-Y325 AromaticContact CE2-CD2 3.59Å; Y25-Y325 HydrophobicContact CE2-CD2 3.59Å; Y25-Y325 HydrophobicContact CE2-CE2 4.42Å; Y25-Y325 HydrophobicContact CE2-CG 4.25Å; Y25-Y325 AromaticContact CZ-CD2 3.89Å
26	K	84.7	Confident	73.9	Confident	106 Å²	106	72 Å²	72	46%	0.461	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	140.2	173.1	-64.5	-176.4	-171.4	162.7	0	109.9	S24 G28 K323 H324 D326	S24-K26 PolarHBondContact O-N 3.05Å; S24-K26 VanDerWaalsContact O-N 3.16Å; K26-G28 PolarHBondContact O-N 2.86Å; K26-K323 CarbonylContact O-C 3.58Å; K26-K323 VanDerWaalsContact O-CA 3.32Å; K26-K323 WeakPolarHBondContact O-CA 2.9Å; K26-H324 PolarHBondContact N-O 2.78Å; K26-H324 PolarHBondContact O-N 3.26Å; K26-D326 VanDerWaalsContact CD-OD2 3.26Å; K26-D326 WeakPolarHBondContact CD-OD2 3.35Å; K26-D326 WeakPolarHBondContact CE-OD2 3.47Å; K26-D326 IonicContact NZ-OD2 3.79Å; K26-D326 PolarHBondContact NZ-OD2 3.46Å
27	N	85	Confident	76.5	Confident	115 Å²	115	65.9 Å²	65.9	62%	0.615	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.1	124.1	171.4	-66.5	-39.7	0	0	0	108.8	K323	N27-K323 WeakPolarHBondContact OD1-CE 3.17Å
28	G	81.6	Confident	78.7	Confident	13 Å²	13	64.7 Å²	64.7	13%	0.134	34%	0.336	C	S	.	.			trans	-70.6	-175.3	166.6	0	0	0	0	0	110.8	K26 P30 D66 I322	K26-G28 PolarHBondContact O-N 2.86Å; G28-P30 WeakPolarHBondContact O-CD 3.2Å; G28-D66 WeakPolarHBondContact CA-OD2 3.46Å; G28-I322 PolarHBondContact N-O 2.97Å
29	K	83.7	Confident	80.9	Confident	117 Å²	117	62.8 Å²	62.8	51%	0.509	32%	0.32	S	S	.	.			trans	-70.8	118.7	177.1	-71.4	178.9	179.8	175.9	0	109	L31 D66	K29-L31 PolarHBondContact O-N 3.37Å; K29-D66 HydrophobicContact CB-CB 3.98Å; K29-D66 HydrophobicContact CD-CB 4.41Å; K29-D66 HydrophobicContact CG-CB 4.43Å; K29-D66 PolarHBondContact N-OD2 3.27Å
30	P	83.6	Confident	83	Confident	108 Å²	108	57.7 Å²	57.7	70%	0.701	29%	0.294	S	S	*	.			trans	-63.4	135.7	176.2	27.2	-33.4	0	0	0	109.3	G28	G28-P30 WeakPolarHBondContact O-CD 3.2Å
31	L	87.6	Confident	84.4	Confident	32 Å²	32	55.6 Å²	55.6	17%	0.168	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	138.5	178	-66.1	175.2	0	0	0	109.1	K29 Y50 L52 Y61 V320 I322	K29-L31 PolarHBondContact O-N 3.37Å; L31-Y50 HydrophobicContact CD1-CE2 4.37Å; L31-L52 HydrophobicContact CD1-CD1 4.36Å; L31-Y61 HydrophobicContact CD1-CD1 3.95Å; L31-Y61 HydrophobicContact CD1-CE1 3.57Å; L31-Y61 HydrophobicContact CD1-CE2 4.24Å; L31-Y61 HydrophobicContact CD1-CG 4.47Å; L31-Y61 HydrophobicContact CD2-CE1 4.16Å; L31-V320 HydrophobicContact CB-CB 4.02Å; L31-V320 HydrophobicContact CB-CG1 4.41Å; L31-V320 PolarHBondContact N-O 2.82Å; L31-V320 VanDerWaalsContact N-O 3.14Å; L31-V320 PolarHBondContact O-N 2.86Å; L31-I322 HydrophobicContact CD1-CD1 3.84Å; L31-I322 HydrophobicContact CG-CD1 4.19Å
32	Q	89.2	Confident	85.6	Confident	127 Å²	127	56.6 Å²	56.6	59%	0.593	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.1	110	172.1	-168.3	70.5	34.4	0	0	108.3	H317	Q32-H317 PolarHBondContact NE2-O 3.29Å
33	L	88.6	Confident	86.5	Confident	13 Å²	13	56.3 Å²	56.3	7%	0.068	29%	0.287	C	S	.	.			trans	-88.5	169.1	172.1	-62	177.7	0	0	0	110.3	V37 L52 D54 G318 V320	L33-V37 HydrophobicContact CD1-CG2 3.83Å; L33-L52 HydrophobicContact CD1-CB 3.82Å; L33-L52 HydrophobicContact CD1-CD1 4.16Å; L33-D54 HydrophobicContact CD1-CB 4.35Å; L33-D54 HydrophobicContact CD2-CB 4.27Å; L33-G318 PolarHBondContact N-O 3.03Å; L33-G318 WeakPolarHBondContact O-CA 3.47Å; L33-V320 HydrophobicContact CD1-CG2 4.15Å; L33-V320 HydrophobicContact CG-CG2 4.48Å
34	V	87.7	Confident	87.2	Confident	110 Å²	110	54.8 Å²	54.8	67%	0.667	28%	0.281	S	S	*	.	S	Bend	trans	-81.9	-34.7	-178.3	-177.7	0	0	0	0	110.9	D54	V34-D54 PolarHBondContact N-OD1 3.18Å; V34-D54 VanDerWaalsContact N-OD1 3.13Å
35	H	89.8	Confident	87.7	Confident	65 Å²	65	58.3 Å²	58.3	30%	0.301	30%	0.297	S	S	.	.	S	Bend	trans	-116.5	160.7	-174.1	-61.9	-64.1	0	0	0	113.2	V37 D54 G55 R78 G318	H35-V37 PolarHBondContact O-N 3.13Å; H35-D54 IonicContact CD2-OD1 3.44Å; H35-D54 PolarHBondContact N-OD1 2.82Å; H35-G55 WeakPolarHBondContact CD2-CA 3.38Å; H35-G55 PolarHBondContact CD2-N 3.28Å; H35-R78 PolarHBondContact CE1-NH2 3.36Å; H35-G318 WeakPolarHBondContact O-CA 3.41Å; H35-G318 PolarHBondContact O-N 3.34Å
36	R	91.6	Very high	87.7	Confident	101 Å²	101	61.8 Å²	61.8	38%	0.381	32%	0.321	S	S	.	.			trans	-54.7	130.9	175.9	176.4	179.1	179.5	170.9	9.2	111.2	K38 T300 E316	R36-K38 PolarHBondContact O-N 3.31Å; R36-T300 HydrophobicContact CG-CG2 4.42Å; R36-E316 IonicContact CZ-OE1 3.4Å; R36-E316 IonicContact NE-OE1 2.75Å; R36-E316 IonicContact NH1-OE1 3.4Å; R36-E316 IonicContact NH2-OE1 3.55Å
37	V	91	Very high	87.7	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	33%	0.331	C	S	.	.			trans	-84	97.3	178.5	-175.3	0	0	0	0	109.6	L33 H35 V40 L52 T300 G315 V320	L33-V37 HydrophobicContact CD1-CG2 3.83Å; H35-V37 PolarHBondContact O-N 3.13Å; V37-V40 HydrophobicContact CG1-CG2 4.11Å; V37-L52 HydrophobicContact CG1-CD2 3.9Å; V37-T300 WeakPolarHBondContact O-CB 3.26Å; V37-T300 PolarHBondContact O-OG1 3.15Å; V37-G315 PolarHBondContact N-O 2.85Å; V37-V320 HydrophobicContact CG2-CG2 3.68Å
38	K	89.4	Confident	87.9	Confident	98 Å²	98	59.6 Å²	59.6	43%	0.426	32%	0.315	S	S	.	.			trans	-78.6	-27.6	-178.3	-73.2	-174.9	179.7	-179.6	0	113.8	R36 V80	R36-K38 PolarHBondContact O-N 3.31Å; K38-V80 WeakPolarHBondContact CB-O 3.04Å; K38-V80 HydrophobicContact CD-CG1 3.81Å
39	S	90.4	Very high	88.4	Confident	17 Å²	17	60.8 Å²	60.8	12%	0.119	32%	0.316	C	S	.	.			trans	-146.9	154	179.6	67.2	0	0	0	0	110.8	P53 C81 C82	S39-P53 WeakPolarHBondContact O-CD 3.37Å; S39-C81 WeakPolarHBondContact OG-CA 3.4Å; S39-C82 PolarHBondContact OG-N 2.81Å; S39-C82 PolarHBondContact OG-O 2.95Å
40	V	91.8	Very high	88.8	Confident	13 Å²	13	55.2 Å²	55.2	8%	0.079	29%	0.292	C	S	.	.			trans	-122.7	122.3	172.2	179.1	0	0	0	0	107.5	V37 I42 L52 A301 I312	V37-V40 HydrophobicContact CG1-CG2 4.11Å; V40-I42 HydrophobicContact CG1-CD1 4.36Å; V40-I42 HydrophobicContact CG1-CG1 4.21Å; V40-L52 HydrophobicContact CB-CD2 4.27Å; V40-L52 HydrophobicContact CG1-CD2 4.05Å; V40-L52 HydrophobicContact CG2-CD2 3.77Å; V40-A301 HydrophobicContact CG2-CB 3.89Å; V40-I312 HydrophobicContact CG1-CB 3.98Å; V40-I312 HydrophobicContact CG1-CG2 3.62Å; V40-I312 HydrophobicContact CG2-CG2 4.4Å
41	A	90	Very high	89.2	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	136.7	177.2	0	0	0	0	0	110.2	Y50 G51 L84	A41-Y50 CarbonylContact O-C 3.6Å; A41-Y50 WeakPolarHBondContact O-CA 3.15Å; A41-Y50 VanDerWaalsContact O-CB 3.26Å; A41-Y50 WeakPolarHBondContact O-CB 3.44Å; A41-G51 PolarHBondContact N-O 3.43Å; A41-G51 PolarHBondContact O-N 2.93Å; A41-L84 HydrophobicContact CB-CB 4.35Å; A41-L84 HydrophobicContact CB-CD1 4.22Å; A41-L84 HydrophobicContact CB-CG 3.96Å
42	I	92.1	Very high	89.5	Confident	25 Å²	25	48.6 Å²	48.6	13%	0.128	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	144.5	178.4	-68.8	-179.4	0	0	0	111	V40 G303 T305 I312	V40-I42 HydrophobicContact CG1-CD1 4.36Å; V40-I42 HydrophobicContact CG1-CG1 4.21Å; I42-G303 WeakPolarHBondContact CD1-O 3.41Å; I42-T305 HydrophobicContact CG2-CG2 3.92Å; I42-I312 HydrophobicContact CD1-CD1 3.67Å; I42-I312 HydrophobicContact CG1-CD1 4.06Å
43	S	89.1	Confident	89.7	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.007	22%	0.224	C	C	.	.			trans	-85.8	140.4	169.7	72	0	0	0	0	111.7	I45 Y48 K49	S43-I45 PolarHBondContact OG-O 3Å; S43-Y48 WeakPolarHBondContact O-CD1 3.41Å; S43-Y48 WeakPolarHBondContact OG-CA 3.3Å; S43-K49 PolarHBondContact N-O 2.83Å; S43-K49 PolarHBondContact OG-N 3.12Å; S43-K49 PolarHBondContact OG-O 3.13Å
44	V	85.7	Confident	89.7	Confident	61 Å²	61	43.1 Å²	43.1	37%	0.37	23%	0.226	S	C	.	.	S	Bend	trans	-85.8	-25.4	-178.6	-175	0	0	0	0	111.7	Y48 N86 P306	V44-Y48 WeakPolarHBondContact O-CE1 3.37Å; V44-N86 HydrophobicContact CB-CB 4.43Å; V44-N86 HydrophobicContact CG2-CB 4.45Å; V44-N86 PolarHBondContact N-O 2.92Å; V44-P306 HydrophobicContact CG1-CG 4.07Å; V44-P306 WeakPolarHBondContact O-CG 3.16Å
45	I	86.4	Confident	89.8	Confident	94 Å²	94	38.2 Å²	38.2	48%	0.482	20%	0.198	S	C	.	.	S	Bend	trans	-100.7	137.1	-178.8	-61.6	172.1	0	0	0	110.1	S43 N86	S43-I45 PolarHBondContact OG-O 3Å; I45-N86 PolarHBondContact N-O 2.94Å
46	P	82.1	Confident	89.8	Confident	82 Å²	82	40.1 Å²	40.1	53%	0.532	20%	0.203	S	C	.	.	S	Bend	trans	-68.2	145.8	172.6	27.5	-33.8	0	0	0	111.6	Y48	P46-Y48 HydrophobicContact CB-CE1 4.35Å; P46-Y48 HydrophobicContact CB-CE2 4.24Å
47	P	85.5	Confident	89.8	Confident	104 Å²	104	36.8 Å²	36.8	68%	0.675	19%	0.193	S	C	*	.	S	Bend	cis	-73	127.5	2.8	28.9	-34.4	0	0	0	112	K49	P47-K49 PolarHBondContact O-N 2.85Å
48	Y	89.6	Confident	89.9	Confident	71 Å²	71	36.8 Å²	36.8	28%	0.278	19%	0.193	S	C	.	.	P	Polyproline II helix	trans	-65.4	129.6	-176.3	-57.7	-60.8	0	0	0	111.5	S43 V44 P46 C63 T305 P306	S43-Y48 WeakPolarHBondContact O-CD1 3.41Å; S43-Y48 WeakPolarHBondContact OG-CA 3.3Å; V44-Y48 WeakPolarHBondContact O-CE1 3.37Å; P46-Y48 HydrophobicContact CB-CE1 4.35Å; P46-Y48 HydrophobicContact CB-CE2 4.24Å; Y48-C63 VanDerWaalsContact C-SG 3.6Å; Y48-C63 VanDerWaalsContact CB-SG 3.52Å; Y48-C63 PolarHBondContact O-N 2.8Å; Y48-C63 PolarHBondContact O-SG 3.48Å; Y48-T305 HydrophobicContact CD1-CG2 4.3Å; Y48-T305 HydrophobicContact CD2-CG2 4.41Å; Y48-T305 HydrophobicContact CG-CG2 3.99Å; Y48-P306 HydrophobicContact CE1-CG 3.96Å
49	K	91.1	Very high	90.1	Very high	37 Å²	37	32.2 Å²	32.2	16%	0.161	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	149.8	176.7	-62.7	168.3	-170.7	171.1	0	108.3	S43 P47 Y61 F69 L84	S43-K49 PolarHBondContact N-O 2.83Å; S43-K49 PolarHBondContact OG-N 3.12Å; S43-K49 PolarHBondContact OG-O 3.13Å; P47-K49 PolarHBondContact O-N 2.85Å; K49-Y61 VanDerWaalsContact CA-O 3.29Å; K49-Y61 WeakPolarHBondContact CA-O 3.25Å; K49-F69 HydrophobicContact CB-CE1 4.45Å; K49-F69 HydrophobicContact CD-CE1 4.24Å; K49-F69 HydrophobicContact CD-CZ 3.97Å; K49-F69 HydrophobicContact CG-CE1 4.18Å; K49-F69 HydrophobicContact CG-CZ 4.41Å; K49-L84 HydrophobicContact CB-CD1 4.46Å
50	Y	92.6	Very high	90.2	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	151.9	171.1	65.2	-85.5	0	0	0	111.7	L31 A41 L52 L60 Y61 C63 D66 I312 I322	L31-Y50 HydrophobicContact CD1-CE2 4.37Å; A41-Y50 CarbonylContact O-C 3.6Å; A41-Y50 WeakPolarHBondContact O-CA 3.15Å; A41-Y50 VanDerWaalsContact O-CB 3.26Å; A41-Y50 WeakPolarHBondContact O-CB 3.44Å; Y50-L52 HydrophobicContact CD2-CD1 4.04Å; Y50-L52 HydrophobicContact CD2-CG 4.04Å; Y50-L52 HydrophobicContact CE2-CD1 3.77Å; Y50-L52 HydrophobicContact CE2-CG 4.28Å; Y50-L60 CarbonylContact O-C 3.58Å; Y50-L60 WeakPolarHBondContact O-CA 3.43Å; Y50-Y61 AromaticContact CD2-CD2 3.95Å; Y50-Y61 HydrophobicContact CD2-CD2 3.95Å; Y50-Y61 HydrophobicContact CD2-CG 4.26Å; Y50-Y61 VanDerWaalsContact CE1-CB 3.41Å; Y50-Y61 HydrophobicContact CE1-CG 4.35Å; Y50-Y61 VanDerWaalsContact CE2-CB 3.42Å; Y50-Y61 HydrophobicContact CE2-CD1 4.41Å; Y50-Y61 AromaticContact CE2-CD2 3.47Å; Y50-Y61 HydrophobicContact CE2-CD2 3.47Å; Y50-Y61 VanDerWaalsContact CE2-CD2 3.47Å; Y50-Y61 HydrophobicContact CE2-CE2 4.33Å; Y50-Y61 AromaticContact CE2-CG 3.54Å; Y50-Y61 HydrophobicContact CE2-CG 3.54Å; Y50-Y61 AromaticContact CZ-CG 3.61Å; Y50-Y61 PolarHBondContact N-O 3.03Å; Y50-Y61 PolarHBondContact O-N 2.78Å; Y50-Y61 WeakPolarHBondContact OH-CB 3.47Å; Y50-C63 HydrophobicContact CD1-CB 4.48Å; Y50-C63 VanDerWaalsContact CD1-SG 3.52Å; Y50-D66 PolarHBondContact OH-OD1 3.04Å; Y50-I312 HydrophobicContact CD1-CD1 3.56Å; Y50-I312 HydrophobicContact CD1-CG1 4.32Å; Y50-I312 HydrophobicContact CD2-CD1 4Å; Y50-I312 HydrophobicContact CD2-CG1 4.35Å; Y50-I312 HydrophobicContact CD2-CG2 4.16Å; Y50-I312 HydrophobicContact CE1-CD1 4.17Å; Y50-I312 HydrophobicContact CE1-CG1 4.49Å; Y50-I312 HydrophobicContact CE2-CG2 4.38Å; Y50-I312 HydrophobicContact CG-CD1 3.43Å; Y50-I312 VanDerWaalsContact CG-CD1 3.43Å; Y50-I312 HydrophobicContact CG-CG1 4.23Å; Y50-I322 HydrophobicContact CE2-CD1 4.28Å; Y50-I322 WeakPolarHBondContact OH-CD1 3.41Å
51	G	91.9	Very high	90.2	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.01	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	136.6	179.9	0	0	0	0	0	111.2	A41 N59	A41-G51 PolarHBondContact N-O 3.43Å; A41-G51 PolarHBondContact O-N 2.93Å; G51-N59 CarbonylContact C-O 3.6Å; G51-N59 WeakPolarHBondContact CA-O 3.41Å
52	L	94	Very high	90.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	126.6	179.3	-63.2	168.6	0	0	0	109.7	L31 L33 V37 V40 Y50 N59 Y61 I312 V320	L31-L52 HydrophobicContact CD1-CD1 4.36Å; L33-L52 HydrophobicContact CD1-CB 3.82Å; L33-L52 HydrophobicContact CD1-CD1 4.16Å; V37-L52 HydrophobicContact CG1-CD2 3.9Å; V40-L52 HydrophobicContact CB-CD2 4.27Å; V40-L52 HydrophobicContact CG1-CD2 4.05Å; V40-L52 HydrophobicContact CG2-CD2 3.77Å; Y50-L52 HydrophobicContact CD2-CD1 4.04Å; Y50-L52 HydrophobicContact CD2-CG 4.04Å; Y50-L52 HydrophobicContact CE2-CD1 3.77Å; Y50-L52 HydrophobicContact CE2-CG 4.28Å; L52-N59 PolarHBondContact N-O 3.28Å; L52-N59 PolarHBondContact O-N 3.48Å; L52-Y61 HydrophobicContact CB-CE2 4.39Å; L52-Y61 HydrophobicContact CD1-CD2 4.18Å; L52-Y61 HydrophobicContact CD1-CE2 3.84Å; L52-Y61 HydrophobicContact CG-CE2 4.4Å; L52-I312 HydrophobicContact CD2-CG2 4.32Å; L52-V320 HydrophobicContact CD1-CG1 3.99Å; L52-V320 HydrophobicContact CD1-CG2 4.07Å
53	P	92.6	Very high	90	Very high	3 Å²	3	35.7 Å²	35.7	2%	0.019	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	136.7	174.1	32.7	-30.9	0	0	0	109.9	S39 V79	S39-P53 WeakPolarHBondContact O-CD 3.37Å; P53-V79 HydrophobicContact CB-CB 4.22Å; P53-V79 HydrophobicContact CB-CG1 3.65Å
54	D	89.7	Confident	89.8	Confident	22 Å²	22	40.8 Å²	40.8	12%	0.118	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	87.4	-179.6	-174.6	24.4	0	0	0	109.7	L33 V34 H35 Y56 N57 N59	L33-D54 HydrophobicContact CD1-CB 4.35Å; L33-D54 HydrophobicContact CD2-CB 4.27Å; V34-D54 PolarHBondContact N-OD1 3.18Å; V34-D54 VanDerWaalsContact N-OD1 3.13Å; H35-D54 IonicContact CD2-OD1 3.44Å; H35-D54 PolarHBondContact N-OD1 2.82Å; D54-Y56 PolarHBondContact O-N 3.5Å; D54-Y56 VanDerWaalsContact O-N 3.11Å; D54-N57 PolarHBondContact N-O 3.28Å; D54-N57 PolarHBondContact O-N 2.74Å; D54-N59 WeakPolarHBondContact CB-ND2 3.3Å; D54-N59 PolarHBondContact OD2-ND2 3.07Å
55	G	89.3	Confident	89.7	Confident	7 Å²	7	40 Å²	40	7%	0.072	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.6	-109.6	-179	0	0	0	0	0	112	H35 N57 R78 V79	H35-G55 WeakPolarHBondContact CD2-CA 3.38Å; H35-G55 PolarHBondContact CD2-N 3.28Å; G55-N57 VanDerWaalsContact C-N 3.33Å; G55-R78 WeakPolarHBondContact O-CA 3.27Å; G55-V79 PolarHBondContact O-N 2.96Å
56	Y	90.8	Very high	89.8	Confident	105 Å²	105	36.1 Å²	36.1	41%	0.412	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	13.9	178.8	-63.5	-93.3	0	0	0	112.9	D54 F75 A77 R78	D54-Y56 PolarHBondContact O-N 3.5Å; D54-Y56 VanDerWaalsContact O-N 3.11Å; Y56-F75 VanDerWaalsContact O-CD2 3.27Å; Y56-F75 WeakPolarHBondContact O-CD2 3.49Å; Y56-A77 WeakPolarHBondContact CD1-O 3.45Å; Y56-R78 HydrophobicContact CD1-CG 4.37Å; Y56-R78 HydrophobicContact CD2-CG 4.42Å; Y56-R78 HydrophobicContact CE1-CG 3.82Å; Y56-R78 HydrophobicContact CE2-CG 3.84Å
57	N	91.8	Very high	90.1	Very high	32 Å²	32	38.7 Å²	38.7	17%	0.171	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	158.4	-175.7	-56.6	-62.7	0	0	0	111	D54 G55 K71 L72 S73	D54-N57 PolarHBondContact N-O 3.28Å; D54-N57 PolarHBondContact O-N 2.74Å; G55-N57 VanDerWaalsContact C-N 3.33Å; N57-K71 HydrophobicContact CB-CG 4.24Å; N57-K71 WeakPolarHBondContact ND2-CE 3.45Å; N57-K71 PolarHBondContact ND2-NZ 2.8Å; N57-K71 VanDerWaalsContact OD1-CE 3.3Å; N57-K71 WeakPolarHBondContact OD1-CE 3.47Å; N57-L72 CarbonylContact C-O 3.56Å; N57-L72 WeakPolarHBondContact CA-O 3.4Å; N57-L72 WeakPolarHBondContact CB-O 3.45Å; N57-S73 WeakPolarHBondContact OD1-CA 3.44Å; N57-S73 WeakPolarHBondContact OD1-CB 3.16Å
58	V	92.2	Very high	90.3	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	122.5	166.1	-177.9	0	0	0	0	108.7	L60 L72 F75 V79 C82 V93	V58-L60 HydrophobicContact CG1-CD2 4.15Å; V58-L72 HydrophobicContact CB-CB 3.99Å; V58-L72 HydrophobicContact CB-CD1 4.17Å; V58-L72 HydrophobicContact CB-CG 4.39Å; V58-L72 HydrophobicContact CG1-CD1 4.43Å; V58-L72 PolarHBondContact N-O 2.8Å; V58-L72 WeakPolarHBondContact O-CB 3.29Å; V58-L72 PolarHBondContact O-N 2.81Å; V58-F75 HydrophobicContact CG2-CE2 4.29Å; V58-F75 HydrophobicContact CG2-CZ 4.41Å; V58-V79 HydrophobicContact CG2-CB 4.33Å; V58-V79 HydrophobicContact CG2-CG1 3.78Å; V58-V79 HydrophobicContact CG2-CG2 4.06Å; V58-C82 HydrophobicContact CG1-CB 4.2Å; V58-C82 HydrophobicContact CG2-CB 4.35Å; V58-V93 HydrophobicContact CG2-CG1 3.96Å; V58-V93 HydrophobicContact CG2-CG2 3.98Å
59	N	93	Very high	90.3	Very high	2 Å²	2	39 Å²	39	1%	0.011	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	124.4	-179.2	-68.6	-39.6	0	0	0	109.3	G51 L52 D54 Y61 R68	G51-N59 CarbonylContact C-O 3.6Å; G51-N59 WeakPolarHBondContact CA-O 3.41Å; L52-N59 PolarHBondContact N-O 3.28Å; L52-N59 PolarHBondContact O-N 3.48Å; D54-N59 WeakPolarHBondContact CB-ND2 3.3Å; D54-N59 PolarHBondContact OD2-ND2 3.07Å; N59-Y61 HydrophobicContact CB-CD2 4.36Å; N59-Y61 HydrophobicContact CB-CE2 3.42Å; N59-Y61 VanDerWaalsContact CB-CE2 3.42Å; N59-R68 WeakPolarHBondContact OD1-CD 3.43Å; N59-R68 PolarHBondContact OD1-NH1 2.83Å
60	L	93	Very high	90.1	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	132.9	178.4	-55.2	178.3	0	0	0	110.8	Y50 V58 R68 F69 R70 L72 V91 T105	Y50-L60 CarbonylContact O-C 3.58Å; Y50-L60 WeakPolarHBondContact O-CA 3.43Å; V58-L60 HydrophobicContact CG1-CD2 4.15Å; L60-R68 WeakPolarHBondContact O-CA 3.4Å; L60-R68 WeakPolarHBondContact O-CG 3.35Å; L60-F69 HydrophobicContact CB-CD1 4.27Å; L60-F69 HydrophobicContact CB-CE1 3.56Å; L60-F69 HydrophobicContact CB-CE2 4.26Å; L60-F69 HydrophobicContact CB-CZ 3.55Å; L60-F69 HydrophobicContact CD1-CE2 4.42Å; L60-F69 HydrophobicContact CD1-CZ 4.03Å; L60-F69 HydrophobicContact CG-CZ 4.45Å; L60-F69 VanDerWaalsContact O-CD1 3.3Å; L60-F69 WeakPolarHBondContact O-CD1 3.34Å; L60-F69 PolarHBondContact O-N 3.45Å; L60-R70 HydrophobicContact CB-CB 4.26Å; L60-R70 HydrophobicContact CD1-CB 4.35Å; L60-R70 PolarHBondContact N-O 3.1Å; L60-R70 PolarHBondContact O-N 2.67Å; L60-L72 HydrophobicContact CD1-CD1 4.19Å; L60-L72 HydrophobicContact CD1-CD2 4.29Å; L60-L72 HydrophobicContact CD1-CG 4.24Å; L60-L72 HydrophobicContact CG-CD1 4.47Å; L60-L72 HydrophobicContact CG-CG 4.43Å; L60-V91 HydrophobicContact CD1-CG2 4.2Å; L60-V91 HydrophobicContact CD2-CG2 4.09Å; L60-T105 HydrophobicContact CD1-CG2 3.8Å
61	Y	92.3	Very high	90	Very high	13 Å²	13	43.2 Å²	43.2	5%	0.051	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	153.7	-173.6	-61.5	-95.1	0	0	0	111.1	L31 K49 Y50 L52 N59 R68	L31-Y61 HydrophobicContact CD1-CD1 3.95Å; L31-Y61 HydrophobicContact CD1-CE1 3.57Å; L31-Y61 HydrophobicContact CD1-CE2 4.24Å; L31-Y61 HydrophobicContact CD1-CG 4.47Å; L31-Y61 HydrophobicContact CD2-CE1 4.16Å; K49-Y61 VanDerWaalsContact CA-O 3.29Å; K49-Y61 WeakPolarHBondContact CA-O 3.25Å; Y50-Y61 AromaticContact CD2-CD2 3.95Å; Y50-Y61 HydrophobicContact CD2-CD2 3.95Å; Y50-Y61 HydrophobicContact CD2-CG 4.26Å; Y50-Y61 VanDerWaalsContact CE1-CB 3.41Å; Y50-Y61 HydrophobicContact CE1-CG 4.35Å; Y50-Y61 VanDerWaalsContact CE2-CB 3.42Å; Y50-Y61 HydrophobicContact CE2-CD1 4.41Å; Y50-Y61 AromaticContact CE2-CD2 3.47Å; Y50-Y61 HydrophobicContact CE2-CD2 3.47Å; Y50-Y61 VanDerWaalsContact CE2-CD2 3.47Å; Y50-Y61 HydrophobicContact CE2-CE2 4.33Å; Y50-Y61 AromaticContact CE2-CG 3.54Å; Y50-Y61 HydrophobicContact CE2-CG 3.54Å; Y50-Y61 AromaticContact CZ-CG 3.61Å; Y50-Y61 PolarHBondContact N-O 3.03Å; Y50-Y61 PolarHBondContact O-N 2.78Å; Y50-Y61 WeakPolarHBondContact OH-CB 3.47Å; L52-Y61 HydrophobicContact CB-CE2 4.39Å; L52-Y61 HydrophobicContact CD1-CD2 4.18Å; L52-Y61 HydrophobicContact CD1-CE2 3.84Å; L52-Y61 HydrophobicContact CG-CE2 4.4Å; N59-Y61 HydrophobicContact CB-CD2 4.36Å; N59-Y61 HydrophobicContact CB-CE2 3.42Å; N59-Y61 VanDerWaalsContact CB-CE2 3.42Å; Y61-R68 VanDerWaalsContact CD1-CA 3.47Å; Y61-R68 HydrophobicContact CD1-CB 3.76Å; Y61-R68 HydrophobicContact CD1-CG 4.28Å; Y61-R68 HydrophobicContact CE1-CB 3.47Å; Y61-R68 VanDerWaalsContact CE1-CB 3.47Å; Y61-R68 HydrophobicContact CE1-CG 3.94Å
62	K	90.9	Very high	89.9	Confident	110 Å²	110	43.1 Å²	43.1	48%	0.478	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	123	171.2	-67.8	179.5	178.6	-177.1	0	109	A64 S65 D66 K67 F69	K62-A64 VanDerWaalsContact C-N 3.31Å; K62-A64 PolarHBondContact O-N 2.95Å; K62-S65 PolarHBondContact O-N 3.16Å; K62-D66 WeakPolarHBondContact O-CA 3.26Å; K62-D66 PolarHBondContact O-N 3.37Å; K62-K67 PolarHBondContact N-O 2.89Å; K62-F69 HydrophobicContact CG-CB 4.46Å; K62-F69 HydrophobicContact CG-CD1 3.72Å; K62-F69 HydrophobicContact CG-CE1 4.31Å; K62-F69 HydrophobicContact CG-CG 4.31Å
63	C	86.4	Confident	89.7	Confident	3 Å²	3	46 Å²	46	2%	0.02	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-43.5	-178.1	-63.3	0	0	0	0	112.3	Y48 Y50 S65 H324	Y48-C63 VanDerWaalsContact C-SG 3.6Å; Y48-C63 VanDerWaalsContact CB-SG 3.52Å; Y48-C63 PolarHBondContact O-N 2.8Å; Y48-C63 PolarHBondContact O-SG 3.48Å; Y50-C63 HydrophobicContact CD1-CB 4.48Å; Y50-C63 VanDerWaalsContact CD1-SG 3.52Å; C63-S65 PolarHBondContact O-N 3.21Å; C63-H324 PolarHBondContact O-CE1 2.95Å; C63-H324 PolarHBondContact O-NE2 2.98Å
64	A	84.5	Confident	89.2	Confident	108 Å²	108	48.4 Å²	48.4	89%	0.893	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-17.3	-174.8	0	0	0	0	0	115.2	K62	K62-A64 VanDerWaalsContact C-N 3.31Å; K62-A64 PolarHBondContact O-N 2.95Å
65	S	84.5	Confident	89.1	Confident	45 Å²	45	48.1 Å²	48.1	32%	0.315	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.1	-9.2	-174.1	64.1	0	0	0	0	114.3	K62 C63 K67	K62-S65 PolarHBondContact O-N 3.16Å; C63-S65 PolarHBondContact O-N 3.21Å; S65-K67 PolarHBondContact O-N 2.78Å; S65-K67 PolarHBondContact OG-N 3.29Å
66	D	87.7	Confident	89	Confident	12 Å²	12	51.1 Å²	51.1	6%	0.064	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.7	21.7	-168.6	-66.4	-34.8	0	0	0	115.1	G28 K29 Y50 K62 I322 H324	G28-D66 WeakPolarHBondContact CA-OD2 3.46Å; K29-D66 HydrophobicContact CB-CB 3.98Å; K29-D66 HydrophobicContact CD-CB 4.41Å; K29-D66 HydrophobicContact CG-CB 4.43Å; K29-D66 PolarHBondContact N-OD2 3.27Å; Y50-D66 PolarHBondContact OH-OD1 3.04Å; K62-D66 WeakPolarHBondContact O-CA 3.26Å; K62-D66 PolarHBondContact O-N 3.37Å; D66-I322 HydrophobicContact CB-CD1 4.45Å; D66-H324 IonicContact OD1-CE1 3.43Å; D66-H324 IonicContact OD1-NE2 3.16Å; D66-H324 PolarHBondContact OD1-NE2 3.45Å; D66-H324 IonicContact OD2-NE2 2.67Å; D66-H324 PolarHBondContact OD2-NE2 2.92Å; D66-H324 VanDerWaalsContact OD2-NE2 3.13Å
67	K	89.3	Confident	89	Confident	137 Å²	137	47.1 Å²	47.1	60%	0.596	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.7	129.2	177.5	-69.1	-179.1	-178.3	179.7	0	109.6	K62 S65 F69	K62-K67 PolarHBondContact N-O 2.89Å; S65-K67 PolarHBondContact O-N 2.78Å; S65-K67 PolarHBondContact OG-N 3.29Å; K67-F69 PolarHBondContact O-N 2.61Å
68	R	89.6	Confident	88.9	Confident	122 Å²	122	49.9 Å²	49.9	46%	0.46	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	116.9	169.3	-164.9	173.3	92.2	-173.1	-4.5	108.2	N59 L60 Y61 R70	N59-R68 WeakPolarHBondContact OD1-CD 3.43Å; N59-R68 PolarHBondContact OD1-NH1 2.83Å; L60-R68 WeakPolarHBondContact O-CA 3.4Å; L60-R68 WeakPolarHBondContact O-CG 3.35Å; Y61-R68 VanDerWaalsContact CD1-CA 3.47Å; Y61-R68 HydrophobicContact CD1-CB 3.76Å; Y61-R68 HydrophobicContact CD1-CG 4.28Å; Y61-R68 HydrophobicContact CE1-CB 3.47Å; Y61-R68 VanDerWaalsContact CE1-CB 3.47Å; Y61-R68 HydrophobicContact CE1-CG 3.94Å; R68-R70 WeakPolarHBondContact CG-O 3.32Å
69	F	88.3	Confident	89	Confident	59 Å²	59	50.4 Å²	50.4	26%	0.259	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	-19.6	176.4	74.2	-88.8	0	0	0	111.9	K49 L60 K62 K67	K49-F69 HydrophobicContact CB-CE1 4.45Å; K49-F69 HydrophobicContact CD-CE1 4.24Å; K49-F69 HydrophobicContact CD-CZ 3.97Å; K49-F69 HydrophobicContact CG-CE1 4.18Å; K49-F69 HydrophobicContact CG-CZ 4.41Å; L60-F69 HydrophobicContact CB-CD1 4.27Å; L60-F69 HydrophobicContact CB-CE1 3.56Å; L60-F69 HydrophobicContact CB-CE2 4.26Å; L60-F69 HydrophobicContact CB-CZ 3.55Å; L60-F69 HydrophobicContact CD1-CE2 4.42Å; L60-F69 HydrophobicContact CD1-CZ 4.03Å; L60-F69 HydrophobicContact CG-CZ 4.45Å; L60-F69 VanDerWaalsContact O-CD1 3.3Å; L60-F69 WeakPolarHBondContact O-CD1 3.34Å; L60-F69 PolarHBondContact O-N 3.45Å; K62-F69 HydrophobicContact CG-CB 4.46Å; K62-F69 HydrophobicContact CG-CD1 3.72Å; K62-F69 HydrophobicContact CG-CE1 4.31Å; K62-F69 HydrophobicContact CG-CG 4.31Å; K67-F69 PolarHBondContact O-N 2.61Å
70	R	88.4	Confident	88.9	Confident	31 Å²	31	50.8 Å²	50.8	12%	0.117	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	148.8	178.3	-170	163	-168.8	178.6	3.9	113.7	L60 R68 L72 T104 T105 D106 K107 K109	L60-R70 HydrophobicContact CB-CB 4.26Å; L60-R70 HydrophobicContact CD1-CB 4.35Å; L60-R70 PolarHBondContact N-O 3.1Å; L60-R70 PolarHBondContact O-N 2.67Å; R68-R70 WeakPolarHBondContact CG-O 3.32Å; R70-L72 HydrophobicContact CG-CD2 4Å; R70-T104 PolarHBondContact NH1-O 2.8Å; R70-T105 VanDerWaalsContact CD-O 3.3Å; R70-T105 WeakPolarHBondContact CD-O 3.46Å; R70-T105 PolarHBondContact NH1-O 3.37Å; R70-D106 PolarHBondContact NH1-O 3.11Å; R70-K107 PolarHBondContact NH2-O 3.21Å; R70-K109 PolarHBondContact NH1-O 2.78Å; R70-K109 PolarHBondContact NH2-O 3.06Å
71	K	90.5	Very high	88.8	Confident	94 Å²	94	50.9 Å²	50.9	41%	0.409	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	126.6	165.1	-174	-178.2	179.3	-176.1	0	108.4	N57	N57-K71 HydrophobicContact CB-CG 4.24Å; N57-K71 WeakPolarHBondContact ND2-CE 3.45Å; N57-K71 PolarHBondContact ND2-NZ 2.8Å; N57-K71 VanDerWaalsContact OD1-CE 3.3Å; N57-K71 WeakPolarHBondContact OD1-CE 3.47Å
72	L	90.1	Very high	88.8	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	122.7	170.3	-60.6	-169.3	0	0	0	106.9	N57 V58 L60 R70 F75 V91 C103 F110	N57-L72 CarbonylContact C-O 3.56Å; N57-L72 WeakPolarHBondContact CA-O 3.4Å; N57-L72 WeakPolarHBondContact CB-O 3.45Å; V58-L72 HydrophobicContact CB-CB 3.99Å; V58-L72 HydrophobicContact CB-CD1 4.17Å; V58-L72 HydrophobicContact CB-CG 4.39Å; V58-L72 HydrophobicContact CG1-CD1 4.43Å; V58-L72 PolarHBondContact N-O 2.8Å; V58-L72 WeakPolarHBondContact O-CB 3.29Å; V58-L72 PolarHBondContact O-N 2.81Å; L60-L72 HydrophobicContact CD1-CD1 4.19Å; L60-L72 HydrophobicContact CD1-CD2 4.29Å; L60-L72 HydrophobicContact CD1-CG 4.24Å; L60-L72 HydrophobicContact CG-CD1 4.47Å; L60-L72 HydrophobicContact CG-CG 4.43Å; R70-L72 HydrophobicContact CG-CD2 4Å; L72-F75 HydrophobicContact CB-CE2 3.89Å; L72-F75 HydrophobicContact CB-CZ 4.11Å; L72-V91 HydrophobicContact CD1-CB 4.3Å; L72-V91 HydrophobicContact CD1-CG1 4.34Å; L72-V91 HydrophobicContact CD1-CG2 4.18Å; L72-C103 HydrophobicContact CD1-CB 4.17Å; L72-F110 HydrophobicContact CB-CD2 4.44Å; L72-F110 HydrophobicContact CB-CE2 3.41Å; L72-F110 VanDerWaalsContact CB-CE2 3.41Å; L72-F110 HydrophobicContact CB-CZ 3.96Å; L72-F110 HydrophobicContact CD1-CE2 4.23Å; L72-F110 HydrophobicContact CD2-CD2 3.59Å; L72-F110 HydrophobicContact CD2-CE2 3.41Å; L72-F110 VanDerWaalsContact CD2-CE2 3.41Å; L72-F110 HydrophobicContact CG-CD2 4.46Å; L72-F110 HydrophobicContact CG-CE2 3.8Å
73	S	88.6	Confident	89	Confident	59 Å²	59	47.4 Å²	47.4	41%	0.413	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	159	-175.3	57	0	0	0	0	110.5	N57 F110	N57-S73 WeakPolarHBondContact OD1-CA 3.44Å; N57-S73 WeakPolarHBondContact OD1-CB 3.16Å; S73-F110 WeakPolarHBondContact O-CE1 3.5Å; S73-F110 WeakPolarHBondContact O-CZ 3.48Å
74	G	82.8	Confident	89.3	Confident	55 Å²	55	47.8 Å²	47.8	57%	0.567	27%	0.268	S	S	*	.			trans	105.4	15.2	-175.7	0	0	0	0	0	113.4	R101	G74-R101 PolarHBondContact O-NH1 2.86Å
75	F	87.9	Confident	89.7	Confident	15 Å²	15	45.4 Å²	45.4	7%	0.066	24%	0.236	C	C	.	.			trans	-71.6	143.5	171.8	-60.7	-78.8	0	0	0	110.4	Y56 V58 L72 V79 V93 E95 R101 F110 H111	Y56-F75 VanDerWaalsContact O-CD2 3.27Å; Y56-F75 WeakPolarHBondContact O-CD2 3.49Å; V58-F75 HydrophobicContact CG2-CE2 4.29Å; V58-F75 HydrophobicContact CG2-CZ 4.41Å; L72-F75 HydrophobicContact CB-CE2 3.89Å; L72-F75 HydrophobicContact CB-CZ 4.11Å; F75-V79 HydrophobicContact CB-CG2 4.24Å; F75-V79 HydrophobicContact CD1-CG2 4.32Å; F75-V79 HydrophobicContact CD2-CG2 3.89Å; F75-V79 HydrophobicContact CE2-CG2 4.3Å; F75-V79 HydrophobicContact CG-CG2 3.88Å; F75-V93 HydrophobicContact CD1-CG1 4.1Å; F75-V93 HydrophobicContact CE1-CB 3.81Å; F75-V93 HydrophobicContact CE1-CG1 3.64Å; F75-V93 HydrophobicContact CE1-CG2 4Å; F75-V93 HydrophobicContact CZ-CB 4.2Å; F75-V93 HydrophobicContact CZ-CG1 3.98Å; F75-V93 HydrophobicContact CZ-CG2 3.9Å; F75-E95 WeakPolarHBondContact CA-OE1 3.4Å; F75-E95 WeakPolarHBondContact CB-OE1 3.39Å; F75-E95 HydrophobicContact CD1-CG 4.37Å; F75-E95 WeakPolarHBondContact CD1-OE1 3.46Å; F75-R101 HydrophobicContact CE1-CB 4.23Å; F75-R101 HydrophobicContact CE1-CG 4.49Å; F75-F110 HydrophobicContact CE2-CZ 4.03Å; F75-F110 HydrophobicContact CZ-CE2 4.41Å; F75-F110 AromaticContact CZ-CZ 3.92Å; F75-F110 HydrophobicContact CZ-CZ 3.92Å; F75-H111 AromaticContact CE1-CE1 3.95Å
76	S	86.5	Confident	89.9	Confident	71 Å²	71	44.8 Å²	44.8	50%	0.497	23%	0.23	S	C	.	.	S	Bend	trans	-77.9	-36.1	-175.6	28.4	0	0	0	0	111.9	E95 R101	S76-E95 PolarHBondContact N-OE1 2.89Å; S76-E95 PolarHBondContact N-OE2 3.4Å; S76-E95 PolarHBondContact OG-OE1 2.9Å; S76-E95 PolarHBondContact OG-OE2 2.83Å; S76-R101 PolarHBondContact OG-NH2 3.48Å
77	A	90.3	Very high	89.8	Confident	20 Å²	20	46.4 Å²	46.4	17%	0.165	24%	0.238	C	C	.	.	S	Bend	trans	-125.2	178	175.6	0	0	0	0	0	110.4	Y56 E95 E96	Y56-A77 WeakPolarHBondContact CD1-O 3.45Å; A77-E95 HydrophobicContact CB-CB 4.29Å; A77-E95 PolarHBondContact N-OE2 3.41Å; A77-E96 HydrophobicContact CB-CB 4.36Å
78	R	91.2	Very high	89.7	Confident	90 Å²	90	40 Å²	40	34%	0.34	21%	0.211	S	C	.	.			trans	-63.7	140.7	178.1	-58.1	-178.2	106.8	97.7	0.7	109.7	H35 G55 Y56 V80 E95 E96	H35-R78 PolarHBondContact CE1-NH2 3.36Å; G55-R78 WeakPolarHBondContact O-CA 3.27Å; Y56-R78 HydrophobicContact CD1-CG 4.37Å; Y56-R78 HydrophobicContact CD2-CG 4.42Å; Y56-R78 HydrophobicContact CE1-CG 3.82Å; Y56-R78 HydrophobicContact CE2-CG 3.84Å; R78-V80 PolarHBondContact O-N 3.44Å; R78-E95 CarbonylContact O-C 3.59Å; R78-E95 WeakPolarHBondContact O-CA 3.37Å; R78-E96 HydrophobicContact CB-CB 4.47Å; R78-E96 WeakPolarHBondContact CB-OE2 3.25Å; R78-E96 WeakPolarHBondContact CD-OE2 3.37Å; R78-E96 PolarHBondContact O-N 2.69Å
79	V	92.6	Very high	89.7	Confident	12 Å²	12	39.5 Å²	39.5	7%	0.073	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	121.5	173.9	178.6	0	0	0	0	108.6	P53 G55 V58 F75 V93	P53-V79 HydrophobicContact CB-CB 4.22Å; P53-V79 HydrophobicContact CB-CG1 3.65Å; G55-V79 PolarHBondContact O-N 2.96Å; V58-V79 HydrophobicContact CG2-CB 4.33Å; V58-V79 HydrophobicContact CG2-CG1 3.78Å; V58-V79 HydrophobicContact CG2-CG2 4.06Å; F75-V79 HydrophobicContact CB-CG2 4.24Å; F75-V79 HydrophobicContact CD1-CG2 4.32Å; F75-V79 HydrophobicContact CD2-CG2 3.89Å; F75-V79 HydrophobicContact CE2-CG2 4.3Å; F75-V79 HydrophobicContact CG-CG2 3.88Å; V79-V93 HydrophobicContact CB-CG1 4.1Å; V79-V93 HydrophobicContact CG1-CG1 3.36Å; V79-V93 HydrophobicContact CG2-CG1 3.66Å
80	V	91.6	Very high	89.8	Confident	9 Å²	9	37.6 Å²	37.6	6%	0.055	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	-42.6	-178.8	178.8	0	0	0	0	110.7	K38 R78 G94 E96 I122	K38-V80 WeakPolarHBondContact CB-O 3.04Å; K38-V80 HydrophobicContact CD-CG1 3.81Å; R78-V80 PolarHBondContact O-N 3.44Å; V80-G94 PolarHBondContact N-O 3.46Å; V80-E96 HydrophobicContact CG2-CB 3.79Å; V80-E96 HydrophobicContact CG2-CG 4.46Å; V80-I122 WeakPolarHBondContact CB-O 3.39Å; V80-I122 WeakPolarHBondContact CG1-O 3.5Å
81	C	91.3	Very high	90.1	Very high	4 Å²	4	36.1 Å²	36.1	3%	0.027	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	153.2	178.8	65.3	0	0	0	0	111.4	S39 G94	S39-C81 WeakPolarHBondContact OG-CA 3.4Å; C81-G94 PolarHBondContact N-O 2.85Å; C81-G94 PolarHBondContact O-N 3.41Å
82	C	92.5	Very high	90.2	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	146.5	169.1	66.4	0	0	0	0	110.8	S39 V58 V91 I92	S39-C82 PolarHBondContact OG-N 2.81Å; S39-C82 PolarHBondContact OG-O 2.95Å; V58-C82 HydrophobicContact CG1-CB 4.2Å; V58-C82 HydrophobicContact CG2-CB 4.35Å; C82-V91 HydrophobicContact CB-CG1 4.41Å; C82-I92 CarbonylContact C-O 3.56Å; C82-I92 WeakPolarHBondContact CA-O 3.2Å
83	N	93.9	Very high	90.4	Very high	50 Å²	50	31.7 Å²	31.7	27%	0.267	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	147.7	171.2	-93.2	-48	0	0	0	111.3	V91 I92 A125	N83-V91 CarbonylContact O-C 3.58Å; N83-V91 WeakPolarHBondContact O-CA 3.38Å; N83-I92 PolarHBondContact N-O 2.75Å; N83-I92 PolarHBondContact O-N 2.94Å; N83-A125 WeakPolarHBondContact CB-O 3.33Å; N83-A125 PolarHBondContact ND2-O 2.98Å
84	L	93.4	Very high	90.6	Very high	10 Å²	10	28.9 Å²	28.9	5%	0.052	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	146.5	176.8	-80.7	166.3	0	0	0	108.9	A41 K49 L90 V91 T105	A41-L84 HydrophobicContact CB-CB 4.35Å; A41-L84 HydrophobicContact CB-CD1 4.22Å; A41-L84 HydrophobicContact CB-CG 3.96Å; K49-L84 HydrophobicContact CB-CD1 4.46Å; L84-L90 WeakPolarHBondContact CA-O 3.41Å; L84-V91 HydrophobicContact CD2-CB 4.41Å; L84-V91 HydrophobicContact CD2-CG2 3.37Å; L84-V91 HydrophobicContact CG-CG2 4.37Å; L84-T105 HydrophobicContact CD2-CG2 3.79Å
85	R	92.6	Very high	91.1	Very high	58 Å²	58	26.2 Å²	26.2	22%	0.219	13%	0.133	C	C	.	.			trans	-70.6	154.3	165.6	-170.9	168.6	77	160.9	2.8	109.4	D87 G88 L90 F127 G131	R85-D87 WeakPolarHBondContact CB-OD1 3.06Å; R85-D87 WeakPolarHBondContact CG-OD1 3.05Å; R85-D87 IonicContact CZ-OD1 3.75Å; R85-D87 IonicContact CZ-OD2 2.73Å; R85-D87 VanDerWaalsContact NE-CG 3.26Å; R85-D87 IonicContact NE-OD1 3.87Å; R85-D87 PolarHBondContact NE-OD1 3.25Å; R85-D87 IonicContact NE-OD2 3.97Å; R85-D87 PolarHBondContact NE-OD2 3.48Å; R85-D87 IonicContact NH2-OD1 3.13Å; R85-D87 IonicContact NH2-OD2 3.43Å; R85-D87 PolarHBondContact NH2-OD2 2.84Å; R85-D87 PolarHBondContact O-N 2.89Å; R85-D87 VanDerWaalsContact O-N 3.09Å; R85-G88 WeakPolarHBondContact O-CA 3.29Å; R85-G88 PolarHBondContact O-N 3.24Å; R85-L90 HydrophobicContact CB-CB 3.99Å; R85-L90 PolarHBondContact N-O 3.39Å; R85-F127 HydrophobicContact CB-CD1 4.43Å; R85-F127 HydrophobicContact CB-CD2 3.74Å; R85-F127 HydrophobicContact CB-CE1 4.43Å; R85-F127 HydrophobicContact CB-CE2 3.74Å; R85-F127 HydrophobicContact CB-CG 4.09Å; R85-F127 HydrophobicContact CB-CZ 4.08Å; R85-F127 HydrophobicContact CG-CD1 4.42Å; R85-F127 HydrophobicContact CG-CD2 4.44Å; R85-F127 HydrophobicContact CG-CG 4.29Å; R85-G131 WeakPolarHBondContact CD-O 3.34Å; R85-G131 PolarHBondContact NH1-O 2.85Å
86	N	88.7	Confident	91.3	Very high	33 Å²	33	30 Å²	30	18%	0.176	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-35.4	-177.5	-68.1	-5.8	0	0	0	113.7	V44 I45 G88 Y129	V44-N86 HydrophobicContact CB-CB 4.43Å; V44-N86 HydrophobicContact CG2-CB 4.45Å; V44-N86 PolarHBondContact N-O 2.92Å; I45-N86 PolarHBondContact N-O 2.94Å; N86-G88 VanDerWaalsContact C-N 3.29Å; N86-G88 PolarHBondContact O-N 3.39Å; N86-Y129 WeakPolarHBondContact ND2-CA 3.36Å; N86-Y129 WeakPolarHBondContact ND2-CD1 3.13Å; N86-Y129 PolarHBondContact ND2-O 3.19Å
87	D	86.6	Confident	91.4	Very high	45 Å²	45	28.7 Å²	28.7	24%	0.241	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-8.2	177.1	74	-22.5	0	0	0	114.8	R85 K89	R85-D87 WeakPolarHBondContact CB-OD1 3.06Å; R85-D87 WeakPolarHBondContact CG-OD1 3.05Å; R85-D87 IonicContact CZ-OD1 3.75Å; R85-D87 IonicContact CZ-OD2 2.73Å; R85-D87 VanDerWaalsContact NE-CG 3.26Å; R85-D87 IonicContact NE-OD1 3.87Å; R85-D87 PolarHBondContact NE-OD1 3.25Å; R85-D87 IonicContact NE-OD2 3.97Å; R85-D87 PolarHBondContact NE-OD2 3.48Å; R85-D87 IonicContact NH2-OD1 3.13Å; R85-D87 IonicContact NH2-OD2 3.43Å; R85-D87 PolarHBondContact NH2-OD2 2.84Å; R85-D87 PolarHBondContact O-N 2.89Å; R85-D87 VanDerWaalsContact O-N 3.09Å; D87-K89 HydrophobicContact CB-CG 4.49Å; D87-K89 PolarHBondContact O-N 2.83Å; D87-K89 PolarHBondContact OD1-N 3.2Å; D87-K89 VanDerWaalsContact OD1-N 3.09Å; D87-K89 WeakPolarHBondContact OD2-CB 3.33Å; D87-K89 WeakPolarHBondContact OD2-CD 3.32Å; D87-K89 WeakPolarHBondContact OD2-CG 3.48Å
88	G	86.1	Confident	91.4	Very high	2 Å²	2	27.8 Å²	27.8	2%	0.021	14%	0.141	C	C	.	.	S	Bend	trans	67.8	15	-179.1	0	0	0	0	0	114.7	R85 N86 T105	R85-G88 WeakPolarHBondContact O-CA 3.29Å; R85-G88 PolarHBondContact O-N 3.24Å; N86-G88 VanDerWaalsContact C-N 3.29Å; N86-G88 PolarHBondContact O-N 3.39Å; G88-T105 VanDerWaalsContact O-CG2 3.29Å; G88-T105 WeakPolarHBondContact O-CG2 3.31Å; G88-T105 PolarHBondContact O-OG1 3.4Å
89	K	88.9	Confident	91.5	Very high	113 Å²	113	24.3 Å²	24.3	49%	0.491	13%	0.13	S	C	.	.	S	Bend	trans	-96.1	-27.4	179.9	-61	-175.2	-176.1	173.2	0	113.2	D87 T104 T105	D87-K89 HydrophobicContact CB-CG 4.49Å; D87-K89 PolarHBondContact O-N 2.83Å; D87-K89 PolarHBondContact OD1-N 3.2Å; D87-K89 VanDerWaalsContact OD1-N 3.09Å; D87-K89 WeakPolarHBondContact OD2-CB 3.33Å; D87-K89 WeakPolarHBondContact OD2-CD 3.32Å; D87-K89 WeakPolarHBondContact OD2-CG 3.48Å; K89-T104 CarbonylContact O-C 3.56Å; K89-T104 WeakPolarHBondContact O-CA 3.37Å; K89-T105 WeakPolarHBondContact CA-OG1 3.36Å; K89-T105 PolarHBondContact O-N 3.35Å; K89-T105 PolarHBondContact O-OG1 2.87Å
90	L	92.1	Very high	91.6	Very high	19 Å²	19	23.8 Å²	23.8	10%	0.099	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	146.2	179.2	-61	-177.7	0	0	0	111.8	L84 R85 I102 C103 T104 L112 F127 V148	L84-L90 WeakPolarHBondContact CA-O 3.41Å; R85-L90 HydrophobicContact CB-CB 3.99Å; R85-L90 PolarHBondContact N-O 3.39Å; L90-I102 HydrophobicContact CD1-CG2 4.45Å; L90-C103 CarbonylContact C-O 3.52Å; L90-C103 WeakPolarHBondContact CA-O 3.36Å; L90-T104 HydrophobicContact CD2-CG2 3.99Å; L90-L112 HydrophobicContact CD2-CD1 3.32Å; L90-F127 HydrophobicContact CB-CE2 4.3Å; L90-F127 HydrophobicContact CB-CZ 3.75Å; L90-V148 HydrophobicContact CD1-CG1 3.82Å
91	V	93.1	Very high	91.7	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	128.2	174	-177.1	0	0	0	0	107.9	L60 L72 C82 N83 L84 V93 I102 C103 T105	L60-V91 HydrophobicContact CD1-CG2 4.2Å; L60-V91 HydrophobicContact CD2-CG2 4.09Å; L72-V91 HydrophobicContact CD1-CB 4.3Å; L72-V91 HydrophobicContact CD1-CG1 4.34Å; L72-V91 HydrophobicContact CD1-CG2 4.18Å; C82-V91 HydrophobicContact CB-CG1 4.41Å; N83-V91 CarbonylContact O-C 3.58Å; N83-V91 WeakPolarHBondContact O-CA 3.38Å; L84-V91 HydrophobicContact CD2-CB 4.41Å; L84-V91 HydrophobicContact CD2-CG2 3.37Å; L84-V91 HydrophobicContact CG-CG2 4.37Å; V91-V93 HydrophobicContact CG1-CG2 3.68Å; V91-I102 WeakPolarHBondContact O-CA 3.49Å; V91-C103 PolarHBondContact N-O 3.26Å; V91-C103 PolarHBondContact O-N 2.82Å; V91-T105 HydrophobicContact CG2-CG2 3.52Å
92	I	93.9	Very high	91.7	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	135.8	162.1	-75.3	157.5	0	0	0	108.4	C82 N83 L100 R101 I102 A125 F127 A134	C82-I92 CarbonylContact C-O 3.56Å; C82-I92 WeakPolarHBondContact CA-O 3.2Å; N83-I92 PolarHBondContact N-O 2.75Å; N83-I92 PolarHBondContact O-N 2.94Å; I92-L100 HydrophobicContact CG2-CD1 3.59Å; I92-L100 HydrophobicContact CG2-CD2 4.45Å; I92-L100 HydrophobicContact CG2-CG 4.05Å; I92-R101 CarbonylContact C-O 3.56Å; I92-R101 WeakPolarHBondContact CA-O 3.38Å; I92-I102 HydrophobicContact CG1-CG1 3.98Å; I92-A125 HydrophobicContact CG2-CB 3.6Å; I92-F127 HydrophobicContact CB-CD2 4.5Å; I92-F127 HydrophobicContact CB-CE2 3.97Å; I92-F127 HydrophobicContact CB-CZ 4.28Å; I92-F127 HydrophobicContact CD1-CB 4.45Å; I92-F127 HydrophobicContact CD1-CD1 3.4Å; I92-F127 HydrophobicContact CD1-CD2 3.44Å; I92-F127 VanDerWaalsContact CD1-CD2 3.44Å; I92-F127 HydrophobicContact CD1-CE1 3.32Å; I92-F127 HydrophobicContact CD1-CE2 3.36Å; I92-F127 HydrophobicContact CD1-CG 3.48Å; I92-F127 VanDerWaalsContact CD1-CG 3.48Å; I92-F127 HydrophobicContact CD1-CZ 3.32Å; I92-F127 HydrophobicContact CG1-CD1 4.31Å; I92-F127 HydrophobicContact CG1-CD2 4.02Å; I92-F127 HydrophobicContact CG1-CE1 3.74Å; I92-F127 HydrophobicContact CG1-CE2 3.41Å; I92-F127 VanDerWaalsContact CG1-CE2 3.41Å; I92-F127 HydrophobicContact CG1-CG 4.44Å; I92-F127 HydrophobicContact CG1-CZ 3.27Å; I92-A134 HydrophobicContact CD1-CB 3.4Å; I92-A134 VanDerWaalsContact CD1-CB 3.4Å
