A0A087YEE3_POEFO Loading...

MSL complex subunit 3

Non-catalytic component of the MSL histone acetyltransferase complex, a multiprotein complex that mediates the majority of histone H4 acetylation at 'Lys-16' (H4K16ac), an epigenetic mark that prevents chromatin compaction. The MSL complex is required for chromosome stability and genome integrity by maintaining homeostatic levels of H4K16ac. The MSL complex is also involved in gene dosage by promoting up-regulation of genes expressed by the X chromosome. X up-regulation is required to compensate for autosomal biallelic expression. The MSL complex also participates in gene dosage compensation by promoting expression of Tsix non-coding RNA. Acts as a histone reader that specifically recognizes and binds histone H4 monomethylated at 'Lys-20' (H4K20Me1) in a DNA-dependent manner and is proposed to be involved in chromosomal targeting of the MSL complex. May play a role X inactivation in females.

AlphaFold DB (A0A3B3UK82), UniProt , Accession A0A087YEE3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 548 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	35.8	Very low	66.6	Low	245 Å²	245	117.5 Å²	117.5	100%	1.207	60%	0.601	S	S	*	*				0	140	0	-74.3	168.5	164.4	0	0	109.5	S3	M1-S3 PolarHBondContact O-N 2.8Å
2	N	36.3	Very low	68.8	Low	114 Å²	114	119.5 Å²	119.5	61%	0.61	60%	0.602	S	S	*	*			trans	5.8	99.5	172.1	-71.1	-17.4	0	0	0	118.9	R4	N2-R4 HydrophobicContact CB-CB 4.37Å; N2-R4 HydrophobicContact CB-CG 3.94Å; N2-R4 VanDerWaalsContact CG-NE 3.33Å; N2-R4 PolarHBondContact O-N 3.4Å; N2-R4 VanDerWaalsContact O-N 3.1Å; N2-R4 PolarHBondContact OD1-NE 3.04Å; N2-R4 PolarHBondContact OD1-NH2 3.42Å
3	S	48.5	Very low	70.5	Confident	126 Å²	126	113.2 Å²	113.2	88%	0.881	59%	0.586	S	S	*	*			trans	-76	29.7	158.1	46.1	0	0	0	0	113	M1	M1-S3 PolarHBondContact O-N 2.8Å
4	R	53.2	Low	72.3	Confident	204 Å²	204	108.7 Å²	108.7	77%	0.77	56%	0.56	S	S	*	*			trans	-79.2	131.4	-177.2	-59.3	-177.1	-163.7	-168.1	3.3	110.5	N2	N2-R4 HydrophobicContact CB-CB 4.37Å; N2-R4 HydrophobicContact CB-CG 3.94Å; N2-R4 VanDerWaalsContact CG-NE 3.33Å; N2-R4 PolarHBondContact O-N 3.4Å; N2-R4 VanDerWaalsContact O-N 3.1Å; N2-R4 PolarHBondContact OD1-NE 3.04Å; N2-R4 PolarHBondContact OD1-NH2 3.42Å
5	G	61.2	Low	73.9	Confident	77 Å²	77	113.6 Å²	113.6	79%	0.794	57%	0.569	S	S	*	*			trans	114.1	-15.3	152.7	0	0	0	0	0	118.8	K7	G5-K7 PolarHBondContact O-N 2.59Å
6	I	69.2	Low	75.3	Confident	49 Å²	49	106.7 Å²	106.7	25%	0.251	53%	0.534	S	S	.	.			trans	-81.4	102.6	174.2	-63.1	174.9	0	0	0	108.8	Y8 I39 R47	I6-Y8 HydrophobicContact CG2-CE1 4.19Å; I6-I39 HydrophobicContact CD1-CD1 3.76Å; I6-I39 HydrophobicContact CD1-CG1 4.23Å; I6-I39 HydrophobicContact CD1-CG2 3.9Å; I6-I39 HydrophobicContact CG2-CD1 4.47Å; I6-I39 HydrophobicContact CG2-CG1 4.45Å; I6-R47 HydrophobicContact CD1-CB 3.82Å
7	K	74.8	Confident	76.6	Confident	186 Å²	186	100.4 Å²	100.4	81%	0.809	50%	0.503	S	S	*	.			trans	-85.9	112.3	174.3	-177.1	179.3	-178.6	-180	0	109	G5	G5-K7 PolarHBondContact O-N 2.59Å
8	Y	83.6	Confident	77.6	Confident	98 Å²	98	95 Å²	95	38%	0.384	48%	0.476	S	S	.	.			trans	-71.8	142.3	169.4	-53.3	-75.3	0	0	0	110.1	I6 V37 I39 P49	I6-Y8 HydrophobicContact CG2-CE1 4.19Å; Y8-V37 HydrophobicContact CD1-CG1 3.7Å; Y8-V37 HydrophobicContact CE1-CG1 3.83Å; Y8-I39 HydrophobicContact CE1-CG1 4.17Å; Y8-I39 WeakPolarHBondContact OH-CD1 3.38Å; Y8-P49 HydrophobicContact CD1-CB 3.96Å; Y8-P49 HydrophobicContact CE1-CB 4.32Å
9	Q	85.4	Confident	78.5	Confident	82 Å²	82	91.2 Å²	91.2	38%	0.383	46%	0.456	S	S	.	.	S	Bend	trans	-94.6	-19.9	176.9	-149.2	-173.3	130.1	0	0	112.9	Y51 E68	Q9-Y51 PolarHBondContact N-OH 3.26Å; Q9-E68 VanDerWaalsContact CB-CD 3.49Å; Q9-E68 HydrophobicContact CB-CG 4.1Å; Q9-E68 WeakPolarHBondContact CB-OE1 3.28Å; Q9-E68 PolarHBondContact NE2-OE1 3.18Å