93	V	93.7	Very high	91.7	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	124.2	177.2	-173.3	0	0	0	0	108.6	V58 F75 V79 V91 R101	V58-V93 HydrophobicContact CG2-CG1 3.96Å; V58-V93 HydrophobicContact CG2-CG2 3.98Å; F75-V93 HydrophobicContact CD1-CG1 4.1Å; F75-V93 HydrophobicContact CE1-CB 3.81Å; F75-V93 HydrophobicContact CE1-CG1 3.64Å; F75-V93 HydrophobicContact CE1-CG2 4Å; F75-V93 HydrophobicContact CZ-CB 4.2Å; F75-V93 HydrophobicContact CZ-CG1 3.98Å; F75-V93 HydrophobicContact CZ-CG2 3.9Å; V79-V93 HydrophobicContact CB-CG1 4.1Å; V79-V93 HydrophobicContact CG1-CG1 3.36Å; V79-V93 HydrophobicContact CG2-CG1 3.66Å; V91-V93 HydrophobicContact CG1-CG2 3.68Å; V93-R101 PolarHBondContact N-O 3.09Å; V93-R101 PolarHBondContact O-N 3.43Å
94	G	93.4	Very high	91.5	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	125.2	172.5	0	0	0	0	0	110.5	V80 C81	V80-G94 PolarHBondContact N-O 3.46Å; C81-G94 PolarHBondContact N-O 2.85Å; C81-G94 PolarHBondContact O-N 3.41Å
95	E	93.7	Very high	91.1	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	156.9	176.3	-63.7	-172.5	-168.4	0	0	112.5	F75 S76 A77 R78 G97 G98 T99 R101 I122	F75-E95 WeakPolarHBondContact CA-OE1 3.4Å; F75-E95 WeakPolarHBondContact CB-OE1 3.39Å; F75-E95 HydrophobicContact CD1-CG 4.37Å; F75-E95 WeakPolarHBondContact CD1-OE1 3.46Å; S76-E95 PolarHBondContact N-OE1 2.89Å; S76-E95 PolarHBondContact N-OE2 3.4Å; S76-E95 PolarHBondContact OG-OE1 2.9Å; S76-E95 PolarHBondContact OG-OE2 2.83Å; A77-E95 HydrophobicContact CB-CB 4.29Å; A77-E95 PolarHBondContact N-OE2 3.41Å; R78-E95 CarbonylContact O-C 3.59Å; R78-E95 WeakPolarHBondContact O-CA 3.37Å; E95-G97 PolarHBondContact O-N 2.79Å; E95-G98 PolarHBondContact O-N 3.36Å; E95-T99 WeakPolarHBondContact CB-O 3.22Å; E95-T99 WeakPolarHBondContact CG-OG1 3.4Å; E95-T99 PolarHBondContact N-O 2.91Å; E95-T99 PolarHBondContact OE1-OG1 3.46Å; E95-T99 PolarHBondContact OE2-OG1 2.91Å; E95-R101 IonicContact OE1-CZ 3.05Å; E95-R101 IonicContact OE1-NE 2.8Å; E95-R101 PolarHBondContact OE1-NE 2.8Å; E95-R101 IonicContact OE1-NH1 3.98Å; E95-R101 IonicContact OE1-NH2 3.07Å; E95-R101 PolarHBondContact OE1-NH2 3.21Å; E95-R101 VanDerWaalsContact OE1-NH2 3.07Å; E95-I122 PolarHBondContact O-N 2.89Å
96	E	91.4	Very high	90.4	Very high	94 Å²	94	23.4 Å²	23.4	44%	0.439	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-27.4	173.2	-171	167.6	-154.4	0	0	112.6	A77 R78 V80 G98 G120 S121	A77-E96 HydrophobicContact CB-CB 4.36Å; R78-E96 HydrophobicContact CB-CB 4.47Å; R78-E96 WeakPolarHBondContact CB-OE2 3.25Å; R78-E96 WeakPolarHBondContact CD-OE2 3.37Å; R78-E96 PolarHBondContact O-N 2.69Å; V80-E96 HydrophobicContact CG2-CB 3.79Å; V80-E96 HydrophobicContact CG2-CG 4.46Å; E96-G98 PolarHBondContact O-N 2.87Å; E96-G120 CarbonylContact O-C 3.55Å; E96-S121 WeakPolarHBondContact O-CA 3.5Å; E96-S121 PolarHBondContact O-N 2.79Å
97	G	88.6	Confident	89.4	Confident	44 Å²	44	30 Å²	30	45%	0.454	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	10	175.2	0	0	0	0	0	115	E95 T99	E95-G97 PolarHBondContact O-N 2.79Å; G97-T99 VanDerWaalsContact C-N 3.28Å; G97-T99 PolarHBondContact O-N 3.36Å
98	G	90.4	Very high	88.1	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.185	C	C	.	.	S	Bend	trans	77.8	9.4	179	0	0	0	0	0	115.4	E95 E96 A117 H118 G120	E95-G98 PolarHBondContact O-N 3.36Å; E96-G98 PolarHBondContact O-N 2.87Å; G98-A117 PolarHBondContact O-N 2.93Å; G98-H118 WeakPolarHBondContact CA-O 3.35Å; G98-H118 PolarHBondContact O-N 2.89Å; G98-G120 WeakPolarHBondContact CA-O 3.12Å; G98-G120 PolarHBondContact N-O 3.02Å; G98-G120 VanDerWaalsContact N-O 3.13Å
99	T	93.8	Very high	86.9	Confident	18 Å²	18	42.7 Å²	42.7	11%	0.11	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	130.2	175.6	75.2	0	0	0	0	110.7	E95 G97 M115 I122	E95-T99 WeakPolarHBondContact CB-O 3.22Å; E95-T99 WeakPolarHBondContact CG-OG1 3.4Å; E95-T99 PolarHBondContact N-O 2.91Å; E95-T99 PolarHBondContact OE1-OG1 3.46Å; E95-T99 PolarHBondContact OE2-OG1 2.91Å; G97-T99 VanDerWaalsContact C-N 3.28Å; G97-T99 PolarHBondContact O-N 3.36Å; T99-M115 CarbonylContact C-O 3.51Å; T99-M115 WeakPolarHBondContact CA-O 3.5Å; T99-I122 VanDerWaalsContact O-CD1 3.3Å; T99-I122 WeakPolarHBondContact O-CD1 3.45Å
100	L	93.9	Very high	86	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	130.2	172.4	-165.5	83.1	0	0	0	107.8	I92 M115 A117 I122 A125 W146	I92-L100 HydrophobicContact CG2-CD1 3.59Å; I92-L100 HydrophobicContact CG2-CD2 4.45Å; I92-L100 HydrophobicContact CG2-CG 4.05Å; L100-M115 HydrophobicContact CB-CB 4.42Å; L100-M115 PolarHBondContact N-O 3.13Å; L100-M115 PolarHBondContact O-N 2.96Å; L100-A117 HydrophobicContact CB-CB 3.78Å; L100-I122 HydrophobicContact CB-CD1 4.09Å; L100-I122 HydrophobicContact CD1-CD1 3.98Å; L100-A125 HydrophobicContact CD1-CB 3.65Å; L100-W146 HydrophobicContact CD2-CG 4.26Å
101	R	92.8	Very high	85.2	Confident	13 Å²	13	42.3 Å²	42.3	5%	0.049	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	134.1	175.4	-60.8	-163	-168.5	-176.3	3.6	110.8	G74 F75 S76 I92 V93 E95 H111 R113 K114	G74-R101 PolarHBondContact O-NH1 2.86Å; F75-R101 HydrophobicContact CE1-CB 4.23Å; F75-R101 HydrophobicContact CE1-CG 4.49Å; S76-R101 PolarHBondContact OG-NH2 3.48Å; I92-R101 CarbonylContact C-O 3.56Å; I92-R101 WeakPolarHBondContact CA-O 3.38Å; V93-R101 PolarHBondContact N-O 3.09Å; V93-R101 PolarHBondContact O-N 3.43Å; E95-R101 IonicContact OE1-CZ 3.05Å; E95-R101 IonicContact OE1-NE 2.8Å; E95-R101 PolarHBondContact OE1-NE 2.8Å; E95-R101 IonicContact OE1-NH1 3.98Å; E95-R101 IonicContact OE1-NH2 3.07Å; E95-R101 PolarHBondContact OE1-NH2 3.21Å; E95-R101 VanDerWaalsContact OE1-NH2 3.07Å; R101-H111 PolarHBondContact NH1-CE1 3.29Å; R101-H111 PolarHBondContact NH1-NE2 3.13Å; R101-R113 WeakPolarHBondContact CA-O 3.27Å; R101-K114 HydrophobicContact CG-CG 4.39Å
102	I	92.9	Very high	84.8	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	123.2	169.7	-59.6	167.2	0	0	0	106.9	L90 V91 I92 L112 R113 M115 V148	L90-I102 HydrophobicContact CD1-CG2 4.45Å; V91-I102 WeakPolarHBondContact O-CA 3.49Å; I92-I102 HydrophobicContact CG1-CG1 3.98Å; I102-L112 HydrophobicContact CG2-CD1 4.16Å; I102-L112 WeakPolarHBondContact O-CB 3.47Å; I102-L112 PolarHBondContact O-N 2.81Å; I102-R113 HydrophobicContact CB-CB 4.32Å; I102-R113 PolarHBondContact N-O 2.84Å; I102-R113 PolarHBondContact O-N 2.85Å; I102-M115 HydrophobicContact CD1-SD 4.09Å; I102-V148 HydrophobicContact CD1-CB 4.5Å; I102-V148 HydrophobicContact CD1-CG1 4.26Å
103	C	91.5	Very high	84.5	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	146.4	-175.9	-57.5	0	0	0	0	111	L72 L90 V91 F110 H111	L72-C103 HydrophobicContact CD1-CB 4.17Å; L90-C103 CarbonylContact C-O 3.52Å; L90-C103 WeakPolarHBondContact CA-O 3.36Å; V91-C103 PolarHBondContact N-O 3.26Å; V91-C103 PolarHBondContact O-N 2.82Å; C103-F110 WeakPolarHBondContact CA-O 3.26Å; C103-F110 HydrophobicContact CB-CE2 4.36Å; C103-F110 WeakPolarHBondContact CB-O 3.25Å; C103-H111 PolarHBondContact SG-ND1 2.74Å; C103-H111 VanDerWaalsContact SG-ND1 3.41Å
104	T	89.7	Confident	84.4	Confident	18 Å²	18	57.8 Å²	57.8	11%	0.11	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	146.4	169.7	45.3	0	0	0	0	110.9	R70 K89 L90 D106 K109 F110 L112	R70-T104 PolarHBondContact NH1-O 2.8Å; K89-T104 CarbonylContact O-C 3.56Å; K89-T104 WeakPolarHBondContact O-CA 3.37Å; L90-T104 HydrophobicContact CD2-CG2 3.99Å; T104-D106 VanDerWaalsContact C-N 3.35Å; T104-K109 HydrophobicContact CG2-CB 4.39Å; T104-K109 PolarHBondContact OG1-O 2.83Å; T104-F110 PolarHBondContact N-O 3.18Å; T104-L112 HydrophobicContact CG2-CD1 3.35Å; T104-L112 HydrophobicContact CG2-CD2 4.27Å; T104-L112 HydrophobicContact CG2-CG 3.82Å
105	T	84.5	Confident	84.2	Confident	3 Å²	3	58.3 Å²	58.3	2%	0.018	28%	0.284	C	S	.	.	S	Bend	trans	-79.1	-20.5	170.2	63.9	0	0	0	0	112.3	L60 R70 L84 G88 K89 V91	L60-T105 HydrophobicContact CD1-CG2 3.8Å; R70-T105 VanDerWaalsContact CD-O 3.3Å; R70-T105 WeakPolarHBondContact CD-O 3.46Å; R70-T105 PolarHBondContact NH1-O 3.37Å; L84-T105 HydrophobicContact CD2-CG2 3.79Å; G88-T105 VanDerWaalsContact O-CG2 3.29Å; G88-T105 WeakPolarHBondContact O-CG2 3.31Å; G88-T105 PolarHBondContact O-OG1 3.4Å; K89-T105 WeakPolarHBondContact CA-OG1 3.36Å; K89-T105 PolarHBondContact O-N 3.35Å; K89-T105 PolarHBondContact O-OG1 2.87Å; V91-T105 HydrophobicContact CG2-CG2 3.52Å
106	D	79.2	Confident	84.1	Confident	89 Å²	89	67 Å²	67	48%	0.476	32%	0.321	S	S	.	.	S	Bend	trans	-80.3	133.5	-177.8	-62	-37.7	0	0	0	114.6	R70 T104 N108 K109	R70-D106 PolarHBondContact NH1-O 3.11Å; T104-D106 VanDerWaalsContact C-N 3.35Å; D106-N108 VanDerWaalsContact C-N 3.26Å; D106-N108 PolarHBondContact O-N 2.93Å; D106-K109 PolarHBondContact O-N 2.95Å
107	K	68.4	Low	83.9	Confident	171 Å²	171	62.6 Å²	62.6	74%	0.743	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-35.1	-165	-68.3	-177.3	179.5	179.9	0	115.3	R70 K109	R70-K107 PolarHBondContact NH2-O 3.21Å; K107-K109 PolarHBondContact O-N 3.47Å
108	N	58.1	Low	83.9	Confident	163 Å²	163	60.7 Å²	60.7	87%	0.872	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-24.3	-168.6	-73.7	6.4	0	0	0	114.7	D106	D106-N108 VanDerWaalsContact C-N 3.26Å; D106-N108 PolarHBondContact O-N 2.93Å
109	K	62.1	Low	83.7	Confident	150 Å²	150	68.9 Å²	68.9	65%	0.652	32%	0.319	S	S	*	.			trans	-126.4	153	175.9	-68.2	-178.6	179.5	178.9	0	108.5	R70 T104 D106 K107	R70-K109 PolarHBondContact NH1-O 2.78Å; R70-K109 PolarHBondContact NH2-O 3.06Å; T104-K109 HydrophobicContact CG2-CB 4.39Å; T104-K109 PolarHBondContact OG1-O 2.83Å; D106-K109 PolarHBondContact O-N 2.95Å; K107-K109 PolarHBondContact O-N 3.47Å
110	F	69.2	Low	83.4	Confident	47 Å²	47	69.1 Å²	69.1	21%	0.206	33%	0.325	C	S	.	.			trans	-128.3	-68.8	-178.2	174.5	-122.7	0	0	0	111.7	L72 S73 F75 C103 T104	L72-F110 HydrophobicContact CB-CD2 4.44Å; L72-F110 HydrophobicContact CB-CE2 3.41Å; L72-F110 VanDerWaalsContact CB-CE2 3.41Å; L72-F110 HydrophobicContact CB-CZ 3.96Å; L72-F110 HydrophobicContact CD1-CE2 4.23Å; L72-F110 HydrophobicContact CD2-CD2 3.59Å; L72-F110 HydrophobicContact CD2-CE2 3.41Å; L72-F110 VanDerWaalsContact CD2-CE2 3.41Å; L72-F110 HydrophobicContact CG-CD2 4.46Å; L72-F110 HydrophobicContact CG-CE2 3.8Å; S73-F110 WeakPolarHBondContact O-CE1 3.5Å; S73-F110 WeakPolarHBondContact O-CZ 3.48Å; F75-F110 HydrophobicContact CE2-CZ 4.03Å; F75-F110 HydrophobicContact CZ-CE2 4.41Å; F75-F110 AromaticContact CZ-CZ 3.92Å; F75-F110 HydrophobicContact CZ-CZ 3.92Å; C103-F110 WeakPolarHBondContact CA-O 3.26Å; C103-F110 HydrophobicContact CB-CE2 4.36Å; C103-F110 WeakPolarHBondContact CB-O 3.25Å; T104-F110 PolarHBondContact N-O 3.18Å
111	H	75	Confident	83.2	Confident	77 Å²	77	70.8 Å²	70.8	36%	0.356	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	111.4	175.4	-70.8	-43.5	0	0	0	110.6	F75 R101 C103	F75-H111 AromaticContact CE1-CE1 3.95Å; R101-H111 PolarHBondContact NH1-CE1 3.29Å; R101-H111 PolarHBondContact NH1-NE2 3.13Å; C103-H111 PolarHBondContact SG-ND1 2.74Å; C103-H111 VanDerWaalsContact SG-ND1 3.41Å
112	L	84.1	Confident	83.1	Confident	75 Å²	75	70.1 Å²	70.1	39%	0.393	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	-50.9	170.2	-78.7	154.7	0	0	0	110.2	L90 I102 T104	L90-L112 HydrophobicContact CD2-CD1 3.32Å; I102-L112 HydrophobicContact CG2-CD1 4.16Å; I102-L112 WeakPolarHBondContact O-CB 3.47Å; I102-L112 PolarHBondContact O-N 2.81Å; T104-L112 HydrophobicContact CG2-CD1 3.35Å; T104-L112 HydrophobicContact CG2-CD2 4.27Å; T104-L112 HydrophobicContact CG2-CG 3.82Å
113	R	89	Confident	83	Confident	114 Å²	114	71.3 Å²	71.3	43%	0.43	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	142.7	-174.2	-59.1	-66	-175	-156.1	6.3	110.9	R101 I102 M115 T149	R101-R113 WeakPolarHBondContact CA-O 3.27Å; I102-R113 HydrophobicContact CB-CB 4.32Å; I102-R113 PolarHBondContact N-O 2.84Å; I102-R113 PolarHBondContact O-N 2.85Å; R113-M115 HydrophobicContact CB-CG 4.43Å; R113-M115 HydrophobicContact CB-SD 4.08Å; R113-T149 PolarHBondContact NE-O 2.88Å; R113-T149 PolarHBondContact NH2-O 3.12Å
114	K	90.4	Very high	82.9	Confident	137 Å²	137	72.9 Å²	72.9	60%	0.596	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.2	119.4	170.5	179.3	-177	178.4	-177.1	0	107.5	R101	R101-K114 HydrophobicContact CG-CG 4.39Å
115	M	90.5	Very high	83.1	Confident	10 Å²	10	72.1 Å²	72.1	5%	0.049	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	128.7	-171	-62.8	153.8	66.3	0	0	108.4	T99 L100 I102 R113 A117 W146 G151	T99-M115 CarbonylContact C-O 3.51Å; T99-M115 WeakPolarHBondContact CA-O 3.5Å; L100-M115 HydrophobicContact CB-CB 4.42Å; L100-M115 PolarHBondContact N-O 3.13Å; L100-M115 PolarHBondContact O-N 2.96Å; I102-M115 HydrophobicContact CD1-SD 4.09Å; R113-M115 HydrophobicContact CB-CG 4.43Å; R113-M115 HydrophobicContact CB-SD 4.08Å; M115-A117 PolarHBondContact O-N 2.97Å; M115-A117 VanDerWaalsContact O-N 3.12Å; M115-W146 HydrophobicContact CB-CZ3 4.45Å; M115-W146 HydrophobicContact CE-CB 3.7Å; M115-W146 HydrophobicContact CE-CD2 3.24Å; M115-W146 HydrophobicContact CE-CE3 2.9Å; M115-W146 HydrophobicContact CE-CG 3.59Å; M115-W146 HydrophobicContact CE-CH2 4.46Å; M115-W146 HydrophobicContact CE-CZ3 3.57Å; M115-G151 VanDerWaalsContact CE-C 3.43Å; M115-G151 WeakPolarHBondContact CE-O 3.47Å; M115-G151 WeakPolarHBondContact CG-O 3.41Å; M115-G151 VanDerWaalsContact SD-CA 3.55Å
116	K	90.2	Very high	83.4	Confident	182 Å²	182	72.7 Å²	72.7	79%	0.791	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.4	92.1	174.5	-167.4	175.8	-176.7	-179.6	0	107.6
117	A	86.9	Confident	84.1	Confident	3 Å²	3	68.9 Å²	68.9	3%	0.025	33%	0.331	C	S	.	.			trans	-85.5	-50.6	-168	0	0	0	0	0	112.1	G98 L100 M115 I122 R144 W146	G98-A117 PolarHBondContact O-N 2.93Å; L100-A117 HydrophobicContact CB-CB 3.78Å; M115-A117 PolarHBondContact O-N 2.97Å; M115-A117 VanDerWaalsContact O-N 3.12Å; A117-I122 HydrophobicContact CB-CD1 4.36Å; A117-R144 WeakPolarHBondContact O-CD 3.18Å; A117-R144 PolarHBondContact O-NE 3.14Å; A117-R144 PolarHBondContact O-NH1 2.89Å; A117-W146 HydrophobicContact CB-CH2 4.07Å; A117-W146 HydrophobicContact CB-CZ2 3.33Å
118	H	90	Very high	85.3	Confident	4 Å²	4	60.8 Å²	60.8	2%	0.019	30%	0.296	C	S	.	.			trans	-129.1	160.6	-173.1	-64.5	-93.8	0	0	0	112.3	G98 G120 S136 G138 D140 N142 R144	G98-H118 WeakPolarHBondContact CA-O 3.35Å; G98-H118 PolarHBondContact O-N 2.89Å; H118-G120 VanDerWaalsContact C-N 3.29Å; H118-G120 PolarHBondContact O-N 3.27Å; H118-S136 PolarHBondContact CE1-O 3.07Å; H118-S136 PolarHBondContact NE2-O 3.31Å; H118-S136 PolarHBondContact NE2-OG 2.82Å; H118-G138 PolarHBondContact CE1-N 3.44Å; H118-D140 IonicContact CE1-OD1 2.78Å; H118-D140 IonicContact CG-OD1 3.56Å; H118-D140 IonicContact ND1-OD1 2.74Å; H118-D140 PolarHBondContact ND1-OD1 2.91Å; H118-D140 IonicContact ND1-OD2 3.43Å; H118-D140 PolarHBondContact ND1-OD2 3.32Å; H118-N142 PolarHBondContact CE1-O 3.38Å; H118-R144 PolarHBondContact CE1-NH1 2.67Å; H118-R144 PolarHBondContact ND1-NH1 3.42Å
119	Q	86.1	Confident	86.8	Confident	172 Å²	172	56.1 Å²	56.1	80%	0.804	27%	0.266	S	S	*	.	S	Bend	trans	-90.9	61.9	171.3	-66.7	-178.1	-10.1	0	0	110
120	G	86	Confident	88	Confident	23 Å²	23	51.4 Å²	51.4	24%	0.237	25%	0.248	C	C	.	.	S	Bend	trans	145.7	-172.3	-177.6	0	0	0	0	0	112.4	E96 G98 H118 I122 S139	E96-G120 CarbonylContact O-C 3.55Å; G98-G120 WeakPolarHBondContact CA-O 3.12Å; G98-G120 PolarHBondContact N-O 3.02Å; G98-G120 VanDerWaalsContact N-O 3.13Å; H118-G120 VanDerWaalsContact C-N 3.29Å; H118-G120 PolarHBondContact O-N 3.27Å; G120-I122 PolarHBondContact O-N 3.22Å; G120-S139 WeakPolarHBondContact CA-OG 3.1Å
121	S	89.7	Confident	88.7	Confident	34 Å²	34	49.5 Å²	49.5	24%	0.238	24%	0.242	C	C	.	.			trans	-62.9	131.9	-174.1	-178	0	0	0	0	111.9	E96 S123 G138 S139	E96-S121 WeakPolarHBondContact O-CA 3.5Å; E96-S121 PolarHBondContact O-N 2.79Å; S121-S123 PolarHBondContact O-N 2.89Å; S121-G138 CarbonylContact O-C 3.56Å; S121-S139 PolarHBondContact N-OG 3.26Å; S121-S139 VanDerWaalsContact N-OG 3.13Å; S121-S139 PolarHBondContact O-N 2.85Å
122	I	91.6	Very high	89.5	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	118.7	168.4	-63.6	166.3	0	0	0	107.4	V80 E95 T99 L100 A117 G120 T124 A125 L137	V80-I122 WeakPolarHBondContact CB-O 3.39Å; V80-I122 WeakPolarHBondContact CG1-O 3.5Å; E95-I122 PolarHBondContact O-N 2.89Å; T99-I122 VanDerWaalsContact O-CD1 3.3Å; T99-I122 WeakPolarHBondContact O-CD1 3.45Å; L100-I122 HydrophobicContact CB-CD1 4.09Å; L100-I122 HydrophobicContact CD1-CD1 3.98Å; A117-I122 HydrophobicContact CB-CD1 4.36Å; G120-I122 PolarHBondContact O-N 3.22Å; I122-T124 WeakPolarHBondContact CG2-O 3.44Å; I122-A125 HydrophobicContact CG2-CB 4.15Å; I122-L137 CarbonylContact C-O 3.59Å; I122-L137 WeakPolarHBondContact CA-O 3.29Å; I122-L137 WeakPolarHBondContact CG2-O 3.36Å
123	S	90.4	Very high	89.9	Confident	26 Å²	26	51 Å²	51	18%	0.182	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	-47.5	179.3	58.1	0	0	0	0	110.7	S121 L137 A166	S121-S123 PolarHBondContact O-N 2.89Å; S123-L137 PolarHBondContact N-O 3.09Å; S123-L137 WeakPolarHBondContact OG-CD2 3.29Å; S123-L137 WeakPolarHBondContact OG-CG 3.3Å; S123-L137 PolarHBondContact OG-O 3.26Å; S123-A166 WeakPolarHBondContact CB-O 3.45Å; S123-A166 PolarHBondContact OG-O 3.15Å
124	T	90.5	Very high	90.1	Very high	33 Å²	33	45.6 Å²	45.6	20%	0.202	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	149.6	178.4	59.2	0	0	0	0	111.1	I122 L137 R167 M169	I122-T124 WeakPolarHBondContact CG2-O 3.44Å; T124-L137 PolarHBondContact O-N 2.8Å; T124-L137 WeakPolarHBondContact OG1-CB 3.44Å; T124-R167 WeakPolarHBondContact CG2-O 3.42Å; T124-M169 WeakPolarHBondContact OG1-CB 3.47Å
125	A	92.2	Very high	90.2	Very high	1 Å²	1	39 Å²	39	1%	0.008	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	132.2	172.4	0	0	0	0	0	109.3	N83 I92 L100 I122 A135	N83-A125 WeakPolarHBondContact CB-O 3.33Å; N83-A125 PolarHBondContact ND2-O 2.98Å; I92-A125 HydrophobicContact CG2-CB 3.6Å; L100-A125 HydrophobicContact CD1-CB 3.65Å; I122-A125 HydrophobicContact CG2-CB 4.15Å; A125-A135 CarbonylContact C-O 3.21Å; A125-A135 VanDerWaalsContact CA-O 3.25Å; A125-A135 WeakPolarHBondContact CA-O 3.07Å
126	S	92.7	Very high	90.3	Very high	15 Å²	15	38.6 Å²	38.6	11%	0.105	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	153.2	-176.8	59.5	0	0	0	0	111.1	A134 A135 M169 T171	S126-A134 CarbonylContact O-C 3.53Å; S126-A134 WeakPolarHBondContact O-CA 3.26Å; S126-A135 PolarHBondContact N-O 3.04Å; S126-A135 PolarHBondContact O-N 2.94Å; S126-M169 WeakPolarHBondContact OG-CE 3.39Å; S126-T171 WeakPolarHBondContact OG-CG2 3.46Å
127	F	93.7	Very high	90.3	Very high	10 Å²	10	29.9 Å²	29.9	4%	0.044	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	150.5	164.6	-74.4	-78.8	0	0	0	109.4	R85 L90 I92 A134 V148 T171	R85-F127 HydrophobicContact CB-CD1 4.43Å; R85-F127 HydrophobicContact CB-CD2 3.74Å; R85-F127 HydrophobicContact CB-CE1 4.43Å; R85-F127 HydrophobicContact CB-CE2 3.74Å; R85-F127 HydrophobicContact CB-CG 4.09Å; R85-F127 HydrophobicContact CB-CZ 4.08Å; R85-F127 HydrophobicContact CG-CD1 4.42Å; R85-F127 HydrophobicContact CG-CD2 4.44Å; R85-F127 HydrophobicContact CG-CG 4.29Å; L90-F127 HydrophobicContact CB-CE2 4.3Å; L90-F127 HydrophobicContact CB-CZ 3.75Å; I92-F127 HydrophobicContact CB-CD2 4.5Å; I92-F127 HydrophobicContact CB-CE2 3.97Å; I92-F127 HydrophobicContact CB-CZ 4.28Å; I92-F127 HydrophobicContact CD1-CB 4.45Å; I92-F127 HydrophobicContact CD1-CD1 3.4Å; I92-F127 HydrophobicContact CD1-CD2 3.44Å; I92-F127 VanDerWaalsContact CD1-CD2 3.44Å; I92-F127 HydrophobicContact CD1-CE1 3.32Å; I92-F127 HydrophobicContact CD1-CE2 3.36Å; I92-F127 HydrophobicContact CD1-CG 3.48Å; I92-F127 VanDerWaalsContact CD1-CG 3.48Å; I92-F127 HydrophobicContact CD1-CZ 3.32Å; I92-F127 HydrophobicContact CG1-CD1 4.31Å; I92-F127 HydrophobicContact CG1-CD2 4.02Å; I92-F127 HydrophobicContact CG1-CE1 3.74Å; I92-F127 HydrophobicContact CG1-CE2 3.41Å; I92-F127 VanDerWaalsContact CG1-CE2 3.41Å; I92-F127 HydrophobicContact CG1-CG 4.44Å; I92-F127 HydrophobicContact CG1-CZ 3.27Å; F127-A134 HydrophobicContact CD1-CB 4.32Å; F127-V148 HydrophobicContact CD1-CG2 3.76Å; F127-V148 HydrophobicContact CE1-CB 4.42Å; F127-V148 HydrophobicContact CE1-CG1 3.87Å; F127-V148 HydrophobicContact CE1-CG2 3.58Å; F127-T171 PolarHBondContact O-OG1 3.1Å
128	F	92.5	Very high	90.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.156	C	C	.	.			trans	-74	161.6	160.5	-73.9	-94.7	0	0	0	110.1	D130 G131 R133 A135 I145 T171 N176 M193	F128-D130 VanDerWaalsContact C-N 3.29Å; F128-D130 WeakPolarHBondContact CB-OD1 3.43Å; F128-D130 PolarHBondContact O-N 3.42Å; F128-G131 PolarHBondContact O-N 2.87Å; F128-R133 HydrophobicContact CB-CB 4.12Å; F128-R133 HydrophobicContact CD2-CB 3.41Å; F128-R133 VanDerWaalsContact CD2-CB 3.41Å; F128-R133 HydrophobicContact CE2-CB 4.03Å; F128-R133 HydrophobicContact CG-CB 3.96Å; F128-R133 PolarHBondContact N-O 2.82Å; F128-A135 HydrophobicContact CE2-CB 3.83Å; F128-A135 HydrophobicContact CZ-CB 4.26Å; F128-I145 HydrophobicContact CE2-CG1 4.32Å; F128-I145 HydrophobicContact CE2-CG2 4.13Å; F128-I145 HydrophobicContact CZ-CG1 4.37Å; F128-T171 HydrophobicContact CD1-CG2 3.93Å; F128-T171 HydrophobicContact CD2-CG2 4.37Å; F128-T171 HydrophobicContact CE1-CG2 3.84Å; F128-T171 HydrophobicContact CE2-CG2 4.32Å; F128-T171 HydrophobicContact CG-CG2 4.22Å; F128-T171 HydrophobicContact CZ-CG2 4.06Å; F128-N176 WeakPolarHBondContact CD1-O 3.45Å; F128-N176 VanDerWaalsContact CE1-O 3.29Å; F128-N176 WeakPolarHBondContact CE1-O 3.41Å; F128-M193 HydrophobicContact CE1-CG 4.34Å; F128-M193 HydrophobicContact CZ-CG 4.24Å; F128-M193 HydrophobicContact CZ-SD 4.34Å
129	Y	89.4	Confident	90.2	Very high	66 Å²	66	31.3 Å²	31.3	26%	0.259	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-24.7	-176.4	-83.3	-104.8	0	0	0	113.5	N86 G131 G172 R173	N86-Y129 WeakPolarHBondContact ND2-CA 3.36Å; N86-Y129 WeakPolarHBondContact ND2-CD1 3.13Å; N86-Y129 PolarHBondContact ND2-O 3.19Å; Y129-G131 PolarHBondContact O-N 3.4Å; Y129-G172 WeakPolarHBondContact CD2-O 3.42Å; Y129-R173 HydrophobicContact CD1-CB 4.24Å; Y129-R173 VanDerWaalsContact CD2-CA 3.48Å; Y129-R173 HydrophobicContact CD2-CB 4.32Å; Y129-R173 HydrophobicContact CD2-CG 4.46Å; Y129-R173 HydrophobicContact CE1-CB 3.95Å; Y129-R173 HydrophobicContact CE1-CG 4Å; Y129-R173 HydrophobicContact CE2-CB 3.99Å; Y129-R173 HydrophobicContact CE2-CG 3.66Å; Y129-R173 HydrophobicContact CG-CB 4.42Å; Y129-R173 WeakPolarHBondContact OH-CD 3.45Å; Y129-R173 WeakPolarHBondContact OH-CG 3.46Å; Y129-R173 PolarHBondContact OH-NE 2.96Å; Y129-R173 VanDerWaalsContact OH-NE 3.15Å
130	D	86.8	Confident	90.2	Very high	51 Å²	51	24.7 Å²	24.7	27%	0.273	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-22.7	168	68.3	6.3	0	0	0	113.5	F128 L132 R133 N176	F128-D130 VanDerWaalsContact C-N 3.29Å; F128-D130 WeakPolarHBondContact CB-OD1 3.43Å; F128-D130 PolarHBondContact O-N 3.42Å; D130-L132 PolarHBondContact O-N 2.79Å; D130-L132 PolarHBondContact OD1-N 2.73Å; D130-R133 PolarHBondContact OD1-N 2.99Å; D130-R133 VanDerWaalsContact OD1-N 3.14Å; D130-N176 PolarHBondContact N-OD1 3.27Å
131	G	85.8	Confident	90	Very high	6 Å²	6	23.8 Å²	23.8	6%	0.062	13%	0.127	C	C	.	.	S	Bend	trans	69.7	6.9	-177.1	0	0	0	0	0	115.3	R85 F128 Y129	R85-G131 WeakPolarHBondContact CD-O 3.34Å; R85-G131 PolarHBondContact NH1-O 2.85Å; F128-G131 PolarHBondContact O-N 2.87Å; Y129-G131 PolarHBondContact O-N 3.4Å
132	L	90.1	Very high	89.9	Confident	100 Å²	100	22.7 Å²	22.7	52%	0.524	12%	0.119	S	C	.	.	S	Bend	trans	-99.8	-29.4	179.3	-64.4	175.5	0	0	0	111.7	D130 V148	D130-L132 PolarHBondContact O-N 2.79Å; D130-L132 PolarHBondContact OD1-N 2.73Å; L132-V148 VanDerWaalsContact O-CB 3.26Å; L132-V148 WeakPolarHBondContact O-CB 3.24Å; L132-V148 VanDerWaalsContact O-CG2 3.25Å; L132-V148 WeakPolarHBondContact O-CG2 3.38Å; L132-V148 PolarHBondContact O-N 2.94Å
133	R	93	Very high	89.9	Confident	84 Å²	84	22.7 Å²	22.7	32%	0.317	12%	0.119	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	157	-179.7	-61.4	177.1	-174.7	172.4	1.7	111.7	F128 D130 I145 W146 L154 N177	F128-R133 HydrophobicContact CB-CB 4.12Å; F128-R133 HydrophobicContact CD2-CB 3.41Å; F128-R133 VanDerWaalsContact CD2-CB 3.41Å; F128-R133 HydrophobicContact CE2-CB 4.03Å; F128-R133 HydrophobicContact CG-CB 3.96Å; F128-R133 PolarHBondContact N-O 2.82Å; D130-R133 PolarHBondContact OD1-N 2.99Å; D130-R133 VanDerWaalsContact OD1-N 3.14Å; R133-I145 HydrophobicContact CB-CG2 4.43Å; R133-W146 CarbonylContact C-O 3.52Å; R133-W146 WeakPolarHBondContact CA-O 3.31Å; R133-L154 HydrophobicContact CG-CD1 4.02Å; R133-N177 PolarHBondContact NH1-OD1 3.17Å
134	A	92.8	Very high	90	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	143.2	172.7	0	0	0	0	0	110.9	I92 S126 F127 I145 W146 V148	I92-A134 HydrophobicContact CD1-CB 3.4Å; I92-A134 VanDerWaalsContact CD1-CB 3.4Å; S126-A134 CarbonylContact O-C 3.53Å; S126-A134 WeakPolarHBondContact O-CA 3.26Å; F127-A134 HydrophobicContact CD1-CB 4.32Å; A134-I145 CarbonylContact O-C 3.54Å; A134-I145 WeakPolarHBondContact O-CA 3.48Å; A134-W146 HydrophobicContact CB-CB 4.33Å; A134-W146 PolarHBondContact N-O 3.01Å; A134-W146 PolarHBondContact O-N 3.41Å; A134-V148 HydrophobicContact CB-CG2 3.92Å
135	A	92.6	Very high	90.1	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	143.9	172.8	0	0	0	0	0	110.2	A125 S126 F128 R144 M169 T171 L179	A125-A135 CarbonylContact C-O 3.21Å; A125-A135 VanDerWaalsContact CA-O 3.25Å; A125-A135 WeakPolarHBondContact CA-O 3.07Å; S126-A135 PolarHBondContact N-O 3.04Å; S126-A135 PolarHBondContact O-N 2.94Å; F128-A135 HydrophobicContact CE2-CB 3.83Å; F128-A135 HydrophobicContact CZ-CB 4.26Å; A135-R144 CarbonylContact C-O 3.59Å; A135-R144 WeakPolarHBondContact CA-O 3.39Å; A135-M169 HydrophobicContact CB-CE 3.89Å; A135-M169 HydrophobicContact CB-SD 3.73Å; A135-T171 HydrophobicContact CB-CG2 4.43Å; A135-L179 HydrophobicContact CB-CD1 4.28Å
136	S	92.8	Very high	90.2	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	137.2	171.2	64.2	0	0	0	0	111.2	H118 V143 R144 W146	H118-S136 PolarHBondContact CE1-O 3.07Å; H118-S136 PolarHBondContact NE2-O 3.31Å; H118-S136 PolarHBondContact NE2-OG 2.82Å; S136-V143 WeakPolarHBondContact O-CA 3.42Å; S136-R144 PolarHBondContact N-O 3.22Å; S136-R144 PolarHBondContact O-N 2.92Å; S136-W146 PolarHBondContact OG-NE1 2.86Å
137	L	91	Very high	90.1	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	128	177.4	-174.6	64.7	0	0	0	109.3	I122 S123 T124 V143 A166 M169 I181	I122-L137 CarbonylContact C-O 3.59Å; I122-L137 WeakPolarHBondContact CA-O 3.29Å; I122-L137 WeakPolarHBondContact CG2-O 3.36Å; S123-L137 PolarHBondContact N-O 3.09Å; S123-L137 WeakPolarHBondContact OG-CD2 3.29Å; S123-L137 WeakPolarHBondContact OG-CG 3.3Å; S123-L137 PolarHBondContact OG-O 3.26Å; T124-L137 PolarHBondContact O-N 2.8Å; T124-L137 WeakPolarHBondContact OG1-CB 3.44Å; L137-V143 HydrophobicContact CD1-CG2 3.45Å; L137-V143 VanDerWaalsContact CD1-CG2 3.45Å; L137-A166 HydrophobicContact CD1-CB 3.94Å; L137-A166 HydrophobicContact CD2-CB 3.72Å; L137-A166 VanDerWaalsContact CD2-O 3.26Å; L137-A166 WeakPolarHBondContact CD2-O 3.32Å; L137-A166 HydrophobicContact CG-CB 4.18Å; L137-M169 HydrophobicContact CB-SD 4.1Å; L137-M169 HydrophobicContact CD2-CB 4.17Å; L137-I181 HydrophobicContact CD1-CG2 4.37Å; L137-I181 HydrophobicContact CD2-CG2 4.5Å
138	G	89.1	Confident	90	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	167.3	-178.5	0	0	0	0	0	113.7	H118 S121 D140 A141 N142	H118-G138 PolarHBondContact CE1-N 3.44Å; S121-G138 CarbonylContact O-C 3.56Å; G138-D140 PolarHBondContact O-N 2.95Å; G138-A141 PolarHBondContact O-N 3.36Å; G138-N142 PolarHBondContact N-O 2.81Å
139	S	86.1	Confident	89.7	Confident	36 Å²	36	26.7 Å²	26.7	25%	0.252	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-11.2	167.7	62.9	0	0	0	0	113.7	G120 S121 A141	G120-S139 WeakPolarHBondContact CA-OG 3.1Å; S121-S139 PolarHBondContact N-OG 3.26Å; S121-S139 VanDerWaalsContact N-OG 3.13Å; S121-S139 PolarHBondContact O-N 2.85Å; S139-A141 PolarHBondContact O-N 2.65Å
140	D	84.8	Confident	89.6	Confident	33 Å²	33	29 Å²	29	18%	0.176	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	14.6	173.6	67.9	-21.7	0	0	0	113	H118 G138 N142 R144	H118-D140 IonicContact CE1-OD1 2.78Å; H118-D140 IonicContact CG-OD1 3.56Å; H118-D140 IonicContact ND1-OD1 2.74Å; H118-D140 PolarHBondContact ND1-OD1 2.91Å; H118-D140 IonicContact ND1-OD2 3.43Å; H118-D140 PolarHBondContact ND1-OD2 3.32Å; G138-D140 PolarHBondContact O-N 2.95Å; D140-N142 VanDerWaalsContact CG-ND2 3.31Å; D140-N142 VanDerWaalsContact O-CG 3.31Å; D140-N142 PolarHBondContact O-N 3.06Å; D140-N142 PolarHBondContact O-ND2 2.62Å; D140-N142 PolarHBondContact OD1-N 3.34Å; D140-N142 PolarHBondContact OD2-ND2 3.09Å; D140-R144 IonicContact OD1-NH1 3.97Å; D140-R144 IonicContact OD2-CZ 3.95Å; D140-R144 IonicContact OD2-NH1 3.56Å; D140-R144 PolarHBondContact OD2-NH1 3.23Å; D140-R144 IonicContact OD2-NH2 3.65Å
141	A	82.8	Confident	89.5	Confident	4 Å²	4	27.4 Å²	27.4	3%	0.033	15%	0.147	C	C	.	.	S	Bend	trans	55.7	18.4	-178.9	0	0	0	0	0	115	G138 S139 V159	G138-A141 PolarHBondContact O-N 3.36Å; S139-A141 PolarHBondContact O-N 2.65Å; A141-V159 PolarHBondContact O-N 3.34Å; A141-V159 VanDerWaalsContact O-N 3.13Å
142	N	88.2	Confident	89.6	Confident	12 Å²	12	29.1 Å²	29.1	6%	0.064	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	147.3	178.2	-61	-58.3	0	0	0	110.7	H118 G138 D140 R156 Y157	H118-N142 PolarHBondContact CE1-O 3.38Å; G138-N142 PolarHBondContact N-O 2.81Å; D140-N142 VanDerWaalsContact CG-ND2 3.31Å; D140-N142 VanDerWaalsContact O-CG 3.31Å; D140-N142 PolarHBondContact O-N 3.06Å; D140-N142 PolarHBondContact O-ND2 2.62Å; D140-N142 PolarHBondContact OD1-N 3.34Å; D140-N142 PolarHBondContact OD2-ND2 3.09Å; N142-R156 HydrophobicContact CB-CG 4.34Å; N142-R156 PolarHBondContact ND2-NE 2.87Å; N142-R156 PolarHBondContact ND2-NH2 2.94Å; N142-R156 VanDerWaalsContact OD1-CZ 3.3Å; N142-R156 PolarHBondContact OD1-NE 2.8Å; N142-R156 PolarHBondContact OD1-NH2 2.89Å; N142-Y157 WeakPolarHBondContact CA-O 3.08Å
143	V	90.1	Very high	89.6	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	135.6	163.5	-172.8	0	0	0	0	107.9	S136 L137 I145 R156 Y157 V159 M169 L179 I181	S136-V143 WeakPolarHBondContact O-CA 3.42Å; L137-V143 HydrophobicContact CD1-CG2 3.45Å; L137-V143 VanDerWaalsContact CD1-CG2 3.45Å; V143-I145 HydrophobicContact CG1-CD1 4.41Å; V143-R156 CarbonylContact O-C 3.6Å; V143-R156 VanDerWaalsContact O-CA 3.29Å; V143-R156 WeakPolarHBondContact O-CA 3.4Å; V143-Y157 PolarHBondContact N-O 3.42Å; V143-Y157 PolarHBondContact O-N 3.24Å; V143-V159 HydrophobicContact CG2-CG2 3.47Å; V143-V159 VanDerWaalsContact CG2-CG2 3.47Å; V143-M169 HydrophobicContact CG1-SD 4.21Å; V143-L179 HydrophobicContact CG1-CD2 4.03Å; V143-I181 HydrophobicContact CB-CD1 4.25Å; V143-I181 HydrophobicContact CG1-CD1 4.43Å; V143-I181 HydrophobicContact CG2-CD1 3.31Å; V143-I181 HydrophobicContact CG2-CG1 4.03Å
144	R	92.3	Very high	89.4	Confident	39 Å²	39	29 Å²	29	15%	0.147	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	138	173.1	-70.1	-178.6	177.3	86.5	-2.3	109.7	A117 H118 A135 S136 D140 W146 G155 R156	A117-R144 WeakPolarHBondContact O-CD 3.18Å; A117-R144 PolarHBondContact O-NE 3.14Å; A117-R144 PolarHBondContact O-NH1 2.89Å; H118-R144 PolarHBondContact CE1-NH1 2.67Å; H118-R144 PolarHBondContact ND1-NH1 3.42Å; A135-R144 CarbonylContact C-O 3.59Å; A135-R144 WeakPolarHBondContact CA-O 3.39Å; S136-R144 PolarHBondContact N-O 3.22Å; S136-R144 PolarHBondContact O-N 2.92Å; D140-R144 IonicContact OD1-NH1 3.97Å; D140-R144 IonicContact OD2-CZ 3.95Å; D140-R144 IonicContact OD2-NH1 3.56Å; D140-R144 PolarHBondContact OD2-NH1 3.23Å; D140-R144 IonicContact OD2-NH2 3.65Å; R144-W146 HydrophobicContact CB-CZ2 3.73Å; R144-W146 HydrophobicContact CG-CZ2 4.31Å; R144-W146 PolarHBondContact O-NE1 2.9Å; R144-G155 WeakPolarHBondContact CA-O 3.44Å; R144-R156 HydrophobicContact CG-CB 4.32Å; R144-R156 HydrophobicContact CG-CG 4.29Å
145	I	93	Very high	89.1	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	140.9	173.2	-64.1	88.1	0	0	0	108.2	F128 R133 A134 V143 P153 L154 G155 Y157 M193	F128-I145 HydrophobicContact CE2-CG1 4.32Å; F128-I145 HydrophobicContact CE2-CG2 4.13Å; F128-I145 HydrophobicContact CZ-CG1 4.37Å; R133-I145 HydrophobicContact CB-CG2 4.43Å; A134-I145 CarbonylContact O-C 3.54Å; A134-I145 WeakPolarHBondContact O-CA 3.48Å; V143-I145 HydrophobicContact CG1-CD1 4.41Å; I145-P153 CarbonylContact O-C 3.52Å; I145-P153 WeakPolarHBondContact O-CA 3.03Å; I145-L154 HydrophobicContact CG2-CB 4.2Å; I145-L154 HydrophobicContact CG2-CD1 4.14Å; I145-L154 PolarHBondContact O-N 2.92Å; I145-G155 PolarHBondContact N-O 2.87Å; I145-Y157 HydrophobicContact CD1-CD2 3.46Å; I145-Y157 VanDerWaalsContact CD1-CD2 3.46Å; I145-Y157 HydrophobicContact CD1-CE2 3.43Å; I145-Y157 VanDerWaalsContact CD1-CE2 3.43Å; I145-M193 HydrophobicContact CB-CE 3.91Å; I145-M193 HydrophobicContact CD1-CE 3.39Å; I145-M193 HydrophobicContact CD1-SD 3.47Å; I145-M193 WeakPolarHBondContact CD1-SD 3.32Å; I145-M193 HydrophobicContact CG1-CE 3.38Å; I145-M193 HydrophobicContact CG1-SD 3.6Å; I145-M193 HydrophobicContact CG2-CE 4.03Å
146	W	93.9	Very high	88.9	Confident	12 Å²	12	37.3 Å²	37.3	5%	0.045	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	141.4	-171.5	-57	96.3	0	0	0	110.2	L100 M115 A117 R133 A134 S136 R144 S152 P153	L100-W146 HydrophobicContact CD2-CG 4.26Å; M115-W146 HydrophobicContact CB-CZ3 4.45Å; M115-W146 HydrophobicContact CE-CB 3.7Å; M115-W146 HydrophobicContact CE-CD2 3.24Å; M115-W146 HydrophobicContact CE-CE3 2.9Å; M115-W146 HydrophobicContact CE-CG 3.59Å; M115-W146 HydrophobicContact CE-CH2 4.46Å; M115-W146 HydrophobicContact CE-CZ3 3.57Å; A117-W146 HydrophobicContact CB-CH2 4.07Å; A117-W146 HydrophobicContact CB-CZ2 3.33Å; R133-W146 CarbonylContact C-O 3.52Å; R133-W146 WeakPolarHBondContact CA-O 3.31Å; A134-W146 HydrophobicContact CB-CB 4.33Å; A134-W146 PolarHBondContact N-O 3.01Å; A134-W146 PolarHBondContact O-N 3.41Å; S136-W146 PolarHBondContact OG-NE1 2.86Å; R144-W146 HydrophobicContact CB-CZ2 3.73Å; R144-W146 HydrophobicContact CG-CZ2 4.31Å; R144-W146 PolarHBondContact O-NE1 2.9Å; W146-S152 WeakPolarHBondContact CA-O 3.47Å; W146-P153 VanDerWaalsContact CE3-CA 3.42Å; W146-P153 HydrophobicContact CE3-CB 3.76Å; W146-P153 HydrophobicContact CE3-CG 4.47Å; W146-P153 HydrophobicContact CH2-CB 4.09Å; W146-P153 HydrophobicContact CZ3-CB 3.55Å; W146-P153 HydrophobicContact CZ3-CG 3.97Å
147	D	91.9	Very high	88.6	Confident	29 Å²	29	38.1 Å²	38.1	16%	0.155	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	122.2	162.7	-173.6	-20.7	0	0	0	108.5	T149 L150 G151 S152 L154	D147-T149 VanDerWaalsContact C-N 3.27Å; D147-T149 PolarHBondContact O-N 2.89Å; D147-T149 WeakPolarHBondContact OD1-CB 3.26Å; D147-T149 PolarHBondContact OD1-N 3.17Å; D147-T149 PolarHBondContact OD1-OG1 2.94Å; D147-T149 PolarHBondContact OD2-OG1 3.26Å; D147-L150 HydrophobicContact CB-CB 4.27Å; D147-L150 WeakPolarHBondContact OD2-CD1 3.36Å; D147-L150 WeakPolarHBondContact OD2-CG 3.27Å; D147-G151 WeakPolarHBondContact O-CA 3.44Å; D147-G151 PolarHBondContact O-N 3.03Å; D147-S152 PolarHBondContact N-O 3.21Å; D147-L154 HydrophobicContact CB-CD1 4.08Å; D147-L154 HydrophobicContact CB-CD2 4.22Å; D147-L154 HydrophobicContact CB-CG 4.07Å
148	V	90.3	Very high	88.1	Confident	10 Å²	10	40.6 Å²	40.6	6%	0.061	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-32.7	-179.6	173.6	0	0	0	0	111.3	L90 I102 F127 L132 A134	L90-V148 HydrophobicContact CD1-CG1 3.82Å; I102-V148 HydrophobicContact CD1-CB 4.5Å; I102-V148 HydrophobicContact CD1-CG1 4.26Å; F127-V148 HydrophobicContact CD1-CG2 3.76Å; F127-V148 HydrophobicContact CE1-CB 4.42Å; F127-V148 HydrophobicContact CE1-CG1 3.87Å; F127-V148 HydrophobicContact CE1-CG2 3.58Å; L132-V148 VanDerWaalsContact O-CB 3.26Å; L132-V148 WeakPolarHBondContact O-CB 3.24Å; L132-V148 VanDerWaalsContact O-CG2 3.25Å; L132-V148 WeakPolarHBondContact O-CG2 3.38Å; L132-V148 PolarHBondContact O-N 2.94Å; A134-V148 HydrophobicContact CB-CG2 3.92Å
149	T	86.9	Confident	87.4	Confident	79 Å²	79	41.3 Å²	41.3	49%	0.485	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-50.4	-174.4	67.1	0	0	0	0	111.3	R113 D147	R113-T149 PolarHBondContact NE-O 2.88Å; R113-T149 PolarHBondContact NH2-O 3.12Å; D147-T149 VanDerWaalsContact C-N 3.27Å; D147-T149 PolarHBondContact O-N 2.89Å; D147-T149 WeakPolarHBondContact OD1-CB 3.26Å; D147-T149 PolarHBondContact OD1-N 3.17Å; D147-T149 PolarHBondContact OD1-OG1 2.94Å; D147-T149 PolarHBondContact OD2-OG1 3.26Å
150	L	86.8	Confident	86.5	Confident	115 Å²	115	41.3 Å²	41.3	60%	0.602	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-31.5	-179.3	-62.5	178.9	0	0	0	112.2	D147 S152	D147-L150 HydrophobicContact CB-CB 4.27Å; D147-L150 WeakPolarHBondContact OD2-CD1 3.36Å; D147-L150 WeakPolarHBondContact OD2-CG 3.27Å; L150-S152 VanDerWaalsContact C-N 3.27Å; L150-S152 WeakPolarHBondContact CB-OG 3.48Å
151	G	84.6	Confident	85.3	Confident	16 Å²	16	47.9 Å²	47.9	17%	0.165	27%	0.271	C	S	.	.			trans	71.6	24	-170.1	0	0	0	0	0	112.8	M115 D147	M115-G151 VanDerWaalsContact CE-C 3.43Å; M115-G151 WeakPolarHBondContact CE-O 3.47Å; M115-G151 WeakPolarHBondContact CG-O 3.41Å; M115-G151 VanDerWaalsContact SD-CA 3.55Å; D147-G151 WeakPolarHBondContact O-CA 3.44Å; D147-G151 PolarHBondContact O-N 3.03Å
152	S	89	Confident	83.9	Confident	42 Å²	42	49.3 Å²	49.3	29%	0.294	29%	0.285	S	S	.	.			trans	-99.5	149.2	178	52	0	0	0	0	111.1	W146 D147 L150 L154	W146-S152 WeakPolarHBondContact CA-O 3.47Å; D147-S152 PolarHBondContact N-O 3.21Å; L150-S152 VanDerWaalsContact C-N 3.27Å; L150-S152 WeakPolarHBondContact CB-OG 3.48Å; S152-L154 PolarHBondContact O-N 2.7Å
153	P	90.3	Very high	82.3	Confident	86 Å²	86	54.5 Å²	54.5	56%	0.558	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.1	128.4	173.6	28.4	-29.5	0	0	0	109.6	I145 W146	I145-P153 CarbonylContact O-C 3.52Å; I145-P153 WeakPolarHBondContact O-CA 3.03Å; W146-P153 VanDerWaalsContact CE3-CA 3.42Å; W146-P153 HydrophobicContact CE3-CB 3.76Å; W146-P153 HydrophobicContact CE3-CG 4.47Å; W146-P153 HydrophobicContact CH2-CB 4.09Å; W146-P153 HydrophobicContact CZ3-CB 3.55Å; W146-P153 HydrophobicContact CZ3-CG 3.97Å
154	L	88.2	Confident	80.8	Confident	95 Å²	95	58.3 Å²	58.3	50%	0.497	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	-34.3	173.7	-69.4	173.1	0	0	0	111.6	R133 I145 D147 S152	R133-L154 HydrophobicContact CG-CD1 4.02Å; I145-L154 HydrophobicContact CG2-CB 4.2Å; I145-L154 HydrophobicContact CG2-CD1 4.14Å; I145-L154 PolarHBondContact O-N 2.92Å; D147-L154 HydrophobicContact CB-CD1 4.08Å; D147-L154 HydrophobicContact CB-CD2 4.22Å; D147-L154 HydrophobicContact CB-CG 4.07Å; S152-L154 PolarHBondContact O-N 2.7Å
155	G	86.4	Confident	79.4	Confident	26 Å²	26	59.1 Å²	59.1	27%	0.268	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.1	163.9	-176.7	0	0	0	0	0	113	R144 I145	R144-G155 WeakPolarHBondContact CA-O 3.44Å; I145-G155 PolarHBondContact N-O 2.87Å
156	R	88.4	Confident	77.9	Confident	149 Å²	149	59.3 Å²	59.3	56%	0.562	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.7	134.3	176.8	174.9	-175.6	168.2	-166.9	-3.9	109.7	N142 V143 R144	N142-R156 HydrophobicContact CB-CG 4.34Å; N142-R156 PolarHBondContact ND2-NE 2.87Å; N142-R156 PolarHBondContact ND2-NH2 2.94Å; N142-R156 VanDerWaalsContact OD1-CZ 3.3Å; N142-R156 PolarHBondContact OD1-NE 2.8Å; N142-R156 PolarHBondContact OD1-NH2 2.89Å; V143-R156 CarbonylContact O-C 3.6Å; V143-R156 VanDerWaalsContact O-CA 3.29Å; V143-R156 WeakPolarHBondContact O-CA 3.4Å; R144-R156 HydrophobicContact CG-CB 4.32Å; R144-R156 HydrophobicContact CG-CG 4.29Å
157	Y	86.3	Confident	76.9	Confident	18 Å²	18	63.9 Å²	63.9	7%	0.071	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	129.1	171.1	-62.9	-84.6	0	0	0	109.6	N142 V143 I145 Y191 M193 E195 P196	N142-Y157 WeakPolarHBondContact CA-O 3.08Å; V143-Y157 PolarHBondContact N-O 3.42Å; V143-Y157 PolarHBondContact O-N 3.24Å; I145-Y157 HydrophobicContact CD1-CD2 3.46Å; I145-Y157 VanDerWaalsContact CD1-CD2 3.46Å; I145-Y157 HydrophobicContact CD1-CE2 3.43Å; I145-Y157 VanDerWaalsContact CD1-CE2 3.43Å; Y157-Y191 AromaticContact CD1-CD1 3.5Å; Y157-Y191 HydrophobicContact CD1-CD1 3.5Å; Y157-Y191 AromaticContact CD1-CE1 3.56Å; Y157-Y191 HydrophobicContact CD1-CE1 3.56Å; Y157-Y191 AromaticContact CE1-CD1 3.92Å; Y157-Y191 HydrophobicContact CE1-CD1 3.92Å; Y157-Y191 HydrophobicContact CE1-CE1 4.39Å; Y157-Y191 AromaticContact CG-CD1 3.93Å; Y157-Y191 HydrophobicContact CG-CD1 3.93Å; Y157-Y191 AromaticContact CG-CE1 3.91Å; Y157-Y191 HydrophobicContact CG-CE1 3.91Å; Y157-M193 HydrophobicContact CD2-SD 4.4Å; Y157-M193 HydrophobicContact CE2-CE 3.62Å; Y157-M193 HydrophobicContact CE2-SD 3.54Å; Y157-M193 VanDerWaalsContact CE2-SD 3.54Å; Y157-M193 WeakPolarHBondContact OH-CA 3.1Å; Y157-M193 PolarHBondContact OH-O 3.38Å; Y157-E195 WeakPolarHBondContact CE1-O 2.93Å; Y157-E195 PolarHBondContact OH-O 3.33Å; Y157-P196 WeakPolarHBondContact CD1-O 3.44Å; Y157-P196 WeakPolarHBondContact CE1-O 3.2Å