10	F	92.3	Very high	79.1	Confident	0 Å²	0	87.6 Å²	87.6	0%	0	44%	0.438	C	S	.	.	S	Bend	trans	-139.8	155.8	178.9	-48.9	-72.6	0	0	0	111	E14 V16 V34 Y51 E68 V71 R73	F10-E14 WeakPolarHBondContact CA-OE2 3.47Å; F10-V16 HydrophobicContact CB-CG1 4.37Å; F10-V16 HydrophobicContact CD1-CG1 3.57Å; F10-V16 HydrophobicContact CE1-CG1 4.07Å; F10-V16 HydrophobicContact CG-CG1 4.02Å; F10-V34 HydrophobicContact CB-CG2 4.06Å; F10-Y51 HydrophobicContact CB-CD1 4.15Å; F10-Y51 HydrophobicContact CB-CE1 3.93Å; F10-Y51 HydrophobicContact CD2-CD1 4.49Å; F10-Y51 HydrophobicContact CD2-CD2 4.39Å; F10-Y51 HydrophobicContact CD2-CE1 4.2Å; F10-Y51 HydrophobicContact CD2-CE2 4.07Å; F10-Y51 AromaticContact CD2-CZ 3.97Å; F10-Y51 WeakPolarHBondContact O-CE1 3.18Å; F10-E68 HydrophobicContact CE2-CG 4.41Å; F10-V71 HydrophobicContact CD1-CG1 4.47Å; F10-V71 HydrophobicContact CD2-CB 4.09Å; F10-V71 HydrophobicContact CD2-CG1 3.7Å; F10-V71 HydrophobicContact CE1-CG1 4.37Å; F10-V71 HydrophobicContact CE2-CB 3.69Å; F10-V71 HydrophobicContact CE2-CG1 3.59Å; F10-V71 WeakPolarHBondContact CE2-O 3.48Å; F10-V71 HydrophobicContact CG-CG1 4.16Å; F10-V71 HydrophobicContact CZ-CB 4.29Å; F10-V71 HydrophobicContact CZ-CG1 3.95Å; F10-V71 VanDerWaalsContact CZ-O 3.24Å; F10-V71 WeakPolarHBondContact CZ-O 3.15Å; F10-R73 HydrophobicContact CE1-CB 3.9Å; F10-R73 HydrophobicContact CE1-CG 4.14Å
11	H	91.9	Very high	79.3	Confident	112 Å²	112	85.7 Å²	85.7	52%	0.519	43%	0.432	S	S	.	.			trans	-119.6	155.6	-175.1	-55.9	80.6	0	0	0	112.8	G13 E14 V34	H11-G13 PolarHBondContact O-N 2.67Å; H11-E14 IonicContact CG-OE2 3.82Å; H11-E14 PolarHBondContact N-OE2 3.25Å; H11-E14 IonicContact ND1-OE2 2.85Å; H11-E14 PolarHBondContact ND1-OE2 3.16Å; H11-E14 VanDerWaalsContact ND1-OE2 3.14Å; H11-E14 WeakPolarHBondContact O-CB 3.48Å; H11-E14 PolarHBondContact O-N 2.82Å; H11-V34 WeakPolarHBondContact O-CB 3.39Å
12	K	93	Very high	81.4	Confident	141 Å²	141	76.5 Å²	76.5	61%	0.613	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	120.8	174.4	-178.5	163.4	-173.5	150.6	0	110.5	L35 D36	K12-L35 WeakPolarHBondContact CD-O 3.46Å; K12-L35 WeakPolarHBondContact CE-O 3.39Å; K12-L35 WeakPolarHBondContact CG-O 3.25Å; K12-L35 PolarHBondContact NZ-O 3.43Å; K12-D36 WeakPolarHBondContact CD-OD1 3.4Å; K12-D36 IonicContact NZ-OD1 3.63Å; K12-D36 PolarHBondContact NZ-OD1 2.86Å
13	G	91.9	Very high	83.6	Confident	38 Å²	38	77.1 Å²	77.1	39%	0.392	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.9	-11.8	-175.5	0	0	0	0	0	115.4	H11 K33 V34	H11-G13 PolarHBondContact O-N 2.67Å; G13-K33 WeakPolarHBondContact O-CE 3.34Å; G13-V34 PolarHBondContact N-O 3.4Å
14	E	95.6	Very high	85.1	Confident	50 Å²	50	76.9 Å²	76.9	23%	0.234	39%	0.391	C	S	.	.			trans	-68.6	143.5	-178.5	-164.2	173.7	152.8	0	0	112.1	F10 H11 V16 K33 V34	F10-E14 WeakPolarHBondContact CA-OE2 3.47Å; H11-E14 IonicContact CG-OE2 3.82Å; H11-E14 PolarHBondContact N-OE2 3.25Å; H11-E14 IonicContact ND1-OE2 2.85Å; H11-E14 PolarHBondContact ND1-OE2 3.16Å; H11-E14 VanDerWaalsContact ND1-OE2 3.14Å; H11-E14 WeakPolarHBondContact O-CB 3.48Å; H11-E14 PolarHBondContact O-N 2.82Å; E14-V16 HydrophobicContact CG-CG1 4.44Å; E14-K33 WeakPolarHBondContact O-CA 3.24Å; E14-V34 PolarHBondContact O-N 3.47Å
15	R	95.3	Very high	86.5	Confident	182 Å²	182	71.2 Å²	71.2	69%	0.687	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.2	132.2	171.4	-63	-161.1	-49.3	-112.2	-1.3	109.8	D74	R15-D74 IonicContact NE-OD2 3.97Å; R15-D74 IonicContact NH2-OD2 3.75Å
16	V	97	Very high	87.6	Confident	3 Å²	3	70 Å²	70	2%	0.018	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	163.3	-172.9	-67.5	0	0	0	0	110.4	F10 E14 A32 V34 I53 V71 L72	F10-V16 HydrophobicContact CB-CG1 4.37Å; F10-V16 HydrophobicContact CD1-CG1 3.57Å; F10-V16 HydrophobicContact CE1-CG1 4.07Å; F10-V16 HydrophobicContact CG-CG1 4.02Å; E14-V16 HydrophobicContact CG-CG1 4.44Å; V16-A32 HydrophobicContact CG2-CB 4.25Å; V16-A32 PolarHBondContact N-O 3.29Å; V16-A32 CarbonylContact O-C 3.53Å; V16-A32 WeakPolarHBondContact O-CA 3.5Å; V16-A32 PolarHBondContact O-N 2.97Å; V16-A32 VanDerWaalsContact O-O 3.05Å; V16-V34 HydrophobicContact CG1-CG2 4.03Å; V16-V34 HydrophobicContact CG2-CG2 3.94Å; V16-I53 HydrophobicContact CG2-CD1 4.2Å; V16-V71 HydrophobicContact CB-CG1 3.66Å; V16-V71 HydrophobicContact CG1-CG1 3.88Å; V16-V71 HydrophobicContact CG2-CG1 3.75Å; V16-L72 CarbonylContact C-O 3.5Å; V16-L72 WeakPolarHBondContact CA-O 3.43Å; V16-L72 WeakPolarHBondContact CB-O 3.4Å
17	L	96.4	Very high	88.6	Confident	0 Å²	0	74.6 Å²	74.6	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	115.5	171.1	-68.8	167.5	0	0	0	108.1	L29 Y30 L72 N78 R79	L17-L29 HydrophobicContact CB-CD2 4.37Å; L17-Y30 WeakPolarHBondContact CA-O 3.43Å; L17-L72 HydrophobicContact CB-CB 4.32Å; L17-L72 PolarHBondContact N-O 2.89Å; L17-L72 PolarHBondContact O-N 3.35Å; L17-N78 HydrophobicContact CD1-CB 3.68Å; L17-R79 HydrophobicContact CD1-CG 4.04Å
18	C	96	Very high	89.5	Confident	3 Å²	3	66.6 Å²	66.6	2%	0.02	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	140.8	-179	-174.9	0	0	0	0	111	L29 Y30 A32 I53 F55 H70	C18-L29 WeakPolarHBondContact O-CA 3.46Å; C18-Y30 PolarHBondContact N-O 3.13Å; C18-Y30 PolarHBondContact O-N 2.87Å; C18-A32 HydrophobicContact CB-CB 4.03Å; C18-I53 HydrophobicContact CB-CG2 3.8Å; C18-F55 HydrophobicContact CB-CE1 3.72Å; C18-F55 HydrophobicContact CB-CZ 4.3Å; C18-H70 WeakPolarHBondContact CA-O 3.37Å
19	F	94.4	Very high	90	Very high	23 Å²	23	62.3 Å²	62.3	10%	0.101	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	151.4	171.6	-76.7	-74.3	0	0	0	111.3	P21 K27 V28 L29 H70 L72 L85	F19-P21 WeakPolarHBondContact O-CD 3.36Å; F19-K27 HydrophobicContact CD1-CD 4.34Å; F19-K27 HydrophobicContact CD1-CG 3.81Å; F19-K27 HydrophobicContact CE1-CD 4.18Å; F19-K27 HydrophobicContact CE1-CG 3.91Å; F19-V28 WeakPolarHBondContact CA-O 3.35Å; F19-L29 HydrophobicContact CB-CD2 4.4Å; F19-L29 HydrophobicContact CD1-CD2 3.57Å; F19-L29 HydrophobicContact CD1-CG 3.89Å; F19-L29 HydrophobicContact CD2-CD2 3.84Å; F19-L29 HydrophobicContact CE1-CD1 4.26Å; F19-L29 HydrophobicContact CE1-CD2 3.65Å; F19-L29 HydrophobicContact CE1-CG 3.75Å; F19-L29 HydrophobicContact CE2-CD2 3.93Å; F19-L29 HydrophobicContact CG-CD2 3.67Å; F19-L29 HydrophobicContact CG-CG 4.48Å; F19-L29 HydrophobicContact CZ-CD1 4.42Å; F19-L29 HydrophobicContact CZ-CD2 3.84Å; F19-L29 HydrophobicContact CZ-CG 4.24Å; F19-H70 PolarHBondContact N-O 3.43Å; F19-L72 HydrophobicContact CE2-CD1 3.89Å; F19-L72 HydrophobicContact CE2-CG 4.19Å; F19-L72 HydrophobicContact CZ-CD1 4.02Å; F19-L85 HydrophobicContact CE1-CD1 3.8Å
20	E	89.9	Confident	90.5	Very high	19 Å²	19	61.7 Å²	61.7	9%	0.089	32%	0.318	C	S	.	.			trans	-55.7	117.8	167.1	169.1	58	-103.6	0	0	110	D22 K25 V28 Y30	E20-D22 VanDerWaalsContact C-N 3.26Å; E20-D22 PolarHBondContact O-N 3.13Å; E20-D22 PolarHBondContact OE1-N 2.89Å; E20-K25 HydrophobicContact CG-CB 3.93Å; E20-K25 HydrophobicContact CG-CD 3.78Å; E20-K25 IonicContact OE1-NZ 3.14Å; E20-K25 PolarHBondContact OE1-NZ 3.21Å; E20-K25 WeakPolarHBondContact OE2-CD 3.49Å; E20-K25 IonicContact OE2-NZ 3.99Å; E20-K25 PolarHBondContact OE2-NZ 3.5Å; E20-V28 HydrophobicContact CB-CG2 3.94Å; E20-V28 PolarHBondContact N-O 2.85Å; E20-Y30 HydrophobicContact CB-CD2 4.46Å; E20-Y30 HydrophobicContact CB-CE2 3.79Å; E20-Y30 HydrophobicContact CG-CE2 4.37Å; E20-Y30 PolarHBondContact OE2-OH 2.78Å
21	P	82.9	Confident	90.7	Very high	47 Å²	47	64.5 Å²	64.5	31%	0.305	33%	0.333	S	S	.	.	S	Bend	trans	-75.9	-4.3	-172.5	30	-38.3	0	0	0	115	F19 F55	F19-P21 WeakPolarHBondContact O-CD 3.36Å; P21-F55 HydrophobicContact CG-CE2 4.47Å; P21-F55 HydrophobicContact CG-CZ 4.16Å