158	A	80.8	Confident	76.2	Confident	51 Å²	51	62.7 Å²	62.7	42%	0.421	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	122.2	167.9	0	0	0	0	0	108.3	Y191	A158-Y191 PolarHBondContact O-OH 3.24Å
159	V	74.4	Confident	76.2	Confident	16 Å²	16	63.2 Å²	63.2	10%	0.097	37%	0.365	C	S	.	.			trans	-89.2	-50.3	-177.2	-177.5	0	0	0	0	110.1	A141 V143 I181	A141-V159 PolarHBondContact O-N 3.34Å; A141-V159 VanDerWaalsContact O-N 3.13Å; V143-V159 HydrophobicContact CG2-CG2 3.47Å; V143-V159 VanDerWaalsContact CG2-CG2 3.47Å; V159-I181 HydrophobicContact CG1-CG2 3.87Å; V159-I181 HydrophobicContact CG2-CD1 4.14Å; V159-I181 HydrophobicContact CG2-CG2 4.06Å
160	C	67.1	Low	76.4	Confident	36 Å²	36	60.6 Å²	60.6	24%	0.243	35%	0.349	C	S	.	.			trans	-134.1	150.3	179.8	-170.3	0	0	0	0	110.1	G162	C160-G162 PolarHBondContact O-N 2.8Å
161	N	59	Low	76.6	Confident	171 Å²	171	55.6 Å²	55.6	91%	0.914	32%	0.323	S	S	*	.	S	Bend	trans	-84.6	5.4	176.5	-69.1	-5.6	0	0	0	112.8
162	G	53.9	Low	76.7	Confident	33 Å²	33	54.9 Å²	54.9	34%	0.34	32%	0.315	S	S	.	.	S	Bend	trans	-108.2	167.1	-175.9	0	0	0	0	0	114.4	C160 E164	C160-G162 PolarHBondContact O-N 2.8Å; G162-E164 PolarHBondContact O-N 2.8Å
163	S	53.8	Low	76.8	Confident	121 Å²	121	55 Å²	55	85%	0.846	31%	0.31	S	S	*	.	S	Bend	trans	-69.1	22.2	175.9	-176.3	0	0	0	0	114.1
164	E	58.7	Low	76.7	Confident	80 Å²	80	55.6 Å²	55.6	37%	0.374	31%	0.311	S	S	.	.			trans	-102.6	137	-166.7	-70.4	175.2	169.2	0	0	112.2	G162 A166 N185	G162-E164 PolarHBondContact O-N 2.8Å; E164-A166 PolarHBondContact O-N 3.42Å; E164-N185 PolarHBondContact OE2-ND2 3.48Å; E164-N185 PolarHBondContact OE2-OD1 2.93Å
165	V	63.1	Low	76.7	Confident	57 Å²	57	53.9 Å²	53.9	35%	0.345	30%	0.303	S	S	.	.			trans	-89.2	105.4	-171.1	-172.1	0	0	0	0	109.4	L184	V165-L184 VanDerWaalsContact O-CD1 3.31Å; V165-L184 WeakPolarHBondContact O-CD1 3.47Å; V165-L184 WeakPolarHBondContact O-CG 3.49Å
166	A	62.9	Low	76.8	Confident	3 Å²	3	55.2 Å²	55.2	3%	0.025	30%	0.304	C	S	.	.			trans	-62.5	136.7	167.1	0	0	0	0	0	110.1	S123 L137 E164 I181	S123-A166 WeakPolarHBondContact CB-O 3.45Å; S123-A166 PolarHBondContact OG-O 3.15Å; L137-A166 HydrophobicContact CD1-CB 3.94Å; L137-A166 HydrophobicContact CD2-CB 3.72Å; L137-A166 VanDerWaalsContact CD2-O 3.26Å; L137-A166 WeakPolarHBondContact CD2-O 3.32Å; L137-A166 HydrophobicContact CG-CB 4.18Å; E164-A166 PolarHBondContact O-N 3.42Å; A166-I181 HydrophobicContact CB-CG2 4.19Å
167	R	71.3	Confident	76.8	Confident	109 Å²	109	49.2 Å²	49.2	41%	0.411	28%	0.282	S	S	.	.			trans	-113.6	-41.4	-171.1	-167.1	-176.6	179.8	95.2	3.8	112.9	T124 G182	T124-R167 WeakPolarHBondContact CG2-O 3.42Å; R167-G182 PolarHBondContact N-O 2.89Å
168	G	79	Confident	77.1	Confident	4 Å²	4	49.3 Å²	49.3	4%	0.041	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	124.8	-178.3	0	0	0	0	0	111.6	I181 G182	G168-I181 WeakPolarHBondContact O-CA 3.29Å; G168-G182 PolarHBondContact O-N 2.97Å
169	M	89.3	Confident	77.6	Confident	20 Å²	20	46.9 Å²	46.9	10%	0.099	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	133.1	169.7	-175.5	-179.9	64.6	0	0	109.1	T124 S126 A135 L137 V143 L179 C180 I181	T124-M169 WeakPolarHBondContact OG1-CB 3.47Å; S126-M169 WeakPolarHBondContact OG-CE 3.39Å; A135-M169 HydrophobicContact CB-CE 3.89Å; A135-M169 HydrophobicContact CB-SD 3.73Å; L137-M169 HydrophobicContact CB-SD 4.1Å; L137-M169 HydrophobicContact CD2-CB 4.17Å; V143-M169 HydrophobicContact CG1-SD 4.21Å; M169-L179 HydrophobicContact CG-CD1 3.85Å; M169-L179 HydrophobicContact SD-CD1 4.14Å; M169-C180 WeakPolarHBondContact CA-O 3.33Å; M169-I181 HydrophobicContact CG-CG1 4.14Å
170	V	91	Very high	78.5	Confident	25 Å²	25	46.1 Å²	46.1	15%	0.152	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	136.8	175.9	177.4	0	0	0	0	109.8	C180 L211 L213	V170-C180 PolarHBondContact N-O 3.36Å; V170-C180 PolarHBondContact O-N 3.44Å; V170-L211 HydrophobicContact CB-CB 4.33Å; V170-L211 VanDerWaalsContact CG2-C 3.43Å; V170-L211 HydrophobicContact CG2-CB 3.5Å; V170-L211 WeakPolarHBondContact CG2-O 3.06Å; V170-L213 HydrophobicContact CG1-CB 3.93Å; V170-L213 HydrophobicContact CG1-CD1 3.77Å; V170-L213 HydrophobicContact CG1-CG 3.72Å
171	T	91.1	Very high	79.6	Confident	10 Å²	10	44.4 Å²	44.4	6%	0.061	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	143.3	173.7	51.2	0	0	0	0	110	S126 F127 F128 A135 L179	S126-T171 WeakPolarHBondContact OG-CG2 3.46Å; F127-T171 PolarHBondContact O-OG1 3.1Å; F128-T171 HydrophobicContact CD1-CG2 3.93Å; F128-T171 HydrophobicContact CD2-CG2 4.37Å; F128-T171 HydrophobicContact CE1-CG2 3.84Å; F128-T171 HydrophobicContact CE2-CG2 4.32Å; F128-T171 HydrophobicContact CG-CG2 4.22Å; F128-T171 HydrophobicContact CZ-CG2 4.06Å; A135-T171 HydrophobicContact CB-CG2 4.43Å; T171-L179 HydrophobicContact CG2-CD1 3.84Å
172	G	87.7	Confident	81.1	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.204	C	C	.	.			trans	-58.3	141.1	175.7	0	0	0	0	0	112.9	Y129 D175 L178 D217	Y129-G172 WeakPolarHBondContact CD2-O 3.42Å; G172-D175 WeakPolarHBondContact CA-O 3.16Å; G172-L178 PolarHBondContact N-O 2.87Å; G172-D217 WeakPolarHBondContact CA-OD2 3.47Å
173	R	89.5	Confident	82.6	Confident	46 Å²	46	35.1 Å²	35.1	17%	0.174	19%	0.19	C	C	.	.	S	Bend	trans	-82.5	-36.3	177.1	-52.5	-150	-177.8	-172.9	-0.2	112.8	Y129 D217 I259 E260	Y129-R173 HydrophobicContact CD1-CB 4.24Å; Y129-R173 VanDerWaalsContact CD2-CA 3.48Å; Y129-R173 HydrophobicContact CD2-CB 4.32Å; Y129-R173 HydrophobicContact CD2-CG 4.46Å; Y129-R173 HydrophobicContact CE1-CB 3.95Å; Y129-R173 HydrophobicContact CE1-CG 4Å; Y129-R173 HydrophobicContact CE2-CB 3.99Å; Y129-R173 HydrophobicContact CE2-CG 3.66Å; Y129-R173 HydrophobicContact CG-CB 4.42Å; Y129-R173 WeakPolarHBondContact OH-CD 3.45Å; Y129-R173 WeakPolarHBondContact OH-CG 3.46Å; Y129-R173 PolarHBondContact OH-NE 2.96Å; Y129-R173 VanDerWaalsContact OH-NE 3.15Å; R173-D217 VanDerWaalsContact N-CG 3.28Å; R173-D217 PolarHBondContact N-OD1 3.04Å; R173-D217 PolarHBondContact N-OD2 3.04Å; R173-I259 PolarHBondContact NH2-O 2.8Å; R173-E260 IonicContact CZ-OE1 3.72Å; R173-E260 IonicContact NH1-OE1 3.6Å; R173-E260 PolarHBondContact NH1-OE1 2.87Å; R173-E260 IonicContact NH2-OE1 2.94Å; R173-E260 PolarHBondContact NH2-OE1 2.99Å
174	V	88	Confident	84.1	Confident	97 Å²	97	33.1 Å²	33.1	59%	0.588	17%	0.17	S	C	*	.	S	Bend	trans	-102.4	-51.9	-178.8	-176	0	0	0	0	109.4	N176 K215 D217	V174-N176 PolarHBondContact O-N 3.45Å; V174-K215 WeakPolarHBondContact CG2-O 3.17Å; V174-D217 WeakPolarHBondContact CA-OD2 3.46Å; V174-D217 PolarHBondContact N-OD2 3.4Å
175	D	88.7	Confident	85.4	Confident	60 Å²	60	33.1 Å²	33.1	32%	0.321	17%	0.172	S	C	.	.			trans	-89.5	107.9	176.3	-173.5	7	0	0	0	110.7	G172 N177 L178 D217	G172-D175 WeakPolarHBondContact CA-O 3.16Å; D175-N177 PolarHBondContact O-N 2.99Å; D175-N177 VanDerWaalsContact O-N 3.12Å; D175-N177 PolarHBondContact OD1-N 2.95Å; D175-N177 PolarHBondContact OD1-ND2 3.07Å; D175-L178 HydrophobicContact CB-CB 4.03Å; D175-L178 PolarHBondContact O-N 2.93Å; D175-D217 PolarHBondContact N-OD2 2.95Å
176	N	87.9	Confident	86.5	Confident	54 Å²	54	30.4 Å²	30.4	29%	0.289	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-10.5	178.2	-65.7	-42.6	0	0	0	113.7	F128 D130 V174	F128-N176 WeakPolarHBondContact CD1-O 3.45Å; F128-N176 VanDerWaalsContact CE1-O 3.29Å; F128-N176 WeakPolarHBondContact CE1-O 3.41Å; D130-N176 PolarHBondContact N-OD1 3.27Å; V174-N176 PolarHBondContact O-N 3.45Å
177	N	90.3	Very high	87.7	Confident	22 Å²	22	33 Å²	33	12%	0.118	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-7.6	178.1	-52.4	-64.6	0	0	0	112.8	R133 D175 D192 M193 R194	R133-N177 PolarHBondContact NH1-OD1 3.17Å; D175-N177 PolarHBondContact O-N 2.99Å; D175-N177 VanDerWaalsContact O-N 3.12Å; D175-N177 PolarHBondContact OD1-N 2.95Å; D175-N177 PolarHBondContact OD1-ND2 3.07Å; N177-D192 VanDerWaalsContact CB-OD1 3.32Å; N177-D192 WeakPolarHBondContact CB-OD1 3.45Å; N177-D192 WeakPolarHBondContact O-CA 3.34Å; N177-M193 HydrophobicContact CB-CB 3.97Å; N177-M193 WeakPolarHBondContact O-CB 3.33Å; N177-M193 VanDerWaalsContact O-CG 3.25Å; N177-M193 WeakPolarHBondContact O-CG 3.43Å; N177-M193 PolarHBondContact O-N 3.23Å; N177-R194 HydrophobicContact CB-CG 4.46Å; N177-R194 PolarHBondContact ND2-NE 3.29Å; N177-R194 PolarHBondContact ND2-NH2 3.14Å
178	L	92.1	Very high	88.7	Confident	20 Å²	20	27.8 Å²	27.8	11%	0.105	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	127.9	179.6	-175.5	68.8	0	0	0	110.9	G172 D175 I190 L213 D217 F233	G172-L178 PolarHBondContact N-O 2.87Å; D175-L178 HydrophobicContact CB-CB 4.03Å; D175-L178 PolarHBondContact O-N 2.93Å; L178-I190 HydrophobicContact CD1-CG2 3.8Å; L178-L213 HydrophobicContact CD2-CD1 3.73Å; L178-L213 HydrophobicContact CD2-CD2 4.36Å; L178-L213 HydrophobicContact CG-CD1 4.41Å; L178-D217 HydrophobicContact CD2-CB 4.02Å; L178-F233 HydrophobicContact CD2-CE2 4.49Å; L178-F233 HydrophobicContact CD2-CZ 4.49Å
179	L	91.5	Very high	89.2	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	120.3	175.9	180	74.3	0	0	0	110.1	A135 V143 M169 T171 I181 Y191 M193	A135-L179 HydrophobicContact CB-CD1 4.28Å; V143-L179 HydrophobicContact CG1-CD2 4.03Å; M169-L179 HydrophobicContact CG-CD1 3.85Å; M169-L179 HydrophobicContact SD-CD1 4.14Å; T171-L179 HydrophobicContact CG2-CD1 3.84Å; L179-I181 HydrophobicContact CD2-CD1 3.75Å; L179-I181 HydrophobicContact CD2-CG1 4.49Å; L179-I181 HydrophobicContact CG-CD1 3.96Å; L179-I181 HydrophobicContact CG-CG1 4.26Å; L179-Y191 PolarHBondContact N-O 3.15Å; L179-Y191 PolarHBondContact O-N 3.24Å; L179-M193 HydrophobicContact CD2-SD 4.22Å
180	C	92.2	Very high	89.3	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	130.2	178.1	-62.8	0	0	0	0	109.9	M169 V170 L211 L220	M169-C180 WeakPolarHBondContact CA-O 3.33Å; V170-C180 PolarHBondContact N-O 3.36Å; V170-C180 PolarHBondContact O-N 3.44Å; C180-L211 HydrophobicContact CB-CD1 4.26Å; C180-L220 HydrophobicContact CB-CD1 3.92Å
181	I	90.7	Very high	89.3	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	134.1	-178.2	-64.7	143.3	0	0	0	109.7	L137 V143 V159 A166 G168 M169 L179 V188 A189 Y191	L137-I181 HydrophobicContact CD1-CG2 4.37Å; L137-I181 HydrophobicContact CD2-CG2 4.5Å; V143-I181 HydrophobicContact CB-CD1 4.25Å; V143-I181 HydrophobicContact CG1-CD1 4.43Å; V143-I181 HydrophobicContact CG2-CD1 3.31Å; V143-I181 HydrophobicContact CG2-CG1 4.03Å; V159-I181 HydrophobicContact CG1-CG2 3.87Å; V159-I181 HydrophobicContact CG2-CD1 4.14Å; V159-I181 HydrophobicContact CG2-CG2 4.06Å; A166-I181 HydrophobicContact CB-CG2 4.19Å; G168-I181 WeakPolarHBondContact O-CA 3.29Å; M169-I181 HydrophobicContact CG-CG1 4.14Å; L179-I181 HydrophobicContact CD2-CD1 3.75Å; L179-I181 HydrophobicContact CD2-CG1 4.49Å; L179-I181 HydrophobicContact CG-CD1 3.96Å; L179-I181 HydrophobicContact CG-CG1 4.26Å; I181-V188 CarbonylContact O-C 3.49Å; I181-V188 VanDerWaalsContact O-CA 3.26Å; I181-V188 WeakPolarHBondContact O-CA 3.07Å; I181-A189 PolarHBondContact N-O 3.48Å; I181-A189 PolarHBondContact O-N 2.91Å; I181-Y191 HydrophobicContact CD1-CD2 3.61Å; I181-Y191 HydrophobicContact CD1-CE2 3.53Å
182	G	90.1	Very high	89.2	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	133.8	177.3	0	0	0	0	0	111.8	R167 G168	R167-G182 PolarHBondContact N-O 2.89Å; G168-G182 PolarHBondContact O-N 2.97Å
183	D	86.4	Confident	89.1	Confident	9 Å²	9	28.8 Å²	28.8	5%	0.048	15%	0.153	C	C	.	.			trans	-97.7	174.4	174.1	77	16.1	0	0	0	112.7	N185 G186 N187 V208	D183-N185 VanDerWaalsContact C-N 3.31Å; D183-N185 WeakPolarHBondContact OD1-CA 3.12Å; D183-N185 PolarHBondContact OD1-N 3.38Å; D183-G186 PolarHBondContact OD1-N 2.87Å; D183-N187 PolarHBondContact N-O 2.84Å; D183-N187 PolarHBondContact OD1-N 2.82Å; D183-N187 VanDerWaalsContact OD2-CB 3.27Å; D183-N187 WeakPolarHBondContact OD2-CB 3.19Å; D183-N187 PolarHBondContact OD2-ND2 2.9Å; D183-V208 WeakPolarHBondContact O-CB 3.47Å; D183-V208 PolarHBondContact O-N 3.15Å
184	L	85.1	Confident	89.1	Confident	79 Å²	79	35.1 Å²	35.1	41%	0.414	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-7.4	177.6	-65.5	174.8	0	0	0	113.6	V165 G186 A207	V165-L184 VanDerWaalsContact O-CD1 3.31Å; V165-L184 WeakPolarHBondContact O-CD1 3.47Å; V165-L184 WeakPolarHBondContact O-CG 3.49Å; L184-G186 VanDerWaalsContact C-N 3.33Å; L184-A207 HydrophobicContact CB-CB 4.48Å; L184-A207 HydrophobicContact CD2-CB 4.31Å; L184-A207 VanDerWaalsContact O-CA 3.31Å; L184-A207 WeakPolarHBondContact O-CA 3.39Å; L184-A207 WeakPolarHBondContact O-CB 3.17Å
185	N	85.4	Confident	89.1	Confident	80 Å²	80	35.3 Å²	35.3	43%	0.428	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-5.2	175.1	-69.7	-26.6	0	0	0	113	E164 D183	E164-N185 PolarHBondContact OE2-ND2 3.48Å; E164-N185 PolarHBondContact OE2-OD1 2.93Å; D183-N185 VanDerWaalsContact C-N 3.31Å; D183-N185 WeakPolarHBondContact OD1-CA 3.12Å; D183-N185 PolarHBondContact OD1-N 3.38Å
186	G	86.3	Confident	88.7	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.191	C	C	.	.	S	Bend	trans	95.3	4.5	-177.4	0	0	0	0	0	113.8	D183 L184 F204 S206	D183-G186 PolarHBondContact OD1-N 2.87Å; L184-G186 VanDerWaalsContact C-N 3.33Å; G186-F204 WeakPolarHBondContact O-CA 2.97Å; G186-F204 VanDerWaalsContact O-CB 3.25Å; G186-F204 WeakPolarHBondContact O-CB 3.47Å; G186-F204 WeakPolarHBondContact O-CD2 3.15Å; G186-F204 PolarHBondContact O-N 2.78Å; G186-S206 VanDerWaalsContact CA-O 3.24Å; G186-S206 WeakPolarHBondContact CA-O 3.34Å
187	N	89.3	Confident	88.6	Confident	57 Å²	57	42.7 Å²	42.7	31%	0.305	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	128.7	175.3	-45.7	-60.4	0	0	0	110.7	D183 I202	D183-N187 PolarHBondContact N-O 2.84Å; D183-N187 PolarHBondContact OD1-N 2.82Å; D183-N187 VanDerWaalsContact OD2-CB 3.27Å; D183-N187 WeakPolarHBondContact OD2-CB 3.19Å; D183-N187 PolarHBondContact OD2-ND2 2.9Å; N187-I202 CarbonylContact C-O 3.6Å; N187-I202 WeakPolarHBondContact CA-O 3.32Å
188	V	90.8	Very high	88.5	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	118.9	166.6	-178.8	0	0	0	0	108.3	I181 R201 I202 F204 V208 L211 L220 V222	I181-V188 CarbonylContact O-C 3.49Å; I181-V188 VanDerWaalsContact O-CA 3.26Å; I181-V188 WeakPolarHBondContact O-CA 3.07Å; V188-R201 WeakPolarHBondContact O-CA 3.25Å; V188-I202 PolarHBondContact N-O 2.87Å; V188-I202 PolarHBondContact O-N 3.47Å; V188-F204 HydrophobicContact CB-CD2 4.23Å; V188-F204 HydrophobicContact CB-CE2 3.8Å; V188-F204 HydrophobicContact CG2-CD2 3.58Å; V188-F204 HydrophobicContact CG2-CE2 3.41Å; V188-F204 VanDerWaalsContact CG2-CE2 3.41Å; V188-F204 HydrophobicContact CG2-CZ 4.33Å; V188-V208 HydrophobicContact CG2-CG1 4.38Å; V188-V208 HydrophobicContact CG2-CG2 3.76Å; V188-L211 HydrophobicContact CG1-CD1 4.46Å; V188-L211 HydrophobicContact CG2-CD2 4.26Å; V188-L220 HydrophobicContact CG1-CD2 4.02Å; V188-V222 HydrophobicContact CG2-CG1 3.96Å; V188-V222 HydrophobicContact CG2-CG2 4.35Å
189	A	90.4	Very high	88.3	Confident	5 Å²	5	46.4 Å²	46.4	4%	0.041	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	126.4	174.3	0	0	0	0	0	109.7	I181 Y191 P198 R201	I181-A189 PolarHBondContact N-O 3.48Å; I181-A189 PolarHBondContact O-N 2.91Å; A189-Y191 HydrophobicContact CB-CD2 4.2Å; A189-Y191 HydrophobicContact CB-CE2 3.48Å; A189-Y191 VanDerWaalsContact CB-CE2 3.48Å; A189-P198 HydrophobicContact CB-CB 4.43Å; A189-R201 HydrophobicContact CB-CG 4.45Å
190	I	91.8	Very high	88.2	Confident	8 Å²	8	48.9 Å²	48.9	4%	0.041	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	124.8	175.2	-61.7	150	0	0	0	107.2	L178 P198 V199 Q200 I202 F233	L178-I190 HydrophobicContact CD1-CG2 3.8Å; I190-P198 CarbonylContact O-C 3.57Å; I190-P198 WeakPolarHBondContact O-CA 3.38Å; I190-V199 PolarHBondContact O-N 3.34Å; I190-Q200 HydrophobicContact CB-CB 4.36Å; I190-Q200 HydrophobicContact CD1-CB 4.02Å; I190-Q200 PolarHBondContact N-O 3.41Å; I190-Q200 PolarHBondContact O-N 3.12Å; I190-I202 HydrophobicContact CD1-CD1 3.67Å; I190-I202 HydrophobicContact CD1-CG1 4.41Å; I190-F233 HydrophobicContact CD1-CD1 4.46Å; I190-F233 HydrophobicContact CD1-CE1 3.6Å; I190-F233 HydrophobicContact CD1-CZ 4.34Å; I190-F233 HydrophobicContact CG1-CE1 3.99Å; I190-F233 HydrophobicContact CG1-CZ 4.43Å; I190-F233 HydrophobicContact CG2-CE1 3.99Å
191	Y	90.3	Very high	88	Confident	1 Å²	1	56.6 Å²	56.6	0%	0.004	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	133.9	178.9	-67.4	-93.9	0	0	0	109.5	Y157 A158 L179 I181 A189 P198	Y157-Y191 AromaticContact CD1-CD1 3.5Å; Y157-Y191 HydrophobicContact CD1-CD1 3.5Å; Y157-Y191 AromaticContact CD1-CE1 3.56Å; Y157-Y191 HydrophobicContact CD1-CE1 3.56Å; Y157-Y191 AromaticContact CE1-CD1 3.92Å; Y157-Y191 HydrophobicContact CE1-CD1 3.92Å; Y157-Y191 HydrophobicContact CE1-CE1 4.39Å; Y157-Y191 AromaticContact CG-CD1 3.93Å; Y157-Y191 HydrophobicContact CG-CD1 3.93Å; Y157-Y191 AromaticContact CG-CE1 3.91Å; Y157-Y191 HydrophobicContact CG-CE1 3.91Å; A158-Y191 PolarHBondContact O-OH 3.24Å; L179-Y191 PolarHBondContact N-O 3.15Å; L179-Y191 PolarHBondContact O-N 3.24Å; I181-Y191 HydrophobicContact CD1-CD2 3.61Å; I181-Y191 HydrophobicContact CD1-CE2 3.53Å; A189-Y191 HydrophobicContact CB-CD2 4.2Å; A189-Y191 HydrophobicContact CB-CE2 3.48Å; A189-Y191 VanDerWaalsContact CB-CE2 3.48Å; Y191-P198 HydrophobicContact CD1-CB 3.95Å; Y191-P198 HydrophobicContact CE1-CB 3.64Å; Y191-P198 HydrophobicContact CE1-CG 4.13Å; Y191-P198 HydrophobicContact CE2-CB 4.3Å; Y191-P198 HydrophobicContact CG-CB 4.4Å
192	D	89.7	Confident	88	Confident	37 Å²	37	57.2 Å²	57.2	20%	0.198	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	120.8	153.9	-176.2	-16.4	0	0	0	106.8	N177 R194 E195 V199	N177-D192 VanDerWaalsContact CB-OD1 3.32Å; N177-D192 WeakPolarHBondContact CB-OD1 3.45Å; N177-D192 WeakPolarHBondContact O-CA 3.34Å; D192-R194 PolarHBondContact O-N 3.27Å; D192-R194 WeakPolarHBondContact OD1-CB 3.44Å; D192-R194 WeakPolarHBondContact OD1-CD 3.48Å; D192-R194 VanDerWaalsContact OD1-CG 3.27Å; D192-R194 WeakPolarHBondContact OD1-CG 3.5Å; D192-R194 PolarHBondContact OD1-N 2.94Å; D192-E195 PolarHBondContact O-N 2.86Å; D192-E195 VanDerWaalsContact O-O 3.06Å; D192-V199 HydrophobicContact CB-CG2 3.65Å
193	M	85.3	Confident	88	Confident	29 Å²	29	65 Å²	65	14%	0.143	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-14.6	179	-74.3	-62	-44.7	0	0	114.5	F128 I145 Y157 N177 L179 E195	F128-M193 HydrophobicContact CE1-CG 4.34Å; F128-M193 HydrophobicContact CZ-CG 4.24Å; F128-M193 HydrophobicContact CZ-SD 4.34Å; I145-M193 HydrophobicContact CB-CE 3.91Å; I145-M193 HydrophobicContact CD1-CE 3.39Å; I145-M193 HydrophobicContact CD1-SD 3.47Å; I145-M193 WeakPolarHBondContact CD1-SD 3.32Å; I145-M193 HydrophobicContact CG1-CE 3.38Å; I145-M193 HydrophobicContact CG1-SD 3.6Å; I145-M193 HydrophobicContact CG2-CE 4.03Å; Y157-M193 HydrophobicContact CD2-SD 4.4Å; Y157-M193 HydrophobicContact CE2-CE 3.62Å; Y157-M193 HydrophobicContact CE2-SD 3.54Å; Y157-M193 VanDerWaalsContact CE2-SD 3.54Å; Y157-M193 WeakPolarHBondContact OH-CA 3.1Å; Y157-M193 PolarHBondContact OH-O 3.38Å; N177-M193 HydrophobicContact CB-CB 3.97Å; N177-M193 WeakPolarHBondContact O-CB 3.33Å; N177-M193 VanDerWaalsContact O-CG 3.25Å; N177-M193 WeakPolarHBondContact O-CG 3.43Å; N177-M193 PolarHBondContact O-N 3.23Å; L179-M193 HydrophobicContact CD2-SD 4.22Å; M193-E195 VanDerWaalsContact C-N 3.34Å
194	R	88	Confident	88.1	Confident	179 Å²	179	64.8 Å²	64.8	68%	0.675	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-24.4	175.1	-61.3	166.5	-175.2	179	3.2	112.3	N177 D192	N177-R194 HydrophobicContact CB-CG 4.46Å; N177-R194 PolarHBondContact ND2-NE 3.29Å; N177-R194 PolarHBondContact ND2-NH2 3.14Å; D192-R194 PolarHBondContact O-N 3.27Å; D192-R194 WeakPolarHBondContact OD1-CB 3.44Å; D192-R194 WeakPolarHBondContact OD1-CD 3.48Å; D192-R194 VanDerWaalsContact OD1-CG 3.27Å; D192-R194 WeakPolarHBondContact OD1-CG 3.5Å; D192-R194 PolarHBondContact OD1-N 2.94Å
195	E	88	Confident	88.1	Confident	101 Å²	101	66.1 Å²	66.1	47%	0.472	32%	0.324	S	S	.	.	S	Bend	trans	-107.8	149.6	-179.6	-62.8	-169.2	170.5	0	0	111.1	Y157 D192 M193	Y157-E195 WeakPolarHBondContact CE1-O 2.93Å; Y157-E195 PolarHBondContact OH-O 3.33Å; D192-E195 PolarHBondContact O-N 2.86Å; D192-E195 VanDerWaalsContact O-O 3.06Å; M193-E195 VanDerWaalsContact C-N 3.34Å
196	P	81.5	Confident	88.2	Confident	112 Å²	112	64.9 Å²	64.9	73%	0.727	32%	0.321	S	S	*	.	S	Bend	trans	-81.6	-20	177.9	30.9	-34.3	0	0	0	113.3	Y157	Y157-P196 WeakPolarHBondContact CD1-O 3.44Å; Y157-P196 WeakPolarHBondContact CE1-O 3.2Å
197	K	86.2	Confident	88.4	Confident	158 Å²	158	66.6 Å²	66.6	69%	0.687	34%	0.336	S	S	*	.	S	Bend	trans	-101	151	-179.6	-68.9	179.7	-177.2	175.2	0	109.8	V199	K197-V199 PolarHBondContact O-N 3.16Å
198	P	86.5	Confident	88.4	Confident	35 Å²	35	63.9 Å²	63.9	23%	0.227	32%	0.321	C	S	.	.			trans	-63.6	133.1	171.2	25.9	-30.8	0	0	0	109.4	A189 I190 Y191 Q200 R201	A189-P198 HydrophobicContact CB-CB 4.43Å; I190-P198 CarbonylContact O-C 3.57Å; I190-P198 WeakPolarHBondContact O-CA 3.38Å; Y191-P198 HydrophobicContact CD1-CB 3.95Å; Y191-P198 HydrophobicContact CE1-CB 3.64Å; Y191-P198 HydrophobicContact CE1-CG 4.13Å; Y191-P198 HydrophobicContact CE2-CB 4.3Å; Y191-P198 HydrophobicContact CG-CB 4.4Å; P198-Q200 VanDerWaalsContact C-N 3.32Å; P198-R201 HydrophobicContact CB-CG 4.43Å; P198-R201 HydrophobicContact CG-CG 4.3Å
199	V	88.5	Confident	88.4	Confident	85 Å²	85	64.3 Å²	64.3	52%	0.515	32%	0.324	S	S	.	.	S	Bend	trans	-65.1	-41.2	177.7	176.1	0	0	0	0	110	I190 D192 K197	I190-V199 PolarHBondContact O-N 3.34Å; D192-V199 HydrophobicContact CB-CG2 3.65Å; K197-V199 PolarHBondContact O-N 3.16Å
200	Q	89	Confident	88.4	Confident	51 Å²	51	64.5 Å²	64.5	24%	0.238	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	147.8	-178.9	-162.7	173.2	13.4	0	0	111.7	I190 P198 I202	I190-Q200 HydrophobicContact CB-CB 4.36Å; I190-Q200 HydrophobicContact CD1-CB 4.02Å; I190-Q200 PolarHBondContact N-O 3.41Å; I190-Q200 PolarHBondContact O-N 3.12Å; P198-Q200 VanDerWaalsContact C-N 3.32Å; Q200-I202 HydrophobicContact CG-CG1 4.11Å
201	R	89.8	Confident	88.5	Confident	163 Å²	163	64.7 Å²	64.7	62%	0.615	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.6	123.3	171.2	-70.1	-178.8	171.7	-178	-4.4	108.9	V188 A189 P198	V188-R201 WeakPolarHBondContact O-CA 3.25Å; A189-R201 HydrophobicContact CB-CG 4.45Å; P198-R201 HydrophobicContact CB-CG 4.43Å; P198-R201 HydrophobicContact CG-CG 4.3Å
202	I	90.3	Very high	88.6	Confident	12 Å²	12	65 Å²	65	6%	0.062	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	131.9	-178	-54.1	169.1	0	0	0	107.6	N187 V188 I190 Q200 F204 W231 F238	N187-I202 CarbonylContact C-O 3.6Å; N187-I202 WeakPolarHBondContact CA-O 3.32Å; V188-I202 PolarHBondContact N-O 2.87Å; V188-I202 PolarHBondContact O-N 3.47Å; I190-I202 HydrophobicContact CD1-CD1 3.67Å; I190-I202 HydrophobicContact CD1-CG1 4.41Å; Q200-I202 HydrophobicContact CG-CG1 4.11Å; I202-F204 HydrophobicContact CB-CE2 3.86Å; I202-F204 HydrophobicContact CG2-CD2 4.13Å; I202-F204 HydrophobicContact CG2-CE2 3.46Å; I202-F204 VanDerWaalsContact CG2-CE2 3.46Å; I202-F204 HydrophobicContact CG2-CZ 3.92Å; I202-W231 HydrophobicContact CD1-CD2 3.6Å; I202-W231 VanDerWaalsContact CD1-CE2 3.42Å; I202-W231 HydrophobicContact CD1-CE3 4.21Å; I202-W231 HydrophobicContact CD1-CG 3.85Å; I202-W231 HydrophobicContact CD1-CH2 4.44Å; I202-W231 HydrophobicContact CD1-CZ2 3.89Å; I202-F238 HydrophobicContact CG2-CE1 4.34Å; I202-F238 HydrophobicContact CG2-CZ 3.97Å
203	K	89.4	Confident	88.8	Confident	164 Å²	164	63.4 Å²	63.4	71%	0.713	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.7	124	180	-173.4	174.8	-179	-178.9	0	110.4
204	F	88.8	Confident	89.1	Confident	5 Å²	5	62.1 Å²	62.1	2%	0.022	32%	0.315	C	S	.	.			trans	-102.6	156.1	176.9	-69	-100.3	0	0	0	110	G186 V188 I202 S206 V222 A224 Q229 F238	G186-F204 WeakPolarHBondContact O-CA 2.97Å; G186-F204 VanDerWaalsContact O-CB 3.25Å; G186-F204 WeakPolarHBondContact O-CB 3.47Å; G186-F204 WeakPolarHBondContact O-CD2 3.15Å; G186-F204 PolarHBondContact O-N 2.78Å; V188-F204 HydrophobicContact CB-CD2 4.23Å; V188-F204 HydrophobicContact CB-CE2 3.8Å; V188-F204 HydrophobicContact CG2-CD2 3.58Å; V188-F204 HydrophobicContact CG2-CE2 3.41Å; V188-F204 VanDerWaalsContact CG2-CE2 3.41Å; V188-F204 HydrophobicContact CG2-CZ 4.33Å; I202-F204 HydrophobicContact CB-CE2 3.86Å; I202-F204 HydrophobicContact CG2-CD2 4.13Å; I202-F204 HydrophobicContact CG2-CE2 3.46Å; I202-F204 VanDerWaalsContact CG2-CE2 3.46Å; I202-F204 HydrophobicContact CG2-CZ 3.92Å; F204-S206 VanDerWaalsContact C-N 3.29Å; F204-S206 PolarHBondContact O-N 2.74Å; F204-V222 HydrophobicContact CD1-CB 4.34Å; F204-V222 HydrophobicContact CD1-CG1 3.88Å; F204-V222 HydrophobicContact CD2-CG1 4.33Å; F204-V222 HydrophobicContact CE1-CB 3.79Å; F204-V222 HydrophobicContact CE1-CG1 3.78Å; F204-V222 HydrophobicContact CE1-CG2 3.98Å; F204-V222 HydrophobicContact CE2-CG1 4.22Å; F204-V222 HydrophobicContact CE2-CG2 4.27Å; F204-V222 HydrophobicContact CG-CG1 4.2Å; F204-V222 HydrophobicContact CZ-CB 3.97Å; F204-V222 HydrophobicContact CZ-CG1 3.98Å; F204-V222 HydrophobicContact CZ-CG2 3.65Å; F204-A224 HydrophobicContact CB-CB 4.23Å; F204-A224 HydrophobicContact CD1-CB 4.42Å; F204-Q229 HydrophobicContact CD1-CB 4.35Å; F204-Q229 HydrophobicContact CE1-CB 3.89Å; F204-F238 AromaticContact CE1-CE1 3.72Å; F204-F238 HydrophobicContact CE1-CE1 3.72Å; F204-F238 AromaticContact CZ-CE1 3.85Å; F204-F238 HydrophobicContact CZ-CE1 3.85Å
205	P	84.9	Confident	89	Confident	107 Å²	107	55.8 Å²	55.8	70%	0.695	29%	0.292	S	S	*	.	S	Bend	trans	-73.1	-18.1	-175.6	28	-35.5	0	0	0	114.1
206	S	88.2	Confident	89	Confident	53 Å²	53	54.2 Å²	54.2	37%	0.371	29%	0.289	S	S	.	.	S	Bend	trans	-136.7	164.7	-176	-163.6	0	0	0	0	111.7	G186 F204 V208	G186-S206 VanDerWaalsContact CA-O 3.24Å; G186-S206 WeakPolarHBondContact CA-O 3.34Å; F204-S206 VanDerWaalsContact C-N 3.29Å; F204-S206 PolarHBondContact O-N 2.74Å; S206-V208 PolarHBondContact O-N 3.25Å
207	A	89.3	Confident	89.4	Confident	36 Å²	36	49.5 Å²	49.5	30%	0.298	26%	0.258	S	S	.	.			trans	-56.5	129.9	-179.9	0	0	0	0	0	111.7	L184 S209 G225	L184-A207 HydrophobicContact CB-CB 4.48Å; L184-A207 HydrophobicContact CD2-CB 4.31Å; L184-A207 VanDerWaalsContact O-CA 3.31Å; L184-A207 WeakPolarHBondContact O-CA 3.39Å; L184-A207 WeakPolarHBondContact O-CB 3.17Å; A207-S209 PolarHBondContact O-N 2.85Å; A207-G225 PolarHBondContact O-N 3.37Å
208	V	90.4	Very high	89.6	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	114.8	178.6	-177.7	0	0	0	0	109.5	D183 V188 S206 L211 V222 A223	D183-V208 WeakPolarHBondContact O-CB 3.47Å; D183-V208 PolarHBondContact O-N 3.15Å; V188-V208 HydrophobicContact CG2-CG1 4.38Å; V188-V208 HydrophobicContact CG2-CG2 3.76Å; S206-V208 PolarHBondContact O-N 3.25Å; V208-L211 HydrophobicContact CG1-CD2 3.72Å; V208-L211 HydrophobicContact CG1-CG 3.97Å; V208-V222 HydrophobicContact CG1-CG1 3.88Å; V208-V222 HydrophobicContact CG2-CG1 3.91Å; V208-A223 WeakPolarHBondContact CA-O 3.48Å
209	S	89.7	Confident	89.9	Confident	9 Å²	9	47 Å²	47	6%	0.063	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	-36.9	-176.4	57.2	0	0	0	0	112.9	A207 A223 I254	A207-S209 PolarHBondContact O-N 2.85Å; S209-A223 PolarHBondContact N-O 3.36Å; S209-A223 WeakPolarHBondContact OG-CB 3.49Å; S209-A223 PolarHBondContact OG-O 2.56Å; S209-I254 WeakPolarHBondContact CB-O 3.38Å; S209-I254 PolarHBondContact OG-O 2.78Å
210	A	91.2	Very high	90.2	Very high	10 Å²	10	42.9 Å²	42.9	8%	0.083	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	153.3	-178.8	0	0	0	0	0	110.8	A223 L257	A210-A223 HydrophobicContact CB-CB 4.24Å; A210-A223 PolarHBondContact O-N 3.3Å; A210-L257 HydrophobicContact CB-CB 4.15Å; A210-L257 HydrophobicContact CB-CG 4.15Å
211	L	93.2	Very high	90.4	Very high	12 Å²	12	40.5 Å²	40.5	6%	0.063	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	150.6	178.1	-69.4	178.2	0	0	0	108.1	V170 C180 V188 V208 A221 V222	V170-L211 HydrophobicContact CB-CB 4.33Å; V170-L211 VanDerWaalsContact CG2-C 3.43Å; V170-L211 HydrophobicContact CG2-CB 3.5Å; V170-L211 WeakPolarHBondContact CG2-O 3.06Å; C180-L211 HydrophobicContact CB-CD1 4.26Å; V188-L211 HydrophobicContact CG1-CD1 4.46Å; V188-L211 HydrophobicContact CG2-CD2 4.26Å; V208-L211 HydrophobicContact CG1-CD2 3.72Å; V208-L211 HydrophobicContact CG1-CG 3.97Å; L211-A221 WeakPolarHBondContact CA-O 3.35Å; L211-V222 HydrophobicContact CD2-CB 3.97Å; L211-V222 HydrophobicContact CD2-CG1 3.8Å; L211-V222 HydrophobicContact CD2-CG2 3.63Å
212	A	92.8	Very high	90.5	Very high	7 Å²	7	32.7 Å²	32.7	6%	0.058	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	134.8	169.7	0	0	0	0	0	110.6	A221 L257 I259	A212-A221 PolarHBondContact N-O 2.89Å; A212-A221 PolarHBondContact O-N 2.91Å; A212-L257 HydrophobicContact CB-CB 4Å; A212-I259 HydrophobicContact CB-CD1 4.02Å; A212-I259 HydrophobicContact CB-CG1 3.98Å
213	L	93.4	Very high	90.7	Very high	3 Å²	3	32.1 Å²	32.1	2%	0.016	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	147.7	171.4	-78	173.5	0	0	0	110.5	V170 L178 L220 F233	V170-L213 HydrophobicContact CG1-CB 3.93Å; V170-L213 HydrophobicContact CG1-CD1 3.77Å; V170-L213 HydrophobicContact CG1-CG 3.72Å; L178-L213 HydrophobicContact CD2-CD1 3.73Å; L178-L213 HydrophobicContact CD2-CD2 4.36Å; L178-L213 HydrophobicContact CG-CD1 4.41Å; L213-L220 HydrophobicContact CD2-CB 3.85Å; L213-L220 HydrophobicContact CD2-CD1 3.45Å; L213-L220 VanDerWaalsContact CD2-CD1 3.45Å; L213-L220 HydrophobicContact CD2-CG 4.28Å; L213-L220 HydrophobicContact CG-CD1 3.8Å; L213-F233 HydrophobicContact CD2-CE2 3.66Å; L213-F233 HydrophobicContact CD2-CZ 4.22Å
214	N	91.4	Very high	90.7	Very high	3 Å²	3	24.5 Å²	24.5	2%	0.016	14%	0.143	C	C	.	.			trans	-69.9	165.8	171.9	-166.8	15.5	0	0	0	112.6	T216 D217 I219 E268 L284	N214-T216 PolarHBondContact ND2-OG1 3.47Å; N214-T216 PolarHBondContact O-N 2.89Å; N214-D217 PolarHBondContact O-N 2.87Å; N214-D217 VanDerWaalsContact O-N 3.09Å; N214-I219 HydrophobicContact CB-CB 4.22Å; N214-I219 WeakPolarHBondContact CB-O 3.16Å; N214-I219 PolarHBondContact N-O 2.73Å; N214-E268 PolarHBondContact ND2-OE1 3.11Å; N214-E268 VanDerWaalsContact ND2-OE1 3.13Å; N214-E268 PolarHBondContact ND2-OE2 3.28Å; N214-E268 PolarHBondContact OD1-OE1 3.4Å; N214-E268 PolarHBondContact OD1-OE2 2.73Å; N214-L284 HydrophobicContact CB-CD2 4.41Å
215	K	86.5	Confident	90.8	Very high	46 Å²	46	24.6 Å²	24.6	20%	0.2	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-27.2	178.2	-68.5	-164.5	-177.8	-163.9	0	114.2	V174 E260 Q261	V174-K215 WeakPolarHBondContact CG2-O 3.17Å; K215-E260 WeakPolarHBondContact CE-OE2 3.44Å; K215-E260 IonicContact NZ-OE2 3.66Å; K215-E260 PolarHBondContact NZ-OE2 3.45Å; K215-Q261 HydrophobicContact CD-CG 3.86Å; K215-Q261 VanDerWaalsContact NZ-CD 3.28Å
216	T	88.5	Confident	91.1	Very high	67 Å²	67	21.3 Å²	21.3	41%	0.411	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	0.2	178.4	57.9	0	0	0	0	113.3	N214 K218	N214-T216 PolarHBondContact ND2-OG1 3.47Å; N214-T216 PolarHBondContact O-N 2.89Å; T216-K218 PolarHBondContact O-N 2.9Å
217	D	89.6	Confident	91.3	Very high	14 Å²	14	19.7 Å²	19.7	8%	0.075	11%	0.114	C	C	.	.	S	Bend	trans	55	14.4	-171	-64.6	-22.7	0	0	0	115.4	G172 R173 V174 D175 L178 N214 F233	G172-D217 WeakPolarHBondContact CA-OD2 3.47Å; R173-D217 VanDerWaalsContact N-CG 3.28Å; R173-D217 PolarHBondContact N-OD1 3.04Å; R173-D217 PolarHBondContact N-OD2 3.04Å; V174-D217 WeakPolarHBondContact CA-OD2 3.46Å; V174-D217 PolarHBondContact N-OD2 3.4Å; D175-D217 PolarHBondContact N-OD2 2.95Å; L178-D217 HydrophobicContact CD2-CB 4.02Å; N214-D217 PolarHBondContact O-N 2.87Å; N214-D217 VanDerWaalsContact O-N 3.09Å; D217-F233 WeakPolarHBondContact O-CD2 3.22Å
218	K	90.9	Very high	91.5	Very high	120 Å²	120	18 Å²	18	52%	0.522	10%	0.099	S	C	.	.	S	Bend	trans	-79.2	-32.1	178.5	-66.3	-176.2	-179.6	-175.9	0	113.9	T216 D232 F233	T216-K218 PolarHBondContact O-N 2.9Å; K218-D232 VanDerWaalsContact O-OD1 3.11Å; K218-F233 VanDerWaalsContact O-CD2 3.29Å; K218-F233 WeakPolarHBondContact O-CD2 3.47Å; K218-F233 PolarHBondContact O-N 2.75Å
219	I	92.7	Very high	91.6	Very high	19 Å²	19	18.7 Å²	18.7	10%	0.097	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	130.9	-176.4	-57.9	173.8	0	0	0	109.3	N214 W231 L284	N214-I219 HydrophobicContact CB-CB 4.22Å; N214-I219 WeakPolarHBondContact CB-O 3.16Å; N214-I219 PolarHBondContact N-O 2.73Å; I219-W231 CarbonylContact C-O 3.58Å; I219-W231 WeakPolarHBondContact CA-O 3.5Å; I219-L284 HydrophobicContact CD1-CD2 4.5Å; I219-L284 HydrophobicContact CG2-CD1 4.42Å
220	L	93.2	Very high	91.7	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	117.4	171.4	178.1	81.5	0	0	0	109.4	C180 V188 L213 V222 S230 W231 F233	C180-L220 HydrophobicContact CB-CD1 3.92Å; V188-L220 HydrophobicContact CG1-CD2 4.02Å; L213-L220 HydrophobicContact CD2-CB 3.85Å; L213-L220 HydrophobicContact CD2-CD1 3.45Å; L213-L220 VanDerWaalsContact CD2-CD1 3.45Å; L213-L220 HydrophobicContact CD2-CG 4.28Å; L213-L220 HydrophobicContact CG-CD1 3.8Å; L220-V222 HydrophobicContact CD2-CG2 3.64Å; L220-V222 HydrophobicContact CG-CG2 3.92Å; L220-S230 CarbonylContact O-C 3.55Å; L220-S230 VanDerWaalsContact O-CA 3.27Å; L220-S230 WeakPolarHBondContact O-CA 3.24Å; L220-W231 HydrophobicContact CB-CB 4.36Å; L220-W231 PolarHBondContact N-O 3.49Å; L220-W231 PolarHBondContact O-N 3Å; L220-F233 HydrophobicContact CB-CE2 3.79Å; L220-F233 HydrophobicContact CB-CZ 4.04Å
221	A	93.3	Very high	91.7	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	130.1	167.7	0	0	0	0	0	110.7	L211 A212 V228 I259 L270	L211-A221 WeakPolarHBondContact CA-O 3.35Å; A212-A221 PolarHBondContact N-O 2.89Å; A212-A221 PolarHBondContact O-N 2.91Å; A221-V228 HydrophobicContact CB-CG1 4.18Å; A221-I259 HydrophobicContact CB-CD1 3.83Å; A221-L270 HydrophobicContact CB-CD1 3.86Å
222	V	93.4	Very high	91.6	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	121.7	-176.3	-178.4	0	0	0	0	109.1	V188 F204 V208 L211 L220 A224 V228 Q229	V188-V222 HydrophobicContact CG2-CG1 3.96Å; V188-V222 HydrophobicContact CG2-CG2 4.35Å; F204-V222 HydrophobicContact CD1-CB 4.34Å; F204-V222 HydrophobicContact CD1-CG1 3.88Å; F204-V222 HydrophobicContact CD2-CG1 4.33Å; F204-V222 HydrophobicContact CE1-CB 3.79Å; F204-V222 HydrophobicContact CE1-CG1 3.78Å; F204-V222 HydrophobicContact CE1-CG2 3.98Å; F204-V222 HydrophobicContact CE2-CG1 4.22Å; F204-V222 HydrophobicContact CE2-CG2 4.27Å; F204-V222 HydrophobicContact CG-CG1 4.2Å; F204-V222 HydrophobicContact CZ-CB 3.97Å; F204-V222 HydrophobicContact CZ-CG1 3.98Å; F204-V222 HydrophobicContact CZ-CG2 3.65Å; V208-V222 HydrophobicContact CG1-CG1 3.88Å; V208-V222 HydrophobicContact CG2-CG1 3.91Å; L211-V222 HydrophobicContact CD2-CB 3.97Å; L211-V222 HydrophobicContact CD2-CG1 3.8Å; L211-V222 HydrophobicContact CD2-CG2 3.63Å; L220-V222 HydrophobicContact CD2-CG2 3.64Å; L220-V222 HydrophobicContact CG-CG2 3.92Å; V222-A224 PolarHBondContact O-N 2.95Å; V222-V228 WeakPolarHBondContact O-CA 3.3Å; V222-Q229 PolarHBondContact N-O 3.25Å; V222-Q229 PolarHBondContact O-N 3.14Å
223	A	93.7	Very high	91.3	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	104.1	169.8	0	0	0	0	0	109.6	V208 S209 A210 I254 L257	V208-A223 WeakPolarHBondContact CA-O 3.48Å; S209-A223 PolarHBondContact N-O 3.36Å; S209-A223 WeakPolarHBondContact OG-CB 3.49Å; S209-A223 PolarHBondContact OG-O 2.56Å; A210-A223 HydrophobicContact CB-CB 4.24Å; A210-A223 PolarHBondContact O-N 3.3Å; A223-I254 HydrophobicContact CB-CB 3.87Å; A223-I254 HydrophobicContact CB-CD1 4.3Å; A223-I254 HydrophobicContact CB-CG2 3.85Å; A223-L257 HydrophobicContact CB-CD1 3.4Å; A223-L257 VanDerWaalsContact CB-CD1 3.4Å; A223-L257 HydrophobicContact CB-CG 3.82Å; A223-L257 VanDerWaalsContact N-CD1 3.34Å
224	A	90.5	Very high	90.8	Very high	3 Å²	3	25.4 Å²	25.4	3%	0.025	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	95.2	173.2	0	0	0	0	0	108.6	F204 V222 S226 V227	F204-A224 HydrophobicContact CB-CB 4.23Å; F204-A224 HydrophobicContact CD1-CB 4.42Å; V222-A224 PolarHBondContact O-N 2.95Å; A224-S226 PolarHBondContact O-N 2.73Å; A224-S226 VanDerWaalsContact O-N 3.09Å; A224-V227 PolarHBondContact N-O 2.94Å; A224-V227 PolarHBondContact O-N 3.4Å; A224-V227 VanDerWaalsContact O-N 3.16Å
225	G	89.8	Confident	90.5	Very high	7 Å²	7	28 Å²	28	7%	0.072	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.9	-109.5	-174.4	0	0	0	0	0	112.1	A207 V253 I254	A207-G225 PolarHBondContact O-N 3.37Å; G225-V253 CarbonylContact O-C 3.57Å; G225-V253 VanDerWaalsContact O-CA 3.32Å; G225-V253 WeakPolarHBondContact O-CA 3.44Å; G225-I254 PolarHBondContact O-N 3.45Å
226	S	91.6	Very high	90.5	Very high	39 Å²	39	31.9 Å²	31.9	27%	0.273	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-5.2	-179.3	69.9	0	0	0	0	114	A224 H250 K252	A224-S226 PolarHBondContact O-N 2.73Å; A224-S226 VanDerWaalsContact O-N 3.09Å; S226-H250 VanDerWaalsContact CB-O 3.3Å; S226-H250 WeakPolarHBondContact CB-O 3.29Å; S226-H250 PolarHBondContact O-N 3.3Å; S226-K252 WeakPolarHBondContact CB-O 3.4Å
227	V	92.9	Very high	90.4	Very high	19 Å²	19	35.5 Å²	35.5	12%	0.115	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	143.5	-177.3	-178.9	0	0	0	0	109.2	A224 Q229 D246 L247 H248	A224-V227 PolarHBondContact N-O 2.94Å; A224-V227 PolarHBondContact O-N 3.4Å; A224-V227 VanDerWaalsContact O-N 3.16Å; V227-Q229 HydrophobicContact CG1-CG 4.38Å; V227-D246 HydrophobicContact CG1-CB 3.64Å; V227-L247 WeakPolarHBondContact CA-O 3.32Å; V227-H248 WeakPolarHBondContact CG2-ND1 3.38Å
228	V	93.4	Very high	90.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	128.6	166.9	-173.9	0	0	0	0	109.5	A221 V222 L247 L249 I254 L257 L270	A221-V228 HydrophobicContact CB-CG1 4.18Å; V222-V228 WeakPolarHBondContact O-CA 3.3Å; V228-L247 HydrophobicContact CB-CB 4.26Å; V228-L247 PolarHBondContact N-O 3.37Å; V228-L247 WeakPolarHBondContact O-CB 3.16Å; V228-L247 PolarHBondContact O-N 3.33Å; V228-L249 HydrophobicContact CB-CD1 4.31Å; V228-L249 HydrophobicContact CG2-CD1 3.79Å; V228-L249 HydrophobicContact CG2-CG 4.44Å; V228-I254 HydrophobicContact CG2-CD1 3.35Å; V228-L257 HydrophobicContact CG1-CD1 4.26Å; V228-L257 HydrophobicContact CG2-CD1 4.41Å; V228-L257 HydrophobicContact CG2-CD2 3.94Å; V228-L270 HydrophobicContact CB-CD2 4.35Å; V228-L270 HydrophobicContact CG1-CD2 3.77Å; V228-L270 HydrophobicContact CG2-CD2 4.49Å
229	Q	92	Very high	90	Very high	15 Å²	15	33.8 Å²	33.8	7%	0.07	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	146.3	169.5	-72.6	179.7	-6	0	0	108.2	F204 V222 V227 D246	F204-Q229 HydrophobicContact CD1-CB 4.35Å; F204-Q229 HydrophobicContact CE1-CB 3.89Å; V222-Q229 PolarHBondContact N-O 3.25Å; V222-Q229 PolarHBondContact O-N 3.14Å; V227-Q229 HydrophobicContact CG1-CG 4.38Å; Q229-D246 VanDerWaalsContact CD-OD1 3.29Å; Q229-D246 VanDerWaalsContact CG-OD1 3.27Å; Q229-D246 WeakPolarHBondContact CG-OD1 3.45Å; Q229-D246 PolarHBondContact NE2-OD1 3.21Å; Q229-D246 PolarHBondContact NE2-OD2 3.42Å
230	S	91.9	Very high	89.6	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	141.5	171.6	50.2	0	0	0	0	110.9	L220 F238 H239 Y241	L220-S230 CarbonylContact O-C 3.55Å; L220-S230 VanDerWaalsContact O-CA 3.27Å; L220-S230 WeakPolarHBondContact O-CA 3.24Å; S230-F238 WeakPolarHBondContact O-CA 3.34Å; S230-H239 PolarHBondContact O-N 3.29Å; S230-H239 VanDerWaalsContact OG-CB 3.31Å; S230-H239 WeakPolarHBondContact OG-CB 3.44Å; S230-Y241 WeakPolarHBondContact CB-OH 3.33Å; S230-Y241 VanDerWaalsContact OG-CE2 3.25Å; S230-Y241 WeakPolarHBondContact OG-CE2 3.44Å; S230-Y241 PolarHBondContact OG-OH 2.9Å
231	W	91.7	Very high	88.9	Confident	16 Å²	16	38.3 Å²	38.3	6%	0.061	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	124.3	178.9	-179.8	-101.1	0	0	0	108.9	I202 I219 L220 Q236 K237 F238	I202-W231 HydrophobicContact CD1-CD2 3.6Å; I202-W231 VanDerWaalsContact CD1-CE2 3.42Å; I202-W231 HydrophobicContact CD1-CE3 4.21Å; I202-W231 HydrophobicContact CD1-CG 3.85Å; I202-W231 HydrophobicContact CD1-CH2 4.44Å; I202-W231 HydrophobicContact CD1-CZ2 3.89Å; I219-W231 CarbonylContact C-O 3.58Å; I219-W231 WeakPolarHBondContact CA-O 3.5Å; L220-W231 HydrophobicContact CB-CB 4.36Å; L220-W231 PolarHBondContact N-O 3.49Å; L220-W231 PolarHBondContact O-N 3Å; W231-Q236 WeakPolarHBondContact CH2-O 3.34Å; W231-Q236 HydrophobicContact CZ2-CB 4.12Å; W231-Q236 WeakPolarHBondContact CZ2-O 3.39Å; W231-K237 VanDerWaalsContact CE3-C 3.43Å; W231-F238 AromaticContact CE3-CD1 3.65Å; W231-F238 HydrophobicContact CE3-CD1 3.65Å; W231-F238 HydrophobicContact CE3-CD2 4.25Å; W231-F238 AromaticContact CE3-CE1 3.75Å; W231-F238 HydrophobicContact CE3-CE1 3.75Å; W231-F238 HydrophobicContact CE3-CE2 4.32Å; W231-F238 AromaticContact CE3-CG 3.91Å; W231-F238 HydrophobicContact CE3-CG 3.91Å; W231-F238 HydrophobicContact CE3-CZ 4.09Å; W231-F238 HydrophobicContact CZ3-CD1 4.12Å; W231-F238 AromaticContact CZ3-CD2 3.87Å; W231-F238 HydrophobicContact CZ3-CD2 3.87Å; W231-F238 HydrophobicContact CZ3-CE1 4.1Å; W231-F238 AromaticContact CZ3-CE2 3.85Å; W231-F238 HydrophobicContact CZ3-CE2 3.85Å; W231-F238 HydrophobicContact CZ3-CG 4Å; W231-F238 AromaticContact CZ3-CZ 3.96Å; W231-F238 HydrophobicContact CZ3-CZ 3.96Å
232	D	90.4	Very high	87.6	Confident	33 Å²	33	42 Å²	42	18%	0.176	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	121.5	172.5	179.3	19.7	0	0	0	109.9	K218 S234 A235 Q236 K237	K218-D232 VanDerWaalsContact O-OD1 3.11Å; D232-S234 VanDerWaalsContact C-N 3.28Å; D232-S234 PolarHBondContact O-N 3.01Å; D232-S234 WeakPolarHBondContact OD1-CB 3.39Å; D232-S234 PolarHBondContact OD1-N 3.07Å; D232-S234 PolarHBondContact OD1-OG 3.25Å; D232-A235 HydrophobicContact CB-CB 4.34Å; D232-A235 VanDerWaalsContact OD2-CB 3.25Å; D232-A235 WeakPolarHBondContact OD2-CB 3.32Å; D232-A235 PolarHBondContact OD2-N 3.39Å; D232-A235 VanDerWaalsContact OD2-N 3.08Å; D232-Q236 VanDerWaalsContact O-CA 3.29Å; D232-Q236 WeakPolarHBondContact O-CA 3.47Å; D232-Q236 PolarHBondContact O-N 3Å; D232-K237 PolarHBondContact N-O 2.97Å; D232-K237 PolarHBondContact O-N 3.27Å
233	F	86.4	Confident	86.4	Confident	46 Å²	46	49 Å²	49	20%	0.202	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-29.2	175.5	-70.3	-75.6	0	0	0	112.4	L178 I190 L213 D217 K218 L220	L178-F233 HydrophobicContact CD2-CE2 4.49Å; L178-F233 HydrophobicContact CD2-CZ 4.49Å; I190-F233 HydrophobicContact CD1-CD1 4.46Å; I190-F233 HydrophobicContact CD1-CE1 3.6Å; I190-F233 HydrophobicContact CD1-CZ 4.34Å; I190-F233 HydrophobicContact CG1-CE1 3.99Å; I190-F233 HydrophobicContact CG1-CZ 4.43Å; I190-F233 HydrophobicContact CG2-CE1 3.99Å; L213-F233 HydrophobicContact CD2-CE2 3.66Å; L213-F233 HydrophobicContact CD2-CZ 4.22Å; D217-F233 WeakPolarHBondContact O-CD2 3.22Å; K218-F233 VanDerWaalsContact O-CD2 3.29Å; K218-F233 WeakPolarHBondContact O-CD2 3.47Å; K218-F233 PolarHBondContact O-N 2.75Å; L220-F233 HydrophobicContact CB-CE2 3.79Å; L220-F233 HydrophobicContact CB-CZ 4.04Å
234	S	83.2	Confident	85.6	Confident	87 Å²	87	51.5 Å²	51.5	61%	0.608	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-48.2	-176	-49.2	0	0	0	0	110.6	D232	D232-S234 VanDerWaalsContact C-N 3.28Å; D232-S234 PolarHBondContact O-N 3.01Å; D232-S234 WeakPolarHBondContact OD1-CB 3.39Å; D232-S234 PolarHBondContact OD1-N 3.07Å; D232-S234 PolarHBondContact OD1-OG 3.25Å
235	A	85.4	Confident	85.2	Confident	56 Å²	56	55.2 Å²	55.2	46%	0.463	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-15.5	176.8	0	0	0	0	0	114	D232 K237	D232-A235 HydrophobicContact CB-CB 4.34Å; D232-A235 VanDerWaalsContact OD2-CB 3.25Å; D232-A235 WeakPolarHBondContact OD2-CB 3.32Å; D232-A235 PolarHBondContact OD2-N 3.39Å; D232-A235 VanDerWaalsContact OD2-N 3.08Å; A235-K237 HydrophobicContact CB-CB 4.33Å; A235-K237 PolarHBondContact O-N 2.99Å
236	Q	86.1	Confident	85	Confident	128 Å²	128	57.1 Å²	57.1	60%	0.598	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	48	43.5	-167.5	-65.7	-171.3	-15.3	0	0	112.3	W231 D232	W231-Q236 WeakPolarHBondContact CH2-O 3.34Å; W231-Q236 HydrophobicContact CZ2-CB 4.12Å; W231-Q236 WeakPolarHBondContact CZ2-O 3.39Å; D232-Q236 VanDerWaalsContact O-CA 3.29Å; D232-Q236 WeakPolarHBondContact O-CA 3.47Å; D232-Q236 PolarHBondContact O-N 3Å
237	K	87.2	Confident	84.9	Confident	144 Å²	144	56 Å²	56	63%	0.626	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.3	159.4	179.1	-70.8	-179.9	-175.4	179.7	0	109.7	W231 D232 A235	W231-K237 VanDerWaalsContact CE3-C 3.43Å; D232-K237 PolarHBondContact N-O 2.97Å; D232-K237 PolarHBondContact O-N 3.27Å; A235-K237 HydrophobicContact CB-CB 4.33Å; A235-K237 PolarHBondContact O-N 2.99Å
238	F	87.3	Confident	84.8	Confident	56 Å²	56	61.2 Å²	61.2	25%	0.246	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	136.3	167.4	-63.1	-75.8	0	0	0	108.8	I202 F204 S230 W231 Q245	I202-F238 HydrophobicContact CG2-CE1 4.34Å; I202-F238 HydrophobicContact CG2-CZ 3.97Å; F204-F238 AromaticContact CE1-CE1 3.72Å; F204-F238 HydrophobicContact CE1-CE1 3.72Å; F204-F238 AromaticContact CZ-CE1 3.85Å; F204-F238 HydrophobicContact CZ-CE1 3.85Å; S230-F238 WeakPolarHBondContact O-CA 3.34Å; W231-F238 AromaticContact CE3-CD1 3.65Å; W231-F238 HydrophobicContact CE3-CD1 3.65Å; W231-F238 HydrophobicContact CE3-CD2 4.25Å; W231-F238 AromaticContact CE3-CE1 3.75Å; W231-F238 HydrophobicContact CE3-CE1 3.75Å; W231-F238 HydrophobicContact CE3-CE2 4.32Å; W231-F238 AromaticContact CE3-CG 3.91Å; W231-F238 HydrophobicContact CE3-CG 3.91Å; W231-F238 HydrophobicContact CE3-CZ 4.09Å; W231-F238 HydrophobicContact CZ3-CD1 4.12Å; W231-F238 AromaticContact CZ3-CD2 3.87Å; W231-F238 HydrophobicContact CZ3-CD2 3.87Å; W231-F238 HydrophobicContact CZ3-CE1 4.1Å; W231-F238 AromaticContact CZ3-CE2 3.85Å; W231-F238 HydrophobicContact CZ3-CE2 3.85Å; W231-F238 HydrophobicContact CZ3-CG 4Å; W231-F238 AromaticContact CZ3-CZ 3.96Å; W231-F238 HydrophobicContact CZ3-CZ 3.96Å; F238-Q245 HydrophobicContact CB-CB 4.35Å; F238-Q245 HydrophobicContact CB-CG 4.05Å
239	H	85	Confident	84.5	Confident	42 Å²	42	61.6 Å²	61.6	19%	0.194	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-78.9	126.7	178.6	169.7	93.9	0	0	0	109.2	S230 Y241 L285	S230-H239 PolarHBondContact O-N 3.29Å; S230-H239 VanDerWaalsContact OG-CB 3.31Å; S230-H239 WeakPolarHBondContact OG-CB 3.44Å; H239-Y241 AromaticContact CD2-CD1 3.92Å; H239-Y241 AromaticContact CD2-CE1 3.75Å; H239-Y241 AromaticContact CD2-CZ 3.96Å; H239-L285 PolarHBondContact NE2-O 3.28Å
240	D	82.7	Confident	84.6	Confident	101 Å²	101	61.4 Å²	61.4	54%	0.54	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-87.3	121	-175.3	-67.5	-31.2	0	0	0	110.3	G242 Q245	D240-G242 PolarHBondContact O-N 3.05Å; D240-Q245 WeakPolarHBondContact OD1-CG 3.42Å; D240-Q245 PolarHBondContact OD1-NE2 3.45Å
241	Y	78.6	Confident	84.6	Confident	13 Å²	13	69.1 Å²	69.1	5%	0.051	38%	0.375	C	S	.	.			trans	-86.2	28.9	175.9	-61.1	-80.2	0	0	0	112.9	S230 H239 T243 S244 L247 L284 G287	S230-Y241 WeakPolarHBondContact CB-OH 3.33Å; S230-Y241 VanDerWaalsContact OG-CE2 3.25Å; S230-Y241 WeakPolarHBondContact OG-CE2 3.44Å; S230-Y241 PolarHBondContact OG-OH 2.9Å; H239-Y241 AromaticContact CD2-CD1 3.92Å; H239-Y241 AromaticContact CD2-CE1 3.75Å; H239-Y241 AromaticContact CD2-CZ 3.96Å; Y241-T243 PolarHBondContact O-N 3.09Å; Y241-S244 WeakPolarHBondContact CB-O 3.44Å; Y241-S244 PolarHBondContact N-O 3.48Å; Y241-L247 HydrophobicContact CD1-CD1 4.15Å; Y241-L247 HydrophobicContact CD1-CD2 4.1Å; Y241-L247 HydrophobicContact CD1-CG 4.38Å; Y241-L247 HydrophobicContact CD2-CD1 4.03Å; Y241-L247 HydrophobicContact CD2-CD2 3.63Å; Y241-L247 HydrophobicContact CD2-CG 3.55Å; Y241-L247 HydrophobicContact CE1-CD1 3.65Å; Y241-L247 HydrophobicContact CE1-CD2 4.43Å; Y241-L247 HydrophobicContact CE1-CG 4.25Å; Y241-L247 HydrophobicContact CE2-CD1 3.56Å; Y241-L247 HydrophobicContact CE2-CD2 4.05Å; Y241-L247 HydrophobicContact CE2-CG 3.45Å; Y241-L247 VanDerWaalsContact CE2-CG 3.45Å; Y241-L247 HydrophobicContact CG-CD1 4.28Å; Y241-L247 HydrophobicContact CG-CD2 3.63Å; Y241-L247 HydrophobicContact CG-CG 4.01Å; Y241-L284 WeakPolarHBondContact CE1-O 3.46Å; Y241-G287 VanDerWaalsContact CD1-CA 3.46Å
242	G	67.3	Low	84.7	Confident	78 Å²	78	73.2 Å²	73.2	80%	0.804	39%	0.393	S	S	*	.	S	Bend	trans	76.8	-42.6	-179.4	0	0	0	0	0	115.8	D240	D240-G242 PolarHBondContact O-N 3.05Å
243	T	66.9	Low	84.8	Confident	145 Å²	145	75 Å²	75	89%	0.89	40%	0.404	S	S	*	.	S	Bend	trans	-97.9	-41.7	178.3	54.4	0	0	0	0	113.1	Y241	Y241-T243 PolarHBondContact O-N 3.09Å
244	S	77.3	Confident	85.2	Confident	54 Å²	54	72.8 Å²	72.8	38%	0.378	40%	0.395	S	S	.	.			trans	-152.9	156.9	-179.5	-175.6	0	0	0	0	109.9	Y241 D246	Y241-S244 WeakPolarHBondContact CB-O 3.44Å; Y241-S244 PolarHBondContact N-O 3.48Å; S244-D246 PolarHBondContact OG-N 2.74Å; S244-D246 VanDerWaalsContact OG-N 3.12Å
245	Q	81.7	Confident	85.7	Confident	81 Å²	81	69.4 Å²	69.4	38%	0.379	37%	0.371	S	S	.	.	S	Bend	trans	-70.2	-22	167.2	-72.9	172	0.9	0	0	111.8	F238 D240	F238-Q245 HydrophobicContact CB-CB 4.35Å; F238-Q245 HydrophobicContact CB-CG 4.05Å; D240-Q245 WeakPolarHBondContact OD1-CG 3.42Å; D240-Q245 PolarHBondContact OD1-NE2 3.45Å
246	D	86.6	Confident	86	Confident	47 Å²	47	67.2 Å²	67.2	25%	0.251	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	116.2	-172.1	-71.9	9.2	0	0	0	111.2	V227 Q229 S244 H248	V227-D246 HydrophobicContact CG1-CB 3.64Å; Q229-D246 VanDerWaalsContact CD-OD1 3.29Å; Q229-D246 VanDerWaalsContact CG-OD1 3.27Å; Q229-D246 WeakPolarHBondContact CG-OD1 3.45Å; Q229-D246 PolarHBondContact NE2-OD1 3.21Å; Q229-D246 PolarHBondContact NE2-OD2 3.42Å; S244-D246 PolarHBondContact OG-N 2.74Å; S244-D246 VanDerWaalsContact OG-N 3.12Å; D246-H248 PolarHBondContact O-N 2.95Å
247	L	88.5	Confident	86.3	Confident	15 Å²	15	61.7 Å²	61.7	8%	0.079	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	103.6	171.3	-63.1	179.7	0	0	0	110.9	V227 V228 Y241 L249 L270	V227-L247 WeakPolarHBondContact CA-O 3.32Å; V228-L247 HydrophobicContact CB-CB 4.26Å; V228-L247 PolarHBondContact N-O 3.37Å; V228-L247 WeakPolarHBondContact O-CB 3.16Å; V228-L247 PolarHBondContact O-N 3.33Å; Y241-L247 HydrophobicContact CD1-CD1 4.15Å; Y241-L247 HydrophobicContact CD1-CD2 4.1Å; Y241-L247 HydrophobicContact CD1-CG 4.38Å; Y241-L247 HydrophobicContact CD2-CD1 4.03Å; Y241-L247 HydrophobicContact CD2-CD2 3.63Å; Y241-L247 HydrophobicContact CD2-CG 3.55Å; Y241-L247 HydrophobicContact CE1-CD1 3.65Å; Y241-L247 HydrophobicContact CE1-CD2 4.43Å; Y241-L247 HydrophobicContact CE1-CG 4.25Å; Y241-L247 HydrophobicContact CE2-CD1 3.56Å; Y241-L247 HydrophobicContact CE2-CD2 4.05Å; Y241-L247 HydrophobicContact CE2-CG 3.45Å; Y241-L247 VanDerWaalsContact CE2-CG 3.45Å; Y241-L247 HydrophobicContact CG-CD1 4.28Å; Y241-L247 HydrophobicContact CG-CD2 3.63Å; Y241-L247 HydrophobicContact CG-CG 4.01Å; L247-L249 VanDerWaalsContact C-N 3.25Å; L247-L249 HydrophobicContact CB-CD2 4.09Å; L247-L249 HydrophobicContact CB-CG 3.97Å; L247-L249 PolarHBondContact O-N 3.13Å; L247-L270 HydrophobicContact CD1-CD2 4.46Å
248	H	90.4	Very high	86.6	Confident	129 Å²	129	57.3 Å²	57.3	60%	0.597	31%	0.309	S	S	*	.			trans	-78.6	70.5	172.9	-69.9	-85	0	0	0	111.7	V227 D246	V227-H248 WeakPolarHBondContact CG2-ND1 3.38Å; D246-H248 PolarHBondContact O-N 2.95Å
249	L	88.1	Confident	87	Confident	7 Å²	7	54.7 Å²	54.7	4%	0.037	30%	0.297	C	S	.	.			trans	-76	-40.3	-177.8	-58.5	-176.2	0	0	0	112.2	V228 L247 L270 S272 K280 T282 E289	V228-L249 HydrophobicContact CB-CD1 4.31Å; V228-L249 HydrophobicContact CG2-CD1 3.79Å; V228-L249 HydrophobicContact CG2-CG 4.44Å; L247-L249 VanDerWaalsContact C-N 3.25Å; L247-L249 HydrophobicContact CB-CD2 4.09Å; L247-L249 HydrophobicContact CB-CG 3.97Å; L247-L249 PolarHBondContact O-N 3.13Å; L249-L270 HydrophobicContact CD1-CD2 4.22Å; L249-S272 WeakPolarHBondContact CD1-OG 3.18Å; L249-K280 HydrophobicContact CB-CD 4.15Å; L249-K280 WeakPolarHBondContact O-CD 3.12Å; L249-K280 WeakPolarHBondContact O-CE 3.32Å; L249-K280 PolarHBondContact O-NZ 2.67Å; L249-T282 HydrophobicContact CD1-CG2 3.92Å; L249-T282 HydrophobicContact CD2-CG2 3.38Å; L249-T282 HydrophobicContact CG-CG2 4.29Å; L249-E289 HydrophobicContact CD2-CG 4.27Å
250	H	93.7	Very high	87.3	Confident	12 Å²	12	53 Å²	53	6%	0.056	29%	0.29	C	S	.	.			trans	-126.3	159.3	-171.4	-67.4	-83.5	0	0	0	111.9	S226 K252 I254 S272 S274 D276	S226-H250 VanDerWaalsContact CB-O 3.3Å; S226-H250 WeakPolarHBondContact CB-O 3.29Å; S226-H250 PolarHBondContact O-N 3.3Å; H250-K252 WeakPolarHBondContact CB-O 3.39Å; H250-I254 HydrophobicContact CB-CG1 4.12Å; H250-S272 WeakPolarHBondContact NE2-CB 3.27Å; H250-S272 PolarHBondContact NE2-OG 2.86Å; H250-S274 WeakPolarHBondContact ND1-CB 3.4Å; H250-D276 WeakPolarHBondContact CB-OD2 3.45Å; H250-D276 IonicContact CE1-OD1 2.74Å; H250-D276 IonicContact CE1-OD2 3.42Å; H250-D276 IonicContact CG-OD2 2.92Å; H250-D276 IonicContact ND1-OD1 3.31Å; H250-D276 PolarHBondContact ND1-OD1 3.16Å; H250-D276 IonicContact ND1-OD2 3.33Å; H250-D276 PolarHBondContact ND1-OD2 2.94Å
251	Y	92	Very high	87.6	Confident	162 Å²	162	50.8 Å²	50.8	64%	0.635	28%	0.276	S	S	*	.	S	Bend	trans	-99.9	-4.2	173.6	63	-91.7	0	0	0	112.8	D276 L278	Y251-D276 HydrophobicContact CD1-CB 4Å; Y251-D276 HydrophobicContact CD2-CB 4.27Å; Y251-D276 HydrophobicContact CE1-CB 3.38Å; Y251-D276 HydrophobicContact CE2-CB 3.69Å; Y251-D276 HydrophobicContact CG-CB 4.41Å; Y251-D276 WeakPolarHBondContact OH-CB 3.08Å; Y251-D276 PolarHBondContact OH-O 2.99Å; Y251-L278 HydrophobicContact CE1-CD1 4.17Å
252	K	94.3	Very high	87.9	Confident	102 Å²	102	51 Å²	51	44%	0.443	28%	0.277	S	S	.	.	S	Bend	trans	-127.5	167.1	171.9	-73.6	-171.3	179.6	-176.7	0	110.4	S226 H250 I254 S274 L275 D276	S226-K252 WeakPolarHBondContact CB-O 3.4Å; H250-K252 WeakPolarHBondContact CB-O 3.39Å; K252-I254 PolarHBondContact O-N 3.01Å; K252-S274 VanDerWaalsContact C-OG 3.29Å; K252-S274 PolarHBondContact O-OG 2.75Å; K252-L275 HydrophobicContact CB-CB 4.22Å; K252-L275 HydrophobicContact CD-CB 4.08Å; K252-D276 HydrophobicContact CB-CB 4.12Å; K252-D276 HydrophobicContact CD-CB 4.35Å; K252-D276 HydrophobicContact CG-CB 4.33Å
253	V	93	Very high	88.5	Confident	69 Å²	69	48.3 Å²	48.3	42%	0.418	25%	0.246	S	C	.	.			trans	-54	124	180	-175.3	0	0	0	0	111.2	G225 S274 L275	G225-V253 CarbonylContact O-C 3.57Å; G225-V253 VanDerWaalsContact O-CA 3.32Å; G225-V253 WeakPolarHBondContact O-CA 3.44Å; V253-S274 PolarHBondContact O-OG 2.79Å; V253-L275 PolarHBondContact O-N 3.24Å
254	I	94.8	Very high	89.1	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	129.3	171.4	-59.8	173	0	0	0	107.1	S209 A223 G225 V228 H250 K252 G256 L257 V273	S209-I254 WeakPolarHBondContact CB-O 3.38Å; S209-I254 PolarHBondContact OG-O 2.78Å; A223-I254 HydrophobicContact CB-CB 3.87Å; A223-I254 HydrophobicContact CB-CD1 4.3Å; A223-I254 HydrophobicContact CB-CG2 3.85Å; G225-I254 PolarHBondContact O-N 3.45Å; V228-I254 HydrophobicContact CG2-CD1 3.35Å; H250-I254 HydrophobicContact CB-CG1 4.12Å; K252-I254 PolarHBondContact O-N 3.01Å; I254-G256 WeakPolarHBondContact CG2-O 3.44Å; I254-L257 HydrophobicContact CG2-CD2 3.81Å; I254-L257 HydrophobicContact CG2-CG 3.99Å; I254-V273 CarbonylContact C-O 3.57Å; I254-V273 WeakPolarHBondContact CA-O 3.27Å; I254-V273 WeakPolarHBondContact CG2-O 3.29Å
255	T	92.5	Very high	89.1	Confident	17 Å²	17	46 Å²	46	10%	0.104	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	-25.4	-174.4	57.5	0	0	0	0	112.7	V273 L275 L299 T300	T255-V273 PolarHBondContact N-O 2.94Å; T255-V273 PolarHBondContact OG1-O 2.93Å; T255-V273 VanDerWaalsContact OG1-O 3.12Å; T255-L275 HydrophobicContact CG2-CD1 4.35Å; T255-L275 HydrophobicContact CG2-CD2 3.79Å; T255-L275 HydrophobicContact CG2-CG 3.64Å; T255-L299 PolarHBondContact OG1-O 3.34Å; T255-T300 WeakPolarHBondContact CB-O 3.49Å; T255-T300 VanDerWaalsContact OG1-C 3.31Å; T255-T300 WeakPolarHBondContact OG1-CA 3.3Å; T255-T300 PolarHBondContact OG1-O 2.8Å
256	G	91.3	Very high	89	Confident	9 Å²	9	49 Å²	49	9%	0.093	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	141.3	176.6	0	0	0	0	0	110.6	I254 V273	I254-G256 WeakPolarHBondContact CG2-O 3.44Å; G256-V273 PolarHBondContact N-O 2.76Å; G256-V273 PolarHBondContact O-N 3.04Å
257	L	93.7	Very high	88.9	Confident	12 Å²	12	51 Å²	51	6%	0.063	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	144.3	171.8	-76.4	-177.5	0	0	0	108.9	A210 A212 A223 V228 I254 L270 L271	A210-L257 HydrophobicContact CB-CB 4.15Å; A210-L257 HydrophobicContact CB-CG 4.15Å; A212-L257 HydrophobicContact CB-CB 4Å; A223-L257 HydrophobicContact CB-CD1 3.4Å; A223-L257 VanDerWaalsContact CB-CD1 3.4Å; A223-L257 HydrophobicContact CB-CG 3.82Å; A223-L257 VanDerWaalsContact N-CD1 3.34Å; V228-L257 HydrophobicContact CG1-CD1 4.26Å; V228-L257 HydrophobicContact CG2-CD1 4.41Å; V228-L257 HydrophobicContact CG2-CD2 3.94Å; I254-L257 HydrophobicContact CG2-CD2 3.81Å; I254-L257 HydrophobicContact CG2-CG 3.99Å; L257-L270 HydrophobicContact CD2-CD1 4.17Å; L257-L271 CarbonylContact C-O 3.54Å; L257-L271 WeakPolarHBondContact CA-O 3.34Å
258	F	93.5	Very high	89	Confident	53 Å²	53	51.7 Å²	51.7	23%	0.232	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	140.6	173.5	-152.4	-103.2	0	0	0	109.9	E260 L271 I302 V304	F258-E260 HydrophobicContact CD1-CG 3.66Å; F258-E260 HydrophobicContact CE1-CG 3.38Å; F258-L271 HydrophobicContact CB-CB 4.38Å; F258-L271 PolarHBondContact N-O 3.02Å; F258-L271 WeakPolarHBondContact O-CB 3.43Å; F258-L271 PolarHBondContact O-N 2.89Å; F258-I302 HydrophobicContact CB-CG2 4.09Å; F258-V304 HydrophobicContact CD1-CB 3.69Å; F258-V304 HydrophobicContact CD1-CG2 4.08Å; F258-V304 HydrophobicContact CE1-CB 3.81Å; F258-V304 WeakPolarHBondContact CE1-O 3.02Å
259	I	94.5	Very high	89	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	127.9	175.3	-63.7	167.4	0	0	0	108	R173 A212 A221 E268 V269 L270 L284	R173-I259 PolarHBondContact NH2-O 2.8Å; A212-I259 HydrophobicContact CB-CD1 4.02Å; A212-I259 HydrophobicContact CB-CG1 3.98Å; A221-I259 HydrophobicContact CB-CD1 3.83Å; I259-E268 HydrophobicContact CG2-CB 4.36Å; I259-V269 WeakPolarHBondContact CA-O 3.45Å; I259-L270 HydrophobicContact CD1-CD1 4.28Å; I259-L270 HydrophobicContact CG1-CD1 3.63Å; I259-L284 HydrophobicContact CD1-CD1 4.28Å; I259-L284 HydrophobicContact CD1-CD2 4.22Å; I259-L284 HydrophobicContact CG2-CD2 4.11Å
260	E	91.6	Very high	89.3	Confident	7 Å²	7	45.2 Å²	45.2	3%	0.033	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	162.7	173.5	-85.1	-57.8	146.1	0	0	112	R173 K215 F258 V269 V304	R173-E260 IonicContact CZ-OE1 3.72Å; R173-E260 IonicContact NH1-OE1 3.6Å; R173-E260 PolarHBondContact NH1-OE1 2.87Å; R173-E260 IonicContact NH2-OE1 2.94Å; R173-E260 PolarHBondContact NH2-OE1 2.99Å; K215-E260 WeakPolarHBondContact CE-OE2 3.44Å; K215-E260 IonicContact NZ-OE2 3.66Å; K215-E260 PolarHBondContact NZ-OE2 3.45Å; F258-E260 HydrophobicContact CD1-CG 3.66Å; F258-E260 HydrophobicContact CE1-CG 3.38Å; E260-V269 PolarHBondContact N-O 3.39Å; E260-V269 PolarHBondContact O-N 2.84Å; E260-V304 HydrophobicContact CB-CG1 4.42Å; E260-V304 HydrophobicContact CG-CB 4.35Å; E260-V304 HydrophobicContact CG-CG1 4.13Å
261	Q	89.5	Confident	89.3	Confident	54 Å²	54	44.7 Å²	44.7	25%	0.252	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	140.7	172.3	-80.3	165.3	-23.6	0	0	110.4	K215 E268 K307 C308	K215-Q261 HydrophobicContact CD-CG 3.86Å; K215-Q261 VanDerWaalsContact NZ-CD 3.28Å; Q261-E268 HydrophobicContact CG-CG 4.4Å; Q261-K307 CarbonylContact O-C 3.58Å; Q261-K307 WeakPolarHBondContact O-CA 3.44Å; Q261-C308 PolarHBondContact O-SG 3.19Å
262	H	85.8	Confident	89.4	Confident	18 Å²	18	37 Å²	37	8%	0.083	19%	0.191	C	C	.	.			trans	-55.6	146.4	168.6	-169.9	-81.2	0	0	0	109.8	W22 I264 T265 E267 V269	W22-H262 AromaticContact CZ2-CD2 3.55Å; W22-H262 AromaticContact CZ2-NE2 3.85Å; W22-H262 AromaticContact NE1-NE2 3.85Å; H262-I264 VanDerWaalsContact C-N 3.35Å; H262-I264 PolarHBondContact ND1-N 3.33Å; H262-I264 VanDerWaalsContact ND1-N 3.17Å; H262-I264 PolarHBondContact O-N 3.21Å; H262-T265 CarbonylContact C-O 3.42Å; H262-T265 WeakPolarHBondContact CB-O 3.09Å; H262-T265 WeakPolarHBondContact CB-OG1 3.47Å; H262-T265 PolarHBondContact ND1-N 3.37Å; H262-T265 VanDerWaalsContact ND1-N 3.19Å; H262-T265 PolarHBondContact ND1-OG1 3.41Å; H262-T265 VanDerWaalsContact ND1-OG1 3.15Å; H262-T265 VanDerWaalsContact O-O 3.06Å; H262-E267 WeakPolarHBondContact CB-O 3.44Å; H262-E267 PolarHBondContact N-O 2.8Å; H262-V269 HydrophobicContact CB-CG2 3.68Å
263	P	79.1	Confident	89.5	Confident	21 Å²	21	32.1 Å²	32.1	14%	0.136	17%	0.17	C	C	.	.	S	Bend	trans	-66.6	-33.2	-176.5	23.9	-36.8	0	0	0	114.1	V21 K307 Y325	V21-P263 HydrophobicContact CG1-CB 4.46Å; V21-P263 HydrophobicContact CG1-CG 3.34Å; P263-K307 WeakPolarHBondContact CA-O 3.49Å; P263-K307 VanDerWaalsContact CB-O 3.3Å; P263-K307 WeakPolarHBondContact CB-O 3.39Å; P263-Y325 HydrophobicContact CB-CD1 3.79Å; P263-Y325 HydrophobicContact CB-CE1 3.56Å; P263-Y325 HydrophobicContact CB-CG 4.38Å; P263-Y325 HydrophobicContact CG-CE1 4.24Å; P263-Y325 HydrophobicContact CG-CE2 4.37Å
264	I	79.1	Confident	89.6	Confident	95 Å²	95	28.8 Å²	28.8	49%	0.487	15%	0.15	S	C	.	.	S	Bend	trans	-104.1	-58.7	-176.7	-53.7	-178	0	0	0	111.7	V21 H262 Y325 D330	V21-I264 HydrophobicContact CB-CD1 4.43Å; V21-I264 HydrophobicContact CG1-CD1 4.08Å; V21-I264 HydrophobicContact CG1-CG1 4.25Å; V21-I264 HydrophobicContact CG2-CD1 3.43Å; V21-I264 VanDerWaalsContact CG2-CD1 3.43Å; V21-I264 HydrophobicContact CG2-CG1 4.27Å; H262-I264 VanDerWaalsContact C-N 3.35Å; H262-I264 PolarHBondContact ND1-N 3.33Å; H262-I264 VanDerWaalsContact ND1-N 3.17Å; H262-I264 PolarHBondContact O-N 3.21Å; I264-Y325 WeakPolarHBondContact CD1-OH 3.43Å; I264-Y325 WeakPolarHBondContact CG1-OH 3.31Å; I264-D330 VanDerWaalsContact CD1-OD2 3.23Å; I264-D330 WeakPolarHBondContact CD1-OD2 3.35Å
265	T	77.4	Confident	89.6	Confident	57 Å²	57	31.1 Å²	31.1	35%	0.35	16%	0.162	S	C	.	.	S	Bend	trans	-75.6	156.3	175.4	63.4	0	0	0	0	112.1	H262 E267	H262-T265 CarbonylContact C-O 3.42Å; H262-T265 WeakPolarHBondContact CB-O 3.09Å; H262-T265 WeakPolarHBondContact CB-OG1 3.47Å; H262-T265 PolarHBondContact ND1-N 3.37Å; H262-T265 VanDerWaalsContact ND1-N 3.19Å; H262-T265 PolarHBondContact ND1-OG1 3.41Å; H262-T265 VanDerWaalsContact ND1-OG1 3.15Å; H262-T265 VanDerWaalsContact O-O 3.06Å; T265-E267 PolarHBondContact O-N 2.88Å
266	D	78.9	Confident	89.8	Confident	143 Å²	143	30.5 Å²	30.5	77%	0.765	16%	0.159	S	C	*	.	S	Bend	trans	-81.3	11.8	172.4	-78	-33.6	0	0	0	112.9
267	E	85.6	Confident	89.9	Confident	88 Å²	88	34 Å²	34	41%	0.411	17%	0.171	S	C	.	.			trans	-73.8	148.2	177.1	-65.6	-175.1	-175.5	0	0	111.8	H262 T265	H262-E267 WeakPolarHBondContact CB-O 3.44Å; H262-E267 PolarHBondContact N-O 2.8Å; T265-E267 PolarHBondContact O-N 2.88Å
268	E	89.8	Confident	90	Very high	31 Å²	31	34 Å²	34	15%	0.145	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	128.1	175.4	-69.5	163.7	163.5	0	0	110.2	N214 I259 Q261 L284	N214-E268 PolarHBondContact ND2-OE1 3.11Å; N214-E268 VanDerWaalsContact ND2-OE1 3.13Å; N214-E268 PolarHBondContact ND2-OE2 3.28Å; N214-E268 PolarHBondContact OD1-OE1 3.4Å; N214-E268 PolarHBondContact OD1-OE2 2.73Å; I259-E268 HydrophobicContact CG2-CB 4.36Å; Q261-E268 HydrophobicContact CG-CG 4.4Å; E268-L284 HydrophobicContact CB-CB 4.16Å; E268-L284 HydrophobicContact CB-CD2 4.05Å; E268-L284 VanDerWaalsContact O-CB 3.31Å; E268-L284 WeakPolarHBondContact O-CB 3.41Å; E268-L284 PolarHBondContact O-N 3.3Å
269	V	91.5	Very high	90	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	126.2	-177.3	-176.7	0	0	0	0	108.3	W22 I259 E260 H262 L271 F281 T282 L290	W22-V269 HydrophobicContact CH2-CG1 4.41Å; W22-V269 HydrophobicContact CZ2-CG1 4.22Å; W22-V269 HydrophobicContact CZ2-CG2 4.23Å; I259-V269 WeakPolarHBondContact CA-O 3.45Å; E260-V269 PolarHBondContact N-O 3.39Å; E260-V269 PolarHBondContact O-N 2.84Å; H262-V269 HydrophobicContact CB-CG2 3.68Å; V269-L271 HydrophobicContact CG1-CD2 3.8Å; V269-F281 HydrophobicContact CG1-CB 4.13Å; V269-F281 HydrophobicContact CG1-CD1 4.36Å; V269-T282 WeakPolarHBondContact CA-O 3.1Å; V269-L290 HydrophobicContact CG1-CD1 4.29Å; V269-L290 HydrophobicContact CG2-CD1 4.06Å
270	L	93.4	Very high	89.9	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	128.2	169.9	174.4	72.9	0	0	0	109.2	A221 V228 L247 L249 L257 I259 T282 L284	A221-L270 HydrophobicContact CB-CD1 3.86Å; V228-L270 HydrophobicContact CB-CD2 4.35Å; V228-L270 HydrophobicContact CG1-CD2 3.77Å; V228-L270 HydrophobicContact CG2-CD2 4.49Å; L247-L270 HydrophobicContact CD1-CD2 4.46Å; L249-L270 HydrophobicContact CD1-CD2 4.22Å; L257-L270 HydrophobicContact CD2-CD1 4.17Å; I259-L270 HydrophobicContact CD1-CD1 4.28Å; I259-L270 HydrophobicContact CG1-CD1 3.63Å; L270-T282 WeakPolarHBondContact CB-OG1 3.22Å; L270-T282 PolarHBondContact N-O 3.4Å; L270-T282 PolarHBondContact O-N 2.88Å; L270-T282 PolarHBondContact O-OG1 3.02Å; L270-L284 HydrophobicContact CB-CD1 4.45Å
271	L	94	Very high	90	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	119.3	179	-55.8	179.6	0	0	0	109	L257 F258 V269 K280 F281 I302 V304 L311	L257-L271 CarbonylContact C-O 3.54Å; L257-L271 WeakPolarHBondContact CA-O 3.34Å; F258-L271 HydrophobicContact CB-CB 4.38Å; F258-L271 PolarHBondContact N-O 3.02Å; F258-L271 WeakPolarHBondContact O-CB 3.43Å; F258-L271 PolarHBondContact O-N 2.89Å; V269-L271 HydrophobicContact CG1-CD2 3.8Å; L271-K280 WeakPolarHBondContact CA-O 3.15Å; L271-F281 HydrophobicContact CD1-CE1 4.41Å; L271-F281 HydrophobicContact CD2-CB 4.07Å; L271-F281 HydrophobicContact CD2-CD1 2.96Å; L271-F281 HydrophobicContact CD2-CD2 4.41Å; L271-F281 HydrophobicContact CD2-CE1 3.24Å; L271-F281 HydrophobicContact CD2-CG 3.59Å; L271-F281 HydrophobicContact CD2-CZ 4.11Å; L271-F281 HydrophobicContact CG-CD1 4.41Å; L271-F281 HydrophobicContact CG-CE1 4.47Å; L271-I302 HydrophobicContact CB-CD1 3.91Å; L271-I302 HydrophobicContact CD1-CD1 4.34Å; L271-V304 HydrophobicContact CD1-CB 4.12Å; L271-V304 HydrophobicContact CD1-CG1 4.14Å; L271-V304 HydrophobicContact CD1-CG2 3.35Å; L271-L311 HydrophobicContact CD1-CD2 4.05Å
272	S	95.1	Very high	90	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	137.8	-178.4	50.1	0	0	0	0	110.9	L249 H250 V279 K280	L249-S272 WeakPolarHBondContact CD1-OG 3.18Å; H250-S272 WeakPolarHBondContact NE2-CB 3.27Å; H250-S272 PolarHBondContact NE2-OG 2.86Å; S272-V279 CarbonylContact O-C 3.51Å; S272-V279 VanDerWaalsContact O-CA 3.26Å; S272-V279 WeakPolarHBondContact O-CA 3.46Å; S272-K280 PolarHBondContact N-O 2.94Å; S272-K280 PolarHBondContact O-N 2.95Å; S272-K280 WeakPolarHBondContact OG-CB 3.49Å; S272-K280 PolarHBondContact OG-O 3.06Å
273	V	95.1	Very high	90.2	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	128	-175.6	174.8	0	0	0	0	110	I254 T255 G256 V279 L299 I302	I254-V273 CarbonylContact C-O 3.57Å; I254-V273 WeakPolarHBondContact CA-O 3.27Å; I254-V273 WeakPolarHBondContact CG2-O 3.29Å; T255-V273 PolarHBondContact N-O 2.94Å; T255-V273 PolarHBondContact OG1-O 2.93Å; T255-V273 VanDerWaalsContact OG1-O 3.12Å; G256-V273 PolarHBondContact N-O 2.76Å; G256-V273 PolarHBondContact O-N 3.04Å; V273-V279 HydrophobicContact CG2-CB 4.3Å; V273-V279 HydrophobicContact CG2-CG1 3.96Å; V273-V279 HydrophobicContact CG2-CG2 3.73Å; V273-L299 HydrophobicContact CG1-CB 3.14Å; V273-L299 HydrophobicContact CG1-CD1 3.89Å; V273-L299 HydrophobicContact CG1-CG 4.16Å; V273-I302 HydrophobicContact CB-CB 4.37Å; V273-I302 HydrophobicContact CB-CG2 4.48Å; V273-I302 HydrophobicContact CG2-CB 3.58Å; V273-I302 HydrophobicContact CG2-CD1 3.49Å; V273-I302 VanDerWaalsContact CG2-CD1 3.49Å; V273-I302 HydrophobicContact CG2-CG1 4.04Å; V273-I302 HydrophobicContact CG2-CG2 3.94Å
274	S	95.7	Very high	90.6	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	164.1	-172.5	173	0	0	0	0	113.9	H250 K252 V253 D276 K277 L278 L299	H250-S274 WeakPolarHBondContact ND1-CB 3.4Å; K252-S274 VanDerWaalsContact C-OG 3.29Å; K252-S274 PolarHBondContact O-OG 2.75Å; V253-S274 PolarHBondContact O-OG 2.79Å; S274-D276 WeakPolarHBondContact CB-OD1 3.29Å; S274-D276 PolarHBondContact O-N 3.4Å; S274-D276 VanDerWaalsContact O-N 3.16Å; S274-D276 PolarHBondContact OG-N 3.09Å; S274-D276 PolarHBondContact OG-OD1 3.09Å; S274-K277 PolarHBondContact O-N 2.92Å; S274-L278 PolarHBondContact N-O 2.86Å; S274-L299 CarbonylContact C-O 3.58Å; S274-L299 WeakPolarHBondContact O-CB 2.99Å; S274-L299 PolarHBondContact O-N 2.8Å
275	L	95.2	Very high	90.9	Very high	48 Å²	48	27.8 Å²	27.8	25%	0.251	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-6.2	172.9	-63.9	175.7	0	0	0	113.1	K252 V253 T255 K277 P298 T300	K252-L275 HydrophobicContact CB-CB 4.22Å; K252-L275 HydrophobicContact CD-CB 4.08Å; V253-L275 PolarHBondContact O-N 3.24Å; T255-L275 HydrophobicContact CG2-CD1 4.35Å; T255-L275 HydrophobicContact CG2-CD2 3.79Å; T255-L275 HydrophobicContact CG2-CG 3.64Å; L275-K277 PolarHBondContact O-N 2.76Å; L275-P298 HydrophobicContact CB-CB 4.46Å; L275-P298 HydrophobicContact CD2-CB 4.15Å; L275-P298 WeakPolarHBondContact O-CB 3.19Å; L275-T300 HydrophobicContact CD2-CG2 4.38Å
276	D	95.1	Very high	91.2	Very high	5 Å²	5	29 Å²	29	3%	0.027	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	0.9	170.9	62.5	8.3	0	0	0	114.4	H250 Y251 K252 S274 L278	H250-D276 WeakPolarHBondContact CB-OD2 3.45Å; H250-D276 IonicContact CE1-OD1 2.74Å; H250-D276 IonicContact CE1-OD2 3.42Å; H250-D276 IonicContact CG-OD2 2.92Å; H250-D276 IonicContact ND1-OD1 3.31Å; H250-D276 PolarHBondContact ND1-OD1 3.16Å; H250-D276 IonicContact ND1-OD2 3.33Å; H250-D276 PolarHBondContact ND1-OD2 2.94Å; Y251-D276 HydrophobicContact CD1-CB 4Å; Y251-D276 HydrophobicContact CD2-CB 4.27Å; Y251-D276 HydrophobicContact CE1-CB 3.38Å; Y251-D276 HydrophobicContact CE2-CB 3.69Å; Y251-D276 HydrophobicContact CG-CB 4.41Å; Y251-D276 WeakPolarHBondContact OH-CB 3.08Å; Y251-D276 PolarHBondContact OH-O 2.99Å; K252-D276 HydrophobicContact CB-CB 4.12Å; K252-D276 HydrophobicContact CD-CB 4.35Å; K252-D276 HydrophobicContact CG-CB 4.33Å; S274-D276 WeakPolarHBondContact CB-OD1 3.29Å; S274-D276 PolarHBondContact O-N 3.4Å; S274-D276 VanDerWaalsContact O-N 3.16Å; S274-D276 PolarHBondContact OG-N 3.09Å; S274-D276 PolarHBondContact OG-OD1 3.09Å; D276-L278 VanDerWaalsContact C-N 3.27Å; D276-L278 VanDerWaalsContact OD1-CB 3.29Å; D276-L278 WeakPolarHBondContact OD1-CB 3.46Å; D276-L278 PolarHBondContact OD1-N 2.8Å
277	K	94.2	Very high	91.4	Very high	83 Å²	83	22.8 Å²	22.8	36%	0.361	12%	0.115	S	C	.	.	S	Bend	trans	73.2	15.8	-179.1	-37.8	-176.1	173.5	-171.4	0	113.8	S274 L275 C295 S296 S297	S274-K277 PolarHBondContact O-N 2.92Å; L275-K277 PolarHBondContact O-N 2.76Å; K277-C295 WeakPolarHBondContact CB-O 3.33Å; K277-C295 PolarHBondContact O-N 3.33Å; K277-S296 WeakPolarHBondContact CD-O 3.32Å; K277-S296 PolarHBondContact NZ-O 3.36Å; K277-S297 WeakPolarHBondContact CB-O 3.32Å; K277-S297 WeakPolarHBondContact CG-O 3.29Å
278	L	95.7	Very high	91.5	Very high	12 Å²	12	24.9 Å²	24.9	6%	0.063	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	143.1	-178.9	-59	175.2	0	0	0	111	Y251 S274 D276 Q292 L293 Q294	Y251-L278 HydrophobicContact CE1-CD1 4.17Å; S274-L278 PolarHBondContact N-O 2.86Å; D276-L278 VanDerWaalsContact C-N 3.27Å; D276-L278 VanDerWaalsContact OD1-CB 3.29Å; D276-L278 WeakPolarHBondContact OD1-CB 3.46Å; D276-L278 PolarHBondContact OD1-N 2.8Å; L278-Q292 HydrophobicContact CD2-CG 4.2Å; L278-L293 WeakPolarHBondContact CA-O 3.34Å; L278-Q294 HydrophobicContact CD2-CB 3.93Å; L278-Q294 HydrophobicContact CD2-CG 3.92Å
279	V	93.9	Very high	91.3	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	123.5	160.5	-178.7	0	0	0	0	107.6	S272 V273 F281 L293 L299 I302 I313	S272-V279 CarbonylContact O-C 3.51Å; S272-V279 VanDerWaalsContact O-CA 3.26Å; S272-V279 WeakPolarHBondContact O-CA 3.46Å; V273-V279 HydrophobicContact CG2-CB 4.3Å; V273-V279 HydrophobicContact CG2-CG1 3.96Å; V273-V279 HydrophobicContact CG2-CG2 3.73Å; V279-F281 HydrophobicContact CB-CE2 4.43Å; V279-F281 HydrophobicContact CG1-CD2 4.42Å; V279-F281 HydrophobicContact CG1-CE2 3.75Å; V279-F281 HydrophobicContact CG1-CZ 4.09Å; V279-L293 HydrophobicContact CB-CB 4.23Å; V279-L293 PolarHBondContact N-O 3.44Å; V279-L293 PolarHBondContact O-N 3.42Å; V279-L299 HydrophobicContact CG2-CD1 3.34Å; V279-I302 HydrophobicContact CG1-CD1 4.19Å; V279-I313 HydrophobicContact CB-CD1 4.46Å; V279-I313 HydrophobicContact CG2-CD1 3.66Å; V279-I313 HydrophobicContact CG2-CG1 4.09Å; V279-I313 HydrophobicContact CG2-CG2 4.11Å
280	K	93.3	Very high	91.1	Very high	22 Å²	22	30.6 Å²	30.6	10%	0.096	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	137.6	177.5	-73.2	-173	168.7	-159.6	0	110.6	L249 L271 S272 E289 Q292	L249-K280 HydrophobicContact CB-CD 4.15Å; L249-K280 WeakPolarHBondContact O-CD 3.12Å; L249-K280 WeakPolarHBondContact O-CE 3.32Å; L249-K280 PolarHBondContact O-NZ 2.67Å; L271-K280 WeakPolarHBondContact CA-O 3.15Å; S272-K280 PolarHBondContact N-O 2.94Å; S272-K280 PolarHBondContact O-N 2.95Å; S272-K280 WeakPolarHBondContact OG-CB 3.49Å; S272-K280 PolarHBondContact OG-O 3.06Å; K280-E289 IonicContact NZ-OE1 2.65Å; K280-E289 PolarHBondContact NZ-OE1 3.49Å; K280-E289 IonicContact NZ-OE2 3.14Å; K280-E289 PolarHBondContact NZ-OE2 2.9Å; K280-Q292 HydrophobicContact CG-CG 4.26Å
281	F	92.4	Very high	90.8	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.009	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	118.6	176.3	-61	-109.1	0	0	0	106.3	W22 V269 L271 V279 L290 Y291 L293 L311	W22-F281 AromaticContact CD2-CD1 3.72Å; W22-F281 HydrophobicContact CD2-CD1 3.72Å; W22-F281 HydrophobicContact CD2-CE1 4.1Å; W22-F281 HydrophobicContact CD2-CG 4.24Å; W22-F281 AromaticContact CE2-CD1 3.92Å; W22-F281 AromaticContact CE3-CD1 3.39Å; W22-F281 HydrophobicContact CE3-CD1 3.39Å; W22-F281 AromaticContact CE3-CE1 3.32Å; W22-F281 HydrophobicContact CE3-CE1 3.32Å; W22-F281 HydrophobicContact CE3-CG 4.26Å; W22-F281 HydrophobicContact CE3-CZ 4.08Å; W22-F281 AromaticContact CH2-CD1 3.54Å; W22-F281 HydrophobicContact CH2-CD1 3.54Å; W22-F281 AromaticContact CH2-CE1 3.9Å; W22-F281 HydrophobicContact CH2-CE1 3.9Å; W22-F281 AromaticContact CZ2-CD1 3.84Å; W22-F281 HydrophobicContact CZ2-CD1 3.84Å; W22-F281 AromaticContact CZ3-CD1 3.29Å; W22-F281 HydrophobicContact CZ3-CD1 3.29Å; W22-F281 AromaticContact CZ3-CE1 3.2Å; W22-F281 HydrophobicContact CZ3-CE1 3.2Å; W22-F281 HydrophobicContact CZ3-CG 4.48Å; W22-F281 HydrophobicContact CZ3-CZ 4.3Å; V269-F281 HydrophobicContact CG1-CB 4.13Å; V269-F281 HydrophobicContact CG1-CD1 4.36Å; L271-F281 HydrophobicContact CD1-CE1 4.41Å; L271-F281 HydrophobicContact CD2-CB 4.07Å; L271-F281 HydrophobicContact CD2-CD1 2.96Å; L271-F281 HydrophobicContact CD2-CD2 4.41Å; L271-F281 HydrophobicContact CD2-CE1 3.24Å; L271-F281 HydrophobicContact CD2-CG 3.59Å; L271-F281 HydrophobicContact CD2-CZ 4.11Å; L271-F281 HydrophobicContact CG-CD1 4.41Å; L271-F281 HydrophobicContact CG-CE1 4.47Å; V279-F281 HydrophobicContact CB-CE2 4.43Å; V279-F281 HydrophobicContact CG1-CD2 4.42Å; V279-F281 HydrophobicContact CG1-CE2 3.75Å; V279-F281 HydrophobicContact CG1-CZ 4.09Å; F281-L290 HydrophobicContact CB-CB 4.37Å; F281-L290 PolarHBondContact O-N 3.46Å; F281-Y291 AromaticContact CD2-CD1 3.63Å; F281-Y291 HydrophobicContact CD2-CD1 3.63Å; F281-Y291 HydrophobicContact CD2-CG 4.24Å; F281-Y291 AromaticContact CE2-CD1 3.72Å; F281-Y291 HydrophobicContact CE2-CD1 3.72Å; F281-Y291 HydrophobicContact CE2-CE1 4.45Å; F281-Y291 HydrophobicContact CG-CD1 4.44Å; F281-Y291 PolarHBondContact N-O 2.89Å; F281-Y291 PolarHBondContact O-N 3.46Å; F281-L293 HydrophobicContact CE2-CB 4.37Å; F281-L311 HydrophobicContact CE1-CD1 3.87Å; F281-L311 HydrophobicContact CE1-CD2 4.26Å; F281-L311 HydrophobicContact CZ-CD1 3.65Å
282	T	90.7	Very high	90.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	141.5	-177.4	55.7	0	0	0	0	110.2	L249 V269 L270 L284 K288 E289	L249-T282 HydrophobicContact CD1-CG2 3.92Å; L249-T282 HydrophobicContact CD2-CG2 3.38Å; L249-T282 HydrophobicContact CG-CG2 4.29Å; V269-T282 WeakPolarHBondContact CA-O 3.1Å; L270-T282 WeakPolarHBondContact CB-OG1 3.22Å; L270-T282 PolarHBondContact N-O 3.4Å; L270-T282 PolarHBondContact O-N 2.88Å; L270-T282 PolarHBondContact O-OG1 3.02Å; T282-L284 PolarHBondContact O-N 2.92Å; T282-K288 CarbonylContact C-O 3.57Å; T282-K288 VanDerWaalsContact CA-O 3.27Å; T282-K288 WeakPolarHBondContact CA-O 3.49Å; T282-E289 HydrophobicContact CG2-CB 4.35Å; T282-E289 HydrophobicContact CG2-CG 3.89Å
283	S	89.3	Confident	90.4	Very high	3 Å²	3	37 Å²	37	2%	0.021	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	130.4	170.8	176.1	0	0	0	0	109.3	L285 D286 G287 K288	S283-L285 VanDerWaalsContact C-N 3.28Å; S283-L285 PolarHBondContact O-N 2.89Å; S283-D286 PolarHBondContact OG-N 3.17Å; S283-G287 VanDerWaalsContact O-CA 3.24Å; S283-G287 WeakPolarHBondContact O-CA 3.29Å; S283-G287 PolarHBondContact O-N 3.05Å; S283-K288 PolarHBondContact N-O 2.68Å
284	L	87.7	Confident	90.2	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-24.9	178.9	-177.2	66.1	0	0	0	112.2	N214 I219 Y241 I259 E268 L270 T282	N214-L284 HydrophobicContact CB-CD2 4.41Å; I219-L284 HydrophobicContact CD1-CD2 4.5Å; I219-L284 HydrophobicContact CG2-CD1 4.42Å; Y241-L284 WeakPolarHBondContact CE1-O 3.46Å; I259-L284 HydrophobicContact CD1-CD1 4.28Å; I259-L284 HydrophobicContact CD1-CD2 4.22Å; I259-L284 HydrophobicContact CG2-CD2 4.11Å; E268-L284 HydrophobicContact CB-CB 4.16Å; E268-L284 HydrophobicContact CB-CD2 4.05Å; E268-L284 VanDerWaalsContact O-CB 3.31Å; E268-L284 WeakPolarHBondContact O-CB 3.41Å; E268-L284 PolarHBondContact O-N 3.3Å; L270-L284 HydrophobicContact CB-CD1 4.45Å; T282-L284 PolarHBondContact O-N 2.92Å
285	L	85.7	Confident	89.9	Confident	89 Å²	89	44.4 Å²	44.4	47%	0.466	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-53.5	179.9	-62.6	175.4	0	0	0	110.8	H239 S283	H239-L285 PolarHBondContact NE2-O 3.28Å; S283-L285 VanDerWaalsContact C-N 3.28Å; S283-L285 PolarHBondContact O-N 2.89Å
286	D	83	Confident	89.6	Confident	84 Å²	84	46.3 Å²	46.3	45%	0.449	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-19.2	-172.3	-84.3	10	0	0	0	113.8	S283 K288	S283-D286 PolarHBondContact OG-N 3.17Å; D286-K288 HydrophobicContact CB-CB 4.36Å; D286-K288 HydrophobicContact CB-CD 4.02Å; D286-K288 HydrophobicContact CB-CG 4.05Å; D286-K288 PolarHBondContact O-N 2.9Å; D286-K288 VanDerWaalsContact O-N 3.14Å; D286-K288 IonicContact OD2-NZ 2.74Å; D286-K288 PolarHBondContact OD2-NZ 3.08Å
287	G	83.6	Confident	89.4	Confident	11 Å²	11	46.7 Å²	46.7	11%	0.113	24%	0.236	C	C	.	.			trans	70.7	1.6	-173.7	0	0	0	0	0	114.7	Y241 S283	Y241-G287 VanDerWaalsContact CD1-CA 3.46Å; S283-G287 VanDerWaalsContact O-CA 3.24Å; S283-G287 WeakPolarHBondContact O-CA 3.29Å; S283-G287 PolarHBondContact O-N 3.05Å
288	K	87.2	Confident	89.5	Confident	132 Å²	132	43.9 Å²	43.9	57%	0.574	23%	0.226	S	C	*	.			trans	-71.5	136.9	-179.7	-69.2	169.9	-169.4	150.1	0	111.3	T282 S283 D286 L290	T282-K288 CarbonylContact C-O 3.57Å; T282-K288 VanDerWaalsContact CA-O 3.27Å; T282-K288 WeakPolarHBondContact CA-O 3.49Å; S283-K288 PolarHBondContact N-O 2.68Å; D286-K288 HydrophobicContact CB-CB 4.36Å; D286-K288 HydrophobicContact CB-CD 4.02Å; D286-K288 HydrophobicContact CB-CG 4.05Å; D286-K288 PolarHBondContact O-N 2.9Å; D286-K288 VanDerWaalsContact O-N 3.14Å; D286-K288 IonicContact OD2-NZ 2.74Å; D286-K288 PolarHBondContact OD2-NZ 3.08Å; K288-L290 PolarHBondContact O-N 2.93Å
289	E	86.1	Confident	89.4	Confident	89 Å²	89	43.3 Å²	43.3	42%	0.416	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	114.1	173.3	-57.2	-170	171.4	0	0	110	L249 K280 T282	L249-E289 HydrophobicContact CD2-CG 4.27Å; K280-E289 IonicContact NZ-OE1 2.65Å; K280-E289 PolarHBondContact NZ-OE1 3.49Å; K280-E289 IonicContact NZ-OE2 3.14Å; K280-E289 PolarHBondContact NZ-OE2 2.9Å; T282-E289 HydrophobicContact CG2-CB 4.35Å; T282-E289 HydrophobicContact CG2-CG 3.89Å
290	L	86.1	Confident	89.4	Confident	62 Å²	62	43.5 Å²	43.5	33%	0.325	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	-42.6	178.3	-59.2	177.2	0	0	0	110.9	V269 F281 K288	V269-L290 HydrophobicContact CG1-CD1 4.29Å; V269-L290 HydrophobicContact CG2-CD1 4.06Å; F281-L290 HydrophobicContact CB-CB 4.37Å; F281-L290 PolarHBondContact O-N 3.46Å; K288-L290 PolarHBondContact O-N 2.93Å
291	Y	88.3	Confident	89.3	Confident	35 Å²	35	42.8 Å²	42.8	14%	0.137	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	152.7	-175.8	-172.3	-109.2	0	0	0	112.6	N20 W22 D23 F281 L293	N20-Y291 WeakPolarHBondContact ND2-CD2 3.42Å; W22-Y291 HydrophobicContact CB-CD1 3.43Å; W22-Y291 VanDerWaalsContact CB-CD1 3.43Å; W22-Y291 HydrophobicContact CB-CD2 3.57Å; W22-Y291 HydrophobicContact CB-CE1 3.8Å; W22-Y291 HydrophobicContact CB-CE2 3.94Å; W22-Y291 HydrophobicContact CB-CG 3.28Å; W22-Y291 HydrophobicContact CG-CD1 4.12Å; W22-Y291 HydrophobicContact CG-CD2 4.35Å; W22-Y291 AromaticContact CG-CG 3.79Å; W22-Y291 HydrophobicContact CG-CG 3.79Å; D23-Y291 WeakPolarHBondContact OD1-CE2 2.96Å; D23-Y291 VanDerWaalsContact OD1-CZ 3.27Å; D23-Y291 PolarHBondContact OD1-OH 2.67Å; F281-Y291 AromaticContact CD2-CD1 3.63Å; F281-Y291 HydrophobicContact CD2-CD1 3.63Å; F281-Y291 HydrophobicContact CD2-CG 4.24Å; F281-Y291 AromaticContact CE2-CD1 3.72Å; F281-Y291 HydrophobicContact CE2-CD1 3.72Å; F281-Y291 HydrophobicContact CE2-CE1 4.45Å; F281-Y291 HydrophobicContact CG-CD1 4.44Å; F281-Y291 PolarHBondContact N-O 2.89Å; F281-Y291 PolarHBondContact O-N 3.46Å; Y291-L293 HydrophobicContact CD1-CB 4.39Å; Y291-L293 HydrophobicContact CE1-CB 3.92Å