22	D	81.4	Confident	91	Very high	52 Å²	52	59.3 Å²	59.3	28%	0.278	31%	0.309	S	S	.	.			trans	-98.2	109.2	175.6	-179.3	-13.1	0	0	0	111.2	E20 T24 K25	E20-D22 VanDerWaalsContact C-N 3.26Å; E20-D22 PolarHBondContact O-N 3.13Å; E20-D22 PolarHBondContact OE1-N 2.89Å; D22-T24 PolarHBondContact O-N 2.69Å; D22-T24 VanDerWaalsContact O-N 3.14Å; D22-T24 VanDerWaalsContact OD1-CB 3.31Å; D22-T24 WeakPolarHBondContact OD1-CB 3.43Å; D22-T24 WeakPolarHBondContact OD1-CG2 3.48Å; D22-T24 PolarHBondContact OD1-N 2.94Å; D22-T24 PolarHBondContact OD1-OG1 3.06Å; D22-T24 PolarHBondContact OD2-OG1 3.2Å; D22-K25 HydrophobicContact CB-CD 3.79Å; D22-K25 HydrophobicContact CB-CG 3.99Å; D22-K25 PolarHBondContact O-N 3.04Å; D22-K25 VanDerWaalsContact O-N 3.14Å; D22-K25 VanDerWaalsContact OD2-CE 3.23Å; D22-K25 WeakPolarHBondContact OD2-CE 3.42Å
23	P	81	Confident	91.2	Very high	127 Å²	127	57.3 Å²	57.3	83%	0.825	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-10.1	-177.5	29.9	-36.3	0	0	0	113.9
24	T	80.2	Confident	91.4	Very high	121 Å²	121	55.6 Å²	55.6	74%	0.742	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-17.5	175	75	0	0	0	0	112.8	D22	D22-T24 PolarHBondContact O-N 2.69Å; D22-T24 VanDerWaalsContact O-N 3.14Å; D22-T24 VanDerWaalsContact OD1-CB 3.31Å; D22-T24 WeakPolarHBondContact OD1-CB 3.43Å; D22-T24 WeakPolarHBondContact OD1-CG2 3.48Å; D22-T24 PolarHBondContact OD1-N 2.94Å; D22-T24 PolarHBondContact OD1-OG1 3.06Å; D22-T24 PolarHBondContact OD2-OG1 3.2Å
25	K	83.2	Confident	91.4	Very high	86 Å²	86	56 Å²	56	37%	0.374	29%	0.286	S	S	.	.	S	Bend	trans	-86.9	178.8	177.6	-63.4	177.5	-163.6	158.6	0	111.6	E20 D22	E20-K25 HydrophobicContact CG-CB 3.93Å; E20-K25 HydrophobicContact CG-CD 3.78Å; E20-K25 IonicContact OE1-NZ 3.14Å; E20-K25 PolarHBondContact OE1-NZ 3.21Å; E20-K25 WeakPolarHBondContact OE2-CD 3.49Å; E20-K25 IonicContact OE2-NZ 3.99Å; E20-K25 PolarHBondContact OE2-NZ 3.5Å; D22-K25 HydrophobicContact CB-CD 3.79Å; D22-K25 HydrophobicContact CB-CG 3.99Å; D22-K25 PolarHBondContact O-N 3.04Å; D22-K25 VanDerWaalsContact O-N 3.14Å; D22-K25 VanDerWaalsContact OD2-CE 3.23Å; D22-K25 WeakPolarHBondContact OD2-CE 3.42Å
26	A	83.3	Confident	91.2	Very high	51 Å²	51	50 Å²	50	42%	0.421	27%	0.267	S	S	.	.			trans	-75.6	127.6	174.8	0	0	0	0	0	110.5	V28 A89	A26-V28 PolarHBondContact O-N 2.88Å; A26-A89 HydrophobicContact CB-CB 3.87Å
27	K	90.3	Very high	91	Very high	146 Å²	146	51.5 Å²	51.5	64%	0.635	28%	0.277	S	S	*	.			trans	-57.9	107.6	174.2	-172.9	164.9	-174.9	164.7	0	110.6	F19	F19-K27 HydrophobicContact CD1-CD 4.34Å; F19-K27 HydrophobicContact CD1-CG 3.81Å; F19-K27 HydrophobicContact CE1-CD 4.18Å; F19-K27 HydrophobicContact CE1-CG 3.91Å
28	V	94.1	Very high	90.7	Very high	18 Å²	18	55.9 Å²	55.9	11%	0.109	30%	0.3	C	S	.	.			trans	-136.2	167.1	177.2	-64.1	0	0	0	0	109.7	F19 E20 A26 Y30 A89	F19-V28 WeakPolarHBondContact CA-O 3.35Å; E20-V28 HydrophobicContact CB-CG2 3.94Å; E20-V28 PolarHBondContact N-O 2.85Å; A26-V28 PolarHBondContact O-N 2.88Å; V28-Y30 HydrophobicContact CG2-CE1 4.15Å; V28-Y30 HydrophobicContact CG2-CE2 3.86Å; V28-A89 HydrophobicContact CG1-CB 3.84Å
29	L	95.2	Very high	90.4	Very high	7 Å²	7	58.7 Å²	58.7	4%	0.037	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	139.6	176.7	-74.4	164.3	0	0	0	110.1	L17 C18 F19 L72 L81 Q82 L85	L17-L29 HydrophobicContact CB-CD2 4.37Å; C18-L29 WeakPolarHBondContact O-CA 3.46Å; F19-L29 HydrophobicContact CB-CD2 4.4Å; F19-L29 HydrophobicContact CD1-CD2 3.57Å; F19-L29 HydrophobicContact CD1-CG 3.89Å; F19-L29 HydrophobicContact CD2-CD2 3.84Å; F19-L29 HydrophobicContact CE1-CD1 4.26Å; F19-L29 HydrophobicContact CE1-CD2 3.65Å; F19-L29 HydrophobicContact CE1-CG 3.75Å; F19-L29 HydrophobicContact CE2-CD2 3.93Å; F19-L29 