292	Q	89.7	Confident	89.4	Confident	94 Å²	94	43.4 Å²	43.4	44%	0.439	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	128.5	175.6	-178.4	-179.6	-13.9	0	0	110.4	L278 K280	L278-Q292 HydrophobicContact CD2-CG 4.2Å; K280-Q292 HydrophobicContact CG-CG 4.26Å
293	L	89.8	Confident	89.4	Confident	5 Å²	5	43.5 Å²	43.5	3%	0.026	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	122.6	177.3	-176.2	163.2	0	0	0	109.8	L278 V279 F281 Y291 C295 I313 K321 K323	L278-L293 WeakPolarHBondContact CA-O 3.34Å; V279-L293 HydrophobicContact CB-CB 4.23Å; V279-L293 PolarHBondContact N-O 3.44Å; V279-L293 PolarHBondContact O-N 3.42Å; F281-L293 HydrophobicContact CE2-CB 4.37Å; Y291-L293 HydrophobicContact CD1-CB 4.39Å; Y291-L293 HydrophobicContact CE1-CB 3.92Å; L293-C295 WeakPolarHBondContact CD2-SG 3.44Å; L293-I313 HydrophobicContact CD1-CD1 4.4Å; L293-I313 HydrophobicContact CD2-CD1 4.44Å; L293-K321 HydrophobicContact CD2-CD 4.26Å; L293-K323 HydrophobicContact CD1-CD 3.51Å; L293-K323 VanDerWaalsContact CD1-CE 3.46Å
294	Q	91.3	Very high	89.6	Confident	148 Å²	148	43.5 Å²	43.5	69%	0.692	23%	0.227	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-94.7	132.5	174.8	-168.5	171.9	13.8	0	0	111.9	L278 K321	L278-Q294 HydrophobicContact CD2-CB 3.93Å; L278-Q294 HydrophobicContact CD2-CG 3.92Å; Q294-K321 PolarHBondContact O-NZ 2.92Å
295	C	89.9	Confident	89.7	Confident	8 Å²	8	43.5 Å²	43.5	5%	0.054	23%	0.227	C	C	.	.			trans	-110.3	164.1	174.7	-74.1	0	0	0	0	111.4	K277 L293 L299 F319 K321	K277-C295 WeakPolarHBondContact CB-O 3.33Å; K277-C295 PolarHBondContact O-N 3.33Å; L293-C295 WeakPolarHBondContact CD2-SG 3.44Å; C295-L299 HydrophobicContact CB-CD1 4.11Å; C295-L299 HydrophobicContact CB-CD2 3.79Å; C295-L299 HydrophobicContact CB-CG 4.23Å; C295-F319 HydrophobicContact CB-CE1 4.14Å; C295-K321 WeakPolarHBondContact SG-CD 3.43Å
296	S	88.5	Confident	89.8	Confident	88 Å²	88	40.6 Å²	40.6	62%	0.615	21%	0.213	S	C	*	.	S	Bend	trans	-81.7	-27.7	179.6	50.7	0	0	0	0	113.2	K277	K277-S296 WeakPolarHBondContact CD-O 3.32Å; K277-S296 PolarHBondContact NZ-O 3.36Å
297	S	91.9	Very high	89.9	Confident	14 Å²	14	42.6 Å²	42.6	10%	0.098	22%	0.218	C	C	.	.	S	Bend	trans	-111.7	156.3	179.6	77.1	0	0	0	0	112	K277 L299 F319	K277-S297 WeakPolarHBondContact CB-O 3.32Å; K277-S297 WeakPolarHBondContact CG-O 3.29Å; S297-L299 WeakPolarHBondContact O-CD2 3.37Å; S297-F319 WeakPolarHBondContact OG-CB 3.16Å; S297-F319 WeakPolarHBondContact OG-CD1 3.31Å; S297-F319 WeakPolarHBondContact OG-CG 3.25Å
298	P	94.6	Very high	90	Very high	23 Å²	23	42 Å²	42	15%	0.149	21%	0.212	C	C	.	.			trans	-62.4	142.8	168.1	27.5	-33.3	0	0	0	109.7	L275 G315 E316	L275-P298 HydrophobicContact CB-CB 4.46Å; L275-P298 HydrophobicContact CD2-CB 4.15Å; L275-P298 WeakPolarHBondContact O-CB 3.19Å; P298-G315 CarbonylContact O-C 3.51Å; P298-G315 WeakPolarHBondContact O-CA 3.41Å; P298-E316 HydrophobicContact CB-CG 4.37Å; P298-E316 HydrophobicContact CG-CB 3.85Å; P298-E316 HydrophobicContact CG-CG 3.74Å; P298-E316 WeakPolarHBondContact CG-OE2 3.33Å; P298-E316 PolarHBondContact O-N 3.39Å
299	L	95.2	Very high	90	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	146.9	-170.5	-54.3	176.9	0	0	0	110	T255 V273 S274 V279 C295 S297 I313 F319	T255-L299 PolarHBondContact OG1-O 3.34Å; V273-L299 HydrophobicContact CG1-CB 3.14Å; V273-L299 HydrophobicContact CG1-CD1 3.89Å; V273-L299 HydrophobicContact CG1-CG 4.16Å; S274-L299 CarbonylContact C-O 3.58Å; S274-L299 WeakPolarHBondContact O-CB 2.99Å; S274-L299 PolarHBondContact O-N 2.8Å; V279-L299 HydrophobicContact CG2-CD1 3.34Å; C295-L299 HydrophobicContact CB-CD1 4.11Å; C295-L299 HydrophobicContact CB-CD2 3.79Å; C295-L299 HydrophobicContact CB-CG 4.23Å; S297-L299 WeakPolarHBondContact O-CD2 3.37Å; L299-I313 HydrophobicContact CB-CG2 4.38Å; L299-I313 HydrophobicContact CD1-CG2 3.74Å; L299-I313 HydrophobicContact CD2-CG2 3.57Å; L299-I313 HydrophobicContact CG-CG2 4.09Å; L299-F319 HydrophobicContact CD2-CD1 4.34Å; L299-F319 HydrophobicContact CD2-CE1 4.28Å
300	T	92.4	Very high	90.2	Very high	4 Å²	4	33 Å²	33	3%	0.025	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	-25.8	-165.9	50.5	0	0	0	0	113.8	R36 V37 T255 L275 G314 G315 E316	R36-T300 HydrophobicContact CG-CG2 4.42Å; V37-T300 WeakPolarHBondContact O-CB 3.26Å; V37-T300 PolarHBondContact O-OG1 3.15Å; T255-T300 WeakPolarHBondContact CB-O 3.49Å; T255-T300 VanDerWaalsContact OG1-C 3.31Å; T255-T300 WeakPolarHBondContact OG1-CA 3.3Å; T255-T300 PolarHBondContact OG1-O 2.8Å; L275-T300 HydrophobicContact CD2-CG2 4.38Å; T300-G314 PolarHBondContact N-O 2.89Å; T300-G314 PolarHBondContact OG1-O 2.93Å; T300-G315 WeakPolarHBondContact OG1-CA 3.01Å; T300-E316 HydrophobicContact CG2-CG 3.6Å
301	A	91.3	Very high	90.5	Very high	7 Å²	7	30.1 Å²	30.1	6%	0.058	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	153.1	179.9	0	0	0	0	0	110.2	V40 G314	V40-A301 HydrophobicContact CG2-CB 3.89Å; A301-G314 PolarHBondContact N-O 3.16Å; A301-G314 PolarHBondContact O-N 2.9Å
302	I	94.3	Very high	90.8	Very high	15 Å²	15	28.5 Å²	28.5	8%	0.077	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	146.2	174.8	-173.3	164.3	0	0	0	108.8	F258 L271 V273 V279 V304	F258-I302 HydrophobicContact CB-CG2 4.09Å; L271-I302 HydrophobicContact CB-CD1 3.91Å; L271-I302 HydrophobicContact CD1-CD1 4.34Å; V273-I302 HydrophobicContact CB-CB 4.37Å; V273-I302 HydrophobicContact CB-CG2 4.48Å; V273-I302 HydrophobicContact CG2-CB 3.58Å; V273-I302 HydrophobicContact CG2-CD1 3.49Å; V273-I302 VanDerWaalsContact CG2-CD1 3.49Å; V273-I302 HydrophobicContact CG2-CG1 4.04Å; V273-I302 HydrophobicContact CG2-CG2 3.94Å; V279-I302 HydrophobicContact CG1-CD1 4.19Å; I302-V304 HydrophobicContact CD1-CG2 4.05Å; I302-V304 HydrophobicContact CG1-CG2 3.95Å
303	G	91.5	Very high	91	Very high	3 Å²	3	24 Å²	24	3%	0.031	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	141.8	162.2	0	0	0	0	0	109.1	I42 I312	I42-G303 WeakPolarHBondContact CD1-O 3.41Å; G303-I312 PolarHBondContact N-O 2.89Å; G303-I312 PolarHBondContact O-N 2.81Å
304	V	92.9	Very high	91.2	Very high	3 Å²	3	23.8 Å²	23.8	2%	0.018	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	139.8	178.3	-178.4	0	0	0	0	110.8	F258 E260 L271 I302 C308 S310 L311	F258-V304 HydrophobicContact CD1-CB 3.69Å; F258-V304 HydrophobicContact CD1-CG2 4.08Å; F258-V304 HydrophobicContact CE1-CB 3.81Å; F258-V304 WeakPolarHBondContact CE1-O 3.02Å; E260-V304 HydrophobicContact CB-CG1 4.42Å; E260-V304 HydrophobicContact CG-CB 4.35Å; E260-V304 HydrophobicContact CG-CG1 4.13Å; L271-V304 HydrophobicContact CD1-CB 4.12Å; L271-V304 HydrophobicContact CD1-CG1 4.14Å; L271-V304 HydrophobicContact CD1-CG2 3.35Å; I302-V304 HydrophobicContact CD1-CG2 4.05Å; I302-V304 HydrophobicContact CG1-CG2 3.95Å; V304-C308 HydrophobicContact CG1-CB 4.18Å; V304-S310 WeakPolarHBondContact CA-O 3.3Å; V304-L311 HydrophobicContact CB-CD2 4.06Å; V304-L311 HydrophobicContact CG1-CD2 3.58Å; V304-L311 HydrophobicContact CG2-CD2 3.38Å
305	T	91.2	Very high	91.2	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.102	C	C	.	.			trans	-79.2	159.7	171.3	64.1	0	0	0	0	110.5	I42 Y48 C308 G309 S310	I42-T305 HydrophobicContact CG2-CG2 3.92Å; Y48-T305 HydrophobicContact CD1-CG2 4.3Å; Y48-T305 HydrophobicContact CD2-CG2 4.41Å; Y48-T305 HydrophobicContact CG-CG2 3.99Å; T305-C308 WeakPolarHBondContact O-CA 3.11Å; T305-C308 PolarHBondContact O-N 2.58Å; T305-C308 VanDerWaalsContact O-N 3.11Å; T305-G309 PolarHBondContact OG1-N 2.83Å; T305-S310 PolarHBondContact N-O 3Å; T305-S310 PolarHBondContact OG1-N 3.46Å; T305-S310 PolarHBondContact OG1-O 3.37Å
306	P	87.8	Confident	91.2	Very high	28 Å²	28	18.7 Å²	18.7	18%	0.182	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-50.2	146.4	176.7	-27.4	35	0	0	0	113.5	V44 Y48 C308 G309	V44-P306 HydrophobicContact CG1-CG 4.07Å; V44-P306 WeakPolarHBondContact O-CG 3.16Å; Y48-P306 HydrophobicContact CE1-CG 3.96Å; P306-C308 PolarHBondContact O-N 2.87Å; P306-G309 PolarHBondContact O-N 2.81Å
307	K	84.6	Confident	91.2	Very high	125 Å²	125	21.4 Å²	21.4	54%	0.543	11%	0.113	S	C	.	.	G	3₁₀ helix	trans	54.8	27.7	-175.1	-61.7	-169	173.1	-164.5	0	113.5	Q261 P263 G309	Q261-K307 CarbonylContact O-C 3.58Å; Q261-K307 WeakPolarHBondContact O-CA 3.44Å; P263-K307 WeakPolarHBondContact CA-O 3.49Å; P263-K307 VanDerWaalsContact CB-O 3.3Å; P263-K307 WeakPolarHBondContact CB-O 3.39Å; K307-G309 PolarHBondContact O-N 3.37Å
308	C	84.9	Confident	91	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	52.8	25.2	-175.9	-58.6	0	0	0	0	115.2	W22 Y25 Q261 V304 T305 P306 S310	W22-C308 HydrophobicContact CH2-CB 4.02Å; W22-C308 HydrophobicContact CZ3-CB 3.99Å; Y25-C308 VanDerWaalsContact CE1-O 3.29Å; Y25-C308 WeakPolarHBondContact CE1-O 2.88Å; Y25-C308 WeakPolarHBondContact OH-CB 3.3Å; Y25-C308 PolarHBondContact OH-O 3.13Å; Q261-C308 PolarHBondContact O-SG 3.19Å; V304-C308 HydrophobicContact CG1-CB 4.18Å; T305-C308 WeakPolarHBondContact O-CA 3.11Å; T305-C308 PolarHBondContact O-N 2.58Å; T305-C308 VanDerWaalsContact O-N 3.11Å; P306-C308 PolarHBondContact O-N 2.87Å; C308-S310 PolarHBondContact O-N 2.94Å; C308-S310 VanDerWaalsContact O-N 3.09Å
309	G	86.8	Confident	90.9	Very high	20 Å²	20	21.1 Å²	21.1	21%	0.206	11%	0.108	C	C	.	.			trans	-57.6	-31	-175.8	0	0	0	0	0	114.5	T305 P306 K307 Y325	T305-G309 PolarHBondContact OG1-N 2.83Å; P306-G309 PolarHBondContact O-N 2.81Å; K307-G309 PolarHBondContact O-N 3.37Å; G309-Y325 PolarHBondContact O-N 2.76Å
310	S	91.1	Very high	90.8	Very high	11 Å²	11	21.1 Å²	21.1	8%	0.077	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	133.8	177.1	-57.7	0	0	0	0	110.2	V304 T305 C308 K323 H324	V304-S310 WeakPolarHBondContact CA-O 3.3Å; T305-S310 PolarHBondContact N-O 3Å; T305-S310 PolarHBondContact OG1-N 3.46Å; T305-S310 PolarHBondContact OG1-O 3.37Å; C308-S310 PolarHBondContact O-N 2.94Å; C308-S310 VanDerWaalsContact O-N 3.09Å; S310-K323 CarbonylContact C-O 3.57Å; S310-K323 VanDerWaalsContact CA-O 3.3Å; S310-K323 WeakPolarHBondContact CA-O 3.38Å; S310-H324 WeakPolarHBondContact CB-ND1 3.49Å; S310-H324 PolarHBondContact OG-ND1 3.01Å
311	L	92	Very high	90.8	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.01	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	122.9	179.9	-59	167.7	0	0	0	108.2	Y25 L271 F281 V304 I322 K323	Y25-L311 HydrophobicContact CD1-CD1 3.72Å; Y25-L311 HydrophobicContact CD1-CG 4.29Å; Y25-L311 HydrophobicContact CE1-CD1 3.43Å; Y25-L311 VanDerWaalsContact CE1-CD1 3.43Å; Y25-L311 HydrophobicContact CE1-CG 3.76Å; Y25-L311 HydrophobicContact CG-CD1 4.5Å; L271-L311 HydrophobicContact CD1-CD2 4.05Å; F281-L311 HydrophobicContact CE1-CD1 3.87Å; F281-L311 HydrophobicContact CE1-CD2 4.26Å; F281-L311 HydrophobicContact CZ-CD1 3.65Å; V304-L311 HydrophobicContact CB-CD2 4.06Å; V304-L311 HydrophobicContact CG1-CD2 3.58Å; V304-L311 HydrophobicContact CG2-CD2 3.38Å; L311-I322 CarbonylContact O-C 3.54Å; L311-I322 WeakPolarHBondContact O-CA 3.39Å; L311-K323 HydrophobicContact CB-CB 4.24Å; L311-K323 HydrophobicContact CD1-CB 4.37Å; L311-K323 PolarHBondContact N-O 2.87Å; L311-K323 PolarHBondContact O-N 3.34Å
312	I	94.1	Very high	90.9	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	113.9	177.2	-61.5	138.2	0	0	0	107.5	V40 I42 Y50 L52 G303 V320 I322	V40-I312 HydrophobicContact CG1-CB 3.98Å; V40-I312 HydrophobicContact CG1-CG2 3.62Å; V40-I312 HydrophobicContact CG2-CG2 4.4Å; I42-I312 HydrophobicContact CD1-CD1 3.67Å; I42-I312 HydrophobicContact CG1-CD1 4.06Å; Y50-I312 HydrophobicContact CD1-CD1 3.56Å; Y50-I312 HydrophobicContact CD1-CG1 4.32Å; Y50-I312 HydrophobicContact CD2-CD1 4Å; Y50-I312 HydrophobicContact CD2-CG1 4.35Å; Y50-I312 HydrophobicContact CD2-CG2 4.16Å; Y50-I312 HydrophobicContact CE1-CD1 4.17Å; Y50-I312 HydrophobicContact CE1-CG1 4.49Å; Y50-I312 HydrophobicContact CE2-CG2 4.38Å; Y50-I312 HydrophobicContact CG-CD1 3.43Å; Y50-I312 VanDerWaalsContact CG-CD1 3.43Å; Y50-I312 HydrophobicContact CG-CG1 4.23Å; L52-I312 HydrophobicContact CD2-CG2 4.32Å; G303-I312 PolarHBondContact N-O 2.89Å; G303-I312 PolarHBondContact O-N 2.81Å; I312-V320 HydrophobicContact CG2-CG1 4.12Å; I312-I322 HydrophobicContact CG1-CG1 4.46Å; I312-I322 HydrophobicContact CG1-CG2 4.28Å
313	I	94.1	Very high	90.7	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	120.7	-175.1	-62.2	157.2	0	0	0	107.6	V279 L293 L299 V320 K321	V279-I313 HydrophobicContact CB-CD1 4.46Å; V279-I313 HydrophobicContact CG2-CD1 3.66Å; V279-I313 HydrophobicContact CG2-CG1 4.09Å; V279-I313 HydrophobicContact CG2-CG2 4.11Å; L293-I313 HydrophobicContact CD1-CD1 4.4Å; L293-I313 HydrophobicContact CD2-CD1 4.44Å; L299-I313 HydrophobicContact CB-CG2 4.38Å; L299-I313 HydrophobicContact CD1-CG2 3.74Å; L299-I313 HydrophobicContact CD2-CG2 3.57Å; L299-I313 HydrophobicContact CG-CG2 4.09Å; I313-V320 CarbonylContact O-C 3.54Å; I313-V320 VanDerWaalsContact O-CA 3.29Å; I313-V320 WeakPolarHBondContact O-CA 3.38Å; I313-K321 HydrophobicContact CB-CB 4.42Å; I313-K321 PolarHBondContact N-O 3.23Å; I313-K321 PolarHBondContact O-N 3.3Å
314	G	93.6	Very high	90.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	144.2	173.8	0	0	0	0	0	111.5	T300 A301	T300-G314 PolarHBondContact N-O 2.89Å; T300-G314 PolarHBondContact OG1-O 2.93Å; A301-G314 PolarHBondContact N-O 3.16Å; A301-G314 PolarHBondContact O-N 2.9Å
315	G	92.2	Very high	90.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	-173.5	176.5	0	0	0	0	0	114.2	V37 P298 T300 F319	V37-G315 PolarHBondContact N-O 2.85Å; P298-G315 CarbonylContact O-C 3.51Å; P298-G315 WeakPolarHBondContact O-CA 3.41Å; T300-G315 WeakPolarHBondContact OG1-CA 3.01Å; G315-F319 PolarHBondContact N-O 3.19Å
316	E	90.5	Very high	89.2	Confident	49 Å²	49	28.1 Å²	28.1	23%	0.229	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-71.2	160.9	175	-60.3	-166.7	150.2	0	0	112.1	R36 P298 T300 G318 F319	R36-E316 IonicContact CZ-OE1 3.4Å; R36-E316 IonicContact NE-OE1 2.75Å; R36-E316 IonicContact NH1-OE1 3.4Å; R36-E316 IonicContact NH2-OE1 3.55Å; P298-E316 HydrophobicContact CB-CG 4.37Å; P298-E316 HydrophobicContact CG-CB 3.85Å; P298-E316 HydrophobicContact CG-CG 3.74Å; P298-E316 WeakPolarHBondContact CG-OE2 3.33Å; P298-E316 PolarHBondContact O-N 3.39Å; T300-E316 HydrophobicContact CG2-CG 3.6Å; E316-G318 PolarHBondContact O-N 3.09Å; E316-F319 WeakPolarHBondContact O-CB 3.39Å; E316-F319 PolarHBondContact O-N 2.92Å
317	H	89	Confident	87.9	Confident	146 Å²	146	30.6 Å²	30.6	68%	0.676	15%	0.154	S	C	*	.	G	3₁₀ helix	trans	57.6	19	-176.6	-50.7	-70.6	0	0	0	114.7	Q32 F319	Q32-H317 PolarHBondContact NE2-O 3.29Å; H317-F319 VanDerWaalsContact C-N 3.33Å
318	G	86.8	Confident	86.6	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	80.3	12.3	179.6	0	0	0	0	0	114.6	L33 H35 E316 V320	L33-G318 PolarHBondContact N-O 3.03Å; L33-G318 WeakPolarHBondContact O-CA 3.47Å; H35-G318 WeakPolarHBondContact O-CA 3.41Å; H35-G318 PolarHBondContact O-N 3.34Å; E316-G318 PolarHBondContact O-N 3.09Å; G318-V320 PolarHBondContact O-N 3.25Å
319	F	92.7	Very high	85.1	Confident	30 Å²	30	35.8 Å²	35.8	13%	0.132	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	130.1	172.7	177.2	-99.3	0	0	0	110.8	C295 S297 L299 G315 E316 H317 K321	C295-F319 HydrophobicContact CB-CE1 4.14Å; S297-F319 WeakPolarHBondContact OG-CB 3.16Å; S297-F319 WeakPolarHBondContact OG-CD1 3.31Å; S297-F319 WeakPolarHBondContact OG-CG 3.25Å; L299-F319 HydrophobicContact CD2-CD1 4.34Å; L299-F319 HydrophobicContact CD2-CE1 4.28Å; G315-F319 PolarHBondContact N-O 3.19Å; E316-F319 WeakPolarHBondContact O-CB 3.39Å; E316-F319 PolarHBondContact O-N 2.92Å; H317-F319 VanDerWaalsContact C-N 3.33Å; F319-K321 HydrophobicContact CE1-CB 3.74Å; F319-K321 HydrophobicContact CZ-CB 3.83Å; F319-K321 HydrophobicContact CZ-CD 4.27Å; F319-K321 HydrophobicContact CZ-CG 4.43Å
320	V	92.9	Very high	83.1	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	122	172.5	177	0	0	0	0	109.4	L31 L33 V37 L52 I312 I313 G318 I322	L31-V320 HydrophobicContact CB-CB 4.02Å; L31-V320 HydrophobicContact CB-CG1 4.41Å; L31-V320 PolarHBondContact N-O 2.82Å; L31-V320 VanDerWaalsContact N-O 3.14Å; L31-V320 PolarHBondContact O-N 2.86Å; L33-V320 HydrophobicContact CD1-CG2 4.15Å; L33-V320 HydrophobicContact CG-CG2 4.48Å; V37-V320 HydrophobicContact CG2-CG2 3.68Å; L52-V320 HydrophobicContact CD1-CG1 3.99Å; L52-V320 HydrophobicContact CD1-CG2 4.07Å; I312-V320 HydrophobicContact CG2-CG1 4.12Å; I313-V320 CarbonylContact O-C 3.54Å; I313-V320 VanDerWaalsContact O-CA 3.29Å; I313-V320 WeakPolarHBondContact O-CA 3.38Å; G318-V320 PolarHBondContact O-N 3.25Å; V320-I322 HydrophobicContact CG1-CG1 4.1Å
321	K	92.4	Very high	80.7	Confident	47 Å²	47	41 Å²	41	20%	0.204	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	130	175.8	-167.1	173.6	-174.4	176	0	109.4	L293 Q294 C295 I313 F319	L293-K321 HydrophobicContact CD2-CD 4.26Å; Q294-K321 PolarHBondContact O-NZ 2.92Å; C295-K321 WeakPolarHBondContact SG-CD 3.43Å; I313-K321 HydrophobicContact CB-CB 4.42Å; I313-K321 PolarHBondContact N-O 3.23Å; I313-K321 PolarHBondContact O-N 3.3Å; F319-K321 HydrophobicContact CE1-CB 3.74Å; F319-K321 HydrophobicContact CZ-CB 3.83Å; F319-K321 HydrophobicContact CZ-CD 4.27Å; F319-K321 HydrophobicContact CZ-CG 4.43Å
322	I	93.1	Very high	78	Confident	2 Å²	2	48.5 Å²	48.5	1%	0.01	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	136.8	-179.8	-53.1	173.8	0	0	0	107.9	G28 L31 Y50 D66 L311 I312 V320 H324	G28-I322 PolarHBondContact N-O 2.97Å; L31-I322 HydrophobicContact CD1-CD1 3.84Å; L31-I322 HydrophobicContact CG-CD1 4.19Å; Y50-I322 HydrophobicContact CE2-CD1 4.28Å; Y50-I322 WeakPolarHBondContact OH-CD1 3.41Å; D66-I322 HydrophobicContact CB-CD1 4.45Å; L311-I322 CarbonylContact O-C 3.54Å; L311-I322 WeakPolarHBondContact O-CA 3.39Å; I312-I322 HydrophobicContact CG1-CG1 4.46Å; I312-I322 HydrophobicContact CG1-CG2 4.28Å; V320-I322 HydrophobicContact CG1-CG1 4.1Å; I322-H324 WeakPolarHBondContact CG2-NE2 3.25Å
323	K	90.6	Very high	75.2	Confident	17 Å²	17	53.3 Å²	53.3	7%	0.074	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	137.3	173.1	-86.9	-167.3	165	-157.3	0	109.6	Y25 K26 N27 L293 S310 L311	Y25-K323 HydrophobicContact CD1-CB 3.94Å; Y25-K323 HydrophobicContact CG-CB 4.46Å; Y25-K323 HydrophobicContact CG-CD 4.48Å; K26-K323 CarbonylContact O-C 3.58Å; K26-K323 VanDerWaalsContact O-CA 3.32Å; K26-K323 WeakPolarHBondContact O-CA 2.9Å; N27-K323 WeakPolarHBondContact OD1-CE 3.17Å; L293-K323 HydrophobicContact CD1-CD 3.51Å; L293-K323 VanDerWaalsContact CD1-CE 3.46Å; S310-K323 CarbonylContact C-O 3.57Å; S310-K323 VanDerWaalsContact CA-O 3.3Å; S310-K323 WeakPolarHBondContact CA-O 3.38Å; L311-K323 HydrophobicContact CB-CB 4.24Å; L311-K323 HydrophobicContact CD1-CB 4.37Å; L311-K323 PolarHBondContact N-O 2.87Å; L311-K323 PolarHBondContact O-N 3.34Å
324	H	89.7	Confident	72.4	Confident	30 Å²	30	57.2 Å²	57.2	14%	0.139	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	136.1	176.1	-59.6	-67.6	0	0	0	110.1	Y25 K26 C63 D66 S310 I322	Y25-H324 CarbonylContact C-O 3.59Å; Y25-H324 WeakPolarHBondContact CA-O 2.83Å; K26-H324 PolarHBondContact N-O 2.78Å; K26-H324 PolarHBondContact O-N 3.26Å; C63-H324 PolarHBondContact O-CE1 2.95Å; C63-H324 PolarHBondContact O-NE2 2.98Å; D66-H324 IonicContact OD1-CE1 3.43Å; D66-H324 IonicContact OD1-NE2 3.16Å; D66-H324 PolarHBondContact OD1-NE2 3.45Å; D66-H324 IonicContact OD2-NE2 2.67Å; D66-H324 PolarHBondContact OD2-NE2 2.92Å; D66-H324 VanDerWaalsContact OD2-NE2 3.13Å; S310-H324 WeakPolarHBondContact CB-ND1 3.49Å; S310-H324 PolarHBondContact OG-ND1 3.01Å; I322-H324 WeakPolarHBondContact CG2-NE2 3.25Å
325	Y	84.9	Confident	69.2	Low	25 Å²	25	60.4 Å²	60.4	10%	0.098	32%	0.32	C	S	.	.			trans	-85.7	121.2	171.7	-177	-113.3	0	0	0	109.5	V21 S24 Y25 P263 I264 G309 P327 D330	V21-Y325 HydrophobicContact CG1-CD2 4.18Å; V21-Y325 HydrophobicContact CG1-CE2 3.36Å; S24-Y325 WeakPolarHBondContact OG-CE2 3.41Å; Y25-Y325 AromaticContact CD2-CD2 3.98Å; Y25-Y325 HydrophobicContact CD2-CD2 3.98Å; Y25-Y325 HydrophobicContact CE1-CG 4.45Å; Y25-Y325 AromaticContact CE2-CD2 3.59Å; Y25-Y325 HydrophobicContact CE2-CD2 3.59Å; Y25-Y325 HydrophobicContact CE2-CE2 4.42Å; Y25-Y325 HydrophobicContact CE2-CG 4.25Å; Y25-Y325 AromaticContact CZ-CD2 3.89Å; P263-Y325 HydrophobicContact CB-CD1 3.79Å; P263-Y325 HydrophobicContact CB-CE1 3.56Å; P263-Y325 HydrophobicContact CB-CG 4.38Å; P263-Y325 HydrophobicContact CG-CE1 4.24Å; P263-Y325 HydrophobicContact CG-CE2 4.37Å; I264-Y325 WeakPolarHBondContact CD1-OH 3.43Å; I264-Y325 WeakPolarHBondContact CG1-OH 3.31Å; G309-Y325 PolarHBondContact O-N 2.76Å; Y325-P327 HydrophobicContact CE1-CB 4.05Å; Y325-D330 PolarHBondContact OH-OD2 3.48Å; Y325-D330 VanDerWaalsContact OH-OD2 3.12Å
326	D	69	Low	66.2	Low	59 Å²	59	64.7 Å²	64.7	32%	0.316	35%	0.35	S	S	.	.			trans	-106.5	108.2	173.7	-88	-17.1	0	0	0	109.3	K26 K328	K26-D326 VanDerWaalsContact CD-OD2 3.26Å; K26-D326 WeakPolarHBondContact CD-OD2 3.35Å; K26-D326 WeakPolarHBondContact CE-OD2 3.47Å; K26-D326 IonicContact NZ-OD2 3.79Å; K26-D326 PolarHBondContact NZ-OD2 3.46Å; D326-K328 PolarHBondContact O-N 2.95Å; D326-K328 VanDerWaalsContact O-N 3.13Å
327	P	61.1	Low	63.4	Low	80 Å²	80	67.1 Å²	67.1	52%	0.519	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-66.7	-17.2	-177.7	26.3	-34.6	0	0	0	113.5	Y325 I329 D330	Y325-P327 HydrophobicContact CE1-CB 4.05Å; P327-I329 PolarHBondContact O-N 2.64Å; P327-I329 VanDerWaalsContact O-N 3.12Å; P327-D330 PolarHBondContact O-N 2.81Å
328	K	58.1	Low	60.5	Low	164 Å²	164	69 Å²	69	71%	0.713	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-65.3	-15.4	-174.2	-66.9	-175	177.9	-176.3	0	114.3	D326 T331 F332	D326-K328 PolarHBondContact O-N 2.95Å; D326-K328 VanDerWaalsContact O-N 3.13Å; K328-T331 PolarHBondContact O-OG1 2.99Å; K328-T331 VanDerWaalsContact O-OG1 3.11Å; K328-F332 WeakPolarHBondContact O-CD2 3.21Å
329	I	52.2	Low	57.6	Low	70 Å²	70	72.2 Å²	72.2	36%	0.359	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	-75.3	-32.7	-178.3	-63.8	173.3	0	0	0	110.7	P327 F332	P327-I329 PolarHBondContact O-N 2.64Å; P327-I329 VanDerWaalsContact O-N 3.12Å; I329-F332 PolarHBondContact O-N 2.7Å
330	D	45.3	Very low	54.5	Low	55 Å²	55	79.4 Å²	79.4	29%	0.294	45%	0.449	S	S	.	.	H	α-helix	trans	-75.1	-30.7	-175.8	-66	-19	0	0	0	112.8	I264 Y325 P327 F332 V333 S334	I264-D330 VanDerWaalsContact CD1-OD2 3.23Å; I264-D330 WeakPolarHBondContact CD1-OD2 3.35Å; Y325-D330 PolarHBondContact OH-OD2 3.48Å; Y325-D330 VanDerWaalsContact OH-OD2 3.12Å; P327-D330 PolarHBondContact O-N 2.81Å; D330-F332 PolarHBondContact O-N 3.12Å; D330-V333 PolarHBondContact O-N 2.88Å; D330-V333 VanDerWaalsContact O-N 3.07Å; D330-S334 PolarHBondContact O-N 3.13Å
331	T	41.2	Very low	51.3	Low	85 Å²	85	87.3 Å²	87.3	52%	0.521	49%	0.491	S	S	.	.	H	α-helix	trans	-65.2	-23.8	177.5	51.5	0	0	0	0	113.3	K328 S334 A335	K328-T331 PolarHBondContact O-OG1 2.99Å; K328-T331 VanDerWaalsContact O-OG1 3.11Å; T331-S334 PolarHBondContact O-OG 3.46Å; T331-A335 WeakPolarHBondContact O-CB 3.49Å; T331-A335 PolarHBondContact O-N 2.85Å
332	F	35.4	Very low	48.2	Very low	160 Å²	160	95.1 Å²	95.1	70%	0.702	53%	0.525	S	S	*	.	H	α-helix	trans	-77.3	-26.3	174.9	-77.8	-78.3	0	0	0	112.6	K328 I329 D330 S336	K328-F332 WeakPolarHBondContact O-CD2 3.21Å; I329-F332 PolarHBondContact O-N 2.7Å; D330-F332 PolarHBondContact O-N 3.12Å; F332-S336 PolarHBondContact O-N 3.49Å
333	V	34.9	Very low	44.9	Very low	100 Å²	100	100.1 Å²	100.1	61%	0.606	57%	0.566	S	S	*	*	H	α-helix	trans	-73.2	-40.6	175.6	-176.5	0	0	0	0	109.9	D330 S336	D330-V333 PolarHBondContact O-N 2.88Å; D330-V333 VanDerWaalsContact O-N 3.07Å; V333-S336 PolarHBondContact O-OG 3.08Å
334	S	33.9	Very low	42	Very low	82 Å²	82	104.3 Å²	104.3	57%	0.573	60%	0.598	S	S	*	*	H	α-helix	trans	-74.1	-31.7	178.8	58.6	0	0	0	0	114.5	D330 T331 S337	D330-S334 PolarHBondContact O-N 3.13Å; T331-S334 PolarHBondContact O-OG 3.46Å; S334-S337 PolarHBondContact O-OG 3Å
335	A	28.1	Very low	38.9	Very low	67 Å²	67	107.6 Å²	107.6	55%	0.554	62%	0.624	S	S	*	*	H	α-helix	trans	-79.2	-17.2	-179.8	0	0	0	0	0	114.2	T331 S337	T331-A335 WeakPolarHBondContact O-CB 3.49Å; T331-A335 PolarHBondContact O-N 2.85Å; A335-S337 PolarHBondContact O-N 2.89Å
336	S	29.4	Very low	36.2	Very low	91 Å²	91	111.3 Å²	111.3	64%	0.636	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	-9.1	-174.8	66.6	0	0	0	0	114.8	F332 V333	F332-S336 PolarHBondContact O-N 3.49Å; V333-S336 PolarHBondContact O-OG 3.08Å
337	S	31.1	Very low	34.5	Very low	100 Å²	100	116.3 Å²	116.3	70%	0.699	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.5	-6.9	179.3	50.3	0	0	0	0	115.6	S334 A335	S334-S337 PolarHBondContact O-OG 3Å; A335-S337 PolarHBondContact O-N 2.89Å
338	E	28	Very low	33.3	Very low	186 Å²	186	118.9 Å²	118.9	87%	0.869	70%	0.695	S	S	*	*	S	Bend	trans	-117.8	4.7	-176.3	-69.6	-173	163.3	0	0	114.7
339	G	24.9	Very low	32.1	Very low	67 Å²	67	119.5 Å²	119.5	69%	0.691	70%	0.7	S	S	*	*			trans	-108.6	31.5	-170.6	0	0	0	0	0	116.5
340	Q	29	Very low	31.5	Very low	180 Å²	180	122.1 Å²	122.1	84%	0.841	72%	0.715	S	S	*	*			trans	-129.7	82.3	173.6	-71.8	-169.7	-5.3	0	0	110.2
341	N	25	Very low	31.3	Very low	167 Å²	167	123.8 Å²	123.8	89%	0.893	73%	0.729	S	S	*	*			trans	-173.6	63.4	157.8	-92.1	-19.8	0	0	0	110.4
342	K	27.7	Very low	31.4	Very low	211 Å²	211	124 Å²	124	92%	0.917	73%	0.733	S	S	*	*			trans	-140.9	117.4	157.3	-76.2	-165.1	177.7	175.3	0	110.4
343	A	22.9	Very low	31.7	Very low	106 Å²	106	123.3 Å²	123.3	88%	0.876	73%	0.734	S	S	*	*			trans	-66.5	145.1	179.6	0	0	0	0	0	112.9
344	S	30.6	Very low	32.3	Very low	105 Å²	105	121.7 Å²	121.7	73%	0.734	73%	0.727	S	S	*	*			trans	-151	101.1	150.9	44.7	0	0	0	0	105.9
345	S	25.3	Very low	32.7	Very low	100 Å²	100	122.1 Å²	122.1	70%	0.699	72%	0.722	S	S	*	*				56.5	90.2	102.4	66.3	0	0	0	0	111.5
346	S	27.6	Very low	33	Very low	102 Å²	102	124.6 Å²	124.6	71%	0.713	73%	0.725	S	S	*	*				70.6	87.1	96.3	69.9	0	0	0	0	113.4
347	D	33.7	Very low	33.6	Very low	164 Å²	164	123.8 Å²	123.8	88%	0.877	72%	0.72	S	S	*	*			trans	-135.1	99.4	149.8	-84.6	-34.2	0	0	0	107.6	E349	D347-E349 PolarHBondContact O-N 3.36Å; D347-E349 VanDerWaalsContact O-N 3.14Å
348	T	34.9	Very low	34.1	Very low	134 Å²	134	125.8 Å²	125.8	82%	0.822	72%	0.718	S	S	*	*			trans	-76.5	90.3	178.8	48.4	0	0	0	0	109.3
349	E	34.1	Very low	34.5	Very low	177 Å²	177	125.2 Å²	125.2	83%	0.827	71%	0.713	S	S	*	*			trans	-86.5	111.4	159.4	-69.8	-171.3	169.8	0	0	108.5	D347 P351	D347-E349 PolarHBondContact O-N 3.36Å; D347-E349 VanDerWaalsContact O-N 3.14Å; E349-P351 WeakPolarHBondContact O-CD 3.44Å
350	D	38.8	Very low	34.9	Very low	126 Å²	126	126.3 Å²	126.3	67%	0.674	71%	0.709	S	S	*	*			trans	-56.5	120.1	-179.5	-85.1	-32.9	0	0	0	110.8	C352 M353	D350-C352 PolarHBondContact O-N 3.3Å; D350-M353 PolarHBondContact O-N 3.49Å
351	P	41.1	Very low	35.1	Very low	89 Å²	89	124.6 Å²	124.6	58%	0.578	70%	0.699	S	S	*	*	H	α-helix	trans	-62.3	-21	-169.9	20.5	-31.5	0	0	0	113.6	E349 M353 I355	E349-P351 WeakPolarHBondContact O-CD 3.44Å; P351-M353 PolarHBondContact O-N 2.98Å; P351-I355 WeakPolarHBondContact O-CG1 3.29Å; P351-I355 PolarHBondContact O-N 2.65Å
352	C	43.2	Very low	35.4	Very low	90 Å²	90	122.2 Å²	122.2	61%	0.608	69%	0.693	S	S	*	*	H	α-helix	trans	-66.9	-35.2	-179.7	-71.8	0	0	0	0	113.5	D350 I355 L356	D350-C352 PolarHBondContact O-N 3.3Å; C352-I355 PolarHBondContact O-N 3.27Å; C352-L356 WeakPolarHBondContact O-CG 3.46Å; C352-L356 PolarHBondContact O-N 3.47Å; C352-L356 VanDerWaalsContact O-N 3.16Å
353	M	41	Very low	35.8	Very low	145 Å²	145	120.3 Å²	120.3	71%	0.714	69%	0.693	S	S	*	*	H	α-helix	trans	-74.3	-33	-179.9	-80.7	-62.6	-139.3	0	0	112.5	D350 P351 S357	D350-M353 PolarHBondContact O-N 3.49Å; P351-M353 PolarHBondContact O-N 2.98Å; M353-S357 PolarHBondContact O-N 3.34Å
354	S	48.9	Very low	36.6	Very low	67 Å²	67	121.4 Å²	121.4	47%	0.469	68%	0.678	S	S	.	*	H	α-helix	trans	-60.3	-45.9	172.1	167.2	0	0	0	0	111.4	S357	S354-S357 PolarHBondContact O-N 3.43Å; S354-S357 PolarHBondContact O-OG 3.4Å
355	I	42.2	Very low	37.2	Very low	91 Å²	91	119.5 Å²	119.5	47%	0.467	68%	0.675	S	S	.	*	H	α-helix	trans	-67.7	-43.4	-177.8	-65.6	167.3	0	0	0	111.4	P351 C352 S357 Q358 F359	P351-I355 WeakPolarHBondContact O-CG1 3.29Å; P351-I355 PolarHBondContact O-N 2.65Å; C352-I355 PolarHBondContact O-N 3.27Å; I355-S357 VanDerWaalsContact C-N 3.26Å; I355-S357 PolarHBondContact O-N 2.98Å; I355-Q358 PolarHBondContact O-N 3.48Å; I355-F359 HydrophobicContact CG2-CE2 3.96Å; I355-F359 WeakPolarHBondContact O-CD2 3.26Å
356	L	33.7	Very low	38.6	Very low	119 Å²	119	118.8 Å²	118.8	62%	0.623	66%	0.663	S	S	*	*	H	α-helix	trans	-64.4	-30.2	-179.6	-75.9	167	0	0	0	113	C352 Q358	C352-L356 WeakPolarHBondContact O-CG 3.46Å; C352-L356 PolarHBondContact O-N 3.47Å; C352-L356 VanDerWaalsContact O-N 3.16Å; L356-Q358 PolarHBondContact O-N 3.45Å
357	S	42.6	Very low	40.1	Very low	74 Å²	74	122 Å²	122	52%	0.517	66%	0.66	S	S	.	*	H	α-helix	trans	-70.1	-18.7	178.1	81	0	0	0	0	114.2	M353 S354 I355	M353-S357 PolarHBondContact O-N 3.34Å; S354-S357 PolarHBondContact O-N 3.43Å; S354-S357 PolarHBondContact O-OG 3.4Å; I355-S357 VanDerWaalsContact C-N 3.26Å; I355-S357 PolarHBondContact O-N 2.98Å
358	Q	41.9	Very low	41.4	Very low	141 Å²	141	116.8 Å²	116.8	66%	0.659	63%	0.629	S	S	*	*	H	α-helix	trans	-80.8	-26.4	-175.5	-68.1	-174.8	5.7	0	0	113.3	I355 L356	I355-Q358 PolarHBondContact O-N 3.48Å; L356-Q358 PolarHBondContact O-N 3.45Å
359	F	36	Very low	42.2	Very low	175 Å²	175	115.5 Å²	115.5	77%	0.768	62%	0.616	S	S	*	*	S	Bend	trans	-90.8	-10	-173.7	-67.3	-76.8	0	0	0	114.8	I355	I355-F359 HydrophobicContact CG2-CE2 3.96Å; I355-F359 WeakPolarHBondContact O-CD2 3.26Å
360	S	32.3	Very low	43.6	Very low	89 Å²	89	111.7 Å²	111.7	62%	0.622	61%	0.609	S	S	*	*	S	Bend	trans	-102.4	12.3	-167.8	71.1	0	0	0	0	117
361	K	32.8	Very low	45.1	Very low	145 Å²	145	107.6 Å²	107.6	63%	0.63	59%	0.586	S	S	*	*			trans	-117.3	126.5	-177.5	-69.1	-173.5	-179.3	176.7	0	114.6
362	P	31.8	Very low	46.6	Very low	116 Å²	116	109.7 Å²	109.7	75%	0.753	59%	0.586	S	S	*	*			trans	-72.8	141.2	-174.6	30.7	-33.8	0	0	0	111.6	K364	P362-K364 VanDerWaalsContact C-N 3.33Å; P362-K364 PolarHBondContact O-N 3.13Å
363	N	35.9	Very low	47.7	Very low	172 Å²	172	109.6 Å²	109.6	92%	0.92	58%	0.577	S	S	*	*			trans	15.2	63.5	167.7	-79.5	-10	0	0	0	116.2	G365	N363-G365 PolarHBondContact O-N 3.11Å
364	K	40.4	Very low	49.3	Very low	128 Å²	128	108.5 Å²	108.5	56%	0.557	57%	0.574	S	S	*	*			trans	-67.8	123.1	166.4	-82.6	-173.7	172.5	-172.9	0	107.8	P362	P362-K364 VanDerWaalsContact C-N 3.33Å; P362-K364 PolarHBondContact O-N 3.13Å
365	G	44.1	Very low	50.6	Low	66 Å²	66	110.5 Å²	110.5	68%	0.68	58%	0.576	S	S	*	*			trans	-47.1	142	169.7	0	0	0	0	0	111.1	N363 R367	N363-G365 PolarHBondContact O-N 3.11Å; G365-R367 PolarHBondContact O-N 2.9Å
366	D	53.1	Low	52	Low	85 Å²	85	106.8 Å²	106.8	46%	0.455	56%	0.556	S	S	.	*			trans	-36.8	107.3	-176.3	-68.4	-20.7	0	0	0	111.5	F368 M369 R386	D366-F368 PolarHBondContact O-N 3.05Å; D366-M369 HydrophobicContact CB-CB 4.39Å; D366-M369 VanDerWaalsContact O-CB 3.28Å; D366-M369 WeakPolarHBondContact O-CB 3.32Å; D366-M369 PolarHBondContact O-N 3.31Å; D366-R386 IonicContact OD2-CZ 3.26Å; D366-R386 IonicContact OD2-NH1 3.55Å; D366-R386 PolarHBondContact OD2-NH1 3.47Å
367	R	59.6	Low	53.7	Low	169 Å²	169	105.9 Å²	105.9	64%	0.638	55%	0.552	S	S	*	*	G	3₁₀ helix	trans	-54.9	-28.7	-177	-65.2	-176.1	-173.3	-177.5	3.3	113.1	G365 M369 S370	G365-R367 PolarHBondContact O-N 2.9Å; R367-M369 PolarHBondContact O-N 3.48Å; R367-S370 PolarHBondContact O-OG 3.44Å
368	F	61.3	Low	55.2	Low	54 Å²	54	110 Å²	110	24%	0.237	56%	0.563	C	S	.	*	G	3₁₀ helix	trans	-65.2	-20.4	177.5	-52.7	-69.7	0	0	0	113.7	D366 S370 M371 V379 R385 R386	D366-F368 PolarHBondContact O-N 3.05Å; F368-S370 VanDerWaalsContact C-N 3.28Å; F368-S370 PolarHBondContact O-N 3.26Å; F368-M371 HydrophobicContact CD1-SD 4.26Å; F368-V379 HydrophobicContact CE1-CG1 4.24Å; F368-R385 HydrophobicContact CD1-CB 4.31Å; F368-R385 HydrophobicContact CD2-CB 4.43Å; F368-R385 HydrophobicContact CE1-CB 4.24Å; F368-R385 HydrophobicContact CE2-CB 4.35Å; F368-R385 HydrophobicContact CG-CB 4.4Å; F368-R385 HydrophobicContact CZ-CB 4.26Å; F368-R386 HydrophobicContact CB-CB 4.3Å
369	M	52	Low	56.6	Low	108 Å²	108	105.5 Å²	105.5	53%	0.532	55%	0.545	S	S	.	.	G	3₁₀ helix	trans	-76.8	-11.6	-174.4	-138.7	-163.9	-156.3	0	0	113.7	D366 R367 T389	D366-M369 HydrophobicContact CB-CB 4.39Å; D366-M369 VanDerWaalsContact O-CB 3.28Å; D366-M369 WeakPolarHBondContact O-CB 3.32Å; D366-M369 PolarHBondContact O-N 3.31Å; R367-M369 PolarHBondContact O-N 3.48Å; M369-T389 WeakPolarHBondContact O-CG2 3.19Å
370	S	63.2	Low	57.9	Low	97 Å²	97	101.9 Å²	101.9	68%	0.678	54%	0.539	S	S	*	.	S	Bend	trans	-107.4	-9.5	176.5	56.5	0	0	0	0	113.5	R367 F368	R367-S370 PolarHBondContact O-OG 3.44Å; F368-S370 VanDerWaalsContact C-N 3.28Å; F368-S370 PolarHBondContact O-N 3.26Å
371	M	70	Confident	59	Low	40 Å²	40	103.7 Å²	103.7	20%	0.197	54%	0.541	C	S	.	.			trans	-77.8	138.8	-174.3	-72.3	172	169.5	0	0	111.9	F368 E375 W376 V379 P388 T389	F368-M371 HydrophobicContact CD1-SD 4.26Å; M371-E375 HydrophobicContact CB-CB 4.44Å; M371-E375 HydrophobicContact CG-CB 4.46Å; M371-W376 HydrophobicContact CB-CB 4.21Å; M371-V379 HydrophobicContact CE-CG2 4.19Å; M371-V379 HydrophobicContact SD-CG2 4.33Å; M371-P388 WeakPolarHBondContact O-CB 3.21Å; M371-T389 PolarHBondContact O-N 3.01Å; M371-T389 PolarHBondContact O-OG1 2.95Å
372	K	73.5	Confident	60	Low	133 Å²	133	103 Å²	103	58%	0.578	55%	0.549	S	S	*	.			trans	-76.8	164.3	165.4	-71.6	-170.4	178	178.5	0	110.7	N374 E375 W376 D390	K372-N374 VanDerWaalsContact C-N 3.27Å; K372-N374 PolarHBondContact O-N 2.74Å; K372-E375 PolarHBondContact O-N 3.41Å; K372-W376 VanDerWaalsContact O-CB 3.32Å; K372-W376 WeakPolarHBondContact O-CB 3.43Å; K372-W376 PolarHBondContact O-N 3.43Å; K372-D390 WeakPolarHBondContact CA-OD2 3.2Å; K372-D390 VanDerWaalsContact CB-OD2 3.31Å; K372-D390 WeakPolarHBondContact CB-OD2 2.97Å; K372-D390 WeakPolarHBondContact CG-OD2 3.26Å
373	M	66.2	Low	61.2	Low	88 Å²	88	99.7 Å²	99.7	43%	0.433	54%	0.537	S	S	.	.	H	α-helix	trans	-52	-41.8	-175.8	-178.8	-175.4	177.2	0	0	113.7	W376 L377 D390	M373-W376 PolarHBondContact O-N 2.89Å; M373-L377 HydrophobicContact CE-CD1 3.92Å; M373-L377 HydrophobicContact CG-CD1 4.08Å; M373-L377 WeakPolarHBondContact O-CG 3.41Å; M373-L377 PolarHBondContact O-N 3.26Å; M373-L377 VanDerWaalsContact O-N 3.11Å; M373-D390 PolarHBondContact N-OD2 3.37Å; M373-D390 VanDerWaalsContact N-OD2 3.13Å
374	N	73.7	Confident	61.9	Low	121 Å²	121	96.3 Å²	96.3	65%	0.647	53%	0.526	S	S	*	.	H	α-helix	trans	-68.9	-50.4	-175.1	-64.9	-9	0	0	0	111.7	K372 W376 L377 E378	K372-N374 VanDerWaalsContact C-N 3.27Å; K372-N374 PolarHBondContact O-N 2.74Å; N374-W376 PolarHBondContact O-N 3.32Å; N374-L377 PolarHBondContact O-N 2.81Å; N374-E378 PolarHBondContact O-N 2.83Å
375	E	75.3	Confident	63.1	Low	110 Å²	110	92.4 Å²	92.4	51%	0.514	51%	0.508	S	S	.	.	H	α-helix	trans	-60.5	-35.9	174.6	-70	176.9	166.7	0	0	111.8	M371 K372 L377 E378	M371-E375 HydrophobicContact CB-CB 4.44Å; M371-E375 HydrophobicContact CG-CB 4.46Å; K372-E375 PolarHBondContact O-N 3.41Å; E375-L377 VanDerWaalsContact C-N 3.34Å; E375-L377 PolarHBondContact O-N 3.31Å; E375-E378 PolarHBondContact O-N 3.22Å
376	W	72.9	Confident	64	Low	12 Å²	12	92.3 Å²	92.3	5%	0.045	49%	0.487	C	S	.	.	H	α-helix	trans	-68.5	-32	-179.6	-174.2	94.5	0	0	0	113.2	M371 K372 M373 N374 R385 R386 P388	M371-W376 HydrophobicContact CB-CB 4.21Å; K372-W376 VanDerWaalsContact O-CB 3.32Å; K372-W376 WeakPolarHBondContact O-CB 3.43Å; K372-W376 PolarHBondContact O-N 3.43Å; M373-W376 PolarHBondContact O-N 2.89Å; N374-W376 PolarHBondContact O-N 3.32Å; W376-R385 VanDerWaalsContact CH2-NE 3.27Å; W376-R385 HydrophobicContact CZ2-CG 3.78Å; W376-R385 VanDerWaalsContact CZ2-NE 3.3Å; W376-R386 PolarHBondContact NE1-O 3.5Å; W376-P388 HydrophobicContact CB-CB 4.19Å; W376-P388 HydrophobicContact CD2-CG 4.36Å; W376-P388 HydrophobicContact CG-CB 4.12Å; W376-P388 HydrophobicContact CG-CG 4.3Å
377	L	68.7	Low	64.3	Low	100 Å²	100	88.6 Å²	88.6	52%	0.524	47%	0.469	S	S	.	.	H	α-helix	trans	-76.1	-27	178.6	-77	169.3	0	0	0	113	M373 N374 E375 V379	M373-L377 HydrophobicContact CE-CD1 3.92Å; M373-L377 HydrophobicContact CG-CD1 4.08Å; M373-L377 WeakPolarHBondContact O-CG 3.41Å; M373-L377 PolarHBondContact O-N 3.26Å; M373-L377 VanDerWaalsContact O-N 3.11Å; N374-L377 PolarHBondContact O-N 2.81Å; E375-L377 VanDerWaalsContact C-N 3.34Å; E375-L377 PolarHBondContact O-N 3.31Å; L377-V379 VanDerWaalsContact C-N 3.28Å; L377-V379 PolarHBondContact O-N 3.2Å
378	E	75.2	Confident	64.7	Low	160 Å²	160	80.6 Å²	80.6	75%	0.748	44%	0.438	S	S	*	.	H	α-helix	trans	-72.9	-20.9	178.1	-70	176.2	178.1	0	0	112.8	N374 E375 P380	N374-E378 PolarHBondContact O-N 2.83Å; E375-E378 PolarHBondContact O-N 3.22Å; E378-P380 WeakPolarHBondContact O-CD 3.16Å
379	V	70.9	Confident	64.9	Low	48 Å²	48	80.6 Å²	80.6	29%	0.291	44%	0.443	S	S	.	.	S	Bend	trans	-80.2	123	-178.7	-178.2	0	0	0	0	111.1	F368 M371 L377	F368-V379 HydrophobicContact CE1-CG1 4.24Å; M371-V379 HydrophobicContact CE-CG2 4.19Å; M371-V379 HydrophobicContact SD-CG2 4.33Å; L377-V379 VanDerWaalsContact C-N 3.28Å; L377-V379 PolarHBondContact O-N 3.2Å
380	P	63.3	Low	65.5	Low	99 Å²	99	79.4 Å²	79.4	64%	0.643	44%	0.439	S	S	*	.			trans	-64.1	147.1	177.4	24.8	-32.7	0	0	0	112.4	E378 T382	E378-P380 WeakPolarHBondContact O-CD 3.16Å; P380-T382 PolarHBondContact O-N 3.06Å; P380-T382 VanDerWaalsContact O-N 3.08Å
381	L	55.1	Low	65.2	Low	126 Å²	126	77.2 Å²	77.2	66%	0.66	42%	0.416	S	S	*	.			trans	-72	97.3	179.2	-86.3	130.8	0	0	0	111.1
382	T	54	Low	64.6	Low	130 Å²	130	79.1 Å²	79.1	80%	0.798	42%	0.423	S	S	*	.			trans	-103.9	-3.7	174.4	53.2	0	0	0	0	113.8	P380	P380-T382 PolarHBondContact O-N 3.06Å; P380-T382 VanDerWaalsContact O-N 3.08Å
383	G	57.8	Low	63.4	Low	48 Å²	48	74.6 Å²	74.6	50%	0.495	41%	0.408	S	S	.	.	S	Bend	trans	172.4	-160.7	178.9	0	0	0	0	0	113.9	R385	G383-R385 PolarHBondContact O-N 3.48Å; G383-R385 VanDerWaalsContact O-N 3.11Å
384	S	50.8	Low	62.7	Low	101 Å²	101	76.8 Å²	76.8	71%	0.706	43%	0.429	S	S	*	.			trans	-64.7	112.2	176.7	60.7	0	0	0	0	110.6
385	R	63.9	Low	61.3	Low	46 Å²	46	78.8 Å²	78.8	17%	0.174	43%	0.434	C	S	.	.			trans	-108.1	145.6	177.6	61.7	-179.1	-177.1	177.6	1.5	111.5	F368 W376 G383	F368-R385 HydrophobicContact CD1-CB 4.31Å; F368-R385 HydrophobicContact CD2-CB 4.43Å; F368-R385 HydrophobicContact CE1-CB 4.24Å; F368-R385 HydrophobicContact CE2-CB 4.35Å; F368-R385 HydrophobicContact CG-CB 4.4Å; F368-R385 HydrophobicContact CZ-CB 4.26Å; W376-R385 VanDerWaalsContact CH2-NE 3.27Å; W376-R385 HydrophobicContact CZ2-CG 3.78Å; W376-R385 VanDerWaalsContact CZ2-NE 3.3Å; G383-R385 PolarHBondContact O-N 3.48Å; G383-R385 VanDerWaalsContact O-N 3.11Å
386	R	63.9	Low	59.5	Low	63 Å²	63	81.4 Å²	81.4	24%	0.238	44%	0.444	C	S	.	.	P	Polyproline II helix	trans	-89.2	148.5	177.6	-138.5	165	178.9	174	-9.5	109.9	D366 F368 W376 R439	D366-R386 IonicContact OD2-CZ 3.26Å; D366-R386 IonicContact OD2-NH1 3.55Å; D366-R386 PolarHBondContact OD2-NH1 3.47Å; F368-R386 HydrophobicContact CB-CB 4.3Å; W376-R386 PolarHBondContact NE1-O 3.5Å; R386-R439 HydrophobicContact CG-CG 4.35Å
387	A	59.7	Low	57.9	Low	8 Å²	8	84.3 Å²	84.3	7%	0.066	47%	0.466	C	S	.	.	P	Polyproline II helix	trans	-59.4	144.8	175.6	0	0	0	0	0	112.1	W391 F392	A387-W391 HydrophobicContact CB-CD2 4.36Å; A387-W391 HydrophobicContact CB-CE3 3.41Å; A387-W391 VanDerWaalsContact CB-CE3 3.41Å; A387-W391 HydrophobicContact CB-CZ3 3.69Å; A387-F392 HydrophobicContact CB-CE2 4.09Å; A387-F392 HydrophobicContact CB-CZ 4.3Å
388	P	67.6	Low	56.4	Low	0 Å²	0	90.1 Å²	90.1	0%	0	49%	0.487	C	S	.	.	P	Polyproline II helix	trans	-66.4	161.1	179.2	27.5	-34.2	0	0	0	112.5	M371 W376 D390 W391	M371-P388 WeakPolarHBondContact O-CB 3.21Å; W376-P388 HydrophobicContact CB-CB 4.19Å; W376-P388 HydrophobicContact CD2-CG 4.36Å; W376-P388 HydrophobicContact CG-CB 4.12Å; W376-P388 HydrophobicContact CG-CG 4.3Å; P388-D390 PolarHBondContact O-N 3.37Å; P388-W391 HydrophobicContact CG-CD2 3.88Å; P388-W391 HydrophobicContact CG-CG 4.02Å; P388-W391 HydrophobicContact CG-CZ2 4.24Å; P388-W391 PolarHBondContact O-N 3.35Å