HydrophobicContact CG-CD2 3.67Å; F19-L29 HydrophobicContact CG-CG 4.48Å; F19-L29 HydrophobicContact CZ-CD1 4.42Å; F19-L29 HydrophobicContact CZ-CD2 3.84Å; F19-L29 HydrophobicContact CZ-CG 4.24Å; L29-L72 HydrophobicContact CD1-CD1 3.88Å; L29-L72 HydrophobicContact CD2-CD1 3.9Å; L29-L72 HydrophobicContact CD2-CG 4.49Å; L29-L81 HydrophobicContact CD1-CB 4.37Å; L29-L81 HydrophobicContact CD1-CD2 3.99Å; L29-L81 HydrophobicContact CD1-CG 3.92Å; L29-Q82 HydrophobicContact CB-CB 4.07Å; L29-Q82 HydrophobicContact CB-CG 3.97Å; L29-Q82 HydrophobicContact CD1-CB 4.31Å; L29-Q82 PolarHBondContact O-NE2 3.04Å; L29-L85 HydrophobicContact CD1-CD1 4.04Å; L29-L85 HydrophobicContact CG-CD1 4.07Å
30	Y	95.9	Very high	89.8	Confident	69 Å²	69	58.4 Å²	58.4	27%	0.271	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	142.3	178.3	-63.8	-62.6	0	0	0	111	L17 C18 E20 V28 A32 F55 W58	L17-Y30 WeakPolarHBondContact CA-O 3.43Å; C18-Y30 PolarHBondContact N-O 3.13Å; C18-Y30 PolarHBondContact O-N 2.87Å; E20-Y30 HydrophobicContact CB-CD2 4.46Å; E20-Y30 HydrophobicContact CB-CE2 3.79Å; E20-Y30 HydrophobicContact CG-CE2 4.37Å; E20-Y30 PolarHBondContact OE2-OH 2.78Å; V28-Y30 HydrophobicContact CG2-CE1 4.15Å; V28-Y30 HydrophobicContact CG2-CE2 3.86Å; Y30-A32 PolarHBondContact O-N 2.82Å; Y30-F55 HydrophobicContact CD2-CD1 4.15Å; Y30-F55 HydrophobicContact CD2-CE1 4.2Å; Y30-F55 HydrophobicContact CG-CD1 4.36Å; Y30-W58 HydrophobicContact CD1-CZ2 4.18Å; Y30-W58 HydrophobicContact CD2-CH2 4.38Å; Y30-W58 AromaticContact CD2-CZ2 3.96Å; Y30-W58 HydrophobicContact CD2-CZ2 3.96Å; Y30-W58 AromaticContact CE1-CZ2 3.92Å; Y30-W58 HydrophobicContact CE1-CZ2 3.92Å; Y30-W58 AromaticContact CE2-CH2 3.86Å; Y30-W58 HydrophobicContact CE2-CH2 3.86Å; Y30-W58 AromaticContact CE2-CZ2 3.67Å; Y30-W58 HydrophobicContact CE2-CZ2 3.67Å; Y30-W58 HydrophobicContact CG-CZ2 4.21Å; Y30-W58 AromaticContact CZ-CZ2 3.66Å
31	D	96.1	Very high	89.5	Confident	59 Å²	59	62 Å²	62	32%	0.316	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	127	169.7	-63.3	-97.6	0	0	0	110.3	S56 R79 Q82	D31-S56 VanDerWaalsContact C-OG 3.26Å; D31-S56 WeakPolarHBondContact O-CB 3.13Å; D31-S56 PolarHBondContact O-N 2.96Å; D31-S56 PolarHBondContact O-OG 3.21Å; D31-R79 IonicContact OD1-CZ 2.69Å; D31-R79 VanDerWaalsContact OD1-CZ 3.23Å; D31-R79 IonicContact OD1-NH1 3.75Å; D31-R79 PolarHBondContact OD1-NH1 2.81Å; D31-R79 IonicContact OD1-NH2 2.94Å; D31-R79 PolarHBondContact OD1-NH2 2.8Å; D31-R79 IonicContact OD2-NH1 3.74Å; D31-Q82 PolarHBondContact OD2-NE2 3.24Å
32	A	97.3	Very high	89.4	Confident	4 Å²	4	61.8 Å²	61.8	3%	0.033	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	170.7	-169.1	0	0	0	0	0	112.3	V16 C18 Y30 I53 H54 F55	V16-A32 HydrophobicContact CG2-CB 4.25Å; V16-A32 PolarHBondContact N-O 3.29Å; V16-A32 CarbonylContact O-C 3.53Å; V16-A32 WeakPolarHBondContact O-CA 3.5Å; V16-A32 PolarHBondContact O-N 2.97Å; V16-A32 VanDerWaalsContact O-O 3.05Å; C18-A32 HydrophobicContact CB-CB 4.03Å; Y30-A32 PolarHBondContact O-N 2.82Å; A32-I53 HydrophobicContact CB-CG2 3.57Å; A32-H54 CarbonylContact C-O 3.56Å; A32-H54 WeakPolarHBondContact CA-O 3.4Å; A32-H54 WeakPolarHBondContact CB-O 3.47Å; A32-F55 HydrophobicContact CB-CD1 4.36Å
33	K	97	Very high	89.3	Confident	99 Å²	99	68.2 Å²	68.2	43%	0.43	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	136.6	179.6	-172.5	174.5	-178.3	175.3	0	110.8	G13 E14 L35 H54	G13-K33 WeakPolarHBondContact O-CE 3.34Å; E14-K33 WeakPolarHBondContact O-CA 3.24Å; K33-L35 PolarHBondContact O-N 3.47Å; K33-H54 PolarHBondContact N-O 3.37Å; K33-H54 PolarHBondContact O-N 2.94Å
34	V	96.9	Very high	89.2	Confident	1 Å²	1	68.6 Å²	68.6	1%	0.006	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	116	172.2	-177	0	0	0	0	108.9	F10 H11 G13 E14 V16 V37 Y51 I53	F10-V34 HydrophobicContact CB-CG2 4.06Å; H11-V34 WeakPolarHBondContact O-CB 3.39Å; G13-V34 PolarHBondContact N-O 3.4Å; E14-V34 PolarHBondContact O-N 3.47Å; V16-V34 HydrophobicContact CG1-CG2 4.03Å; V16-V34 HydrophobicContact CG2-CG2 3.94Å; V34-V37 HydrophobicContact CG1-CG2 4Å; V34-Y51 HydrophobicContact CG1-CD1 4.28Å; V34-I53 HydrophobicContact CG2-CD1 3.96Å
35	L	94.8	Very high	89.1	Confident	58 Å²	58	65.5 Å²	65.5	30%	0.304	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	-32.7	174	-65.3	-169.5	0	0	0	112.8	K12 K33 L52 H54 D63	K12-L35 WeakPolarHBondContact CD-O 3.46Å; K12-L35 WeakPolarHBondContact CE-O 3.39Å; K12-L35 WeakPolarHBondContact CG-O 3.25Å; K12-L35 PolarHBondContact NZ-O 3.43Å; K33-L35 PolarHBondContact O-N 3.47Å; L35-L52 HydrophobicContact CB-CB 4.36Å; L35-L52 HydrophobicContact CB-CD2 4.02Å; L35-L52 HydrophobicContact CB-CG 4.05Å; L35-L52 HydrophobicContact CD1-CD2 4.37Å; L35-L52 HydrophobicContact CD1-CG 4.48Å; L35-L52 PolarHBondContact N-O 3.4Å; L35-H54 HydrophobicContact CD1-CB 3.81Å; L35-H54 HydrophobicContact CD2-CB 3.94Å; L35-H54 HydrophobicContact CG-CB 3.69Å; L35-D63 WeakPolarHBondContact CD1-OD2 3.43Å
36	D	93	Very high	89	Confident	56 Å²	56	68.5 Å²	68.5	30%	0.299	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	166.2	-177.3	-145.5	22.2	0	0	0	112.5	K12 L52 W65	K12-D36 WeakPolarHBondContact CD-OD1 3.4Å; K12-D36 IonicContact NZ-OD1 3.63Å; K12-D36 PolarHBondContact NZ-OD1 2.86Å; D36-L52 HydrophobicContact CB-CB 4Å; D36-L52 HydrophobicContact CB-CD2 4.24Å; D36-L52 PolarHBondContact O-N 3.07Å; D36-W65 HydrophobicContact CB-CH2 4.04Å
37	V	92.8	Very high	89	Confident	35 Å²	35	73.8 Å²	73.8	21%	0.212	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	126.4	-178.9	-167	0	0	0	0	110.2	Y8 V34 Y51	Y8-V37 HydrophobicContact CD1-CG1 3.7Å; Y8-V37 HydrophobicContact CE1-CG1 3.83Å; V34-V37 HydrophobicContact CG1-CG2 4Å; V37-Y51 HydrophobicContact CB-CD1 4.43Å; V37-Y51 HydrophobicContact CG1-CD1 3.85Å; V37-Y51 HydrophobicContact CG1-CE1 3.76Å; V37-Y51 HydrophobicContact CG2-CD1 3.9Å; V37-Y51 HydrophobicContact CG2-CE1 4.24Å
38	L	89.8	Confident	88.9	Confident	93 Å²	93	68.8 Å²	68.8	49%	0.487	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	147.1	174.4	-73.4	177	0	0	0	110.7	P49 K50 W65	L38-P49 CarbonylContact O-C 3.52Å; L38-P49 WeakPolarHBondContact O-CA 3.38Å; L38-K50 PolarHBondContact N-O 3.13Å; L38-K50 PolarHBondContact O-N 3.23Å; L38-W65 HydrophobicContact CB-CH2 4.11Å; L38-W65 HydrophobicContact CB-CZ3 3.91Å; L38-W65 HydrophobicContact CD1-CH2 3.38Å; L38-W65 HydrophobicContact CD1-CZ2 3.5Å; L38-W65 VanDerWaalsContact CD1-CZ2 3.5Å; L38-W65 HydrophobicContact CD1-CZ3 3.93Å; L38-W65 HydrophobicContact CG-CH2 3.45Å; L38-W65 VanDerWaalsContact CG-CH2 3.45Å; L38-W65 HydrophobicContact CG-CZ2 4.11Å; L38-W65 HydrophobicContact CG-CZ3 3.79Å
39	I	88.3	Confident	88.7	Confident	61 Å²	61	68.7 Å²	68.7	31%	0.313	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	108.2	167.1	-61.8	162.6	0	0	0	107.5	I6 Y8 R47	I6-I39 HydrophobicContact CD1-CD1 3.76Å; I6-I39 HydrophobicContact CD1-CG1 4.23Å; I6-I39 HydrophobicContact CD1-CG2 3.9Å; I6-I39 HydrophobicContact CG2-CD1 4.47Å; I6-I39 HydrophobicContact CG2-CG1 4.45Å; Y8-I39 HydrophobicContact CE1-CG1 4.17Å; Y8-I39 WeakPolarHBondContact OH-CD1 3.38Å; I39-R47 HydrophobicContact CG2-CB 3.89Å; I39-R47 HydrophobicContact CG2-CG 4.47Å
40	G	82.2	Confident	88.5	Confident	18 Å²	18	72 Å²	72	19%	0.186	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	172.1	169.6	0	0	0	0	0	112	R47 V48	G40-R47 WeakPolarHBondContact O-CA 3.42Å; G40-V48 PolarHBondContact N-O 3.01Å; G40-V48 PolarHBondContact O-N 3.4Å; G40-V48 VanDerWaalsContact O-O 3.14Å