389	T	65.3	Low	54.8	Low	55 Å²	55	87.7 Å²	87.7	34%	0.337	48%	0.483	S	S	.	.	G	3₁₀ helix	trans	-63.9	-40.5	-175.7	48.7	0	0	0	0	113.2	M369 M371 W391 F392	M369-T389 WeakPolarHBondContact O-CG2 3.19Å; M371-T389 PolarHBondContact O-N 3.01Å; M371-T389 PolarHBondContact O-OG1 2.95Å; T389-W391 PolarHBondContact O-N 2.92Å; T389-F392 PolarHBondContact O-N 2.94Å
390	D	64	Low	53.2	Low	83 Å²	83	89.2 Å²	89.2	44%	0.444	49%	0.493	S	S	.	.	G	3₁₀ helix	trans	-59.2	-17.1	-177.3	-62.2	-33.2	0	0	0	113.1	K372 M373 P388 F392	K372-D390 WeakPolarHBondContact CA-OD2 3.2Å; K372-D390 VanDerWaalsContact CB-OD2 3.31Å; K372-D390 WeakPolarHBondContact CB-OD2 2.97Å; K372-D390 WeakPolarHBondContact CG-OD2 3.26Å; M373-D390 PolarHBondContact N-OD2 3.37Å; M373-D390 VanDerWaalsContact N-OD2 3.13Å; P388-D390 PolarHBondContact O-N 3.37Å; D390-F392 VanDerWaalsContact C-N 3.27Å; D390-F392 PolarHBondContact O-N 2.69Å
391	W	58.6	Low	52.3	Low	51 Å²	51	86.2 Å²	86.2	19%	0.193	48%	0.476	C	S	.	.	G	3₁₀ helix	trans	-75.1	-13.9	175.4	-72.1	6	0	0	0	113.6	A387 P388 T389 P403 H404 L407	A387-W391 HydrophobicContact CB-CD2 4.36Å; A387-W391 HydrophobicContact CB-CE3 3.41Å; A387-W391 VanDerWaalsContact CB-CE3 3.41Å; A387-W391 HydrophobicContact CB-CZ3 3.69Å; P388-W391 HydrophobicContact CG-CD2 3.88Å; P388-W391 HydrophobicContact CG-CG 4.02Å; P388-W391 HydrophobicContact CG-CZ2 4.24Å; P388-W391 PolarHBondContact O-N 3.35Å; T389-W391 PolarHBondContact O-N 2.92Å; W391-P403 CarbonylContact O-C 3.57Å; W391-P403 WeakPolarHBondContact O-CA 3.26Å; W391-P403 WeakPolarHBondContact O-CB 3.47Å; W391-H404 PolarHBondContact O-N 3.31Å; W391-L407 HydrophobicContact CE3-CD1 3.89Å; W391-L407 HydrophobicContact CE3-CD2 4.45Å; W391-L407 HydrophobicContact CE3-CG 4.5Å; W391-L407 HydrophobicContact CH2-CD2 4.11Å; W391-L407 HydrophobicContact CZ3-CD1 3.75Å; W391-L407 HydrophobicContact CZ3-CD2 3.76Å; W391-L407 HydrophobicContact CZ3-CG 4.23Å
392	F	55.5	Low	51.8	Low	79 Å²	79	89.5 Å²	89.5	35%	0.346	48%	0.48	S	S	.	.	B	Isolated β-bridge	trans	-113.4	133.1	-178.4	-57.5	-81.7	0	0	0	111.1	A387 T389 D390 A401 P403	A387-F392 HydrophobicContact CB-CE2 4.09Å; A387-F392 HydrophobicContact CB-CZ 4.3Å; T389-F392 PolarHBondContact O-N 2.94Å; D390-F392 VanDerWaalsContact C-N 3.27Å; D390-F392 PolarHBondContact O-N 2.69Å; F392-A401 HydrophobicContact CB-CB 4.24Å; F392-A401 HydrophobicContact CD1-CB 4.37Å; F392-P403 HydrophobicContact CD1-CB 4.3Å; F392-P403 HydrophobicContact CE1-CB 4.35Å
393	S	50.1	Low	51.5	Low	38 Å²	38	84.6 Å²	84.6	27%	0.266	45%	0.45	S	S	.	.			trans	-64.3	132.4	173.2	-52.8	0	0	0	0	110.5	E395	S393-E395 PolarHBondContact O-N 3.39Å
394	P	50.9	Low	50.9	Low	134 Å²	134	89.3 Å²	89.3	87%	0.87	46%	0.459	S	S	*	.	S	Bend	trans	-68.8	-26.4	178.2	25.4	-31.8	0	0	0	112.2	K396	P394-K396 PolarHBondContact O-N 2.95Å
395	E	43.2	Very low	50.7	Low	163 Å²	163	88.5 Å²	88.5	76%	0.762	45%	0.45	S	S	*	.	S	Bend	trans	-87.5	94.6	-176.9	-67.2	-177.3	178.7	0	0	111.4	S393	S393-E395 PolarHBondContact O-N 3.39Å
396	K	39.4	Very low	50	Low	165 Å²	165	89.5 Å²	89.5	72%	0.717	46%	0.462	S	S	*	.	S	Bend	trans	140.2	118.4	149.2	-77.1	162.6	-175.3	-179.6	0	110.4	P394	P394-K396 PolarHBondContact O-N 2.95Å
397	S	38.3	Very low	49.6	Very low	73 Å²	73	88.7 Å²	88.7	51%	0.51	46%	0.463	S	S	.	.			trans	27.7	114.9	166.7	56.7	0	0	0	0	116.3	T399 T400	S397-T399 PolarHBondContact O-N 2.81Å; S397-T400 PolarHBondContact O-N 3.28Å; S397-T400 PolarHBondContact OG-OG1 3.22Å
398	K	37.8	Very low	49.5	Very low	222 Å²	222	88.6 Å²	88.6	97%	0.965	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-39.6	-19.9	178.4	-72.7	179.6	175.3	176.5	0	116.6
399	T	40	Very low	49.1	Very low	109 Å²	109	93 Å²	93	67%	0.669	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-17.2	-179.8	51.8	0	0	0	0	115.3	S397	S397-T399 PolarHBondContact O-N 2.81Å
400	T	39.2	Very low	48.7	Very low	81 Å²	81	96.2 Å²	96.2	50%	0.497	49%	0.492	S	S	.	.			trans	-140.9	31.8	-169.9	59.6	0	0	0	0	114.4	S397 R402	S397-T400 PolarHBondContact O-N 3.28Å; S397-T400 PolarHBondContact OG-OG1 3.22Å; T400-R402 PolarHBondContact O-N 2.83Å; T400-R402 VanDerWaalsContact O-N 3.07Å
401	A	42.7	Very low	48.6	Very low	35 Å²	35	101.4 Å²	101.4	29%	0.289	51%	0.506	S	S	.	.	P	Polyproline II helix	trans	-58.6	116.4	173.8	0	0	0	0	0	109.9	F392	F392-A401 HydrophobicContact CB-CB 4.24Å; F392-A401 HydrophobicContact CD1-CB 4.37Å
402	R	45.2	Very low	48.9	Very low	196 Å²	196	100 Å²	100	74%	0.74	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-72.2	126	173.1	-73.1	-177.1	176.9	-178.2	-0.7	107.7	T400	T400-R402 PolarHBondContact O-N 2.83Å; T400-R402 VanDerWaalsContact O-N 3.07Å
403	P	48.1	Very low	49.4	Very low	27 Å²	27	99.6 Å²	99.6	18%	0.175	50%	0.502	C	S	.	.	B	Isolated β-bridge	trans	-70.3	144.2	174.4	29.4	-33.9	0	0	0	110.3	W391 F392 V405 R438	W391-P403 CarbonylContact O-C 3.57Å; W391-P403 WeakPolarHBondContact O-CA 3.26Å; W391-P403 WeakPolarHBondContact O-CB 3.47Å; F392-P403 HydrophobicContact CD1-CB 4.3Å; F392-P403 HydrophobicContact CE1-CB 4.35Å; P403-V405 PolarHBondContact O-N 2.95Å; P403-R438 VanDerWaalsContact CD-NH1 3.33Å
404	H	45.6	Very low	50.1	Low	146 Å²	146	97.9 Å²	97.9	68%	0.676	49%	0.49	S	S	*	.	S	Bend	trans	-65	-27.2	176.5	-116.5	-74.5	0	0	0	112.3	W391	W391-H404 PolarHBondContact O-N 3.31Å
405	V	46	Very low	50.7	Low	85 Å²	85	92 Å²	92	52%	0.515	45%	0.451	S	S	.	.	S	Bend	trans	-122.6	114.7	-179.9	-173.7	0	0	0	0	109.1	P403 L407	P403-V405 PolarHBondContact O-N 2.95Å; V405-L407 PolarHBondContact O-N 2.7Å
406	P	48.6	Very low	51.6	Low	67 Å²	67	91.4 Å²	91.4	44%	0.435	44%	0.442	S	S	.	.			trans	-69.3	98.1	171.8	29	-32.2	0	0	0	108.6	I408 Q410	P406-I408 WeakPolarHBondContact CB-O 3.39Å; P406-I408 CarbonylContact O-C 3.58Å; P406-I408 PolarHBondContact O-N 2.72Å; P406-I408 VanDerWaalsContact O-N 3.15Å; P406-Q410 HydrophobicContact CG-CG 4.43Å
407	L	55.6	Low	52.4	Low	46 Å²	46	84.9 Å²	84.9	24%	0.241	42%	0.417	C	S	.	.	S	Bend	trans	-56	-26.8	173.2	-76.2	151.8	0	0	0	111.9	W391 V405 R438	W391-L407 HydrophobicContact CE3-CD1 3.89Å; W391-L407 HydrophobicContact CE3-CD2 4.45Å; W391-L407 HydrophobicContact CE3-CG 4.5Å; W391-L407 HydrophobicContact CH2-CD2 4.11Å; W391-L407 HydrophobicContact CZ3-CD1 3.75Å; W391-L407 HydrophobicContact CZ3-CD2 3.76Å; W391-L407 HydrophobicContact CZ3-CG 4.23Å; V405-L407 PolarHBondContact O-N 2.7Å; L407-R438 HydrophobicContact CD1-CB 4.34Å; L407-R438 HydrophobicContact CD1-CG 4.18Å
408	I	58.7	Low	53.1	Low	5 Å²	5	81.5 Å²	81.5	3%	0.026	39%	0.394	C	S	.	.	S	Bend	trans	-91.4	123.4	169.9	-60.6	-175.4	0	0	0	108.2	P406 Q410 T412 I414 D434 L437 R484	P406-I408 WeakPolarHBondContact CB-O 3.39Å; P406-I408 CarbonylContact O-C 3.58Å; P406-I408 PolarHBondContact O-N 2.72Å; P406-I408 VanDerWaalsContact O-N 3.15Å; I408-Q410 PolarHBondContact O-N 3.3Å; I408-T412 HydrophobicContact CG2-CG2 4.14Å; I408-T412 WeakPolarHBondContact CG2-OG1 3.19Å; I408-I414 HydrophobicContact CD1-CB 4.37Å; I408-I414 HydrophobicContact CD1-CG2 3.75Å; I408-I414 HydrophobicContact CG2-CB 4.36Å; I408-D434 HydrophobicContact CD1-CB 4.2Å; I408-D434 WeakPolarHBondContact CD1-OD1 3.5Å; I408-L437 HydrophobicContact CD1-CD1 4.25Å; I408-R484 VanDerWaalsContact CG1-NH2 3.28Å
409	H	57.4	Low	53.6	Low	92 Å²	92	75.6 Å²	75.6	43%	0.426	37%	0.37	S	S	.	.			trans	-57.7	133.1	177.8	-177.3	-89.3	0	0	0	110.9	R411 T412 S415	H409-R411 PolarHBondContact ND1-N 3.47Å; H409-R411 PolarHBondContact O-N 2.88Å; H409-T412 HydrophobicContact CB-CG2 3.92Å; H409-T412 WeakPolarHBondContact O-CB 3.06Å; H409-T412 WeakPolarHBondContact O-CG2 3.42Å; H409-T412 PolarHBondContact O-N 2.86Å; H409-T412 PolarHBondContact O-OG1 2.83Å; H409-S415 WeakPolarHBondContact O-CB 3.36Å
410	Q	58.2	Low	53.9	Low	123 Å²	123	74.6 Å²	74.6	58%	0.575	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-27.2	-173.2	-76.4	179.5	-12.8	0	0	113.9	P406 I408	P406-Q410 HydrophobicContact CG-CG 4.43Å; I408-Q410 PolarHBondContact O-N 3.3Å
411	R	62.1	Low	53.8	Low	193 Å²	193	74.7 Å²	74.7	73%	0.728	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-1.9	179.9	-56.6	-174.5	178.9	172.4	-4.2	114.8	H409 R416	H409-R411 PolarHBondContact ND1-N 3.47Å; H409-R411 PolarHBondContact O-N 2.88Å; R411-R416 VanDerWaalsContact O-CZ 3.24Å; R411-R416 PolarHBondContact O-NE 3.3Å; R411-R416 PolarHBondContact O-NH2 3.41Å
412	T	64.2	Low	53.8	Low	21 Å²	21	78.5 Å²	78.5	13%	0.129	37%	0.369	C	S	.	.	S	Bend	trans	-69.3	154.1	177.7	58.9	0	0	0	0	110.5	I408 H409 I414 S415 R416 E480	I408-T412 HydrophobicContact CG2-CG2 4.14Å; I408-T412 WeakPolarHBondContact CG2-OG1 3.19Å; H409-T412 HydrophobicContact CB-CG2 3.92Å; H409-T412 WeakPolarHBondContact O-CB 3.06Å; H409-T412 WeakPolarHBondContact O-CG2 3.42Å; H409-T412 PolarHBondContact O-N 2.86Å; H409-T412 PolarHBondContact O-OG1 2.83Å; T412-I414 PolarHBondContact O-N 3.17Å; T412-S415 PolarHBondContact O-N 2.68Å; T412-S415 VanDerWaalsContact OG1-CB 3.29Å; T412-S415 WeakPolarHBondContact OG1-CB 3.11Å; T412-S415 PolarHBondContact OG1-N 2.68Å; T412-S415 VanDerWaalsContact OG1-N 3.13Å; T412-R416 WeakPolarHBondContact O-CB 3.18Å; T412-R416 WeakPolarHBondContact O-CG 3.38Å; T412-R416 PolarHBondContact O-N 3.24Å; T412-E480 WeakPolarHBondContact CG2-OE2 3.31Å
413	E	65.9	Low	53.6	Low	70 Å²	70	72.2 Å²	72.2	33%	0.327	36%	0.355	S	S	.	.	H	α-helix	trans	-60.5	-35.4	174.7	-73.3	168.7	-161.8	0	0	111.4	R416 S417 A476 R479	E413-R416 PolarHBondContact O-N 2.75Å; E413-S417 WeakPolarHBondContact O-CB 3.44Å; E413-S417 PolarHBondContact O-N 2.95Å; E413-S417 PolarHBondContact O-OG 2.93Å; E413-A476 HydrophobicContact CB-CB 3.82Å; E413-R479 IonicContact OE1-NH1 3.5Å; E413-R479 PolarHBondContact OE1-NH1 2.99Å; E413-R479 IonicContact OE2-NH1 2.75Å
414	I	64.9	Low	53.3	Low	3 Å²	3	80 Å²	80	2%	0.015	39%	0.389	C	S	.	.	H	α-helix	trans	-62.3	-44.4	175.2	-52.2	179.4	0	0	0	110.6	I408 T412 G418 Y430 D434 L437 A476 V477 E480	I408-I414 HydrophobicContact CD1-CB 4.37Å; I408-I414 HydrophobicContact CD1-CG2 3.75Å; I408-I414 HydrophobicContact CG2-CB 4.36Å; T412-I414 PolarHBondContact O-N 3.17Å; I414-G418 WeakPolarHBondContact O-CA 3.27Å; I414-G418 PolarHBondContact O-N 3.5Å; I414-Y430 HydrophobicContact CG2-CD1 4.49Å; I414-D434 HydrophobicContact CG2-CB 4.47Å; I414-L437 HydrophobicContact CD1-CD1 3.54Å; I414-A476 HydrophobicContact CG1-CB 3.68Å; I414-V477 HydrophobicContact CD1-CG2 4.28Å; I414-E480 HydrophobicContact CD1-CB 3.7Å; I414-E480 HydrophobicContact CD1-CG 4.02Å
415	S	63.3	Low	53.1	Low	9 Å²	9	76.3 Å²	76.3	6%	0.063	38%	0.377	C	S	.	.	H	α-helix	trans	-70.9	-43	178.6	-166	0	0	0	0	111.9	H409 T412 G418 Q419	H409-S415 WeakPolarHBondContact O-CB 3.36Å; T412-S415 PolarHBondContact O-N 2.68Å; T412-S415 VanDerWaalsContact OG1-CB 3.29Å; T412-S415 WeakPolarHBondContact OG1-CB 3.11Å; T412-S415 PolarHBondContact OG1-N 2.68Å; T412-S415 VanDerWaalsContact OG1-N 3.13Å; S415-G418 PolarHBondContact O-N 2.93Å; S415-Q419 WeakPolarHBondContact O-CA 3.24Å; S415-Q419 WeakPolarHBondContact O-CB 3.31Å; S415-Q419 VanDerWaalsContact O-CG 3.24Å; S415-Q419 WeakPolarHBondContact O-CG 3.2Å; S415-Q419 PolarHBondContact O-N 3.28Å
416	R	62.6	Low	53	Low	152 Å²	152	77.7 Å²	77.7	57%	0.574	38%	0.381	S	S	*	.	H	α-helix	trans	-64.8	-49.8	179	-75.9	-170.7	-98.1	177.2	-5.9	112.4	R411 T412 E413 G418 Q419 S420	R411-R416 VanDerWaalsContact O-CZ 3.24Å; R411-R416 PolarHBondContact O-NE 3.3Å; R411-R416 PolarHBondContact O-NH2 3.41Å; T412-R416 WeakPolarHBondContact O-CB 3.18Å; T412-R416 WeakPolarHBondContact O-CG 3.38Å; T412-R416 PolarHBondContact O-N 3.24Å; E413-R416 PolarHBondContact O-N 2.75Å; R416-G418 VanDerWaalsContact C-N 3.3Å; R416-Q419 PolarHBondContact O-N 3.26Å; R416-S420 PolarHBondContact O-N 3.18Å
417	S	56.6	Low	53.1	Low	27 Å²	27	79.2 Å²	79.2	19%	0.189	39%	0.389	C	S	.	.	H	α-helix	trans	-74.2	-19.4	175.7	66	0	0	0	0	112.8	E413 F421 Y430	E413-S417 WeakPolarHBondContact O-CB 3.44Å; E413-S417 PolarHBondContact O-N 2.95Å; E413-S417 PolarHBondContact O-OG 2.93Å; S417-F421 WeakPolarHBondContact O-CD2 3.46Å; S417-Y430 WeakPolarHBondContact OG-CD1 3.39Å; S417-Y430 WeakPolarHBondContact OG-CE1 3.47Å
418	G	52.3	Low	53.5	Low	2 Å²	2	77.9 Å²	77.9	2%	0.021	38%	0.382	C	S	.	.	H	α-helix	trans	-77.9	-36.3	168.3	0	0	0	0	0	112	I414 S415 R416 S420 F421 Y422	I414-G418 WeakPolarHBondContact O-CA 3.27Å; I414-G418 PolarHBondContact O-N 3.5Å; S415-G418 PolarHBondContact O-N 2.93Å; R416-G418 VanDerWaalsContact C-N 3.3Å; G418-S420 PolarHBondContact O-N 2.8Å; G418-F421 CarbonylContact O-C 3.57Å; G418-F421 WeakPolarHBondContact O-CA 3.47Å; G418-F421 PolarHBondContact O-N 3.3Å; G418-Y422 PolarHBondContact O-N 3.4Å
419	Q	48.7	Very low	54	Low	99 Å²	99	77.7 Å²	77.7	46%	0.463	38%	0.381	S	S	.	.	H	α-helix	trans	-63.1	-42.8	-176.7	-90.2	179.4	-1.1	0	0	113	S415 R416 F421 Y422	S415-Q419 WeakPolarHBondContact O-CA 3.24Å; S415-Q419 WeakPolarHBondContact O-CB 3.31Å; S415-Q419 VanDerWaalsContact O-CG 3.24Å; S415-Q419 WeakPolarHBondContact O-CG 3.2Å; S415-Q419 PolarHBondContact O-N 3.28Å; R416-Q419 PolarHBondContact O-N 3.26Å; Q419-F421 PolarHBondContact O-N 2.65Å; Q419-F421 VanDerWaalsContact O-N 3.09Å; Q419-Y422 HydrophobicContact CB-CD2 4.44Å; Q419-Y422 HydrophobicContact CB-CE2 4.33Å; Q419-Y422 HydrophobicContact CG-CD2 4.2Å; Q419-Y422 HydrophobicContact CG-CE2 3.76Å
420	S	47.1	Very low	54.8	Low	88 Å²	88	73.9 Å²	73.9	62%	0.615	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-4.6	173.2	70.4	0	0	0	0	113.2	R416 G418	R416-S420 PolarHBondContact O-N 3.18Å; G418-S420 PolarHBondContact O-N 2.8Å
421	F	37	Very low	55.4	Low	83 Å²	83	69 Å²	69	36%	0.364	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130	19.9	-175.8	-69	-89.9	0	0	0	114.2	S417 G418 Q419 S423 N428 N431	S417-F421 WeakPolarHBondContact O-CD2 3.46Å; G418-F421 CarbonylContact O-C 3.57Å; G418-F421 WeakPolarHBondContact O-CA 3.47Å; G418-F421 PolarHBondContact O-N 3.3Å; Q419-F421 PolarHBondContact O-N 2.65Å; Q419-F421 VanDerWaalsContact O-N 3.09Å; F421-S423 PolarHBondContact O-N 3.27Å; F421-N428 WeakPolarHBondContact CD1-ND2 3.28Å; F421-N428 WeakPolarHBondContact CG-ND2 3.35Å; F421-N431 PolarHBondContact O-ND2 2.75Å
422	Y	41.9	Very low	56	Low	114 Å²	114	64.6 Å²	64.6	45%	0.447	32%	0.324	S	S	.	.			trans	-69.1	17.7	159.2	-69.6	-64.9	0	0	0	112.3	G418 Q419 R438	G418-Y422 PolarHBondContact O-N 3.4Å; Q419-Y422 HydrophobicContact CB-CD2 4.44Å; Q419-Y422 HydrophobicContact CB-CE2 4.33Å; Q419-Y422 HydrophobicContact CG-CD2 4.2Å; Q419-Y422 HydrophobicContact CG-CE2 3.76Å; Y422-R438 PolarHBondContact OH-NH2 3.08Å
423	S	41.8	Very low	56.7	Low	65 Å²	65	63.6 Å²	63.6	46%	0.455	32%	0.318	S	S	.	.	S	Bend	trans	-63.6	145.6	156.9	70.6	0	0	0	0	108.8	F421 T425	F421-S423 PolarHBondContact O-N 3.27Å; S423-T425 PolarHBondContact O-N 2.89Å; S423-T425 PolarHBondContact OG-OG1 3.01Å
424	Q	41.7	Very low	57.1	Low	191 Å²	191	60.7 Å²	60.7	89%	0.893	31%	0.305	S	S	*	.	S	Bend	trans	-57.9	-0.7	-171	-71.8	158.5	-33	0	0	115.5	L426	Q424-L426 PolarHBondContact O-N 3.26Å
425	T	40.4	Very low	57.5	Low	68 Å²	68	63.7 Å²	63.7	42%	0.417	32%	0.32	S	S	.	.			trans	-74	91.8	176.5	43.3	0	0	0	0	111.7	S423 T427 N428	S423-T425 PolarHBondContact O-N 2.89Å; S423-T425 PolarHBondContact OG-OG1 3.01Å; T425-T427 WeakPolarHBondContact CB-OG1 3.27Å; T425-T427 PolarHBondContact O-N 3.13Å; T425-N428 PolarHBondContact O-N 3.4Å
426	L	43.2	Very low	58.3	Low	113 Å²	113	64.2 Å²	64.2	59%	0.592	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-2.7	163.5	-78.7	166.1	0	0	0	114.3	Q424 N428	Q424-L426 PolarHBondContact O-N 3.26Å; L426-N428 VanDerWaalsContact C-N 3.26Å; L426-N428 PolarHBondContact O-N 3.3Å
427	T	50.9	Low	59.1	Low	99 Å²	99	57 Å²	57	61%	0.607	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-15.2	-179.3	56	0	0	0	0	113.1	T425	T425-T427 WeakPolarHBondContact CB-OG1 3.27Å; T425-T427 PolarHBondContact O-N 3.13Å
428	N	63.7	Low	59.9	Low	18 Å²	18	57.5 Å²	57.5	10%	0.096	29%	0.293	C	S	.	.			trans	-83.2	136.6	-176.7	-157.4	-10.2	0	0	0	113.3	F421 T425 L426 N431 Y469	F421-N428 WeakPolarHBondContact CD1-ND2 3.28Å; F421-N428 WeakPolarHBondContact CG-ND2 3.35Å; T425-N428 PolarHBondContact O-N 3.4Å; L426-N428 VanDerWaalsContact C-N 3.26Å; L426-N428 PolarHBondContact O-N 3.3Å; N428-N431 PolarHBondContact O-N 2.8Å; N428-Y469 PolarHBondContact OD1-OH 2.99Å
429	T	69.3	Low	60.9	Low	2 Å²	2	62.7 Å²	62.7	1%	0.012	31%	0.312	C	S	.	.	H	α-helix	trans	-68.9	-34.9	-178.5	44.5	0	0	0	0	114.2	N431 R432 V433 Y452 Y469	T429-N431 PolarHBondContact O-N 3.38Å; T429-R432 WeakPolarHBondContact O-CB 3.36Å; T429-R432 PolarHBondContact O-N 3.18Å; T429-V433 WeakPolarHBondContact O-CG2 3.32Å; T429-V433 PolarHBondContact O-N 3.4Å; T429-Y452 HydrophobicContact CG2-CD1 4.12Å; T429-Y452 HydrophobicContact CG2-CD2 3.43Å; T429-Y452 VanDerWaalsContact CG2-CD2 3.43Å; T429-Y452 HydrophobicContact CG2-CE1 3.73Å; T429-Y452 HydrophobicContact CG2-CE2 3.01Å; T429-Y452 HydrophobicContact CG2-CG 3.98Å; T429-Y469 PolarHBondContact OG1-OH 2.72Å
430	Y	74.2	Confident	62.2	Low	12 Å²	12	60.9 Å²	60.9	5%	0.047	30%	0.303	C	S	.	.	H	α-helix	trans	-56.7	-42.2	177.9	-80	-76.5	0	0	0	110.9	I414 S417 R432 V433 D434 Y469 L473	I414-Y430 HydrophobicContact CG2-CD1 4.49Å; S417-Y430 WeakPolarHBondContact OG-CD1 3.39Å; S417-Y430 WeakPolarHBondContact OG-CE1 3.47Å; Y430-R432 PolarHBondContact O-N 3.23Å; Y430-V433 PolarHBondContact O-N 3.11Å; Y430-D434 VanDerWaalsContact O-CB 3.29Å; Y430-D434 WeakPolarHBondContact O-CB 3.48Å; Y430-D434 PolarHBondContact O-N 3.33Å; Y430-Y469 HydrophobicContact CD2-CE2 4.05Å; Y430-Y469 AromaticContact CD2-CZ 3.81Å; Y430-Y469 WeakPolarHBondContact CD2-OH 3.38Å; Y430-Y469 HydrophobicContact CE2-CD2 4.31Å; Y430-Y469 HydrophobicContact CE2-CE1 4.4Å; Y430-Y469 AromaticContact CE2-CE2 3.44Å; Y430-Y469 HydrophobicContact CE2-CE2 3.44Å; Y430-Y469 VanDerWaalsContact CE2-CE2 3.44Å; Y430-Y469 AromaticContact CE2-CZ 3.48Å; Y430-Y469 VanDerWaalsContact CE2-CZ 3.48Å; Y430-Y469 VanDerWaalsContact CE2-OH 3.32Å; Y430-Y469 WeakPolarHBondContact CE2-OH 3.17Å; Y430-L473 HydrophobicContact CD1-CD1 3.43Å; Y430-L473 VanDerWaalsContact CD1-CD1 3.43Å; Y430-L473 HydrophobicContact CD2-CD1 4.24Å; Y430-L473 HydrophobicContact CE1-CB 4.35Å; Y430-L473 HydrophobicContact CE1-CD1 3.33Å; Y430-L473 HydrophobicContact CE1-CG 4.44Å; Y430-L473 HydrophobicContact CE2-CD1 4.16Å; Y430-L473 HydrophobicContact CG-CD1 3.9Å; Y430-L473 PolarHBondContact OH-N 3.44Å
431	N	70.8	Confident	64	Low	20 Å²	20	57.8 Å²	57.8	11%	0.107	28%	0.281	C	S	.	.	H	α-helix	trans	-63.5	-40	176.4	-68.7	-16.2	0	0	0	112	F421 N428 T429 I435	F421-N431 PolarHBondContact O-ND2 2.75Å; N428-N431 PolarHBondContact O-N 2.8Å; T429-N431 PolarHBondContact O-N 3.38Å; N431-I435 WeakPolarHBondContact O-CD1 3.39Å; N431-I435 WeakPolarHBondContact O-CG1 3.41Å; N431-I435 PolarHBondContact O-N 3.31Å
432	R	75.9	Confident	66.3	Low	100 Å²	100	54.8 Å²	54.8	38%	0.377	27%	0.268	S	S	.	.	H	α-helix	trans	-64.9	-42.5	175.4	-75.9	-178.4	169.8	-175.3	-7.5	112.1	T429 Y430 I435 L436 L448 W455	T429-R432 WeakPolarHBondContact O-CB 3.36Å; T429-R432 PolarHBondContact O-N 3.18Å; Y430-R432 PolarHBondContact O-N 3.23Å; R432-I435 PolarHBondContact O-N 3.35Å; R432-L436 WeakPolarHBondContact O-CG 3.22Å; R432-L436 PolarHBondContact O-N 3.42Å; R432-L436 VanDerWaalsContact O-N 3.09Å; R432-L448 HydrophobicContact CB-CD1 4.45Å; R432-W455 VanDerWaalsContact NH1-CH2 3.31Å
433	V	79.1	Confident	68.4	Low	0 Å²	0	52 Å²	52	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-68.6	-40.5	178.9	177.7	0	0	0	0	111.1	T429 Y430 I435 L436 L437 A445 L448 L473 V477	T429-V433 WeakPolarHBondContact O-CG2 3.32Å; T429-V433 PolarHBondContact O-N 3.4Å; Y430-V433 PolarHBondContact O-N 3.11Å; V433-I435 VanDerWaalsContact C-N 3.33Å; V433-I435 PolarHBondContact O-N 3.09Å; V433-L436 PolarHBondContact O-N 3.18Å; V433-L436 VanDerWaalsContact O-N 3.08Å; V433-L437 HydrophobicContact CG1-CD1 3.92Å; V433-L437 HydrophobicContact CG1-CG 4.16Å; V433-L437 WeakPolarHBondContact O-CG 3.32Å; V433-L437 PolarHBondContact O-N 2.76Å; V433-A445 HydrophobicContact CG1-CB 4.24Å; V433-L448 HydrophobicContact CG2-CD2 4.38Å; V433-L473 HydrophobicContact CG2-CD1 4.3Å; V433-V477 HydrophobicContact CB-CG2 4.47Å; V433-V477 HydrophobicContact CG1-CG1 4.46Å; V433-V477 HydrophobicContact CG1-CG2 3.41Å; V433-V477 VanDerWaalsContact CG1-CG2 3.41Å
434	D	74.4	Confident	70.6	Confident	10 Å²	10	57.4 Å²	57.4	5%	0.053	28%	0.276	C	S	.	.	H	α-helix	trans	-57	-46.7	173.4	-176.7	16.9	0	0	0	111.2	I408 I414 Y430 L436 L437 R438	I408-D434 HydrophobicContact CD1-CB 4.2Å; I408-D434 WeakPolarHBondContact CD1-OD1 3.5Å; I414-D434 HydrophobicContact CG2-CB 4.47Å; Y430-D434 VanDerWaalsContact O-CB 3.29Å; Y430-D434 WeakPolarHBondContact O-CB 3.48Å; Y430-D434 PolarHBondContact O-N 3.33Å; D434-L436 VanDerWaalsContact C-N 3.3Å; D434-L436 PolarHBondContact O-N 3.46Å; D434-L437 PolarHBondContact O-N 3.47Å; D434-R438 VanDerWaalsContact CG-NE 3.33Å; D434-R438 WeakPolarHBondContact O-CB 3.21Å; D434-R438 VanDerWaalsContact O-CG 3.26Å; D434-R438 WeakPolarHBondContact O-CG 3.39Å; D434-R438 PolarHBondContact O-N 3.47Å; D434-R438 IonicContact OD1-CZ 3.63Å; D434-R438 IonicContact OD1-NE 2.85Å; D434-R438 PolarHBondContact OD1-NE 3.31Å; D434-R438 IonicContact OD1-NH2 3.76Å; D434-R438 PolarHBondContact OD1-NH2 3.13Å; D434-R438 IonicContact OD2-CZ 3.78Å; D434-R438 IonicContact OD2-NE 2.69Å; D434-R438 PolarHBondContact OD2-NE 3.06Å; D434-R438 IonicContact OD2-NH2 3.73Å; D434-R438 PolarHBondContact OD2-NH2 2.86Å
435	I	72.8	Confident	72.8	Confident	66 Å²	66	48.3 Å²	48.3	34%	0.338	23%	0.233	S	C	.	.	H	α-helix	trans	-57.7	-42.3	174.3	-67.9	162.8	0	0	0	111.6	N431 R432 V433 R438 R439	N431-I435 WeakPolarHBondContact O-CD1 3.39Å; N431-I435 WeakPolarHBondContact O-CG1 3.41Å; N431-I435 PolarHBondContact O-N 3.31Å; R432-I435 PolarHBondContact O-N 3.35Å; V433-I435 VanDerWaalsContact C-N 3.33Å; V433-I435 PolarHBondContact O-N 3.09Å; I435-R438 PolarHBondContact O-N 2.96Å; I435-R439 WeakPolarHBondContact O-CB 3.41Å; I435-R439 VanDerWaalsContact O-CG 3.27Å; I435-R439 WeakPolarHBondContact O-CG 3.19Å; I435-R439 PolarHBondContact O-N 3.14Å; I435-R439 VanDerWaalsContact O-N 3.12Å
436	L	80.7	Confident	75.1	Confident	19 Å²	19	45.1 Å²	45.1	10%	0.099	21%	0.214	C	C	.	.	H	α-helix	trans	-68.2	-40.9	179.9	-69.4	171.4	0	0	0	112.2	R432 V433 D434 R438 R439 F440 S441 R444 A445 L448	R432-L436 WeakPolarHBondContact O-CG 3.22Å; R432-L436 PolarHBondContact O-N 3.42Å; R432-L436 VanDerWaalsContact O-N 3.09Å; V433-L436 PolarHBondContact O-N 3.18Å; V433-L436 VanDerWaalsContact O-N 3.08Å; D434-L436 VanDerWaalsContact C-N 3.3Å; D434-L436 PolarHBondContact O-N 3.46Å; L436-R438 VanDerWaalsContact C-N 3.35Å; L436-R439 CarbonylContact O-C 3.57Å; L436-R439 PolarHBondContact O-N 3.13Å; L436-F440 PolarHBondContact O-N 3.12Å; L436-S441 WeakPolarHBondContact CA-OG 3.47Å; L436-S441 WeakPolarHBondContact CB-OG 3.26Å; L436-S441 WeakPolarHBondContact CD2-OG 3.35Å; L436-S441 PolarHBondContact O-N 3.48Å; L436-S441 PolarHBondContact O-OG 2.87Å; L436-R444 HydrophobicContact CD1-CG 4.19Å; L436-R444 HydrophobicContact CD2-CB 4.44Å; L436-R444 HydrophobicContact CD2-CG 4.13Å; L436-A445 HydrophobicContact CB-CB 3.89Å; L436-A445 HydrophobicContact CD1-CB 4.42Å; L436-L448 HydrophobicContact CD1-CB 4.44Å; L436-L448 HydrophobicContact CD1-CD1 3.63Å
437	L	79.3	Confident	77.2	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-68.2	-33.6	177	-70.6	174.4	0	0	0	112.2	I408 I414 V433 D434 R439 F440 A445 E480 L481 R484	I408-L437 HydrophobicContact CD1-CD1 4.25Å; I414-L437 HydrophobicContact CD1-CD1 3.54Å; V433-L437 HydrophobicContact CG1-CD1 3.92Å; V433-L437 HydrophobicContact CG1-CG 4.16Å; V433-L437 WeakPolarHBondContact O-CG 3.32Å; V433-L437 PolarHBondContact O-N 2.76Å; D434-L437 PolarHBondContact O-N 3.47Å; L437-R439 VanDerWaalsContact C-N 3.28Å; L437-F440 PolarHBondContact O-N 3.14Å; L437-A445 HydrophobicContact CD2-CB 3.91Å; L437-A445 HydrophobicContact CG-CB 4.16Å; L437-E480 HydrophobicContact CD1-CG 4.16Å; L437-L481 HydrophobicContact CD2-CD2 3.96Å; L437-R484 PolarHBondContact O-NH1 3.47Å
438	R	72.3	Confident	78.9	Confident	38 Å²	38	38.9 Å²	38.9	14%	0.143	18%	0.179	C	C	.	.	H	α-helix	trans	-69.9	-25.4	171.9	-69.9	175.1	-169.6	-168.3	1.2	112.8	P403 L407 Y422 D434 I435 L436 F440	P403-R438 VanDerWaalsContact CD-NH1 3.33Å; L407-R438 HydrophobicContact CD1-CB 4.34Å; L407-R438 HydrophobicContact CD1-CG 4.18Å; Y422-R438 PolarHBondContact OH-NH2 3.08Å; D434-R438 VanDerWaalsContact CG-NE 3.33Å; D434-R438 WeakPolarHBondContact O-CB 3.21Å; D434-R438 VanDerWaalsContact O-CG 3.26Å; D434-R438 WeakPolarHBondContact O-CG 3.39Å; D434-R438 PolarHBondContact O-N 3.47Å; D434-R438 IonicContact OD1-CZ 3.63Å; D434-R438 IonicContact OD1-NE 2.85Å; D434-R438 PolarHBondContact OD1-NE 3.31Å; D434-R438 IonicContact OD1-NH2 3.76Å; D434-R438 PolarHBondContact OD1-NH2 3.13Å; D434-R438 IonicContact OD2-CZ 3.78Å; D434-R438 IonicContact OD2-NE 2.69Å; D434-R438 PolarHBondContact OD2-NE 3.06Å; D434-R438 IonicContact OD2-NH2 3.73Å; D434-R438 PolarHBondContact OD2-NH2 2.86Å; I435-R438 PolarHBondContact O-N 2.96Å; L436-R438 VanDerWaalsContact C-N 3.35Å; R438-F440 VanDerWaalsContact C-N 3.34Å
439	R	74.4	Confident	80	Confident	112 Å²	112	38.3 Å²	38.3	42%	0.423	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	11	176.5	-69.6	179.3	-175.1	-167.8	5.5	113.5	R386 I435 L436 L437 S441	R386-R439 HydrophobicContact CG-CG 4.35Å; I435-R439 WeakPolarHBondContact O-CB 3.41Å; I435-R439 VanDerWaalsContact O-CG 3.27Å; I435-R439 WeakPolarHBondContact O-CG 3.19Å; I435-R439 PolarHBondContact O-N 3.14Å; I435-R439 VanDerWaalsContact O-N 3.12Å; L436-R439 CarbonylContact O-C 3.57Å; L436-R439 PolarHBondContact O-N 3.13Å; L437-R439 VanDerWaalsContact C-N 3.28Å; R439-S441 PolarHBondContact O-N 3.1Å
440	F	75.4	Confident	80.7	Confident	61 Å²	61	39.8 Å²	39.8	27%	0.268	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	24.6	-176.3	-60.4	-85.4	0	0	0	113.8	L436 L437 R438 H442	L436-F440 PolarHBondContact O-N 3.12Å; L437-F440 PolarHBondContact O-N 3.14Å; R438-F440 VanDerWaalsContact C-N 3.34Å; F440-H442 VanDerWaalsContact C-N 3.25Å; F440-H442 AromaticContact CD1-NE2 3.66Å; F440-H442 PolarHBondContact O-CD2 3.29Å; F440-H442 PolarHBondContact O-N 2.92Å; F440-H442 VanDerWaalsContact O-N 3.12Å
441	S	83.9	Confident	81	Confident	23 Å²	23	40.7 Å²	40.7	16%	0.161	19%	0.191	C	C	.	.			trans	-91	61	178.5	56.2	0	0	0	0	110.4	L436 R439 S443 R444 A445	L436-S441 WeakPolarHBondContact CA-OG 3.47Å; L436-S441 WeakPolarHBondContact CB-OG 3.26Å; L436-S441 WeakPolarHBondContact CD2-OG 3.35Å; L436-S441 PolarHBondContact O-N 3.48Å; L436-S441 PolarHBondContact O-OG 2.87Å; R439-S441 PolarHBondContact O-N 3.1Å; S441-S443 PolarHBondContact O-N 3.05Å; S441-R444 PolarHBondContact O-N 3.28Å; S441-A445 PolarHBondContact O-N 3.47Å
442	H	85.9	Confident	80.9	Confident	19 Å²	19	40.8 Å²	40.8	9%	0.088	19%	0.19	C	C	.	.	H	α-helix	trans	-60.4	-45.2	-170.1	-57.1	-70.3	0	0	0	113.1	F440 R444 A445 L446 L481 T486 A490	F440-H442 VanDerWaalsContact C-N 3.25Å; F440-H442 AromaticContact CD1-NE2 3.66Å; F440-H442 PolarHBondContact O-CD2 3.29Å; F440-H442 PolarHBondContact O-N 2.92Å; F440-H442 VanDerWaalsContact O-N 3.12Å; H442-R444 PolarHBondContact O-N 3.12Å; H442-A445 PolarHBondContact O-N 3.13Å; H442-L446 PolarHBondContact O-N 3.38Å; H442-L481 HydrophobicContact CB-CD2 3.76Å; H442-L481 VanDerWaalsContact ND1-CD2 3.31Å; H442-L481 WeakPolarHBondContact ND1-CD2 3.48Å; H442-T486 PolarHBondContact ND1-OG1 2.97Å; H442-A490 HydrophobicContact CB-CB 3.8Å
443	S	87.2	Confident	80.5	Confident	57 Å²	57	41.1 Å²	41.1	40%	0.399	19%	0.191	S	C	.	.	H	α-helix	trans	-59.9	-46.9	179	57.3	0	0	0	0	111.5	S441 L446 T447 R494	S441-S443 PolarHBondContact O-N 3.05Å; S443-L446 PolarHBondContact O-N 3.25Å; S443-T447 PolarHBondContact O-N 2.94Å; S443-T447 PolarHBondContact O-OG1 3.38Å; S443-R494 PolarHBondContact O-NH2 3.28Å
444	R	86.9	Confident	79.7	Confident	177 Å²	177	43.4 Å²	43.4	67%	0.668	21%	0.207	S	C	*	.	H	α-helix	trans	-66.7	-37.1	178.7	-166	168.5	171.8	162.7	-1.8	112.4	L436 S441 H442 L448	L436-R444 HydrophobicContact CD1-CG 4.19Å; L436-R444 HydrophobicContact CD2-CB 4.44Å; L436-R444 HydrophobicContact CD2-CG 4.13Å; S441-R444 PolarHBondContact O-N 3.28Å; H442-R444 PolarHBondContact O-N 3.12Å; R444-L448 WeakPolarHBondContact O-CB 3.24Å; R444-L448 PolarHBondContact O-N 3.46Å
445	A	87.3	Confident	79	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-61.3	-48.4	174.3	0	0	0	0	0	111.6	V433 L436 L437 S441 H442 L448 A449	V433-A445 HydrophobicContact CG1-CB 4.24Å; L436-A445 HydrophobicContact CB-CB 3.89Å; L436-A445 HydrophobicContact CD1-CB 4.42Å; L437-A445 HydrophobicContact CD2-CB 3.91Å; L437-A445 HydrophobicContact CG-CB 4.16Å; S441-A445 PolarHBondContact O-N 3.47Å; H442-A445 PolarHBondContact O-N 3.13Å; A445-L448 PolarHBondContact O-N 3.09Å; A445-A449 PolarHBondContact O-N 3.11Å
446	L	90.1	Very high	78.4	Confident	2 Å²	2	43.6 Å²	43.6	1%	0.01	20%	0.203	C	C	.	.	H	α-helix	trans	-64.6	-43.3	178.7	-173.1	131.4	0	0	0	111.6	H442 S443 L448 A449 L450 I478 L481 L487 I502	H442-L446 PolarHBondContact O-N 3.38Å; S443-L446 PolarHBondContact O-N 3.25Å; L446-L448 VanDerWaalsContact C-N 3.35Å; L446-L448 PolarHBondContact O-N 3.27Å; L446-A449 PolarHBondContact O-N 3.13Å; L446-L450 HydrophobicContact CD2-CD1 3.58Å; L446-L450 HydrophobicContact CD2-CG 4.46Å; L446-L450 HydrophobicContact CG-CD1 4.18Å; L446-L450 WeakPolarHBondContact O-CG 3.32Å; L446-L450 PolarHBondContact O-N 3.28Å; L446-I478 HydrophobicContact CD1-CG1 4.16Å; L446-L481 HydrophobicContact CB-CD1 4.14Å; L446-L481 HydrophobicContact CD1-CD1 3.66Å; L446-L487 HydrophobicContact CD1-CD1 4.23Å; L446-I502 HydrophobicContact CD2-CD1 4.12Å; L446-I502 HydrophobicContact CD2-CG1 4.25Å
447	T	87.7	Confident	77.3	Confident	41 Å²	41	50 Å²	50	25%	0.252	23%	0.226	S	C	.	.	H	α-helix	trans	-63.1	-40.6	177.6	-54.3	0	0	0	0	111.7	S443 L450 T451 R494	S443-T447 PolarHBondContact O-N 2.94Å; S443-T447 PolarHBondContact O-OG1 3.38Å; T447-L450 PolarHBondContact O-N 2.87Å; T447-T451 HydrophobicContact CG2-CG2 4.15Å; T447-T451 WeakPolarHBondContact O-CB 3.37Å; T447-T451 WeakPolarHBondContact O-CG2 3.34Å; T447-T451 PolarHBondContact O-N 2.9Å; T447-T451 PolarHBondContact O-OG1 2.93Å; T447-R494 PolarHBondContact OG1-NH1 3.33Å; T447-R494 PolarHBondContact OG1-NH2 3.06Å
448	L	85.1	Confident	76.2	Confident	40 Å²	40	57.9 Å²	57.9	21%	0.209	26%	0.262	C	S	.	.	H	α-helix	trans	-64.2	-41.9	177.5	-155.1	166.2	0	0	0	111.1	R432 V433 L436 R444 A445 L446 Y452	R432-L448 HydrophobicContact CB-CD1 4.45Å; V433-L448 HydrophobicContact CG2-CD2 4.38Å; L436-L448 HydrophobicContact CD1-CB 4.44Å; L436-L448 HydrophobicContact CD1-CD1 3.63Å; R444-L448 WeakPolarHBondContact O-CB 3.24Å; R444-L448 PolarHBondContact O-N 3.46Å; A445-L448 PolarHBondContact O-N 3.09Å; L446-L448 VanDerWaalsContact C-N 3.35Å; L446-L448 PolarHBondContact O-N 3.27Å; L448-Y452 WeakPolarHBondContact O-CB 3.26Å; L448-Y452 PolarHBondContact O-N 3.12Å; L448-Y452 VanDerWaalsContact O-N 3.13Å
449	A	86.7	Confident	75.4	Confident	5 Å²	5	62.4 Å²	62.4	4%	0.041	28%	0.283	C	S	.	.	H	α-helix	trans	-64	-42.5	178.2	0	0	0	0	0	112.7	A445 L446 L473 V477	A445-A449 PolarHBondContact O-N 3.11Å; L446-A449 PolarHBondContact O-N 3.13Å; A449-L473 HydrophobicContact CB-CG 4.37Å; A449-V477 HydrophobicContact CB-CB 4.23Å; A449-V477 HydrophobicContact CB-CG1 4.44Å; A449-V477 HydrophobicContact CB-CG2 4.02Å
450	L	85	Confident	74.5	Confident	34 Å²	34	66.4 Å²	66.4	18%	0.178	30%	0.304	C	S	.	.	H	α-helix	trans	-73.9	-38.8	-179.6	-65.8	177.7	0	0	0	113.2	L446 T447 A474 I502 F505	L446-L450 HydrophobicContact CD2-CD1 3.58Å; L446-L450 HydrophobicContact CD2-CG 4.46Å; L446-L450 HydrophobicContact CG-CD1 4.18Å; L446-L450 WeakPolarHBondContact O-CG 3.32Å; L446-L450 PolarHBondContact O-N 3.28Å; T447-L450 PolarHBondContact O-N 2.87Å; L450-A474 HydrophobicContact CD2-CB 4.26Å; L450-I502 HydrophobicContact CD1-CB 4.46Å; L450-I502 HydrophobicContact CD1-CG1 3.57Å; L450-F505 HydrophobicContact CD2-CB 3.75Å; L450-F505 HydrophobicContact CD2-CD1 3.89Å; L450-F505 HydrophobicContact CD2-CD2 3.55Å; L450-F505 HydrophobicContact CD2-CE1 4.4Å; L450-F505 HydrophobicContact CD2-CE2 4.1Å; L450-F505 HydrophobicContact CD2-CG 3.43Å; L450-F505 VanDerWaalsContact CD2-CG 3.43Å; L450-F505 HydrophobicContact CD2-CZ 4.5Å
451	T	79.7	Confident	73.5	Confident	31 Å²	31	68 Å²	68	19%	0.19	31%	0.308	C	S	.	.	H	α-helix	trans	-89.2	-0.2	-176.1	60.7	0	0	0	0	113.9	T447 R453 S454 W455	T447-T451 HydrophobicContact CG2-CG2 4.15Å; T447-T451 WeakPolarHBondContact O-CB 3.37Å; T447-T451 WeakPolarHBondContact O-CG2 3.34Å; T447-T451 PolarHBondContact O-N 2.9Å; T447-T451 PolarHBondContact O-OG1 2.93Å; T451-R453 PolarHBondContact O-N 3.33Å; T451-R453 VanDerWaalsContact O-N 3.14Å; T451-S454 PolarHBondContact O-N 2.88Å; T451-S454 VanDerWaalsContact O-N 3.12Å; T451-S454 PolarHBondContact O-OG 3.03Å; T451-W455 WeakPolarHBondContact O-CB 3.32Å; T451-W455 PolarHBondContact O-N 3.34Å
452	Y	69.8	Low	72.1	Confident	21 Å²	21	77.4 Å²	77.4	8%	0.082	35%	0.346	C	S	.	.	H	α-helix	trans	-57.8	-37.3	-172.7	-176.7	-127.6	0	0	0	113.5	T429 L448 W455 T456 P465 Y469 L473	T429-Y452 HydrophobicContact CG2-CD1 4.12Å; T429-Y452 HydrophobicContact CG2-CD2 3.43Å; T429-Y452 VanDerWaalsContact CG2-CD2 3.43Å; T429-Y452 HydrophobicContact CG2-CE1 3.73Å; T429-Y452 HydrophobicContact CG2-CE2 3.01Å; T429-Y452 HydrophobicContact CG2-CG 3.98Å; L448-Y452 WeakPolarHBondContact O-CB 3.26Å; L448-Y452 PolarHBondContact O-N 3.12Å; L448-Y452 VanDerWaalsContact O-N 3.13Å; Y452-W455 HydrophobicContact CD2-CE3 4.11Å; Y452-W455 HydrophobicContact CE2-CE3 4.13Å; Y452-W455 HydrophobicContact CE2-CZ3 4.29Å; Y452-T456 HydrophobicContact CD2-CG2 3.96Å; Y452-T456 HydrophobicContact CE1-CG2 4.38Å; Y452-T456 HydrophobicContact CE2-CG2 3.39Å; Y452-T456 WeakPolarHBondContact O-CG2 3.36Å; Y452-T456 PolarHBondContact O-N 3.35Å; Y452-T456 PolarHBondContact O-OG1 2.84Å; Y452-P465 HydrophobicContact CD1-CB 4.29Å; Y452-P465 HydrophobicContact CD1-CG 3.94Å; Y452-P465 HydrophobicContact CE1-CB 3.6Å; Y452-P465 HydrophobicContact CE1-CG 3.45Å; Y452-P465 VanDerWaalsContact CE1-CG 3.45Å; Y452-Y469 HydrophobicContact CD1-CE1 4.32Å; Y452-Y469 HydrophobicContact CE1-CD1 4.13Å; Y452-Y469 AromaticContact CE1-CE1 3.74Å; Y452-Y469 HydrophobicContact CE1-CE1 3.74Å; Y452-L473 HydrophobicContact CD1-CD2 4.31Å
453	R	67.1	Low	70.8	Confident	107 Å²	107	83.2 Å²	83.2	40%	0.404	38%	0.376	S	S	.	.	H	α-helix	trans	-70.5	-39.6	178.9	-166	178.5	-175.3	-167.7	1.3	112.9	T451 T456 R457	T451-R453 PolarHBondContact O-N 3.33Å; T451-R453 VanDerWaalsContact O-N 3.14Å; R453-T456 PolarHBondContact O-OG1 3.12Å; R453-T456 VanDerWaalsContact O-OG1 3.13Å; R453-R457 WeakPolarHBondContact O-CG 3.31Å; R453-R457 PolarHBondContact O-N 2.93Å
454	S	62.2	Low	69.6	Low	48 Å²	48	86.1 Å²	86.1	34%	0.336	39%	0.386	S	S	.	.	H	α-helix	trans	-70.8	-40.9	176.6	52.5	0	0	0	0	111	T451 T456 R457 H458	T451-S454 PolarHBondContact O-N 2.88Å; T451-S454 VanDerWaalsContact O-N 3.12Å; T451-S454 PolarHBondContact O-OG 3.03Å; S454-T456 PolarHBondContact O-N 3.13Å; S454-R457 PolarHBondContact O-N 3.18Å; S454-H458 PolarHBondContact O-N 3.35Å; S454-H458 VanDerWaalsContact O-N 3.15Å
455	W	60.4	Low	68.7	Low	77 Å²	77	78.3 Å²	78.3	29%	0.292	36%	0.358	S	S	.	.	H	α-helix	trans	-61.7	-43.5	178.7	-172.6	70.2	0	0	0	112.9	R432 T451 Y452 R457 H458 F459 R461	R432-W455 VanDerWaalsContact NH1-CH2 3.31Å; T451-W455 WeakPolarHBondContact O-CB 3.32Å; T451-W455 PolarHBondContact O-N 3.34Å; Y452-W455 HydrophobicContact CD2-CE3 4.11Å; Y452-W455 HydrophobicContact CE2-CE3 4.13Å; Y452-W455 HydrophobicContact CE2-CZ3 4.29Å; W455-R457 PolarHBondContact O-N 3.28Å; W455-H458 PolarHBondContact O-N 2.72Å; W455-F459 AromaticContact CD1-CD2 3.68Å; W455-F459 AromaticContact CD1-CE2 3.65Å; W455-F459 HydrophobicContact CD2-CD2 4.29Å; W455-F459 AromaticContact CE2-CD2 3.74Å; W455-F459 AromaticContact CE2-CE2 3.93Å; W455-F459 HydrophobicContact CG-CD2 4.25Å; W455-F459 HydrophobicContact CZ2-CD2 4.29Å; W455-F459 HydrophobicContact CZ2-CE2 4.48Å; W455-F459 AromaticContact NE1-CD2 3.33Å; W455-F459 VanDerWaalsContact NE1-CD2 3.33Å; W455-F459 AromaticContact NE1-CE2 3.14Å; W455-F459 PolarHBondContact O-N 3.15Å; W455-F459 VanDerWaalsContact O-N 3.13Å; W455-R461 VanDerWaalsContact CH2-CZ 3.41Å; W455-R461 VanDerWaalsContact CH2-NH2 3.34Å
456	T	58.8	Low	68.1	Low	3 Å²	3	82.4 Å²	82.4	2%	0.018	38%	0.383	C	S	.	.	H	α-helix	trans	-67.2	-32.9	178.7	44.8	0	0	0	0	113.5	Y452 R453 S454 P465	Y452-T456 HydrophobicContact CD2-CG2 3.96Å; Y452-T456 HydrophobicContact CE1-CG2 4.38Å; Y452-T456 HydrophobicContact CE2-CG2 3.39Å; Y452-T456 WeakPolarHBondContact O-CG2 3.36Å; Y452-T456 PolarHBondContact O-N 3.35Å; Y452-T456 PolarHBondContact O-OG1 2.84Å; R453-T456 PolarHBondContact O-OG1 3.12Å; R453-T456 VanDerWaalsContact O-OG1 3.13Å; S454-T456 PolarHBondContact O-N 3.13Å; T456-P465 HydrophobicContact CG2-CG 4.12Å
457	R	58.4	Low	67.4	Low	154 Å²	154	85.6 Å²	85.6	58%	0.581	40%	0.404	S	S	*	.	H	α-helix	trans	-66.5	-43.7	172.9	-75.1	178.7	176.7	168	-4.4	112.2	R453 S454 W455	R453-R457 WeakPolarHBondContact O-CG 3.31Å; R453-R457 PolarHBondContact O-N 2.93Å; S454-R457 PolarHBondContact O-N 3.18Å; W455-R457 PolarHBondContact O-N 3.28Å
458	H	56.5	Low	67	Low	165 Å²	165	89.5 Å²	89.5	76%	0.764	42%	0.42	S	S	*	.	H	α-helix	trans	-66.3	-40	179.4	-80.3	-8.9	0	0	0	113.1	S454 W455 K460	S454-H458 PolarHBondContact O-N 3.35Å; S454-H458 VanDerWaalsContact O-N 3.15Å; W455-H458 PolarHBondContact O-N 2.72Å; H458-K460 VanDerWaalsContact C-N 3.27Å; H458-K460 PolarHBondContact O-N 3.19Å
459	F	55.3	Low	66.7	Low	134 Å²	134	90.1 Å²	90.1	59%	0.588	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	12.4	-177.1	-83.3	-82.5	0	0	0	115	W455 R461	W455-F459 AromaticContact CD1-CD2 3.68Å; W455-F459 AromaticContact CD1-CE2 3.65Å; W455-F459 HydrophobicContact CD2-CD2 4.29Å; W455-F459 AromaticContact CE2-CD2 3.74Å; W455-F459 AromaticContact CE2-CE2 3.93Å; W455-F459 HydrophobicContact CG-CD2 4.25Å; W455-F459 HydrophobicContact CZ2-CD2 4.29Å; W455-F459 HydrophobicContact CZ2-CE2 4.48Å; W455-F459 AromaticContact NE1-CD2 3.33Å; W455-F459 VanDerWaalsContact NE1-CD2 3.33Å; W455-F459 AromaticContact NE1-CE2 3.14Å; W455-F459 PolarHBondContact O-N 3.15Å; W455-F459 VanDerWaalsContact O-N 3.13Å; F459-R461 HydrophobicContact CB-CG 4.38Å; F459-R461 PolarHBondContact O-N 3.14Å
460	K	54.2	Low	66.5	Low	195 Å²	195	90.6 Å²	90.6	85%	0.848	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	41.1	44.3	178.9	-68.3	-174.5	177.8	179.9	0	113.4	H458	H458-K460 VanDerWaalsContact C-N 3.27Å; H458-K460 PolarHBondContact O-N 3.19Å
461	R	55.2	Low	66.5	Low	96 Å²	96	89.7 Å²	89.7	36%	0.362	42%	0.417	S	S	.	.			trans	-71.8	142	179.1	-73.8	-175.4	167.9	-160.6	-10.7	110.3	W455 F459 I463	W455-R461 VanDerWaalsContact CH2-CZ 3.41Å; W455-R461 VanDerWaalsContact CH2-NH2 3.34Å; F459-R461 HydrophobicContact CB-CG 4.38Å; F459-R461 PolarHBondContact O-N 3.14Å; R461-I463 PolarHBondContact O-N 2.74Å; R461-I463 VanDerWaalsContact O-N 3.11Å
462	K	53.9	Low	66.8	Low	219 Å²	219	91.4 Å²	91.4	95%	0.952	43%	0.426	S	S	*	.	S	Bend	trans	-56.6	-26.8	-178.1	-77.7	-173.4	175.4	-176.9	0	114.6
463	I	58.3	Low	67.5	Low	142 Å²	142	90.4 Å²	90.4	73%	0.728	42%	0.422	S	S	*	.	S	Bend	trans	-117.4	108.7	-177.6	-58.9	164.1	0	0	0	108.4	R461	R461-I463 PolarHBondContact O-N 2.74Å; R461-I463 VanDerWaalsContact O-N 3.11Å
464	I	63.8	Low	68.6	Low	118 Å²	118	85.4 Å²	85.4	61%	0.605	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-81.4	120.2	172.7	-58.9	166.9	0	0	0	107.2
465	P	66.6	Low	69.9	Low	13 Å²	13	83.3 Å²	83.3	8%	0.084	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-65.2	141.7	179.8	26.7	-34.4	0	0	0	111.2	Y452 T456 Y469	Y452-P465 HydrophobicContact CD1-CB 4.29Å; Y452-P465 HydrophobicContact CD1-CG 3.94Å; Y452-P465 HydrophobicContact CE1-CB 3.6Å; Y452-P465 HydrophobicContact CE1-CG 3.45Å; Y452-P465 VanDerWaalsContact CE1-CG 3.45Å; T456-P465 HydrophobicContact CG2-CG 4.12Å; P465-Y469 HydrophobicContact CB-CD1 3.94Å
466	T	75.3	Confident	71.1	Confident	85 Å²	85	79.9 Å²	79.9	52%	0.521	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-62.8	147.3	176.9	59.4	0	0	0	0	110.4	Q468 Y469 C470	T466-Q468 PolarHBondContact O-N 3.5Å; T466-Y469 WeakPolarHBondContact O-CB 3.18Å; T466-Y469 PolarHBondContact O-N 2.96Å; T466-Y469 VanDerWaalsContact OG1-CB 3.26Å; T466-Y469 WeakPolarHBondContact OG1-CB 2.98Å; T466-Y469 PolarHBondContact OG1-N 2.84Å; T466-C470 PolarHBondContact O-N 3.27Å