41	T	84.3	Confident	88.5	Confident	93 Å²	93	68.8 Å²	68.8	57%	0.571	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.2	138.3	163.7	-43.6	0	0	0	0	108.8	G45 R46	T41-G45 VanDerWaalsContact CG2-C 3.49Å; T41-G45 WeakPolarHBondContact CG2-O 3.43Å; T41-R46 CarbonylContact C-O 3.59Å; T41-R46 WeakPolarHBondContact CA-O 3.48Å
42	D	80	Confident	88.4	Confident	44 Å²	44	67.7 Å²	67.7	24%	0.235	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-78.9	164.2	169.9	-179.4	33.9	0	0	0	110.8	H44 G45 R46 V48	D42-H44 PolarHBondContact O-N 3.48Å; D42-H44 VanDerWaalsContact O-N 3.09Å; D42-H44 IonicContact OD1-ND1 2.82Å; D42-H44 IonicContact OD2-CG 3.68Å; D42-H44 IonicContact OD2-ND1 3.52Å; D42-H44 PolarHBondContact OD2-ND1 2.98Å; D42-G45 PolarHBondContact O-N 2.95Å; D42-R46 HydrophobicContact CB-CB 4.19Å; D42-R46 WeakPolarHBondContact CB-O 3.09Å; D42-R46 PolarHBondContact N-O 3.12Å; D42-R46 IonicContact OD2-CZ 3.14Å; D42-R46 IonicContact OD2-NE 3.23Å; D42-R46 PolarHBondContact OD2-NE 3.4Å; D42-R46 VanDerWaalsContact OD2-NE 3.11Å; D42-R46 IonicContact OD2-NH2 3.82Å; D42-R46 PolarHBondContact OD2-NH2 2.9Å; D42-V48 HydrophobicContact CB-CG1 4.06Å; D42-V48 HydrophobicContact CB-CG2 3.99Å
43	E	80.1	Confident	88.5	Confident	187 Å²	187	67.5 Å²	67.5	87%	0.874	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-27	176.1	-62.4	-177.8	163.7	0	0	112	G45	E43-G45 VanDerWaalsContact C-N 3.3Å; E43-G45 PolarHBondContact O-N 2.86Å
44	H	78.6	Confident	88.4	Confident	134 Å²	134	65 Å²	65	62%	0.62	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	16.2	177	-53.8	84.2	0	0	0	113.9	D42 R46	D42-H44 PolarHBondContact O-N 3.48Å; D42-H44 VanDerWaalsContact O-N 3.09Å; D42-H44 IonicContact OD1-ND1 2.82Å; D42-H44 IonicContact OD2-CG 3.68Å; D42-H44 IonicContact OD2-ND1 3.52Å; D42-H44 PolarHBondContact OD2-ND1 2.98Å; H44-R46 HydrophobicContact CB-CG 4.27Å; H44-R46 PolarHBondContact O-N 3.39Å; H44-R46 VanDerWaalsContact O-N 3.09Å
45	G	78.3	Confident	88.4	Confident	56 Å²	56	65 Å²	65	58%	0.577	33%	0.331	S	S	*	.	S	Bend	trans	71.7	-0.6	-179.1	0	0	0	0	0	115.4	T41 D42 E43	T41-G45 VanDerWaalsContact CG2-C 3.49Å; T41-G45 WeakPolarHBondContact CG2-O 3.43Å; D42-G45 PolarHBondContact O-N 2.95Å; E43-G45 VanDerWaalsContact C-N 3.3Å; E43-G45 PolarHBondContact O-N 2.86Å
46	R	81.4	Confident	88.3	Confident	150 Å²	150	65.4 Å²	65.4	57%	0.566	34%	0.339	S	S	*	.			trans	-76.9	142.6	-177.6	-59.2	178.4	-63.4	-173.9	0	111.1	T41 D42 H44 V48	T41-R46 CarbonylContact C-O 3.59Å; T41-R46 WeakPolarHBondContact CA-O 3.48Å; D42-R46 HydrophobicContact CB-CB 4.19Å; D42-R46 WeakPolarHBondContact CB-O 3.09Å; D42-R46 PolarHBondContact N-O 3.12Å; D42-R46 IonicContact OD2-CZ 3.14Å; D42-R46 IonicContact OD2-NE 3.23Å; D42-R46 PolarHBondContact OD2-NE 3.4Å; D42-R46 VanDerWaalsContact OD2-NE 3.11Å; D42-R46 IonicContact OD2-NH2 3.82Å; D42-R46 PolarHBondContact OD2-NH2 2.9Å; H44-R46 HydrophobicContact CB-CG 4.27Å; H44-R46 PolarHBondContact O-N 3.39Å; H44-R46 VanDerWaalsContact O-N 3.09Å; R46-V48 PolarHBondContact O-N 3.24Å
47	R	83.6	Confident	88.2	Confident	161 Å²	161	66.8 Å²	66.8	61%	0.608	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.3	118	174.3	-63.6	178.9	71.2	-156.6	2.9	109.6	I6 I39 G40	I6-R47 HydrophobicContact CD1-CB 3.82Å; I39-R47 HydrophobicContact CG2-CB 3.89Å; I39-R47 HydrophobicContact CG2-CG 4.47Å; G40-R47 WeakPolarHBondContact O-CA 3.42Å
48	V	87.1	Confident	88	Confident	41 Å²	41	68.6 Å²	68.6	25%	0.248	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	139.5	-177	-65	0	0	0	0	111	G40 D42 R46	G40-V48 PolarHBondContact N-O 3.01Å; G40-V48 PolarHBondContact O-N 3.4Å; G40-V48 VanDerWaalsContact O-O 3.14Å; D42-V48 HydrophobicContact CB-CG1 4.06Å; D42-V48 HydrophobicContact CB-CG2 3.99Å; R46-V48 PolarHBondContact O-N 3.24Å