467	P	74.9	Confident	72.5	Confident	69 Å²	69	79.7 Å²	79.7	45%	0.448	38%	0.375	S	S	.	.	H	α-helix	trans	-58.8	-32.6	177.8	21.6	-31.5	0	0	0	112.3	C470 L471	P467-C470 PolarHBondContact O-N 3.18Å; P467-L471 PolarHBondContact O-N 3.26Å; P467-L471 VanDerWaalsContact O-N 3.1Å
468	Q	79.9	Confident	74.1	Confident	124 Å²	124	72.5 Å²	72.5	58%	0.579	35%	0.348	S	S	*	.	H	α-helix	trans	-63.3	-43.3	174.4	-152.8	107.3	3.3	0	0	112	T466 C470 L471 N472	T466-Q468 PolarHBondContact O-N 3.5Å; Q468-C470 PolarHBondContact O-N 3.29Å; Q468-L471 WeakPolarHBondContact O-CB 3.49Å; Q468-L471 PolarHBondContact O-N 3.07Å; Q468-N472 VanDerWaalsContact O-CG 3.26Å; Q468-N472 PolarHBondContact O-N 2.97Å; Q468-N472 PolarHBondContact O-OD1 3.48Å
469	Y	79.5	Confident	75.6	Confident	53 Å²	53	69 Å²	69	21%	0.208	33%	0.328	C	S	.	.	H	α-helix	trans	-61.8	-44.9	178.5	177.4	-87.9	0	0	0	111.6	N428 T429 Y430 Y452 P465 T466 L471 N472 L473	N428-Y469 PolarHBondContact OD1-OH 2.99Å; T429-Y469 PolarHBondContact OG1-OH 2.72Å; Y430-Y469 HydrophobicContact CD2-CE2 4.05Å; Y430-Y469 AromaticContact CD2-CZ 3.81Å; Y430-Y469 WeakPolarHBondContact CD2-OH 3.38Å; Y430-Y469 HydrophobicContact CE2-CD2 4.31Å; Y430-Y469 HydrophobicContact CE2-CE1 4.4Å; Y430-Y469 AromaticContact CE2-CE2 3.44Å; Y430-Y469 HydrophobicContact CE2-CE2 3.44Å; Y430-Y469 VanDerWaalsContact CE2-CE2 3.44Å; Y430-Y469 AromaticContact CE2-CZ 3.48Å; Y430-Y469 VanDerWaalsContact CE2-CZ 3.48Å; Y430-Y469 VanDerWaalsContact CE2-OH 3.32Å; Y430-Y469 WeakPolarHBondContact CE2-OH 3.17Å; Y452-Y469 HydrophobicContact CD1-CE1 4.32Å; Y452-Y469 HydrophobicContact CE1-CD1 4.13Å; Y452-Y469 AromaticContact CE1-CE1 3.74Å; Y452-Y469 HydrophobicContact CE1-CE1 3.74Å; P465-Y469 HydrophobicContact CB-CD1 3.94Å; T466-Y469 WeakPolarHBondContact O-CB 3.18Å; T466-Y469 PolarHBondContact O-N 2.96Å; T466-Y469 VanDerWaalsContact OG1-CB 3.26Å; T466-Y469 WeakPolarHBondContact OG1-CB 2.98Å; T466-Y469 PolarHBondContact OG1-N 2.84Å; Y469-L471 VanDerWaalsContact C-N 3.34Å; Y469-L471 PolarHBondContact O-N 3.44Å; Y469-N472 PolarHBondContact O-N 3.47Å; Y469-L473 WeakPolarHBondContact O-CB 3.42Å; Y469-L473 PolarHBondContact O-N 2.99Å
470	C	82.1	Confident	77	Confident	14 Å²	14	62.7 Å²	62.7	10%	0.095	30%	0.301	C	S	.	.	H	α-helix	trans	-63.7	-39.3	177.4	-64.1	0	0	0	0	112.2	T466 P467 Q468 A474	T466-C470 PolarHBondContact O-N 3.27Å; P467-C470 PolarHBondContact O-N 3.18Å; Q468-C470 PolarHBondContact O-N 3.29Å; C470-A474 PolarHBondContact O-N 2.85Å
471	L	85.6	Confident	78.6	Confident	15 Å²	15	53.4 Å²	53.4	8%	0.079	26%	0.26	C	S	.	.	H	α-helix	trans	-60.8	-52.3	174.6	179.7	70.5	0	0	0	110.9	P467 Q468 Y469 L473 A474 L475 F505 N509 R512	P467-L471 PolarHBondContact O-N 3.26Å; P467-L471 VanDerWaalsContact O-N 3.1Å; Q468-L471 WeakPolarHBondContact O-CB 3.49Å; Q468-L471 PolarHBondContact O-N 3.07Å; Y469-L471 VanDerWaalsContact C-N 3.34Å; Y469-L471 PolarHBondContact O-N 3.44Å; L471-L473 VanDerWaalsContact C-N 3.28Å; L471-L473 PolarHBondContact O-N 3.48Å; L471-A474 PolarHBondContact O-N 2.98Å; L471-A474 VanDerWaalsContact O-N 3.12Å; L471-L475 HydrophobicContact CD1-CD1 4.13Å; L471-L475 HydrophobicContact CD1-CG 4.23Å; L471-L475 HydrophobicContact CD2-CD1 4.25Å; L471-L475 HydrophobicContact CG-CD1 3.81Å; L471-L475 HydrophobicContact CG-CG 4.25Å; L471-L475 WeakPolarHBondContact O-CG 3.46Å; L471-L475 PolarHBondContact O-N 2.97Å; L471-F505 HydrophobicContact CD1-CE2 4.17Å; L471-F505 HydrophobicContact CD1-CZ 4.22Å; L471-N509 HydrophobicContact CD1-CB 4.26Å; L471-N509 VanDerWaalsContact CD1-OD1 3.24Å; L471-N509 WeakPolarHBondContact CD1-OD1 3.22Å; L471-R512 VanDerWaalsContact CD2-NH1 3.31Å
472	N	84.5	Confident	80.2	Confident	68 Å²	68	50.9 Å²	50.9	36%	0.364	25%	0.253	S	S	.	.	H	α-helix	trans	-62.1	-38.1	-177.4	-68.1	-2.6	0	0	0	111.3	Q468 Y469 A476	Q468-N472 VanDerWaalsContact O-CG 3.26Å; Q468-N472 PolarHBondContact O-N 2.97Å; Q468-N472 PolarHBondContact O-OD1 3.48Å; Y469-N472 PolarHBondContact O-N 3.47Å; N472-A476 WeakPolarHBondContact O-CB 3.23Å; N472-A476 PolarHBondContact O-N 3.02Å
473	L	85.4	Confident	81.6	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-61.1	-48.2	173.2	-178.4	68.4	0	0	0	111.5	Y430 V433 A449 Y452 Y469 L471 A476 V477	Y430-L473 HydrophobicContact CD1-CD1 3.43Å; Y430-L473 VanDerWaalsContact CD1-CD1 3.43Å; Y430-L473 HydrophobicContact CD2-CD1 4.24Å; Y430-L473 HydrophobicContact CE1-CB 4.35Å; Y430-L473 HydrophobicContact CE1-CD1 3.33Å; Y430-L473 HydrophobicContact CE1-CG 4.44Å; Y430-L473 HydrophobicContact CE2-CD1 4.16Å; Y430-L473 HydrophobicContact CG-CD1 3.9Å; Y430-L473 PolarHBondContact OH-N 3.44Å; V433-L473 HydrophobicContact CG2-CD1 4.3Å; A449-L473 HydrophobicContact CB-CG 4.37Å; Y452-L473 HydrophobicContact CD1-CD2 4.31Å; Y469-L473 WeakPolarHBondContact O-CB 3.42Å; Y469-L473 PolarHBondContact O-N 2.99Å; L471-L473 VanDerWaalsContact C-N 3.28Å; L471-L473 PolarHBondContact O-N 3.48Å; L473-A476 PolarHBondContact O-N 3.15Å; L473-V477 VanDerWaalsContact O-CG2 3.22Å; L473-V477 WeakPolarHBondContact O-CG2 3.43Å; L473-V477 PolarHBondContact O-N 2.91Å; L473-V477 VanDerWaalsContact O-N 3.13Å
474	A	89.1	Confident	82.8	Confident	2 Å²	2	42.2 Å²	42.2	2%	0.017	21%	0.206	C	C	.	.	H	α-helix	trans	-62.8	-46.5	179.1	0	0	0	0	0	112.1	L450 C470 L471 A476 V477 I478 F505	L450-A474 HydrophobicContact CD2-CB 4.26Å; C470-A474 PolarHBondContact O-N 2.85Å; L471-A474 PolarHBondContact O-N 2.98Å; L471-A474 VanDerWaalsContact O-N 3.12Å; A474-A476 PolarHBondContact O-N 3.44Å; A474-V477 PolarHBondContact O-N 3.34Å; A474-I478 WeakPolarHBondContact O-CD1 3.48Å; A474-I478 VanDerWaalsContact O-CG1 3.26Å; A474-I478 WeakPolarHBondContact O-CG1 3.44Å; A474-I478 PolarHBondContact O-N 3.46Å; A474-F505 HydrophobicContact CB-CD2 4.41Å; A474-F505 HydrophobicContact CB-CE2 3.52Å; A474-F505 HydrophobicContact CB-CZ 3.66Å
475	L	89.2	Confident	83.7	Confident	4 Å²	4	43.5 Å²	43.5	2%	0.021	21%	0.214	C	C	.	.	H	α-helix	trans	-61.8	-43.5	177.7	-67.6	175.6	0	0	0	112	L471 V477 I478 R479 F505 V518	L471-L475 HydrophobicContact CD1-CD1 4.13Å; L471-L475 HydrophobicContact CD1-CG 4.23Å; L471-L475 HydrophobicContact CD2-CD1 4.25Å; L471-L475 HydrophobicContact CG-CD1 3.81Å; L471-L475 HydrophobicContact CG-CG 4.25Å; L471-L475 WeakPolarHBondContact O-CG 3.46Å; L471-L475 PolarHBondContact O-N 2.97Å; L475-V477 VanDerWaalsContact C-N 3.29Å; L475-V477 PolarHBondContact O-N 3.12Å; L475-I478 PolarHBondContact O-N 3.11Å; L475-R479 VanDerWaalsContact O-CB 3.32Å; L475-R479 WeakPolarHBondContact O-CB 3.35Å; L475-R479 VanDerWaalsContact O-CG 3.26Å; L475-R479 WeakPolarHBondContact O-CG 3.19Å; L475-R479 PolarHBondContact O-N 3.12Å; L475-F505 HydrophobicContact CD2-CZ 4.5Å; L475-V518 HydrophobicContact CD2-CB 4.15Å; L475-V518 HydrophobicContact CD2-CG1 4.18Å; L475-V518 HydrophobicContact CD2-CG2 4.46Å
476	A	85.5	Confident	84.7	Confident	4 Å²	4	44.2 Å²	44.2	3%	0.033	22%	0.218	C	C	.	.	H	α-helix	trans	-60.7	-40.6	178.6	0	0	0	0	0	111.7	E413 I414 N472 L473 A474 E480	E413-A476 HydrophobicContact CB-CB 3.82Å; I414-A476 HydrophobicContact CG1-CB 3.68Å; N472-A476 WeakPolarHBondContact O-CB 3.23Å; N472-A476 PolarHBondContact O-N 3.02Å; L473-A476 PolarHBondContact O-N 3.15Å; A474-A476 PolarHBondContact O-N 3.44Å; A476-E480 WeakPolarHBondContact O-CB 3.31Å; A476-E480 PolarHBondContact O-N 3.01Å
477	V	89.2	Confident	85.4	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-69.7	-45.8	178.6	175.3	0	0	0	0	111.8	I414 V433 A449 L473 A474 L475 E480 L481	I414-V477 HydrophobicContact CD1-CG2 4.28Å; V433-V477 HydrophobicContact CB-CG2 4.47Å; V433-V477 HydrophobicContact CG1-CG1 4.46Å; V433-V477 HydrophobicContact CG1-CG2 3.41Å; V433-V477 VanDerWaalsContact CG1-CG2 3.41Å; A449-V477 HydrophobicContact CB-CB 4.23Å; A449-V477 HydrophobicContact CB-CG1 4.44Å; A449-V477 HydrophobicContact CB-CG2 4.02Å; L473-V477 VanDerWaalsContact O-CG2 3.22Å; L473-V477 WeakPolarHBondContact O-CG2 3.43Å; L473-V477 PolarHBondContact O-N 2.91Å; L473-V477 VanDerWaalsContact O-N 3.13Å; A474-V477 PolarHBondContact O-N 3.34Å; L475-V477 VanDerWaalsContact C-N 3.29Å; L475-V477 PolarHBondContact O-N 3.12Å; V477-E480 PolarHBondContact O-N 3.17Å; V477-L481 HydrophobicContact CG1-CD1 4.17Å; V477-L481 WeakPolarHBondContact O-CG 3.38Å; V477-L481 PolarHBondContact O-N 3.42Å
478	I	91.2	Very high	86.1	Confident	2 Å²	2	41.4 Å²	41.4	1%	0.01	20%	0.199	C	C	.	.	H	α-helix	trans	-63.9	-45.4	179.7	-61.8	160.8	0	0	0	110	L446 A474 L475 E480 L481 I482 L487 F505 V518 L522	L446-I478 HydrophobicContact CD1-CG1 4.16Å; A474-I478 WeakPolarHBondContact O-CD1 3.48Å; A474-I478 VanDerWaalsContact O-CG1 3.26Å; A474-I478 WeakPolarHBondContact O-CG1 3.44Å; A474-I478 PolarHBondContact O-N 3.46Å; L475-I478 PolarHBondContact O-N 3.11Å; I478-E480 VanDerWaalsContact C-N 3.28Å; I478-E480 PolarHBondContact O-N 2.95Å; I478-L481 PolarHBondContact O-N 3.07Å; I478-L481 VanDerWaalsContact O-N 3.09Å; I478-I482 HydrophobicContact CG2-CD1 3.77Å; I478-I482 HydrophobicContact CG2-CG1 4.35Å; I478-I482 VanDerWaalsContact O-CG1 3.31Å; I478-I482 WeakPolarHBondContact O-CG1 3.43Å; I478-I482 PolarHBondContact O-N 2.87Å; I478-L487 HydrophobicContact CG2-CD1 4.26Å; I478-F505 HydrophobicContact CD1-CE1 3.8Å; I478-F505 HydrophobicContact CD1-CZ 4.29Å; I478-V518 HydrophobicContact CB-CG1 3.77Å; I478-V518 HydrophobicContact CD1-CG1 4.38Å; I478-V518 HydrophobicContact CG2-CG1 3.32Å; I478-L522 HydrophobicContact CD1-CD1 3.61Å; I478-L522 HydrophobicContact CG1-CD1 3.89Å; I478-L522 HydrophobicContact CG2-CD1 3.97Å
479	R	88.8	Confident	86.4	Confident	91 Å²	91	38.7 Å²	38.7	34%	0.343	20%	0.197	S	C	.	.	H	α-helix	trans	-58.4	-39.4	175.3	-73.7	173.9	177.7	164	1	112.3	E413 L475 R483 D514 V518	E413-R479 IonicContact OE1-NH1 3.5Å; E413-R479 PolarHBondContact OE1-NH1 2.99Å; E413-R479 IonicContact OE2-NH1 2.75Å; L475-R479 VanDerWaalsContact O-CB 3.32Å; L475-R479 WeakPolarHBondContact O-CB 3.35Å; L475-R479 VanDerWaalsContact O-CG 3.26Å; L475-R479 WeakPolarHBondContact O-CG 3.19Å; L475-R479 PolarHBondContact O-N 3.12Å; R479-R483 WeakPolarHBondContact O-CB 3.34Å; R479-R483 PolarHBondContact O-N 3.36Å; R479-D514 PolarHBondContact NH2-O 2.64Å; R479-V518 HydrophobicContact CG-CG2 3.98Å
480	E	84.9	Confident	86.8	Confident	3 Å²	3	36.1 Å²	36.1	1%	0.014	19%	0.187	C	C	.	.	H	α-helix	trans	-71.9	-30.9	177.2	-173.5	61	-167.4	0	0	112.6	T412 I414 L437 A476 V477 I478 R483 R484	T412-E480 WeakPolarHBondContact CG2-OE2 3.31Å; I414-E480 HydrophobicContact CD1-CB 3.7Å; I414-E480 HydrophobicContact CD1-CG 4.02Å; L437-E480 HydrophobicContact CD1-CG 4.16Å; A476-E480 WeakPolarHBondContact O-CB 3.31Å; A476-E480 PolarHBondContact O-N 3.01Å; V477-E480 PolarHBondContact O-N 3.17Å; I478-E480 VanDerWaalsContact C-N 3.28Å; I478-E480 PolarHBondContact O-N 2.95Å; E480-R483 IonicContact OE1-NE 2.68Å; E480-R483 IonicContact OE1-NH2 3.33Å; E480-R483 IonicContact OE2-NE 2.81Å; E480-R483 PolarHBondContact OE2-NE 3.27Å; E480-R484 WeakPolarHBondContact O-CB 3.36Å; E480-R484 WeakPolarHBondContact O-CD 3.37Å; E480-R484 WeakPolarHBondContact O-CG 3.38Å; E480-R484 PolarHBondContact O-N 3.44Å; E480-R484 IonicContact OE1-CZ 3.68Å; E480-R484 IonicContact OE1-NE 2.99Å; E480-R484 PolarHBondContact OE1-NE 3.04Å; E480-R484 IonicContact OE1-NH2 3.7Å; E480-R484 PolarHBondContact OE1-NH2 3.43Å; E480-R484 VanDerWaalsContact OE1-NH2 3.14Å
481	L	88	Confident	87.2	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-71.5	-39.9	173.2	-70.6	173.8	0	0	0	112.2	L437 H442 L446 V477 I478 R484 D485 T486 L487 A490	L437-L481 HydrophobicContact CD2-CD2 3.96Å; H442-L481 HydrophobicContact CB-CD2 3.76Å; H442-L481 VanDerWaalsContact ND1-CD2 3.31Å; H442-L481 WeakPolarHBondContact ND1-CD2 3.48Å; L446-L481 HydrophobicContact CB-CD1 4.14Å; L446-L481 HydrophobicContact CD1-CD1 3.66Å; V477-L481 HydrophobicContact CG1-CD1 4.17Å; V477-L481 WeakPolarHBondContact O-CG 3.38Å; V477-L481 PolarHBondContact O-N 3.42Å; I478-L481 PolarHBondContact O-N 3.07Å; I478-L481 VanDerWaalsContact O-N 3.09Å; L481-R484 PolarHBondContact O-N 3.42Å; L481-D485 PolarHBondContact O-N 3.37Å; L481-T486 WeakPolarHBondContact CD2-OG1 3.43Å; L481-T486 PolarHBondContact O-N 2.95Å; L481-T486 PolarHBondContact O-OG1 3.02Å; L481-L487 HydrophobicContact CB-CB 4.24Å; L481-L487 HydrophobicContact CB-CD1 4.12Å; L481-L487 HydrophobicContact CD1-CD1 4.24Å; L481-L487 PolarHBondContact O-N 3.44Å; L481-A490 HydrophobicContact CD1-CB 3.9Å
482	I	87.5	Confident	87.4	Confident	42 Å²	42	37.4 Å²	37.4	22%	0.215	20%	0.2	C	C	.	.	H	α-helix	trans	-60.3	-49.7	172.4	-67.2	159.5	0	0	0	109.3	I478 R484 D485 L487 V518 E521	I478-I482 HydrophobicContact CG2-CD1 3.77Å; I478-I482 HydrophobicContact CG2-CG1 4.35Å; I478-I482 VanDerWaalsContact O-CG1 3.31Å; I478-I482 WeakPolarHBondContact O-CG1 3.43Å; I478-I482 PolarHBondContact O-N 2.87Å; I482-R484 PolarHBondContact O-N 3.28Å; I482-D485 PolarHBondContact O-N 3.17Å; I482-L487 HydrophobicContact CG1-CD2 3.83Å; I482-V518 HydrophobicContact CD1-CG1 4.25Å; I482-E521 HydrophobicContact CD1-CB 4.49Å; I482-E521 WeakPolarHBondContact CD1-OE2 3.5Å; I482-E521 WeakPolarHBondContact CG2-OE2 3.21Å
483	R	84.6	Confident	87.4	Confident	134 Å²	134	37.8 Å²	37.8	51%	0.506	22%	0.221	S	C	.	.	H	α-helix	trans	-57.7	-25.7	178.4	-161.5	-167	82.4	77.6	-1.1	113.7	R479 E480	R479-R483 WeakPolarHBondContact O-CB 3.34Å; R479-R483 PolarHBondContact O-N 3.36Å; E480-R483 IonicContact OE1-NE 2.68Å; E480-R483 IonicContact OE1-NH2 3.33Å; E480-R483 IonicContact OE2-NE 2.81Å; E480-R483 PolarHBondContact OE2-NE 3.27Å
484	R	82.6	Confident	87.6	Confident	46 Å²	46	38.5 Å²	38.5	17%	0.174	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-3.4	-179.5	-71.1	173.3	-175.6	-147.6	2.3	112.9	I408 L437 E480 L481 I482 T486	I408-R484 VanDerWaalsContact CG1-NH2 3.28Å; L437-R484 PolarHBondContact O-NH1 3.47Å; E480-R484 WeakPolarHBondContact O-CB 3.36Å; E480-R484 WeakPolarHBondContact O-CD 3.37Å; E480-R484 WeakPolarHBondContact O-CG 3.38Å; E480-R484 PolarHBondContact O-N 3.44Å; E480-R484 IonicContact OE1-CZ 3.68Å; E480-R484 IonicContact OE1-NE 2.99Å; E480-R484 PolarHBondContact OE1-NE 3.04Å; E480-R484 IonicContact OE1-NH2 3.7Å; E480-R484 PolarHBondContact OE1-NH2 3.43Å; E480-R484 VanDerWaalsContact OE1-NH2 3.14Å; L481-R484 PolarHBondContact O-N 3.42Å; I482-R484 PolarHBondContact O-N 3.28Å; R484-T486 HydrophobicContact CB-CG2 4.1Å; R484-T486 VanDerWaalsContact CB-OG1 3.32Å; R484-T486 WeakPolarHBondContact CB-OG1 3.38Å; R484-T486 WeakPolarHBondContact O-CG2 3.41Å; R484-T486 PolarHBondContact O-N 3.26Å; R484-T486 VanDerWaalsContact O-N 3.15Å
485	D	84	Confident	87.5	Confident	145 Å²	145	43.3 Å²	43.3	78%	0.775	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.9	32.9	-168.2	-63.8	-35.2	0	0	0	113.1	L481 I482	L481-D485 PolarHBondContact O-N 3.37Å; I482-D485 PolarHBondContact O-N 3.17Å
486	T	86.6	Confident	87.5	Confident	28 Å²	28	47.1 Å²	47.1	17%	0.172	27%	0.269	C	S	.	.			trans	-109.2	7	-179.9	51.4	0	0	0	0	112.6	H442 L481 R484 A489 A490	H442-T486 PolarHBondContact ND1-OG1 2.97Å; L481-T486 WeakPolarHBondContact CD2-OG1 3.43Å; L481-T486 PolarHBondContact O-N 2.95Å; L481-T486 PolarHBondContact O-OG1 3.02Å; R484-T486 HydrophobicContact CB-CG2 4.1Å; R484-T486 VanDerWaalsContact CB-OG1 3.32Å; R484-T486 WeakPolarHBondContact CB-OG1 3.38Å; R484-T486 WeakPolarHBondContact O-CG2 3.41Å; R484-T486 PolarHBondContact O-N 3.26Å; R484-T486 VanDerWaalsContact O-N 3.15Å; T486-A489 PolarHBondContact O-N 2.98Å; T486-A490 WeakPolarHBondContact O-CB 3.29Å; T486-A490 PolarHBondContact O-N 3.07Å
487	L	90.8	Very high	87.5	Confident	13 Å²	13	57 Å²	57	7%	0.068	31%	0.306	C	S	.	.	H	α-helix	trans	-62.5	-43.3	177.9	-174.8	65.8	0	0	0	111.4	L446 I478 L481 I482 A489 A490 I491 C525	L446-L487 HydrophobicContact CD1-CD1 4.23Å; I478-L487 HydrophobicContact CG2-CD1 4.26Å; L481-L487 HydrophobicContact CB-CB 4.24Å; L481-L487 HydrophobicContact CB-CD1 4.12Å; L481-L487 HydrophobicContact CD1-CD1 4.24Å; L481-L487 PolarHBondContact O-N 3.44Å; I482-L487 HydrophobicContact CG1-CD2 3.83Å; L487-A489 PolarHBondContact O-N 3.15Å; L487-A490 WeakPolarHBondContact O-CB 3.3Å; L487-A490 PolarHBondContact O-N 3.42Å; L487-I491 HydrophobicContact CD1-CD1 3.95Å; L487-I491 HydrophobicContact CD1-CG1 4.48Å; L487-I491 HydrophobicContact CD2-CD1 4.41Å; L487-I491 HydrophobicContact CG-CD1 3.8Å; L487-I491 WeakPolarHBondContact O-CG1 3.46Å; L487-I491 PolarHBondContact O-N 3.19Å; L487-I491 VanDerWaalsContact O-N 3.09Å; L487-C525 HydrophobicContact CD2-CB 3.94Å; L487-C525 HydrophobicContact CG-CB 4.42Å
488	V	89.6	Confident	87.4	Confident	82 Å²	82	60 Å²	60	50%	0.497	32%	0.32	S	S	.	.	H	α-helix	trans	-56.3	-50	176.1	-179.2	0	0	0	0	110.5	A490 I491 A492 T529	V488-A490 PolarHBondContact O-N 3.23Å; V488-I491 PolarHBondContact O-N 3.29Å; V488-I491 VanDerWaalsContact O-N 3.15Å; V488-A492 WeakPolarHBondContact O-CB 3.39Å; V488-A492 PolarHBondContact O-N 2.84Å; V488-T529 HydrophobicContact CG1-CG2 3.73Å
489	A	86	Confident	87.3	Confident	66 Å²	66	60 Å²	60	55%	0.545	32%	0.32	S	S	.	.	H	α-helix	trans	-65.1	-25.7	177.7	0	0	0	0	0	113.4	T486 L487	T486-A489 PolarHBondContact O-N 2.98Å; L487-A489 PolarHBondContact O-N 3.15Å
490	A	88.5	Confident	87.3	Confident	0 Å²	0	59 Å²	59	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-78.1	-25.6	176.6	0	0	0	0	0	113.1	H442 L481 T486 L487 V488 R494	H442-A490 HydrophobicContact CB-CB 3.8Å; L481-A490 HydrophobicContact CD1-CB 3.9Å; T486-A490 WeakPolarHBondContact O-CB 3.29Å; T486-A490 PolarHBondContact O-N 3.07Å; L487-A490 WeakPolarHBondContact O-CB 3.3Å; L487-A490 PolarHBondContact O-N 3.42Å; V488-A490 PolarHBondContact O-N 3.23Å; A490-R494 PolarHBondContact O-NE 2.96Å; A490-R494 PolarHBondContact O-NH2 3.07Å
491	I	90.5	Very high	87.5	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-95.1	-37	-175.9	-69.9	171	0	0	0	111.5	L487 V488 R494 L522 C525 I526 Y530	L487-I491 HydrophobicContact CD1-CD1 3.95Å; L487-I491 HydrophobicContact CD1-CG1 4.48Å; L487-I491 HydrophobicContact CD2-CD1 4.41Å; L487-I491 HydrophobicContact CG-CD1 3.8Å; L487-I491 WeakPolarHBondContact O-CG1 3.46Å; L487-I491 PolarHBondContact O-N 3.19Å; L487-I491 VanDerWaalsContact O-N 3.09Å; V488-I491 PolarHBondContact O-N 3.29Å; V488-I491 VanDerWaalsContact O-N 3.15Å; I491-R494 VanDerWaalsContact O-CG 3.3Å; I491-R494 WeakPolarHBondContact O-CG 2.82Å; I491-L522 HydrophobicContact CD1-CG 4.27Å; I491-C525 HydrophobicContact CD1-CB 3.96Å; I491-I526 HydrophobicContact CD1-CG1 4.24Å; I491-I526 HydrophobicContact CG2-CG1 3.97Å; I491-Y530 HydrophobicContact CG2-CD2 4.48Å; I491-Y530 HydrophobicContact CG2-CE2 3.88Å; I491-Y530 PolarHBondContact O-OH 2.8Å
492	A	87.8	Confident	87.7	Confident	55 Å²	55	65.4 Å²	65.4	46%	0.455	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	141	-180	0	0	0	0	0	112.7	V488 R494	V488-A492 WeakPolarHBondContact O-CB 3.39Å; V488-A492 PolarHBondContact O-N 2.84Å; A492-R494 PolarHBondContact O-N 3.38Å
493	G	85.3	Confident	88	Confident	77 Å²	77	63.4 Å²	63.4	79%	0.794	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.1	16.6	174	0	0	0	0	0	115.7	Y530	G493-Y530 PolarHBondContact N-OH 3.24Å
494	R	89	Confident	88.2	Confident	15 Å²	15	58.4 Å²	58.4	6%	0.057	32%	0.323	C	S	.	.			trans	-82.1	144	174.3	-70.7	-176	-178.8	-113.7	-13.7	112.9	S443 T447 A490 I491 A492 Q498 L499 Y530	S443-R494 PolarHBondContact O-NH2 3.28Å; T447-R494 PolarHBondContact OG1-NH1 3.33Å; T447-R494 PolarHBondContact OG1-NH2 3.06Å; A490-R494 PolarHBondContact O-NE 2.96Å; A490-R494 PolarHBondContact O-NH2 3.07Å; I491-R494 VanDerWaalsContact O-CG 3.3Å; I491-R494 WeakPolarHBondContact O-CG 2.82Å; A492-R494 PolarHBondContact O-N 3.38Å; R494-Q498 HydrophobicContact CB-CB 4.12Å; R494-Q498 HydrophobicContact CG-CB 4.46Å; R494-L499 HydrophobicContact CB-CD2 4.29Å; R494-L499 HydrophobicContact CB-CG 4.25Å; R494-Y530 WeakPolarHBondContact CA-OH 3.48Å; R494-Y530 WeakPolarHBondContact CB-OH 3.2Å; R494-Y530 PolarHBondContact N-OH 2.95Å; R494-Y530 PolarHBondContact O-OH 3.28Å
495	D	88.5	Confident	88.6	Confident	103 Å²	103	57.4 Å²	57.4	55%	0.551	32%	0.321	S	S	*	.			trans	-72.2	158.4	172.9	-49.4	-37.8	0	0	0	112.6	R497 Q498 L499	D495-R497 PolarHBondContact O-N 3.47Å; D495-R497 VanDerWaalsContact O-N 3.11Å; D495-Q498 HydrophobicContact CB-CG 4.46Å; D495-Q498 WeakPolarHBondContact O-CA 2.97Å; D495-Q498 WeakPolarHBondContact O-CB 3.4Å; D495-Q498 PolarHBondContact O-N 3.17Å; D495-L499 PolarHBondContact O-N 2.95Å
496	N	87.9	Confident	89.1	Confident	84 Å²	84	50.5 Å²	50.5	45%	0.449	28%	0.284	S	S	.	.	H	α-helix	trans	-53.1	-36.6	177.7	-65.7	-6.8	0	0	0	113.6	Q498 L499 E500 I538	N496-Q498 VanDerWaalsContact C-N 3.33Å; N496-Q498 PolarHBondContact O-N 2.9Å; N496-L499 PolarHBondContact O-N 3.22Å; N496-E500 PolarHBondContact O-N 3.42Å; N496-I538 HydrophobicContact CB-CG1 4.43Å
497	R	86.6	Confident	89.3	Confident	212 Å²	212	53.8 Å²	53.8	80%	0.8	29%	0.293	S	S	*	.	H	α-helix	trans	-64.5	-37.7	175.6	-71.5	-177.8	178.8	161.1	0.1	112.4	D495 Y501	D495-R497 PolarHBondContact O-N 3.47Å; D495-R497 VanDerWaalsContact O-N 3.11Å; R497-Y501 WeakPolarHBondContact O-CD2 3.41Å; R497-Y501 PolarHBondContact O-N 3.32Å
498	Q	87.6	Confident	89.3	Confident	63 Å²	63	57.2 Å²	57.2	29%	0.294	31%	0.312	S	S	.	.	H	α-helix	trans	-72.9	-38.4	179.1	-59.6	-175.2	20	0	0	111.1	R494 D495 N496 E500 Y501 I502	R494-Q498 HydrophobicContact CB-CB 4.12Å; R494-Q498 HydrophobicContact CG-CB 4.46Å; D495-Q498 HydrophobicContact CB-CG 4.46Å; D495-Q498 WeakPolarHBondContact O-CA 2.97Å; D495-Q498 WeakPolarHBondContact O-CB 3.4Å; D495-Q498 PolarHBondContact O-N 3.17Å; N496-Q498 VanDerWaalsContact C-N 3.33Å; N496-Q498 PolarHBondContact O-N 2.9Å; Q498-E500 VanDerWaalsContact C-N 3.33Å; Q498-Y501 PolarHBondContact O-N 2.99Å; Q498-I502 PolarHBondContact O-N 3.12Å
499	L	88.6	Confident	89.3	Confident	1 Å²	1	54 Å²	54	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-63.9	-37.9	173.2	-68.1	172.2	0	0	0	111.7	R494 D495 N496 Y501 I502 F503 Y530 I538	R494-L499 HydrophobicContact CB-CD2 4.29Å; R494-L499 HydrophobicContact CB-CG 4.25Å; D495-L499 PolarHBondContact O-N 2.95Å; N496-L499 PolarHBondContact O-N 3.22Å; L499-Y501 VanDerWaalsContact C-N 3.28Å; L499-Y501 PolarHBondContact O-N 3.38Å; L499-I502 HydrophobicContact CD2-CD1 4.27Å; L499-I502 WeakPolarHBondContact O-CB 3.49Å; L499-I502 PolarHBondContact O-N 3.44Å; L499-F503 HydrophobicContact CB-CD2 4.37Å; L499-F503 HydrophobicContact CB-CE2 4.23Å; L499-F503 WeakPolarHBondContact O-CD2 3.47Å; L499-F503 PolarHBondContact O-N 3.48Å; L499-Y530 HydrophobicContact CD1-CE1 4.06Å; L499-Y530 HydrophobicContact CD1-CE2 4.19Å; L499-Y530 HydrophobicContact CD2-CE2 3.87Å; L499-I538 HydrophobicContact CB-CD1 3.88Å; L499-I538 HydrophobicContact CD1-CD1 3.5Å; L499-I538 HydrophobicContact CG-CD1 4.34Å
500	E	88.5	Confident	89.5	Confident	69 Å²	69	51.7 Å²	51.7	32%	0.322	27%	0.27	S	S	.	.	H	α-helix	trans	-60	-36.6	175.7	-163.3	74.4	-168.7	0	0	112.1	N496 Q498 G504 I538 G540	N496-E500 PolarHBondContact O-N 3.42Å; Q498-E500 VanDerWaalsContact C-N 3.33Å; E500-G504 PolarHBondContact O-N 3.24Å; E500-I538 WeakPolarHBondContact OE2-CG2 3.23Å; E500-G540 WeakPolarHBondContact OE1-CA 3.43Å; E500-G540 PolarHBondContact OE1-N 3.03Å; E500-G540 PolarHBondContact OE2-N 3.38Å
501	Y	88.4	Confident	89.3	Confident	138 Å²	138	59.2 Å²	59.2	54%	0.541	30%	0.299	S	S	.	.	H	α-helix	trans	-66.5	-37.3	173.4	-70.3	-64	0	0	0	112.7	R497 Q498 L499 G504 F505	R497-Y501 WeakPolarHBondContact O-CD2 3.41Å; R497-Y501 PolarHBondContact O-N 3.32Å; Q498-Y501 PolarHBondContact O-N 2.99Å; L499-Y501 VanDerWaalsContact C-N 3.28Å; L499-Y501 PolarHBondContact O-N 3.38Å; Y501-G504 PolarHBondContact O-N 2.78Å; Y501-F505 PolarHBondContact O-N 3.07Å
502	I	92.4	Very high	89.3	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-67.8	-48.7	177.5	-67.8	164.7	0	0	0	109.9	L446 L450 Q498 L499 G504 F505 I506 L522 I526	L446-I502 HydrophobicContact CD2-CD1 4.12Å; L446-I502 HydrophobicContact CD2-CG1 4.25Å; L450-I502 HydrophobicContact CD1-CB 4.46Å; L450-I502 HydrophobicContact CD1-CG1 3.57Å; Q498-I502 PolarHBondContact O-N 3.12Å; L499-I502 HydrophobicContact CD2-CD1 4.27Å; L499-I502 WeakPolarHBondContact O-CB 3.49Å; L499-I502 PolarHBondContact O-N 3.44Å; I502-G504 VanDerWaalsContact C-N 3.29Å; I502-G504 PolarHBondContact O-N 3.21Å; I502-F505 WeakPolarHBondContact O-CA 3.41Å; I502-F505 WeakPolarHBondContact O-CB 3.17Å; I502-F505 PolarHBondContact O-N 2.89Å; I502-I506 HydrophobicContact CG2-CD1 4.04Å; I502-I506 HydrophobicContact CG2-CG1 4.47Å; I502-I506 WeakPolarHBondContact O-CG1 3.24Å; I502-I506 PolarHBondContact O-N 3.16Å; I502-L522 HydrophobicContact CG2-CD2 3.28Å; I502-I526 HydrophobicContact CG2-CD1 3.65Å
503	F	93.3	Very high	89.1	Confident	1 Å²	1	70.3 Å²	70.3	0%	0.004	33%	0.334	C	S	.	.	H	α-helix	trans	-61.5	-38.4	174.9	-72.9	-59.1	0	0	0	112	L499 F505 I506 Y507 Y523 I526 L535 I538 F541 V544	L499-F503 HydrophobicContact CB-CD2 4.37Å; L499-F503 HydrophobicContact CB-CE2 4.23Å; L499-F503 WeakPolarHBondContact O-CD2 3.47Å; L499-F503 PolarHBondContact O-N 3.48Å; F503-F505 VanDerWaalsContact C-N 3.29Å; F503-F505 PolarHBondContact O-N 3.45Å; F503-I506 HydrophobicContact CD1-CD1 4.19Å; F503-I506 PolarHBondContact O-N 2.96Å; F503-Y507 WeakPolarHBondContact O-CB 3.42Å; F503-Y507 PolarHBondContact O-N 2.84Å; F503-Y523 HydrophobicContact CE1-CD2 4.17Å; F503-Y523 HydrophobicContact CE1-CE2 4.17Å; F503-I526 HydrophobicContact CE1-CD1 4.17Å; F503-I526 HydrophobicContact CE1-CG2 4.5Å; F503-I526 HydrophobicContact CZ-CD1 4.28Å; F503-I526 HydrophobicContact CZ-CG2 3.89Å; F503-L535 HydrophobicContact CE2-CD2 4.39Å; F503-L535 HydrophobicContact CZ-CD2 4.05Å; F503-I538 HydrophobicContact CD2-CG2 3.79Å; F503-I538 HydrophobicContact CE2-CD1 4.22Å; F503-I538 HydrophobicContact CE2-CG2 3.96Å; F503-F541 HydrophobicContact CD2-CB 4.4Å; F503-F541 HydrophobicContact CE1-CB 4.22Å; F503-F541 AromaticContact CE1-CD2 3.84Å; F503-F541 HydrophobicContact CE1-CD2 3.84Å; F503-F541 HydrophobicContact CE2-CB 3.94Å; F503-F541 HydrophobicContact CZ-CB 3.84Å; F503-F541 AromaticContact CZ-CD2 3.75Å; F503-F541 HydrophobicContact CZ-CD2 3.75Å; F503-F541 HydrophobicContact CZ-CG 4.25Å; F503-V544 HydrophobicContact CB-CG2 4.26Å; F503-V544 HydrophobicContact CD1-CB 4.41Å; F503-V544 HydrophobicContact CD1-CG2 4.1Å
504	G	90.4	Very high	89	Confident	28 Å²	28	72.2 Å²	72.2	29%	0.289	33%	0.326	S	S	.	.	H	α-helix	trans	-61.6	-35.8	172.2	0	0	0	0	0	113	E500 Y501 I502 N508	E500-G504 PolarHBondContact O-N 3.24Å; Y501-G504 PolarHBondContact O-N 2.78Å; I502-G504 VanDerWaalsContact C-N 3.29Å; I502-G504 PolarHBondContact O-N 3.21Å; G504-N508 WeakPolarHBondContact O-CB 3.33Å; G504-N508 VanDerWaalsContact O-CG 3.27Å; G504-N508 PolarHBondContact O-N 3.49Å; G504-N508 PolarHBondContact O-ND2 2.66Å
505	F	91.2	Very high	89	Confident	26 Å²	26	71.5 Å²	71.5	11%	0.114	32%	0.323	C	S	.	.	H	α-helix	trans	-69.7	-45.6	173.8	175.7	-94.4	0	0	0	112.2	L450 L471 A474 L475 I478 Y501 I502 F503 N508 N509	L450-F505 HydrophobicContact CD2-CB 3.75Å; L450-F505 HydrophobicContact CD2-CD1 3.89Å; L450-F505 HydrophobicContact CD2-CD2 3.55Å; L450-F505 HydrophobicContact CD2-CE1 4.4Å; L450-F505 HydrophobicContact CD2-CE2 4.1Å; L450-F505 HydrophobicContact CD2-CG 3.43Å; L450-F505 VanDerWaalsContact CD2-CG 3.43Å; L450-F505 HydrophobicContact CD2-CZ 4.5Å; L471-F505 HydrophobicContact CD1-CE2 4.17Å; L471-F505 HydrophobicContact CD1-CZ 4.22Å; A474-F505 HydrophobicContact CB-CD2 4.41Å; A474-F505 HydrophobicContact CB-CE2 3.52Å; A474-F505 HydrophobicContact CB-CZ 3.66Å; L475-F505 HydrophobicContact CD2-CZ 4.5Å; I478-F505 HydrophobicContact CD1-CE1 3.8Å; I478-F505 HydrophobicContact CD1-CZ 4.29Å; Y501-F505 PolarHBondContact O-N 3.07Å; I502-F505 WeakPolarHBondContact O-CA 3.41Å; I502-F505 WeakPolarHBondContact O-CB 3.17Å; I502-F505 PolarHBondContact O-N 2.89Å; F503-F505 VanDerWaalsContact C-N 3.29Å; F503-F505 PolarHBondContact O-N 3.45Å; F505-N508 PolarHBondContact O-N 3.43Å; F505-N509 VanDerWaalsContact CD2-ND2 3.3Å; F505-N509 WeakPolarHBondContact CD2-ND2 3.43Å; F505-N509 VanDerWaalsContact CE2-ND2 3.29Å; F505-N509 WeakPolarHBondContact CE2-ND2 3.4Å; F505-N509 WeakPolarHBondContact O-CB 3.36Å; F505-N509 PolarHBondContact O-N 2.88Å; F505-N509 PolarHBondContact O-ND2 2.94Å
506	I	93.3	Very high	89.1	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-59.2	-52.6	176.9	-67.2	170.9	0	0	0	109.8	I502 F503 N508 N509 I510 C519 L522 Y523 I526 V544	I502-I506 HydrophobicContact CG2-CD1 4.04Å; I502-I506 HydrophobicContact CG2-CG1 4.47Å; I502-I506 WeakPolarHBondContact O-CG1 3.24Å; I502-I506 PolarHBondContact O-N 3.16Å; F503-I506 HydrophobicContact CD1-CD1 4.19Å; F503-I506 PolarHBondContact O-N 2.96Å; I506-N508 PolarHBondContact O-N 3.2Å; I506-N509 PolarHBondContact O-N 2.86Å; I506-N509 VanDerWaalsContact O-N 3.07Å; I506-I510 HydrophobicContact CG2-CD1 3.23Å; I506-I510 HydrophobicContact CG2-CG1 3.7Å; I506-I510 WeakPolarHBondContact O-CG1 3.37Å; I506-I510 PolarHBondContact O-N 3.37Å; I506-C519 HydrophobicContact CG2-CB 4.48Å; I506-L522 HydrophobicContact CD1-CD2 3.61Å; I506-L522 HydrophobicContact CG1-CD2 4.05Å; I506-Y523 HydrophobicContact CD1-CD2 4.46Å; I506-I526 HydrophobicContact CD1-CD1 4.03Å; I506-V544 HydrophobicContact CB-CG2 4.48Å; I506-V544 HydrophobicContact CG2-CG1 3.76Å; I506-V544 HydrophobicContact CG2-CG2 4.22Å
507	Y	91.9	Very high	89.2	Confident	96 Å²	96	67.5 Å²	67.5	38%	0.376	31%	0.314	S	S	.	.	H	α-helix	trans	-52.7	-44.5	180	-175.6	-96.6	0	0	0	111.3	F503 N509 W511 K543 V544 L547	F503-Y507 WeakPolarHBondContact O-CB 3.42Å; F503-Y507 PolarHBondContact O-N 2.84Å; Y507-N509 PolarHBondContact O-N 3.46Å; Y507-W511 WeakPolarHBondContact O-CZ3 3.1Å; Y507-K543 HydrophobicContact CD2-CB 4.25Å; Y507-K543 HydrophobicContact CE2-CB 4.27Å; Y507-V544 HydrophobicContact CD2-CG2 4.31Å; Y507-L547 HydrophobicContact CD2-CD1 3.81Å; Y507-L547 HydrophobicContact CE2-CB 4.28Å; Y507-L547 HydrophobicContact CE2-CD1 3.53Å
508	N	89.3	Confident	89.5	Confident	86 Å²	86	58 Å²	58	46%	0.46	28%	0.28	S	S	.	.	H	α-helix	trans	-79.7	-10.1	-176.7	-71.3	-41.2	0	0	0	115.4	G504 F505 I506 W511	G504-N508 WeakPolarHBondContact O-CB 3.33Å; G504-N508 VanDerWaalsContact O-CG 3.27Å; G504-N508 PolarHBondContact O-N 3.49Å; G504-N508 PolarHBondContact O-ND2 2.66Å; F505-N508 PolarHBondContact O-N 3.43Å; I506-N508 PolarHBondContact O-N 3.2Å; N508-W511 VanDerWaalsContact CA-CH2 3.44Å; N508-W511 HydrophobicContact CB-CH2 4.4Å; N508-W511 WeakPolarHBondContact O-CH2 3.2Å; N508-W511 WeakPolarHBondContact O-CZ2 3.49Å
509	N	90.1	Very high	89.7	Confident	13 Å²	13	55 Å²	55	7%	0.07	27%	0.266	C	S	.	.	H	α-helix	trans	-130.8	-3.9	-171	-62.9	-65	0	0	0	114.9	L471 F505 I506 Y507 W511 R512 S515	L471-N509 HydrophobicContact CD1-CB 4.26Å; L471-N509 VanDerWaalsContact CD1-OD1 3.24Å; L471-N509 WeakPolarHBondContact CD1-OD1 3.22Å; F505-N509 VanDerWaalsContact CD2-ND2 3.3Å; F505-N509 WeakPolarHBondContact CD2-ND2 3.43Å; F505-N509 VanDerWaalsContact CE2-ND2 3.29Å; F505-N509 WeakPolarHBondContact CE2-ND2 3.4Å; F505-N509 WeakPolarHBondContact O-CB 3.36Å; F505-N509 PolarHBondContact O-N 2.88Å; F505-N509 PolarHBondContact O-ND2 2.94Å; I506-N509 PolarHBondContact O-N 2.86Å; I506-N509 VanDerWaalsContact O-N 3.07Å; Y507-N509 PolarHBondContact O-N 3.46Å; N509-W511 VanDerWaalsContact C-N 3.29Å; N509-W511 PolarHBondContact O-N 2.84Å; N509-R512 PolarHBondContact O-N 3.13Å; N509-R512 PolarHBondContact OD1-NH1 3.33Å; N509-S515 PolarHBondContact O-OG 3.37Å
510	I	89.6	Confident	89.9	Confident	18 Å²	18	58.1 Å²	58.1	9%	0.092	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-40.4	177.4	-89	169.5	0	0	0	112.3	I506 R512 S516 C519 V544 L547 L548	I506-I510 HydrophobicContact CG2-CD1 3.23Å; I506-I510 HydrophobicContact CG2-CG1 3.7Å; I506-I510 WeakPolarHBondContact O-CG1 3.37Å; I506-I510 PolarHBondContact O-N 3.37Å; I510-R512 PolarHBondContact O-N 3.44Å; I510-S516 VanDerWaalsContact O-CB 3.24Å; I510-S516 WeakPolarHBondContact O-CB 3.48Å; I510-C519 HydrophobicContact CG1-CB 3.97Å; I510-V544 HydrophobicContact CD1-CG1 4.1Å; I510-L547 HydrophobicContact CB-CD2 4.5Å; I510-L547 HydrophobicContact CD1-CD2 4.37Å; I510-L547 HydrophobicContact CG2-CD2 3.91Å; I510-L548 HydrophobicContact CD1-CD2 3.97Å; I510-L548 HydrophobicContact CD1-CG 4.36Å
511	W	85.7	Confident	90.1	Very high	159 Å²	159	59.8 Å²	59.8	60%	0.602	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-9.5	-174.6	58.8	78.3	0	0	0	114.3	Y507 N508 N509	Y507-W511 WeakPolarHBondContact O-CZ3 3.1Å; N508-W511 VanDerWaalsContact CA-CH2 3.44Å; N508-W511 HydrophobicContact CB-CH2 4.4Å; N508-W511 WeakPolarHBondContact O-CH2 3.2Å; N508-W511 WeakPolarHBondContact O-CZ2 3.49Å; N509-W511 VanDerWaalsContact C-N 3.29Å; N509-W511 PolarHBondContact O-N 2.84Å
512	R	89	Confident	90.3	Very high	95 Å²	95	53.2 Å²	53.2	36%	0.358	26%	0.264	S	S	.	.	S	Bend	trans	-85.6	129	-179.8	-79	176.6	170.6	175.9	-8.3	110	L471 N509 I510 D514 S515 S516	L471-R512 VanDerWaalsContact CD2-NH1 3.31Å; N509-R512 PolarHBondContact O-N 3.13Å; N509-R512 PolarHBondContact OD1-NH1 3.33Å; I510-R512 PolarHBondContact O-N 3.44Å; R512-D514 VanDerWaalsContact C-N 3.26Å; R512-D514 PolarHBondContact O-N 3.05Å; R512-S515 WeakPolarHBondContact CB-OG 3.42Å; R512-S515 PolarHBondContact O-N 2.87Å; R512-S515 VanDerWaalsContact O-N 3.13Å; R512-S515 PolarHBondContact O-OG 2.93Å; R512-S516 WeakPolarHBondContact O-CB 3.43Å; R512-S516 PolarHBondContact O-N 3.32Å
513	K	85.3	Confident	90.4	Very high	192 Å²	192	54.2 Å²	54.2	84%	0.835	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	-41.4	-178	-174.8	178.5	177.3	179.3	0	113.5	S516	K513-S516 PolarHBondContact O-OG 2.91Å
514	D	82.7	Confident	90.4	Very high	117 Å²	117	59 Å²	59	63%	0.626	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-22.2	-174.2	-57.4	-24.8	0	0	0	113.6	R479 R512	R479-D514 PolarHBondContact NH2-O 2.64Å; R512-D514 VanDerWaalsContact C-N 3.26Å; R512-D514 PolarHBondContact O-N 3.05Å
515	S	89.4	Confident	90.5	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-15.2	-173.6	50.2	0	0	0	0	114.5	N509 R512 A517 V518 C519	N509-S515 PolarHBondContact O-OG 3.37Å; R512-S515 WeakPolarHBondContact CB-OG 3.42Å; R512-S515 PolarHBondContact O-N 2.87Å; R512-S515 VanDerWaalsContact O-N 3.13Å; R512-S515 PolarHBondContact O-OG 2.93Å; S515-A517 PolarHBondContact O-N 3.08Å; S515-V518 PolarHBondContact O-N 2.97Å; S515-C519 WeakPolarHBondContact O-CB 3.48Å; S515-C519 PolarHBondContact O-N 3.32Å; S515-C519 PolarHBondContact O-SG 3.05Å
516	S	89.7	Confident	90.6	Very high	40 Å²	40	57 Å²	57	28%	0.28	28%	0.275	S	S	.	.	H	α-helix	trans	-53.7	-53.6	-175.3	59	0	0	0	0	112.3	I510 R512 K513 V518 C519 L520	I510-S516 VanDerWaalsContact O-CB 3.24Å; I510-S516 WeakPolarHBondContact O-CB 3.48Å; R512-S516 WeakPolarHBondContact O-CB 3.43Å; R512-S516 PolarHBondContact O-N 3.32Å; K513-S516 PolarHBondContact O-OG 2.91Å; S516-V518 PolarHBondContact O-N 2.85Å; S516-C519 PolarHBondContact O-N 2.97Å; S516-L520 WeakPolarHBondContact O-CG 3.39Å; S516-L520 PolarHBondContact O-N 3.01Å
517	A	90.5	Very high	90.6	Very high	64 Å²	64	60.2 Å²	60.2	53%	0.529	29%	0.292	S	S	.	.	H	α-helix	trans	-58.8	-44.7	-179.8	0	0	0	0	0	112.4	S515 C519 L520 E521	S515-A517 PolarHBondContact O-N 3.08Å; A517-C519 PolarHBondContact O-N 3.49Å; A517-L520 PolarHBondContact O-N 3.28Å; A517-E521 PolarHBondContact O-N 2.86Å
518	V	92	Very high	90.6	Very high	12 Å²	12	62.3 Å²	62.3	7%	0.073	31%	0.31	C	S	.	.	H	α-helix	trans	-67.4	-37.6	-179.7	-177.9	0	0	0	0	111.4	L475 I478 R479 I482 S515 S516 L522	L475-V518 HydrophobicContact CD2-CB 4.15Å; L475-V518 HydrophobicContact CD2-CG1 4.18Å; L475-V518 HydrophobicContact CD2-CG2 4.46Å; I478-V518 HydrophobicContact CB-CG1 3.77Å; I478-V518 HydrophobicContact CD1-CG1 4.38Å; I478-V518 HydrophobicContact CG2-CG1 3.32Å; R479-V518 HydrophobicContact CG-CG2 3.98Å; I482-V518 HydrophobicContact CD1-CG1 4.25Å; S515-V518 PolarHBondContact O-N 2.97Å; S516-V518 PolarHBondContact O-N 2.85Å; V518-L522 WeakPolarHBondContact O-CB 3.36Å; V518-L522 PolarHBondContact O-N 3.03Å
519	C	92.6	Very high	90.7	Very high	1 Å²	1	60.4 Å²	60.4	1%	0.007	30%	0.301	C	S	.	.	H	α-helix	trans	-69.5	-36.6	176.9	-65.6	0	0	0	0	111.9	I506 I510 S515 S516 A517 L522 Y523	I506-C519 HydrophobicContact CG2-CB 4.48Å; I510-C519 HydrophobicContact CG1-CB 3.97Å; S515-C519 WeakPolarHBondContact O-CB 3.48Å; S515-C519 PolarHBondContact O-N 3.32Å; S515-C519 PolarHBondContact O-SG 3.05Å; S516-C519 PolarHBondContact O-N 2.97Å; A517-C519 PolarHBondContact O-N 3.49Å; C519-L522 PolarHBondContact O-N 3.09Å; C519-Y523 WeakPolarHBondContact O-CB 3.33Å; C519-Y523 PolarHBondContact O-N 3.15Å
520	L	92.6	Very high	90.8	Very high	65 Å²	65	61.1 Å²	61.1	34%	0.34	30%	0.303	S	S	.	.	H	α-helix	trans	-66.7	-46	175.2	-73.2	173	0	0	0	111.4	S516 A517 L522 Y523 H524 L548	S516-L520 WeakPolarHBondContact O-CG 3.39Å; S516-L520 PolarHBondContact O-N 3.01Å; A517-L520 PolarHBondContact O-N 3.28Å; L520-L522 VanDerWaalsContact C-N 3.28Å; L520-L522 PolarHBondContact O-N 3.38Å; L520-Y523 WeakPolarHBondContact O-CB 3.33Å; L520-Y523 PolarHBondContact O-N 3.26Å; L520-Y523 VanDerWaalsContact O-N 3.15Å; L520-H524 PolarHBondContact O-CD2 3.44Å; L520-H524 PolarHBondContact O-N 3.41Å; L520-L548 HydrophobicContact CD2-CD2 4.02Å
521	E	92	Very high	90.9	Very high	104 Å²	104	64.1 Å²	64.1	49%	0.486	32%	0.322	S	S	.	.	H	α-helix	trans	-59.3	-41.4	173.9	-79.5	-163.8	-174.5	0	0	112	I482 A517 Y523 H524 C525	I482-E521 HydrophobicContact CD1-CB 4.49Å; I482-E521 WeakPolarHBondContact CD1-OE2 3.5Å; I482-E521 WeakPolarHBondContact CG2-OE2 3.21Å; A517-E521 PolarHBondContact O-N 2.86Å; E521-Y523 VanDerWaalsContact C-N 3.34Å; E521-Y523 PolarHBondContact O-N 3.32Å; E521-H524 PolarHBondContact O-N 3.04Å; E521-C525 WeakPolarHBondContact O-CB 3.38Å; E521-C525 PolarHBondContact O-N 3.25Å
522	L	93.5	Very high	90.9	Very high	1 Å²	1	60 Å²	60	1%	0.005	32%	0.322	C	S	.	.	H	α-helix	trans	-63.7	-41.1	176.5	-165.1	151.9	0	0	0	111.4	I478 I491 I502 I506 V518 C519 L520 C525 I526	I478-L522 HydrophobicContact CD1-CD1 3.61Å; I478-L522 HydrophobicContact CG1-CD1 3.89Å; I478-L522 HydrophobicContact CG2-CD1 3.97Å; I491-L522 HydrophobicContact CD1-CG 4.27Å; I502-L522 HydrophobicContact CG2-CD2 3.28Å; I506-L522 HydrophobicContact CD1-CD2 3.61Å; I506-L522 HydrophobicContact CG1-CD2 4.05Å; V518-L522 WeakPolarHBondContact O-CB 3.36Å; V518-L522 PolarHBondContact O-N 3.03Å; C519-L522 PolarHBondContact O-N 3.09Å; L520-L522 VanDerWaalsContact C-N 3.28Å; L520-L522 PolarHBondContact O-N 3.38Å; L522-C525 PolarHBondContact O-N 3.04Å; L522-I526 HydrophobicContact CD2-CD1 3.62Å; L522-I526 HydrophobicContact CD2-CG1 4.3Å; L522-I526 WeakPolarHBondContact O-CG1 3.34Å; L522-I526 PolarHBondContact O-N 3.5Å
523	Y	94.1	Very high	90.9	Very high	20 Å²	20	63 Å²	63	8%	0.078	34%	0.34	C	S	.	.	H	α-helix	trans	-63.6	-46.2	175.6	-178.2	-104.4	0	0	0	112.2	F503 I506 C519 L520 E521 C525 I526 L527 F541 V544 T545 L548	F503-Y523 HydrophobicContact CE1-CD2 4.17Å; F503-Y523 HydrophobicContact CE1-CE2 4.17Å; I506-Y523 HydrophobicContact CD1-CD2 4.46Å; C519-Y523 WeakPolarHBondContact O-CB 3.33Å; C519-Y523 PolarHBondContact O-N 3.15Å; L520-Y523 WeakPolarHBondContact O-CB 3.33Å; L520-Y523 PolarHBondContact O-N 3.26Å; L520-Y523 VanDerWaalsContact O-N 3.15Å; E521-Y523 VanDerWaalsContact C-N 3.34Å; E521-Y523 PolarHBondContact O-N 3.32Å; Y523-C525 VanDerWaalsContact C-N 3.31Å; Y523-C525 PolarHBondContact O-N 3.39Å; Y523-I526 WeakPolarHBondContact O-CB 3.37Å; Y523-I526 PolarHBondContact O-N 3.05Å; Y523-I526 VanDerWaalsContact O-N 3.16Å; Y523-L527 HydrophobicContact CD1-CD1 3.89Å; Y523-L527 HydrophobicContact CD1-CG 4.42Å; Y523-L527 HydrophobicContact CE1-CD1 3.45Å; Y523-L527 VanDerWaalsContact CE1-CD1 3.45Å; Y523-L527 HydrophobicContact CE1-CG 4.1Å; Y523-L527 PolarHBondContact O-N 2.85Å; Y523-F541 HydrophobicContact CE2-CD2 4.13Å; Y523-F541 AromaticContact CE2-CE2 3.96Å; Y523-F541 HydrophobicContact CE2-CE2 3.96Å; Y523-F541 WeakPolarHBondContact OH-CE2 3.34Å; Y523-V544 HydrophobicContact CD2-CG1 3.96Å; Y523-V544 HydrophobicContact CE2-CG1 3.85Å; Y523-T545 PolarHBondContact OH-OG1 2.9Å; Y523-L548 HydrophobicContact CD1-CD1 3.92Å; Y523-L548 HydrophobicContact CE1-CD1 3.62Å; Y523-L548 HydrophobicContact CE2-CD1 4.34Å; Y523-L548 HydrophobicContact CG-CD1 4.39Å
524	H	94.1	Very high	91	Very high	101 Å²	101	58 Å²	58	47%	0.468	32%	0.32	S	S	.	.	H	α-helix	trans	-61	-40.6	174.4	-74.1	-60	0	0	0	112	L520 E521 I526 L527 N528	L520-H524 PolarHBondContact O-CD2 3.44Å; L520-H524 PolarHBondContact O-N 3.41Å; E521-H524 PolarHBondContact O-N 3.04Å; H524-I526 VanDerWaalsContact C-N 3.3Å; H524-I526 PolarHBondContact O-N 3.38Å; H524-L527 PolarHBondContact O-N 3.44Å; H524-N528 VanDerWaalsContact O-CG 3.26Å; H524-N528 PolarHBondContact O-N 3.4Å
525	C	92.9	Very high	91.2	Very high	12 Å²	12	52.5 Å²	52.5	8%	0.081	29%	0.291	C	S	.	.	H	α-helix	trans	-61.1	-40	175.6	-168.8	0	0	0	0	111.5	L487 I491 E521 L522 Y523 N528 T529	L487-C525 HydrophobicContact CD2-CB 3.94Å; L487-C525 HydrophobicContact CG-CB 4.42Å; I491-C525 HydrophobicContact CD1-CB 3.96Å; E521-C525 WeakPolarHBondContact O-CB 3.38Å; E521-C525 PolarHBondContact O-N 3.25Å; L522-C525 PolarHBondContact O-N 3.04Å; Y523-C525 VanDerWaalsContact C-N 3.31Å; Y523-C525 PolarHBondContact O-N 3.39Å; C525-N528 PolarHBondContact O-N 2.81Å; C525-T529 VanDerWaalsContact O-CG2 3.28Å; C525-T529 WeakPolarHBondContact O-CG2 3.44Å; C525-T529 PolarHBondContact O-N 2.85Å; C525-T529 VanDerWaalsContact O-N 3.13Å; C525-T529 PolarHBondContact O-OG1 3.48Å
526	I	93.4	Very high	91.2	Very high	1 Å²	1	57.8 Å²	57.8	1%	0.005	32%	0.323	C	S	.	.	H	α-helix	trans	-63.3	-47.8	175.6	-67.1	165	0	0	0	110.9	I491 I502 F503 I506 L522 Y523 H524 N528 T529 Y530 L535	I491-I526 HydrophobicContact CD1-CG1 4.24Å; I491-I526 HydrophobicContact CG2-CG1 3.97Å; I502-I526 HydrophobicContact CG2-CD1 3.65Å; F503-I526 HydrophobicContact CE1-CD1 4.17Å; F503-I526 HydrophobicContact CE1-CG2 4.5Å; F503-I526 HydrophobicContact CZ-CD1 4.28Å; F503-I526 HydrophobicContact CZ-CG2 3.89Å; I506-I526 HydrophobicContact CD1-CD1 4.03Å; L522-I526 HydrophobicContact CD2-CD1 3.62Å; L522-I526 HydrophobicContact CD2-CG1 4.3Å; L522-I526 WeakPolarHBondContact O-CG1 3.34Å; L522-I526 PolarHBondContact O-N 3.5Å; Y523-I526 WeakPolarHBondContact O-CB 3.37Å; Y523-I526 PolarHBondContact O-N 3.05Å; Y523-I526 VanDerWaalsContact O-N 3.16Å; H524-I526 VanDerWaalsContact C-N 3.3Å; H524-I526 PolarHBondContact O-N 3.38Å; I526-N528 PolarHBondContact O-N 3.34Å; I526-T529 WeakPolarHBondContact CA-OG1 3.47Å; I526-T529 PolarHBondContact O-N 3.21Å; I526-T529 PolarHBondContact O-OG1 2.89Å; I526-Y530 HydrophobicContact CG2-CD2 4.16Å; I526-Y530 PolarHBondContact O-N 3.44Å; I526-L535 HydrophobicContact CG2-CD2 3.79Å
527	L	92.3	Very high	91.1	Very high	67 Å²	67	63.4 Å²	63.4	35%	0.351	34%	0.342	S	S	.	.	H	α-helix	trans	-58.3	-36.1	178.3	-72.1	177.8	0	0	0	112.6	Y523 H524 L535 F541	Y523-L527 HydrophobicContact CD1-CD1 3.89Å; Y523-L527 HydrophobicContact CD1-CG 4.42Å; Y523-L527 HydrophobicContact CE1-CD1 3.45Å; Y523-L527 VanDerWaalsContact CE1-CD1 3.45Å; Y523-L527 HydrophobicContact CE1-CG 4.1Å; Y523-L527 PolarHBondContact O-N 2.85Å; H524-L527 PolarHBondContact O-N 3.44Å; L527-L535 HydrophobicContact CD2-CD1 3.88Å; L527-F541 HydrophobicContact CD2-CE2 3.86Å; L527-F541 HydrophobicContact CD2-CZ 4.22Å
528	N	92.6	Very high	91.1	Very high	141 Å²	141	60.6 Å²	60.6	75%	0.754	32%	0.318	S	S	*	.	H	α-helix	trans	-76.8	-24.2	178.1	-67.9	-11.4	0	0	0	112.9	H524 C525 I526	H524-N528 VanDerWaalsContact O-CG 3.26Å; H524-N528 PolarHBondContact O-N 3.4Å; C525-N528 PolarHBondContact O-N 2.81Å; I526-N528 PolarHBondContact O-N 3.34Å
529	T	91.2	Very high	91.1	Very high	45 Å²	45	68.8 Å²	68.8	28%	0.276	35%	0.348	S	S	.	.	H	α-helix	trans	-92.4	-32.3	-176.7	50.3	0	0	0	0	114.7	V488 C525 I526	V488-T529 HydrophobicContact CG1-CG2 3.73Å; C525-T529 VanDerWaalsContact O-CG2 3.28Å; C525-T529 WeakPolarHBondContact O-CG2 3.44Å; C525-T529 PolarHBondContact O-N 2.85Å; C525-T529 VanDerWaalsContact O-N 3.13Å; C525-T529 PolarHBondContact O-OG1 3.48Å; I526-T529 WeakPolarHBondContact CA-OG1 3.47Å; I526-T529 PolarHBondContact O-N 3.21Å; I526-T529 PolarHBondContact O-OG1 2.89Å
530	Y	92.7	Very high	91	Very high	28 Å²	28	69 Å²	69	11%	0.11	35%	0.349	C	S	.	.	S	Bend	trans	-114.4	146.2	-174.5	-74.4	-84.9	0	0	0	110.7	I491 G493 R494 L499 I526 E534 L535	I491-Y530 HydrophobicContact CG2-CD2 4.48Å; I491-Y530 HydrophobicContact CG2-CE2 3.88Å; I491-Y530 PolarHBondContact O-OH 2.8Å; G493-Y530 PolarHBondContact N-OH 3.24Å; R494-Y530 WeakPolarHBondContact CA-OH 3.48Å; R494-Y530 WeakPolarHBondContact CB-OH 3.2Å; R494-Y530 PolarHBondContact N-OH 2.95Å; R494-Y530 PolarHBondContact O-OH 3.28Å; L499-Y530 HydrophobicContact CD1-CE1 4.06Å; L499-Y530 HydrophobicContact CD1-CE2 4.19Å; L499-Y530 HydrophobicContact CD2-CE2 3.87Å; I526-Y530 HydrophobicContact CG2-CD2 4.16Å; I526-Y530 PolarHBondContact O-N 3.44Å; Y530-E534 WeakPolarHBondContact CD1-OE2 3.41Å; Y530-L535 HydrophobicContact CG-CD2 4.46Å
531	T	90.5	Very high	91	Very high	81 Å²	81	67.4 Å²	67.4	50%	0.497	34%	0.34	S	S	.	.			trans	-74.9	155.5	177.4	62.2	0	0	0	0	111.1	E533 E534 L535	T531-E533 PolarHBondContact O-N 3.37Å; T531-E534 PolarHBondContact N-OE2 2.99Å; T531-E534 VanDerWaalsContact N-OE2 3.1Å; T531-E534 PolarHBondContact O-N 3.06Å; T531-E534 VanDerWaalsContact O-N 3.17Å; T531-E534 VanDerWaalsContact OG1-CG 3.32Å; T531-E534 WeakPolarHBondContact OG1-CG 3.39Å; T531-E534 PolarHBondContact OG1-OE2 3.05Å; T531-E534 VanDerWaalsContact OG1-OE2 3.07Å; T531-L535 WeakPolarHBondContact O-CG 3.32Å; T531-L535 PolarHBondContact O-N 3.45Å
532	A	86.5	Confident	91	Very high	74 Å²	74	65.3 Å²	65.3	61%	0.612	34%	0.34	S	S	*	.	H	α-helix	trans	-57.6	-36.9	178.5	0	0	0	0	0	112.2	E534 L535 V536	A532-E534 VanDerWaalsContact C-N 3.33Å; A532-E534 PolarHBondContact O-N 3.15Å; A532-L535 PolarHBondContact O-N 3.01Å; A532-V536 VanDerWaalsContact O-CG2 3.25Å; A532-V536 WeakPolarHBondContact O-CG2 3.11Å; A532-V536 PolarHBondContact O-N 2.93Å; A532-V536 VanDerWaalsContact O-N 3.07Å
533	E	88.2	Confident	91	Very high	157 Å²	157	69.8 Å²	69.8	73%	0.734	36%	0.36	S	S	*	.	H	α-helix	trans	-63.7	-35.2	179.2	-62.4	-176.3	-174.3	0	0	113.3	T531	T531-E533 PolarHBondContact O-N 3.37Å
534	E	86.7	Confident	91	Very high	86 Å²	86	68.9 Å²	68.9	40%	0.402	36%	0.356	S	S	.	.	H	α-helix	trans	-72.9	-40.6	176.6	-69.5	170.8	142.6	0	0	111.3	Y530 T531 A532 K537	Y530-E534 WeakPolarHBondContact CD1-OE2 3.41Å; T531-E534 PolarHBondContact N-OE2 2.99Å; T531-E534 VanDerWaalsContact N-OE2 3.1Å; T531-E534 PolarHBondContact O-N 3.06Å; T531-E534 VanDerWaalsContact O-N 3.17Å; T531-E534 VanDerWaalsContact OG1-CG 3.32Å; T531-E534 WeakPolarHBondContact OG1-CG 3.39Å; T531-E534 PolarHBondContact OG1-OE2 3.05Å; T531-E534 VanDerWaalsContact OG1-OE2 3.07Å; A532-E534 VanDerWaalsContact C-N 3.33Å; A532-E534 PolarHBondContact O-N 3.15Å; E534-K537 PolarHBondContact O-N 3.43Å
535	L	88.6	Confident	90.9	Very high	3 Å²	3	65.5 Å²	65.5	2%	0.016	34%	0.343	C	S	.	.	H	α-helix	trans	-70.8	-34.5	-176.9	-68	176	0	0	0	113.1	F503 I526 L527 Y530 T531 A532 K537 I538 F541	F503-L535 HydrophobicContact CE2-CD2 4.39Å; F503-L535 HydrophobicContact CZ-CD2 4.05Å; I526-L535 HydrophobicContact CG2-CD2 3.79Å; L527-L535 HydrophobicContact CD2-CD1 3.88Å; Y530-L535 HydrophobicContact CG-CD2 4.46Å; T531-L535 WeakPolarHBondContact O-CG 3.32Å; T531-L535 PolarHBondContact O-N 3.45Å; A532-L535 PolarHBondContact O-N 3.01Å; L535-K537 PolarHBondContact O-N 3.3Å; L535-I538 HydrophobicContact CD2-CD1 4.36Å; L535-I538 WeakPolarHBondContact O-CB 3.43Å; L535-I538 PolarHBondContact O-N 3.05Å; L535-F541 HydrophobicContact CB-CD1 3.96Å; L535-F541 HydrophobicContact CB-CD2 4.3Å; L535-F541 HydrophobicContact CB-CE1 4.07Å; L535-F541 HydrophobicContact CB-CE2 4.39Å; L535-F541 HydrophobicContact CB-CG 4.08Å; L535-F541 HydrophobicContact CB-CZ 4.29Å; L535-F541 HydrophobicContact CD1-CE2 4.14Å; L535-F541 HydrophobicContact CD1-CZ 4.38Å; L535-F541 WeakPolarHBondContact O-CD1 3.26Å
536	V	88.2	Confident	91	Very high	111 Å²	111	73.3 Å²	73.3	67%	0.673	37%	0.371	S	S	*	.	H	α-helix	trans	-60.8	-28.4	178.4	169.1	0	0	0	0	112.2	A532 I538	A532-V536 VanDerWaalsContact O-CG2 3.25Å; A532-V536 WeakPolarHBondContact O-CG2 3.11Å; A532-V536 PolarHBondContact O-N 2.93Å; A532-V536 VanDerWaalsContact O-N 3.07Å; V536-I538 PolarHBondContact O-N 3.29Å
537	K	88	Confident	90.9	Very high	158 Å²	158	74.7 Å²	74.7	69%	0.687	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-14.6	177.5	-62.7	174.8	-174	171.9	0	113	E534 L535	E534-K537 PolarHBondContact O-N 3.43Å; L535-K537 PolarHBondContact O-N 3.3Å
538	I	91.1	Very high	90.9	Very high	4 Å²	4	73.1 Å²	73.1	2%	0.021	37%	0.37	C	S	.	.			trans	-99.7	115.5	-171.2	-55.2	175.2	0	0	0	109.5	N496 L499 E500 F503 L535 V536 G540 F541	N496-I538 HydrophobicContact CB-CG1 4.43Å; L499-I538 HydrophobicContact CB-CD1 3.88Å; L499-I538 HydrophobicContact CD1-CD1 3.5Å; L499-I538 HydrophobicContact CG-CD1 4.34Å; E500-I538 WeakPolarHBondContact OE2-CG2 3.23Å; F503-I538 HydrophobicContact CD2-CG2 3.79Å; F503-I538 HydrophobicContact CE2-CD1 4.22Å; F503-I538 HydrophobicContact CE2-CG2 3.96Å; L535-I538 HydrophobicContact CD2-CD1 4.36Å; L535-I538 WeakPolarHBondContact O-CB 3.43Å; L535-I538 PolarHBondContact O-N 3.05Å; V536-I538 PolarHBondContact O-N 3.29Å; I538-G540 PolarHBondContact O-N 3.45Å; I538-F541 HydrophobicContact CB-CB 4.24Å; I538-F541 WeakPolarHBondContact O-CB 3.1Å; I538-F541 PolarHBondContact O-N 3.25Å; I538-F541 VanDerWaalsContact O-N 3.14Å
539	R	92	Very high	90.9	Very high	185 Å²	185	72.3 Å²	72.3	70%	0.698	36%	0.361	S	S	*	.	H	α-helix	trans	-61.4	-34.4	-179.9	-170.9	179.8	-179.1	-173.7	2.4	112.1	F541 K543	R539-F541 VanDerWaalsContact C-N 3.32Å; R539-F541 PolarHBondContact O-N 2.85Å; R539-K543 PolarHBondContact O-N 2.76Å
540	G	89.8	Confident	91	Very high	4 Å²	4	74.9 Å²	74.9	4%	0.041	37%	0.373	C	S	.	.	H	α-helix	trans	-60.9	-38	176.4	0	0	0	0	0	113.3	E500 I538 K543 V544	E500-G540 WeakPolarHBondContact OE1-CA 3.43Å; E500-G540 PolarHBondContact OE1-N 3.03Å; E500-G540 PolarHBondContact OE2-N 3.38Å; I538-G540 PolarHBondContact O-N 3.45Å; G540-K543 PolarHBondContact O-N 3.27Å; G540-V544 WeakPolarHBondContact O-CG2 3.33Å; G540-V544 PolarHBondContact O-N 2.88Å; G540-V544 VanDerWaalsContact O-N 3.14Å
541	F	93.7	Very high	90.8	Very high	32 Å²	32	75.7 Å²	75.7	14%	0.14	38%	0.381	C	S	.	.	H	α-helix	trans	-61.5	-53.5	177.7	175.1	-110.1	0	0	0	110.8	F503 Y523 L527 L535 I538 R539 K543 V544 T545	F503-F541 HydrophobicContact CD2-CB 4.4Å; F503-F541 HydrophobicContact CE1-CB 4.22Å; F503-F541 AromaticContact CE1-CD2 3.84Å; F503-F541 HydrophobicContact CE1-CD2 3.84Å; F503-F541 HydrophobicContact CE2-CB 3.94Å; F503-F541 HydrophobicContact CZ-CB 3.84Å; F503-F541 AromaticContact CZ-CD2 3.75Å; F503-F541 HydrophobicContact CZ-CD2 3.75Å; F503-F541 HydrophobicContact CZ-CG 4.25Å; Y523-F541 HydrophobicContact CE2-CD2 4.13Å; Y523-F541 AromaticContact CE2-CE2 3.96Å; Y523-F541 HydrophobicContact CE2-CE2 3.96Å; Y523-F541 WeakPolarHBondContact OH-CE2 3.34Å; L527-F541 HydrophobicContact CD2-CE2 3.86Å; L527-F541 HydrophobicContact CD2-CZ 4.22Å; L535-F541 HydrophobicContact CB-CD1 3.96Å; L535-F541 HydrophobicContact CB-CD2 4.3Å; L535-F541 HydrophobicContact CB-CE1 4.07Å; L535-F541 HydrophobicContact CB-CE2 4.39Å; L535-F541 HydrophobicContact CB-CG 4.08Å; L535-F541 HydrophobicContact CB-CZ 4.29Å; L535-F541 HydrophobicContact CD1-CE2 4.14Å; L535-F541 HydrophobicContact CD1-CZ 4.38Å; L535-F541 WeakPolarHBondContact O-CD1 3.26Å; I538-F541 HydrophobicContact CB-CB 4.24Å; I538-F541 WeakPolarHBondContact O-CB 3.1Å; I538-F541 PolarHBondContact O-N 3.25Å; I538-F541 VanDerWaalsContact O-N 3.14Å; R539-F541 VanDerWaalsContact C-N 3.32Å; R539-F541 PolarHBondContact O-N 2.85Å; F541-K543 PolarHBondContact O-N 2.92Å; F541-K543 VanDerWaalsContact O-N 3.14Å; F541-V544 PolarHBondContact O-N 3.43Å; F541-T545 PolarHBondContact O-N 3.42Å; F541-T545 PolarHBondContact O-OG1 2.96Å
542	A	91.5	Very high	90.8	Very high	60 Å²	60	75.6 Å²	75.6	50%	0.496	38%	0.383	S	S	.	.	H	α-helix	trans	-55.5	-36.1	179	0	0	0	0	0	113.3	R546	A542-R546 VanDerWaalsContact O-CB 3.29Å; A542-R546 WeakPolarHBondContact O-CB 3.34Å; A542-R546 PolarHBondContact O-N 3.47Å; A542-R546 VanDerWaalsContact O-N 3.09Å
543	K	93.4	Very high	91.2	Very high	95 Å²	95	75.2 Å²	75.2	41%	0.413	38%	0.376	S	S	.	.	H	α-helix	trans	-68.1	-43	176.1	-71.7	177.7	179.1	177	0	112.8	Y507 R539 G540 F541 L547	Y507-K543 HydrophobicContact CD2-CB 4.25Å; Y507-K543 HydrophobicContact CE2-CB 4.27Å; R539-K543 PolarHBondContact O-N 2.76Å; G540-K543 PolarHBondContact O-N 3.27Å; F541-K543 PolarHBondContact O-N 2.92Å; F541-K543 VanDerWaalsContact O-N 3.14Å; K543-L547 WeakPolarHBondContact O-CB 3.4Å; K543-L547 PolarHBondContact O-N 3.25Å; K543-L547 VanDerWaalsContact O-N 3.09Å
544	V	93.7	Very high	91.4	Very high	1 Å²	1	72.2 Å²	72.2	1%	0.006	37%	0.365	C	S	.	.	H	α-helix	trans	-69.3	-44.6	179.7	172.4	0	0	0	0	110.3	F503 I506 Y507 I510 Y523 G540 F541 R546 L547 L548	F503-V544 HydrophobicContact CB-CG2 4.26Å; F503-V544 HydrophobicContact CD1-CB 4.41Å; F503-V544 HydrophobicContact CD1-CG2 4.1Å; I506-V544 HydrophobicContact CB-CG2 4.48Å; I506-V544 HydrophobicContact CG2-CG1 3.76Å; I506-V544 HydrophobicContact CG2-CG2 4.22Å; Y507-V544 HydrophobicContact CD2-CG2 4.31Å; I510-V544 HydrophobicContact CD1-CG1 4.1Å; Y523-V544 HydrophobicContact CD2-CG1 3.96Å; Y523-V544 HydrophobicContact CE2-CG1 3.85Å; G540-V544 WeakPolarHBondContact O-CG2 3.33Å; G540-V544 PolarHBondContact O-N 2.88Å; G540-V544 VanDerWaalsContact O-N 3.14Å; F541-V544 PolarHBondContact O-N 3.43Å; V544-R546 PolarHBondContact O-N 3.48Å; V544-L547 WeakPolarHBondContact O-CB 3.19Å; V544-L547 PolarHBondContact O-N 3Å; V544-L547 VanDerWaalsContact O-N 3.13Å; V544-L548 HydrophobicContact CG1-CD1 4.04Å; V544-L548 HydrophobicContact CG1-CG 4.41Å; V544-L548 WeakPolarHBondContact O-CG 3.45Å; V544-L548 PolarHBondContact O-N 3.38Å
545	T	93	Very high	91.5	Very high	30 Å²	30	75.4 Å²	75.4	18%	0.184	38%	0.378	C	S	.	.	H	α-helix	trans	-59.8	-47.4	177.8	-47.5	0	0	0	0	111.1	Y523 F541 L547 L548 E549	Y523-T545 PolarHBondContact OH-OG1 2.9Å; F541-T545 PolarHBondContact O-N 3.42Å; F541-T545 PolarHBondContact O-OG1 2.96Å; T545-L547 VanDerWaalsContact C-N 3.28Å; T545-L547 PolarHBondContact O-N 3.27Å; T545-L548 PolarHBondContact O-N 3.46Å; T545-L548 VanDerWaalsContact O-N 3.12Å; T545-E549 WeakPolarHBondContact O-CG 3.3Å; T545-E549 PolarHBondContact O-N 2.87Å
546	R	93.4	Very high	91.7	Very high	177 Å²	177	82.2 Å²	82.2	67%	0.668	40%	0.404	S	S	*	.	H	α-helix	trans	-59.8	-38.3	175.3	-172.6	177.1	-177.9	175	1.2	112.5	A542 V544 L550	A542-R546 VanDerWaalsContact O-CB 3.29Å; A542-R546 WeakPolarHBondContact O-CB 3.34Å; A542-R546 PolarHBondContact O-N 3.47Å; A542-R546 VanDerWaalsContact O-N 3.09Å; V544-R546 PolarHBondContact O-N 3.48Å; R546-L550 HydrophobicContact CG-CD1 4.27Å; R546-L550 WeakPolarHBondContact O-CB 3.45Å; R546-L550 WeakPolarHBondContact O-CD1 3.44Å; R546-L550 VanDerWaalsContact O-CG 3.25Å; R546-L550 WeakPolarHBondContact O-CG 3.44Å; R546-L550 PolarHBondContact O-N 3.48Å
547	L	92.3	Very high	92	Very high	30 Å²	30	79.2 Å²	79.2	16%	0.157	39%	0.387	C	S	.	.	H	α-helix	trans	-65.2	-44.4	175.5	-176.7	149.2	0	0	0	111.1	Y507 I510 K543 V544 T545 L550 T551	Y507-L547 HydrophobicContact CD2-CD1 3.81Å; Y507-L547 HydrophobicContact CE2-CB 4.28Å; Y507-L547 HydrophobicContact CE2-CD1 3.53Å; I510-L547 HydrophobicContact CB-CD2 4.5Å; I510-L547 HydrophobicContact CD1-CD2 4.37Å; I510-L547 HydrophobicContact CG2-CD2 3.91Å; K543-L547 WeakPolarHBondContact O-CB 3.4Å; K543-L547 PolarHBondContact O-N 3.25Å; K543-L547 VanDerWaalsContact O-N 3.09Å; V544-L547 WeakPolarHBondContact O-CB 3.19Å; V544-L547 PolarHBondContact O-N 3Å; V544-L547 VanDerWaalsContact O-N 3.13Å; T545-L547 VanDerWaalsContact C-N 3.28Å; T545-L547 PolarHBondContact O-N 3.27Å; L547-L550 PolarHBondContact O-N 3.07Å; L547-T551 HydrophobicContact CD2-CG2 4.12Å; L547-T551 WeakPolarHBondContact O-CG2 3.44Å; L547-T551 PolarHBondContact O-N 3.34Å; L547-T551 PolarHBondContact O-OG1 2.99Å
548	L	91.6	Very high	92.2	Very high	34 Å²	34	76.4 Å²	76.4	18%	0.178	38%	0.378	C	S	.	.	H	α-helix	trans	-63.7	-42.4	178.3	-72.3	172.8	0	0	0	111.9	I510 L520 Y523 V544 T545 T551 S552	I510-L548 HydrophobicContact CD1-CD2 3.97Å; I510-L548 HydrophobicContact CD1-CG 4.36Å; L520-L548 HydrophobicContact CD2-CD2 4.02Å; Y523-L548 HydrophobicContact CD1-CD1 3.92Å; Y523-L548 HydrophobicContact CE1-CD1 3.62Å; Y523-L548 HydrophobicContact CE2-CD1 4.34Å; Y523-L548 HydrophobicContact CG-CD1 4.39Å; V544-L548 HydrophobicContact CG1-CD1 4.04Å; V544-L548 HydrophobicContact CG1-CG 4.41Å; V544-L548 WeakPolarHBondContact O-CG 3.45Å; V544-L548 PolarHBondContact O-N 3.38Å; T545-L548 PolarHBondContact O-N 3.46Å; T545-L548 VanDerWaalsContact O-N 3.12Å; L548-T551 VanDerWaalsContact CA-OG1 3.32Å; L548-T551 WeakPolarHBondContact CA-OG1 3.46Å; L548-T551 PolarHBondContact O-N 2.86Å; L548-T551 PolarHBondContact O-OG1 3.49Å; L548-S552 WeakPolarHBondContact O-CB 3.49Å; L548-S552 PolarHBondContact O-N 3.06Å
549	E	92.4	Very high	92.3	Very high	124 Å²	124	77.7 Å²	77.7	58%	0.579	39%	0.393	S	S	*	.	H	α-helix	trans	-59.8	-47.3	174.2	-73.6	170.5	-179.2	0	0	112	T545 T551 S552 S553	T545-E549 WeakPolarHBondContact O-CG 3.3Å; T545-E549 PolarHBondContact O-N 2.87Å; E549-T551 VanDerWaalsContact C-N 3.34Å; E549-T551 PolarHBondContact O-N 3.45Å; E549-S552 PolarHBondContact O-N 3.31Å; E549-S553 WeakPolarHBondContact O-CB 3.37Å; E549-S553 PolarHBondContact O-N 2.86Å
550	L	92.9	Very high	92.2	Very high	98 Å²	98	75.4 Å²	75.4	51%	0.513	38%	0.384	S	S	.	.	H	α-helix	trans	-61	-42.7	175.8	-74.1	167.6	0	0	0	111.5	R546 L547 S553 N554	R546-L550 HydrophobicContact CG-CD1 4.27Å; R546-L550 WeakPolarHBondContact O-CB 3.45Å; R546-L550 WeakPolarHBondContact O-CD1 3.44Å; R546-L550 VanDerWaalsContact O-CG 3.25Å; R546-L550 WeakPolarHBondContact O-CG 3.44Å; R546-L550 PolarHBondContact O-N 3.48Å; L547-L550 PolarHBondContact O-N 3.07Å; L550-S553 PolarHBondContact O-N 3.47Å; L550-N554 WeakPolarHBondContact O-CB 3.28Å; L550-N554 PolarHBondContact O-N 3.02Å; L550-N554 PolarHBondContact O-ND2 3.11Å
551	T	88.5	Confident	92.3	Very high	46 Å²	46	79.5 Å²	79.5	28%	0.282	40%	0.404	S	S	.	.	H	α-helix	trans	-65.6	-41.2	177.2	55.4	0	0	0	0	112.1	L547 L548 E549 N554 F555	L547-T551 HydrophobicContact CD2-CG2 4.12Å; L547-T551 WeakPolarHBondContact O-CG2 3.44Å; L547-T551 PolarHBondContact O-N 3.34Å; L547-T551 PolarHBondContact O-OG1 2.99Å; L548-T551 VanDerWaalsContact CA-OG1 3.32Å; L548-T551 WeakPolarHBondContact CA-OG1 3.46Å; L548-T551 PolarHBondContact O-N 2.86Å; L548-T551 PolarHBondContact O-OG1 3.49Å; E549-T551 VanDerWaalsContact C-N 3.34Å; E549-T551 PolarHBondContact O-N 3.45Å; T551-N554 PolarHBondContact O-N 3.41Å; T551-F555 WeakPolarHBondContact O-CD2 3.45Å; T551-F555 PolarHBondContact O-N 2.98Å
552	S	91.2	Very high	92.2	Very high	79 Å²	79	82 Å²	82	55%	0.552	42%	0.422	S	S	*	.	H	α-helix	trans	-61.8	-44.8	176.5	-176.4	0	0	0	0	111.2	L548 E549 N554 F555 Y556	L548-S552 WeakPolarHBondContact O-CB 3.49Å; L548-S552 PolarHBondContact O-N 3.06Å; E549-S552 PolarHBondContact O-N 3.31Å; S552-N554 VanDerWaalsContact C-N 3.34Å; S552-N554 PolarHBondContact O-N 3.18Å; S552-F555 PolarHBondContact O-N 3.31Å; S552-Y556 WeakPolarHBondContact O-CB 3.44Å; S552-Y556 PolarHBondContact O-N 3.31Å
553	S	94.7	Very high	91.9	Very high	66 Å²	66	84.2 Å²	84.2	46%	0.462	43%	0.425	S	S	.	.	H	α-helix	trans	-59.4	-44.1	174.6	-171.1	0	0	0	0	111.9	E549 L550 Y556 T557	E549-S553 WeakPolarHBondContact O-CB 3.37Å; E549-S553 PolarHBondContact O-N 2.86Å; L550-S553 PolarHBondContact O-N 3.47Å; S553-Y556 PolarHBondContact O-N 2.84Å; S553-T557 WeakPolarHBondContact O-CG2 3.35Å; S553-T557 PolarHBondContact O-N 2.94Å; S553-T557 PolarHBondContact O-OG1 2.85Å
554	N	92.3	Very high	91.6	Very high	93 Å²	93	83.5 Å²	83.5	50%	0.497	43%	0.429	S	S	.	.	H	α-helix	trans	-64.6	-40.2	176.4	-70.2	-16.7	0	0	0	112.7	L550 T551 S552 Y556 T557 L558	L550-N554 WeakPolarHBondContact O-CB 3.28Å; L550-N554 PolarHBondContact O-N 3.02Å; L550-N554 PolarHBondContact O-ND2 3.11Å; T551-N554 PolarHBondContact O-N 3.41Å; S552-N554 VanDerWaalsContact C-N 3.34Å; S552-N554 PolarHBondContact O-N 3.18Å; N554-Y556 VanDerWaalsContact C-N 3.33Å; N554-T557 WeakPolarHBondContact CA-OG1 3.44Å; N554-T557 PolarHBondContact O-N 2.92Å; N554-T557 PolarHBondContact O-OG1 3.37Å; N554-L558 WeakPolarHBondContact O-CB 3.49Å; N554-L558 VanDerWaalsContact O-CG 3.26Å; N554-L558 WeakPolarHBondContact O-CG 3.25Å; N554-L558 PolarHBondContact O-N 3.14Å
555	F	90	Very high	91.1	Very high	153 Å²	153	88.2 Å²	88.2	67%	0.671	45%	0.453	S	S	*	.	H	α-helix	trans	-66.2	-37.8	175.2	-82.3	-66.9	0	0	0	111.7	T551 S552 L558 G559	T551-F555 WeakPolarHBondContact O-CD2 3.45Å; T551-F555 PolarHBondContact O-N 2.98Å; S552-F555 PolarHBondContact O-N 3.31Å; F555-L558 PolarHBondContact O-N 3.41Å; F555-G559 PolarHBondContact O-N 3.09Å
556	Y	92.1	Very high	90.5	Very high	146 Å²	146	90 Å²	90	57%	0.573	46%	0.464	S	S	*	.	H	α-helix	trans	-66.5	-41.5	176	-177.3	-102.2	0	0	0	112.4	S552 S553 N554 G559 R560	S552-Y556 WeakPolarHBondContact O-CB 3.44Å; S552-Y556 PolarHBondContact O-N 3.31Å; S553-Y556 PolarHBondContact O-N 2.84Å; N554-Y556 VanDerWaalsContact C-N 3.33Å; Y556-G559 PolarHBondContact O-N 2.9Å; Y556-R560 HydrophobicContact CE1-CG 4.38Å; Y556-R560 VanDerWaalsContact CE1-NE 3.35Å; Y556-R560 PolarHBondContact O-N 2.88Å
557	T	93.9	Very high	89.8	Confident	49 Å²	49	89.2 Å²	89.2	30%	0.301	46%	0.462	S	S	.	.	H	α-helix	trans	-66.8	-42	175	54.2	0	0	0	0	111.8	S553 N554 G559 R560 I561	S553-T557 WeakPolarHBondContact O-CG2 3.35Å; S553-T557 PolarHBondContact O-N 2.94Å; S553-T557 PolarHBondContact O-OG1 2.85Å; N554-T557 WeakPolarHBondContact CA-OG1 3.44Å; N554-T557 PolarHBondContact O-N 2.92Å; N554-T557 PolarHBondContact O-OG1 3.37Å; T557-G559 VanDerWaalsContact C-N 3.34Å; T557-G559 PolarHBondContact O-N 3.01Å; T557-R560 PolarHBondContact O-N 3.06Å; T557-I561 WeakPolarHBondContact O-CG1 3.32Å; T557-I561 PolarHBondContact O-N 3.16Å
558	L	93.4	Very high	88.9	Confident	98 Å²	98	94.2 Å²	94.2	51%	0.513	48%	0.484	S	S	.	.	H	α-helix	trans	-62	-40.9	173.9	-73.6	173.4	0	0	0	112.1	N554 F555 R560 I561 V562	N554-L558 WeakPolarHBondContact O-CB 3.49Å; N554-L558 VanDerWaalsContact O-CG 3.26Å; N554-L558 WeakPolarHBondContact O-CG 3.25Å; N554-L558 PolarHBondContact O-N 3.14Å; F555-L558 PolarHBondContact O-N 3.41Å; L558-R560 PolarHBondContact O-N 3Å; L558-I561 PolarHBondContact O-N 3.13Å; L558-V562 WeakPolarHBondContact O-CG2 3.35Å; L558-V562 PolarHBondContact O-N 3.41Å
559	G	92.8	Very high	87.7	Confident	31 Å²	31	95.9 Å²	95.9	32%	0.32	50%	0.499	S	S	.	.	H	α-helix	trans	-56.3	-49.6	173.5	0	0	0	0	0	111.6	F555 Y556 T557 I561 V562 D563	F555-G559 PolarHBondContact O-N 3.09Å; Y556-G559 PolarHBondContact O-N 2.9Å; T557-G559 VanDerWaalsContact C-N 3.34Å; T557-G559 PolarHBondContact O-N 3.01Å; G559-I561 VanDerWaalsContact C-N 3.32Å; G559-I561 PolarHBondContact O-N 3.27Å; G559-V562 PolarHBondContact O-N 2.88Å; G559-V562 VanDerWaalsContact O-N 3.16Å; G559-D563 VanDerWaalsContact O-CG 3.26Å; G559-D563 PolarHBondContact O-N 3.36Å
560	R	90.6	Very high	86.4	Confident	137 Å²	137	97 Å²	97	52%	0.517	50%	0.504	S	S	.	.	H	α-helix	trans	-59.8	-39.4	175.9	-72	-162.7	-75.1	179.7	-4.2	113.1	Y556 T557 L558 D563 T564	Y556-R560 HydrophobicContact CE1-CG 4.38Å; Y556-R560 VanDerWaalsContact CE1-NE 3.35Å; Y556-R560 PolarHBondContact O-N 2.88Å; T557-R560 PolarHBondContact O-N 3.06Å; L558-R560 PolarHBondContact O-N 3Å; R560-D563 PolarHBondContact O-N 3.25Å; R560-T564 WeakPolarHBondContact O-CG2 3.41Å; R560-T564 PolarHBondContact O-N 3.25Å; R560-T564 PolarHBondContact O-OG1 3.02Å
561	I	91.6	Very high	84.8	Confident	90 Å²	90	96.8 Å²	96.8	46%	0.462	50%	0.503	S	S	.	.	H	α-helix	trans	-64.9	-45.2	176.6	-65.8	168.2	0	0	0	110.3	T557 L558 G559 D563 T564 I565	T557-I561 WeakPolarHBondContact O-CG1 3.32Å; T557-I561 PolarHBondContact O-N 3.16Å; L558-I561 PolarHBondContact O-N 3.13Å; G559-I561 VanDerWaalsContact C-N 3.32Å; G559-I561 PolarHBondContact O-N 3.27Å; I561-D563 VanDerWaalsContact C-N 3.33Å; I561-D563 PolarHBondContact O-N 2.91Å; I561-T564 WeakPolarHBondContact CA-OG1 3.45Å; I561-T564 PolarHBondContact O-N 2.98Å; I561-T564 PolarHBondContact O-OG1 3.05Å; I561-I565 HydrophobicContact CG2-CD1 3.84Å; I561-I565 HydrophobicContact CG2-CG1 4.47Å; I561-I565 WeakPolarHBondContact O-CG1 3.34Å; I561-I565 PolarHBondContact O-N 3.12Å
562	V	91.5	Very high	83.1	Confident	84 Å²	84	100.2 Å²	100.2	51%	0.509	52%	0.519	S	S	.	.	H	α-helix	trans	-60.5	-44.5	176.5	172.3	0	0	0	0	110.7	L558 G559 T564 I565 V566	L558-V562 WeakPolarHBondContact O-CG2 3.35Å; L558-V562 PolarHBondContact O-N 3.41Å; G559-V562 PolarHBondContact O-N 2.88Å; G559-V562 VanDerWaalsContact O-N 3.16Å; V562-T564 VanDerWaalsContact C-N 3.3Å; V562-T564 PolarHBondContact O-N 3.32Å; V562-I565 PolarHBondContact O-N 2.89Å; V562-I565 VanDerWaalsContact O-N 3.13Å; V562-V566 HydrophobicContact CG1-CG2 4.17Å; V562-V566 WeakPolarHBondContact O-CB 3.47Å; V562-V566 VanDerWaalsContact O-CG2 3.31Å; V562-V566 WeakPolarHBondContact O-CG2 3.36Å; V562-V566 PolarHBondContact O-N 3.4Å
563	D	85.2	Confident	81	Confident	107 Å²	107	101.6 Å²	101.6	57%	0.572	53%	0.526	S	S	*	.	H	α-helix	trans	-59.8	-41.1	176.7	-66.3	-23.2	0	0	0	111.5	G559 R560 I561 V566 Y567	G559-D563 VanDerWaalsContact O-CG 3.26Å; G559-D563 PolarHBondContact O-N 3.36Å; R560-D563 PolarHBondContact O-N 3.25Å; I561-D563 VanDerWaalsContact C-N 3.33Å; I561-D563 PolarHBondContact O-N 2.91Å; D563-V566 PolarHBondContact O-N 3.43Å; D563-Y567 VanDerWaalsContact O-CB 3.22Å; D563-Y567 WeakPolarHBondContact O-CB 3.47Å; D563-Y567 PolarHBondContact O-N 2.95Å
564	T	85.6	Confident	78.8	Confident	80 Å²	80	108.1 Å²	108.1	49%	0.491	54%	0.542	S	S	.	.	H	α-helix	trans	-66.1	-38	175.5	58.2	0	0	0	0	112.9	R560 I561 V562 Q568	R560-T564 WeakPolarHBondContact O-CG2 3.41Å; R560-T564 PolarHBondContact O-N 3.25Å; R560-T564 PolarHBondContact O-OG1 3.02Å; I561-T564 WeakPolarHBondContact CA-OG1 3.45Å; I561-T564 PolarHBondContact O-N 2.98Å; I561-T564 PolarHBondContact O-OG1 3.05Å; V562-T564 VanDerWaalsContact C-N 3.3Å; V562-T564 PolarHBondContact O-N 3.32Å; T564-Q568 WeakPolarHBondContact O-CG 3.41Å; T564-Q568 PolarHBondContact O-N 3.13Å
565	I	83.5	Confident	76.6	Confident	101 Å²	101	107.4 Å²	107.4	52%	0.518	54%	0.544	S	S	.	.	H	α-helix	trans	-67.8	-44.6	176.8	-67.8	165.7	0	0	0	110.2	I561 V562 Y567 Q568 S569	I561-I565 HydrophobicContact CG2-CD1 3.84Å; I561-I565 HydrophobicContact CG2-CG1 4.47Å; I561-I565 WeakPolarHBondContact O-CG1 3.34Å; I561-I565 PolarHBondContact O-N 3.12Å; V562-I565 PolarHBondContact O-N 2.89Å; V562-I565 VanDerWaalsContact O-N 3.13Å; I565-Y567 VanDerWaalsContact C-N 3.35Å; I565-Q568 PolarHBondContact O-N 3.47Å; I565-S569 WeakPolarHBondContact O-CB 3.31Å; I565-S569 PolarHBondContact O-N 3.19Å
566	V	80.4	Confident	74.6	Confident	66 Å²	66	108.5 Å²	108.5	40%	0.4	55%	0.549	S	S	.	.	H	α-helix	trans	-62.3	-44.9	177.3	171.1	0	0	0	0	110	V562 D563 Q568 S569 H570	V562-V566 HydrophobicContact CG1-CG2 4.17Å; V562-V566 WeakPolarHBondContact O-CB 3.47Å; V562-V566 VanDerWaalsContact O-CG2 3.31Å; V562-V566 WeakPolarHBondContact O-CG2 3.36Å; V562-V566 PolarHBondContact O-N 3.4Å; D563-V566 PolarHBondContact O-N 3.43Å; V566-Q568 PolarHBondContact O-N 2.91Å; V566-S569 WeakPolarHBondContact CA-OG 3.28Å; V566-S569 PolarHBondContact O-N 2.9Å; V566-S569 PolarHBondContact O-OG 3.33Å; V566-H570 PolarHBondContact O-CD2 3.18Å; V566-H570 VanDerWaalsContact O-CD2 3.26Å; V566-H570 PolarHBondContact O-N 3.3Å
567	Y	79.7	Confident	72.5	Confident	162 Å²	162	107.2 Å²	107.2	64%	0.635	55%	0.552	S	S	*	*	H	α-helix	trans	-59.5	-43.4	174.9	-175.1	-99.1	0	0	0	112.3	D563 I565 H570 N571	D563-Y567 VanDerWaalsContact O-CB 3.22Å; D563-Y567 WeakPolarHBondContact O-CB 3.47Å; D563-Y567 PolarHBondContact O-N 2.95Å; I565-Y567 VanDerWaalsContact C-N 3.35Å; Y567-H570 PolarHBondContact O-N 3.3Å; Y567-N571 WeakPolarHBondContact CE1-ND2 3.43Å; Y567-N571 VanDerWaalsContact CE2-ND2 3.34Å; Y567-N571 WeakPolarHBondContact CE2-ND2 3.36Å; Y567-N571 WeakPolarHBondContact O-CB 3.44Å; Y567-N571 PolarHBondContact O-N 2.91Å; Y567-N571 PolarHBondContact OH-ND2 2.82Å
568	Q	72.1	Confident	70.2	Confident	134 Å²	134	110.6 Å²	110.6	63%	0.626	57%	0.565	S	S	*	*	H	α-helix	trans	-65.7	-39.5	174.4	-76.2	-167.5	-2.6	0	0	112.5	T564 I565 V566 H570 N571 L572	T564-Q568 WeakPolarHBondContact O-CG 3.41Å; T564-Q568 PolarHBondContact O-N 3.13Å; I565-Q568 PolarHBondContact O-N 3.47Å; V566-Q568 PolarHBondContact O-N 2.91Å; Q568-H570 VanDerWaalsContact C-N 3.32Å; Q568-H570 PolarHBondContact O-N 3.43Å; Q568-N571 CarbonylContact O-C 3.49Å; Q568-N571 PolarHBondContact O-N 3.28Å; Q568-L572 WeakPolarHBondContact O-CD1 3.43Å; Q568-L572 WeakPolarHBondContact O-CG 3.05Å; Q568-L572 PolarHBondContact O-N 3.27Å
569	S	67.4	Low	68	Low	69 Å²	69	111.9 Å²	111.9	48%	0.483	57%	0.568	S	S	.	*	H	α-helix	trans	-64.4	-35.3	178	73.2	0	0	0	0	113	I565 V566	I565-S569 WeakPolarHBondContact O-CB 3.31Å; I565-S569 PolarHBondContact O-N 3.19Å; V566-S569 WeakPolarHBondContact CA-OG 3.28Å; V566-S569 PolarHBondContact O-N 2.9Å; V566-S569 PolarHBondContact O-OG 3.33Å
570	H	64.9	Low	66	Low	149 Å²	149	113 Å²	113	69%	0.69	58%	0.575	S	S	*	*	H	α-helix	trans	-76.6	-31.4	175.2	-78.1	-62.7	0	0	0	113.1	V566 Y567 Q568	V566-H570 PolarHBondContact O-CD2 3.18Å; V566-H570 VanDerWaalsContact O-CD2 3.26Å; V566-H570 PolarHBondContact O-N 3.3Å; Y567-H570 PolarHBondContact O-N 3.3Å; Q568-H570 VanDerWaalsContact C-N 3.32Å; Q568-H570 PolarHBondContact O-N 3.43Å
571	N	59.9	Low	64	Low	93 Å²	93	110.2 Å²	110.2	50%	0.497	57%	0.572	S	S	.	*	H	α-helix	trans	-94.4	-2.7	-179.3	-75.1	-24.1	0	0	0	114.5	Y567 Q568 P573	Y567-N571 WeakPolarHBondContact CE1-ND2 3.43Å; Y567-N571 VanDerWaalsContact CE2-ND2 3.34Å; Y567-N571 WeakPolarHBondContact CE2-ND2 3.36Å; Y567-N571 WeakPolarHBondContact O-CB 3.44Å; Y567-N571 PolarHBondContact O-N 2.91Å; Y567-N571 PolarHBondContact OH-ND2 2.82Å; Q568-N571 CarbonylContact O-C 3.49Å; Q568-N571 PolarHBondContact O-N 3.28Å; N571-P573 WeakPolarHBondContact O-CD 3.46Å
572	L	52.6	Low	61.7	Low	118 Å²	118	112.3 Å²	112.3	62%	0.618	58%	0.58	S	S	*	*	S	Bend	trans	-60.3	112.6	168.1	-96.7	144.9	0	0	0	106.5	Q568 Y574	Q568-L572 WeakPolarHBondContact O-CD1 3.43Å; Q568-L572 WeakPolarHBondContact O-CG 3.05Å; Q568-L572 PolarHBondContact O-N 3.27Å; L572-Y574 PolarHBondContact O-N 2.98Å; L572-Y574 VanDerWaalsContact O-N 3.07Å
573	P	47.6	Very low	59.6	Low	108 Å²	108	117.7 Å²	117.7	70%	0.701	59%	0.591	S	S	*	*			trans	-56.2	124.6	178.8	22.7	-31	0	0	0	106.2	N571 S575	N571-P573 WeakPolarHBondContact O-CD 3.46Å; P573-S575 VanDerWaalsContact C-N 3.26Å; P573-S575 WeakPolarHBondContact O-CA 3.43Å; P573-S575 PolarHBondContact O-N 2.99Å
574	Y	47.7	Very low	57.7	Low	202 Å²	202	119.9 Å²	119.9	79%	0.792	60%	0.6	S	S	*	*			trans	-38.3	96.8	175.1	-104.2	-94.8	0	0	0	108	L572 K576 E578	L572-Y574 PolarHBondContact O-N 2.98Å; L572-Y574 VanDerWaalsContact O-N 3.07Å; Y574-K576 PolarHBondContact O-N 3.32Å; Y574-E578 WeakPolarHBondContact CE1-OE2 3.5Å
575	S	46.4	Very low	55.8	Low	78 Å²	78	125 Å²	125	55%	0.545	61%	0.611	S	S	.	*			trans	-66.6	136.1	-170.7	77.7	0	0	0	0	105	P573 N577 E578	P573-S575 VanDerWaalsContact C-N 3.26Å; P573-S575 WeakPolarHBondContact O-CA 3.43Å; P573-S575 PolarHBondContact O-N 2.99Å; S575-N577 PolarHBondContact O-N 3.27Å; S575-E578 PolarHBondContact O-N 3.21Å
576	K	47.5	Very low	53.8	Low	176 Å²	176	126.2 Å²	126.2	77%	0.765	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-48	-3.9	-176.1	-70.4	174	172.9	176.5	0	115.9	Y574 Q579 A580	Y574-K576 PolarHBondContact O-N 3.32Å; K576-Q579 PolarHBondContact O-N 3.47Å; K576-A580 PolarHBondContact O-N 3.14Å
577	N	48.8	Very low	51.8	Low	119 Å²	119	132.8 Å²	132.8	64%	0.636	64%	0.638	S	S	*	*	H	α-helix	trans	-65	-34.4	178.5	-71.2	-8.8	0	0	0	113.4	S575 A580 V581	S575-N577 PolarHBondContact O-N 3.27Å; N577-A580 WeakPolarHBondContact O-CB 3.49Å; N577-A580 PolarHBondContact O-N 3.02Å; N577-V581 WeakPolarHBondContact O-CG2 3.47Å; N577-V581 PolarHBondContact O-N 3.09Å
578	E	45.5	Very low	49.9	Very low	121 Å²	121	130.6 Å²	130.6	57%	0.565	64%	0.644	S	S	*	*	H	α-helix	trans	-75	-32.9	176.9	-79.9	-174.3	168	0	0	113	Y574 S575 A580 V581 E582	Y574-E578 WeakPolarHBondContact CE1-OE2 3.5Å; S575-E578 PolarHBondContact O-N 3.21Å; E578-A580 PolarHBondContact O-N 3.14Å; E578-V581 PolarHBondContact O-N 2.97Å; E578-E582 PolarHBondContact O-N 3.32Å
579	Q	47.4	Very low	48.2	Very low	124 Å²	124	129.6 Å²	129.6	58%	0.579	65%	0.652	S	S	*	*	H	α-helix	trans	-64.2	-28.1	170.3	-77.3	-174.7	-5.6	0	0	112.3	K576 R583	K576-Q579 PolarHBondContact O-N 3.47Å; Q579-R583 WeakPolarHBondContact O-CB 3.38Å; Q579-R583 WeakPolarHBondContact O-CG 3.48Å; Q579-R583 PolarHBondContact O-N 3.5Å; Q579-R583 VanDerWaalsContact O-N 3.08Å
580	A	49.3	Very low	46.8	Very low	56 Å²	56	131.7 Å²	131.7	46%	0.463	67%	0.666	S	S	.	*	H	α-helix	trans	-70.6	-36.2	172	0	0	0	0	0	111.8	K576 N577 E578 M584	K576-A580 PolarHBondContact O-N 3.14Å; N577-A580 WeakPolarHBondContact O-CB 3.49Å; N577-A580 PolarHBondContact O-N 3.02Å; E578-A580 PolarHBondContact O-N 3.14Å; A580-M584 PolarHBondContact O-N 3.22Å
581	V	49	Very low	45.4	Very low	77 Å²	77	132.2 Å²	132.2	47%	0.467	67%	0.674	S	S	.	*	H	α-helix	trans	-68.3	-44.7	175.4	178.1	0	0	0	0	110.7	N577 E578 R583 M584 Y585	N577-V581 WeakPolarHBondContact O-CG2 3.47Å; N577-V581 PolarHBondContact O-N 3.09Å; E578-V581 PolarHBondContact O-N 2.97Å; V581-R583 VanDerWaalsContact C-N 3.33Å; V581-R583 PolarHBondContact O-N 2.8Å; V581-M584 PolarHBondContact O-N 3.16Å; V581-M584 VanDerWaalsContact O-N 3.14Å; V581-Y585 HydrophobicContact CG1-CD2 4.03Å; V581-Y585 HydrophobicContact CG1-CE2 3.63Å; V581-Y585 WeakPolarHBondContact O-CD2 3.29Å; V581-Y585 PolarHBondContact O-N 3.46Å
582	E	44	Very low	44.2	Very low	134 Å²	134	133.3 Å²	133.3	63%	0.626	69%	0.689	S	S	*	*	H	α-helix	trans	-64.2	-35.8	176.6	-76.9	-170.6	152.5	0	0	112.9	E578 M584 Y585 N586	E578-E582 PolarHBondContact O-N 3.32Å; E582-M584 VanDerWaalsContact C-N 3.3Å; E582-M584 PolarHBondContact O-N 3.01Å; E582-Y585 PolarHBondContact O-N 3.14Å; E582-N586 PolarHBondContact O-N 3.07Å
583	R	47.5	Very low	43.2	Very low	197 Å²	197	135.9 Å²	135.9	74%	0.743	70%	0.698	S	S	*	*	H	α-helix	trans	-68.1	-26.6	174.5	-76.3	-177.2	-174	-172.6	2.5	113.5	Q579 V581	Q579-R583 WeakPolarHBondContact O-CB 3.38Å; Q579-R583 WeakPolarHBondContact O-CG 3.48Å; Q579-R583 PolarHBondContact O-N 3.5Å; Q579-R583 VanDerWaalsContact O-N 3.08Å; V581-R583 VanDerWaalsContact C-N 3.33Å; V581-R583 PolarHBondContact O-N 2.8Å
584	M	45.8	Very low	42.6	Very low	153 Å²	153	138.2 Å²	138.2	75%	0.754	71%	0.705	S	S	*	*	H	α-helix	trans	-73	-27.8	173.5	-85	-168.8	174.3	0	0	113.1	A580 V581 E582	A580-M584 PolarHBondContact O-N 3.22Å; V581-M584 PolarHBondContact O-N 3.16Å; V581-M584 VanDerWaalsContact O-N 3.14Å; E582-M584 VanDerWaalsContact C-N 3.3Å; E582-M584 PolarHBondContact O-N 3.01Å
585	Y	45.1	Very low	41.7	Very low	187 Å²	187	134.6 Å²	134.6	73%	0.733	71%	0.709	S	S	*	*	H	α-helix	trans	-84.5	-17	178.4	-72.3	-70.2	0	0	0	113.9	V581 E582 Y587	V581-Y585 HydrophobicContact CG1-CD2 4.03Å; V581-Y585 HydrophobicContact CG1-CE2 3.63Å; V581-Y585 WeakPolarHBondContact O-CD2 3.29Å; V581-Y585 PolarHBondContact O-N 3.46Å; E582-Y585 PolarHBondContact O-N 3.14Å; Y585-Y587 PolarHBondContact O-N 3.1Å
586	N	40.5	Very low	41.1	Very low	127 Å²	127	135.9 Å²	135.9	68%	0.679	72%	0.715	S	S	*	*			trans	-85.2	62	174.6	-71.3	-21.9	0	0	0	111.6	E582 P588	E582-N586 PolarHBondContact O-N 3.07Å; N586-P588 WeakPolarHBondContact O-CD 3.32Å
587	Y	38.9	Very low	40.3	Very low	205 Å²	205	135.6 Å²	135.6	80%	0.804	72%	0.717	S	S	*	*			trans	-78.4	119.9	154.3	-92.3	-85.2	0	0	0	107.9	Y585 S589	Y585-Y587 PolarHBondContact O-N 3.1Å; Y587-S589 PolarHBondContact O-N 3.24Å
588	P	39.6	Very low	39.2	Very low	115 Å²	115	136.4 Å²	136.4	75%	0.747	73%	0.73	S	S	*	*			trans	-64	113.2	173.8	24.9	-29.4	0	0	0	108.1	N586 S590	N586-P588 WeakPolarHBondContact O-CD 3.32Å; P588-S590 VanDerWaalsContact C-N 3.34Å; P588-S590 PolarHBondContact O-N 3.44Å
589	S	37.9	Very low	38.8	Very low	114 Å²	114	139.2 Å²	139.2	80%	0.797	74%	0.74	S	S	*	*			trans	-59.9	94.7	173.1	48.5	0	0	0	0	109	Y587	Y587-S589 PolarHBondContact O-N 3.24Å
590	S	37.3	Very low	37.8	Very low	113 Å²	113	142.4 Å²	142.4	79%	0.79	76%	0.755	S	S	*	*			trans	-65.8	138.1	164.8	42.6	0	0	0	0	108.6	P588 S592	P588-S590 VanDerWaalsContact C-N 3.34Å; P588-S590 PolarHBondContact O-N 3.44Å; S590-S592 PolarHBondContact O-N 3.07Å
591	N	35.2	Very low	37.1	Very low	159 Å²	159	146 Å²	146	85%	0.85	77%	0.772	S	S	*	*			trans	-50.1	130.8	-170.4	-79.1	-28.8	0	0	0	113.4	E593	N591-E593 PolarHBondContact O-N 3.3Å
592	S	34	Very low	36.1	Very low	116 Å²	116	147.6 Å²	147.6	81%	0.811	79%	0.786	S	S	*	*			trans	-70.6	91.2	169.6	52.1	0	0	0	0	111.3	S590	S590-S592 PolarHBondContact O-N 3.07Å
593	E	33.2	Very low	35.7	Very low	172 Å²	172	147 Å²	147	80%	0.804	79%	0.792	S	S	*	*			trans	-143.6	95.6	155.4	-76.1	-170.5	171	0	0	108.2	N591	N591-E593 PolarHBondContact O-N 3.3Å
594	N	34.5	Very low	34.9	Very low	158 Å²	158	143.1 Å²	143.1	85%	0.845	79%	0.79	S	S	*	*			trans	166.8	105.3	140.4	-83.4	-28.8	0	0	0	108.3	P596	N594-P596 VanDerWaalsContact O-CD 3.31Å; N594-P596 WeakPolarHBondContact O-CD 3.25Å
595	S	27.7	Very low	34.3	Very low	125 Å²	125	143.9 Å²	143.9	87%	0.874	80%	0.797	S	S	*	*			trans	-88.3	118.5	165	42.8	0	0	0	0	108.2
596	P	33.9	Very low	33.9	Very low	106 Å²	106	143.8 Å²	143.8	69%	0.688	80%	0.8	S	S	*	*			trans	-127	123.2	149.7	30.4	-15.8	0	0	0	111.2	N594	N594-P596 VanDerWaalsContact O-CD 3.31Å; N594-P596 WeakPolarHBondContact O-CD 3.25Å
597	E	31.1	Very low	33.5	Very low	170 Å²	170	149.5 Å²	149.5	79%	0.794	81%	0.812	S	S	*	*			trans	55.2	104.5	142	-62.3	-176.9	170.3	0	0	119.2	K599	E597-K599 PolarHBondContact O-N 3.21Å; E597-K599 VanDerWaalsContact O-N 3.14Å
598	C	26.4	Very low	33.3	Very low	135 Å²	135	151.1 Å²	151.1	91%	0.912	82%	0.817	S	S	*	*			trans	-52.9	110.2	158	-73.3	0	0	0	0	110.8
599	K	35.6	Very low	33.2	Very low	181 Å²	181	154.7 Å²	154.7	79%	0.787	82%	0.821	S	S	*	*			trans	-109.6	108.8	156.9	-77.4	-174.4	179.2	175.3	0	109.3	E597 T601	E597-K599 PolarHBondContact O-N 3.21Å; E597-K599 VanDerWaalsContact O-N 3.14Å; K599-T601 PolarHBondContact O-N 3.41Å
600	E	28.3	Very low	33.1	Very low	191 Å²	191	157.3 Å²	157.3	89%	0.893	83%	0.825	S	S	*	*			trans	-54.4	116	169.4	-65.9	176.4	152.8	0	0	109.9
601	T	34.4	Very low	33.1	Very low	132 Å²	132	159.1 Å²	159.1	81%	0.81	83%	0.825	S	S	*	*			trans	-131	97.2	158.2	46.2	0	0	0	0	108.5	K599	K599-T601 PolarHBondContact O-N 3.41Å
602	S	27.3	Very low	33	Very low	109 Å²	109	158.3 Å²	158.3	76%	0.762	83%	0.826	S	S	*	*			trans	-54.2	138.2	155.8	52.9	0	0	0	0	109.7
603	V	35.9	Very low	33.1	Very low	123 Å²	123	162.4 Å²	162.4	75%	0.745	85%	0.847	S	S	*	*			trans	173.1	111.8	138.2	152.9	0	0	0	0	112.4
604	T	31	Very low	33.1	Very low	115 Å²	115	162 Å²	162	71%	0.706	85%	0.849	S	S	*	*			trans	70.5	106.6	144.2	65.2	0	0	0	0	122.3	K606	T604-K606 PolarHBondContact O-N 3.17Å; T604-K606 VanDerWaalsContact O-N 3.16Å
605	N	32	Very low	33.1	Very low	168 Å²	168	162.2 Å²	162.2	90%	0.898	85%	0.849	S	S	*	*			trans	-57.1	100.5	156.5	-88.5	-34.4	0	0	0	112.2
606	K	36.3	Very low	33.4	Very low	185 Å²	185	164.2 Å²	164.2	80%	0.804	85%	0.848	S	S	*	*			trans	-89.8	99.5	161.5	-83.3	-176.6	177.2	175.8	0	109.7	T604 R608	T604-K606 PolarHBondContact O-N 3.17Å; T604-K606 VanDerWaalsContact O-N 3.16Å; K606-R608 PolarHBondContact O-N 3.25Å; K606-R608 VanDerWaalsContact O-N 3.1Å
607	R	32.7	Very low	33.3	Very low	247 Å²	247	167.6 Å²	167.6	93%	0.932	86%	0.857	S	S	*	*			trans	-54.9	106.3	164.7	-74	176.5	171.1	174.9	-3	109.3
608	R	35.2	Very low	33.5	Very low	240 Å²	240	167.5 Å²	167.5	91%	0.906	86%	0.861	S	S	*	*	P	Polyproline II helix	trans	-81.6	119.1	167.6	-80.7	-175.8	173.1	176.7	-1.8	108.8	K606	K606-R608 PolarHBondContact O-N 3.25Å; K606-R608 VanDerWaalsContact O-N 3.1Å
609	K	36.5	Very low	33.9	Very low	190 Å²	190	169.7 Å²	169.7	83%	0.826	86%	0.857	S	S	*	*	P	Polyproline II helix	trans	-59.7	134	171.8	-75.1	171.7	170	178.4	0	108.7	D611	K609-D611 PolarHBondContact O-N 3.15Å
610	L	37.4	Very low	33.8	Very low	168 Å²	168	168.9 Å²	168.9	88%	0.88	86%	0.863	S	S	*	*	P	Polyproline II helix	trans	-69.3	118.1	165.5	-81.8	123	0	0	0	107.8	V612	L610-V612 PolarHBondContact O-N 3.3Å
611	D	37	Very low	34.3	Very low	151 Å²	151	167.2 Å²	167.2	81%	0.807	86%	0.86	S	S	*	*	P	Polyproline II helix	trans	-70	125.3	171.8	-74.8	-38.2	0	0	0	109.1	K609	K609-D611 PolarHBondContact O-N 3.15Å
612	V	31.5	Very low	34.2	Very low	142 Å²	142	170.1 Å²	170.1	86%	0.861	86%	0.864	S	S	*	*			trans	-85.1	110.4	172	176.5	0	0	0	0	106.4	L610	L610-V612 PolarHBondContact O-N 3.3Å
613	T	38.1	Very low	34.9	Very low	203 Å²	203	175.6 Å²	175.6	100%	1.245	87%	0.874	S	S	*	*			trans	-131.4	0	158.3	53.8	0	0	0	0	108.7

Retrieved 613 of 613 residues in 579.2 ms (Link to these results)

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