49	P	89.4	Confident	88	Confident	16 Å²	16	67.2 Å²	67.2	10%	0.104	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	141.6	174.6	32	-35.3	0	0	0	110.9	Y8 L38 Y51 E68	Y8-P49 HydrophobicContact CD1-CB 3.96Å; Y8-P49 HydrophobicContact CE1-CB 4.32Å; L38-P49 CarbonylContact O-C 3.52Å; L38-P49 WeakPolarHBondContact O-CA 3.38Å; P49-Y51 HydrophobicContact CB-CE1 4.47Å; P49-Y51 HydrophobicContact CB-CE2 4.06Å; P49-Y51 HydrophobicContact CG-CE2 4.11Å; P49-Y51 WeakPolarHBondContact CG-OH 3.11Å; P49-E68 WeakPolarHBondContact CG-OE2 3.36Å
50	K	92.3	Very high	88.2	Confident	78 Å²	78	74.2 Å²	74.2	34%	0.339	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	137.2	169.7	-63.2	-176.3	-177.7	179.5	0	107.8	L38 W65 A66	L38-K50 PolarHBondContact N-O 3.13Å; L38-K50 PolarHBondContact O-N 3.23Å; K50-W65 HydrophobicContact CB-CE3 4.22Å; K50-W65 WeakPolarHBondContact O-CZ3 3.44Å; K50-A66 CarbonylContact C-O 3.59Å; K50-A66 WeakPolarHBondContact CA-O 3.34Å
51	Y	94.9	Very high	88.6	Confident	0 Å²	0	78.3 Å²	78.3	0%	0	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	128.9	-171.5	-55.8	-86.3	0	0	0	108.8	Q9 F10 V34 V37 P49 I53 W65 A66 E68	Q9-Y51 PolarHBondContact N-OH 3.26Å; F10-Y51 HydrophobicContact CB-CD1 4.15Å; F10-Y51 HydrophobicContact CB-CE1 3.93Å; F10-Y51 HydrophobicContact CD2-CD1 4.49Å; F10-Y51 HydrophobicContact CD2-CD2 4.39Å; F10-Y51 HydrophobicContact CD2-CE1 4.2Å; F10-Y51 HydrophobicContact CD2-CE2 4.07Å; F10-Y51 AromaticContact CD2-CZ 3.97Å; F10-Y51 WeakPolarHBondContact O-CE1 3.18Å; V34-Y51 HydrophobicContact CG1-CD1 4.28Å; V37-Y51 HydrophobicContact CB-CD1 4.43Å; V37-Y51 HydrophobicContact CG1-CD1 3.85Å; V37-Y51 HydrophobicContact CG1-CE1 3.76Å; V37-Y51 HydrophobicContact CG2-CD1 3.9Å; V37-Y51 HydrophobicContact CG2-CE1 4.24Å; P49-Y51 HydrophobicContact CB-CE1 4.47Å; P49-Y51 HydrophobicContact CB-CE2 4.06Å; P49-Y51 HydrophobicContact CG-CE2 4.11Å; P49-Y51 WeakPolarHBondContact CG-OH 3.11Å; Y51-I53 PolarHBondContact O-N 3.38Å; Y51-W65 WeakPolarHBondContact O-CA 3.49Å; Y51-A66 PolarHBondContact N-O 3.05Å; Y51-A66 PolarHBondContact O-N 3.4Å; Y51-E68 HydrophobicContact CE2-CB 3.87Å; Y51-E68 HydrophobicContact CE2-CG 3.99Å; Y51-E68 PolarHBondContact OH-OE2 3.3Å
52	L	95.7	Very high	88.8	Confident	36 Å²	36	79.6 Å²	79.6	19%	0.188	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	114.1	172.3	179.9	60.7	0	0	0	108	L35 D36 D63 W65	L35-L52 HydrophobicContact CB-CB 4.36Å; L35-L52 HydrophobicContact CB-CD2 4.02Å; L35-L52 HydrophobicContact CB-CG 4.05Å; L35-L52 HydrophobicContact CD1-CD2 4.37Å; L35-L52 HydrophobicContact CD1-CG 4.48Å; L35-L52 PolarHBondContact N-O 3.4Å; D36-L52 HydrophobicContact CB-CB 4Å; D36-L52 HydrophobicContact CB-CD2 4.24Å; D36-L52 PolarHBondContact O-N 3.07Å; L52-D63 HydrophobicContact CD1-CB 4.26Å; L52-W65 HydrophobicContact CB-CD2 4.11Å; L52-W65 HydrophobicContact CB-CE3 3.87Å; L52-W65 HydrophobicContact CB-CH2 3.65Å; L52-W65 HydrophobicContact CB-CZ2 3.91Å; L52-W65 HydrophobicContact CB-CZ3 3.65Å; L52-W65 HydrophobicContact CD1-CD2 4.31Å; L52-W65 HydrophobicContact CD1-CZ2 4.45Å; L52-W65 HydrophobicContact CD2-CZ2 4.21Å; L52-W65 HydrophobicContact CG-CZ2 4.42Å
53	I	97.4	Very high	89.5	Confident	1 Å²	1	79.1 Å²	79.1	1%	0.005	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	127.3	-173.5	-57.7	-54.5	0	0	0	110.4	V16 C18 A32 V34 Y51 F55 D63 R64 A66 V71	V16-I53 HydrophobicContact CG2-CD1 4.2Å; C18-I53 HydrophobicContact CB-CG2 3.8Å; A32-I53 HydrophobicContact CB-CG2 3.57Å; V34-I53 HydrophobicContact CG2-CD1 3.96Å; Y51-I53 PolarHBondContact O-N 3.38Å; I53-F55 HydrophobicContact CG2-CE1 4.35Å; I53-F55 HydrophobicContact CG2-CE2 4.38Å; I53-F55 HydrophobicContact CG2-CZ 4.22Å; I53-D63 VanDerWaalsContact O-CA 3.31Å; I53-D63 WeakPolarHBondContact O-CA 3.12Å; I53-R64 PolarHBondContact N-O 3.29Å; I53-R64 PolarHBondContact O-N 3.3Å; I53-R64 VanDerWaalsContact O-N 3.16Å; I53-A66 HydrophobicContact CG1-CB 3.71Å; I53-V71 HydrophobicContact CD1-CG1 4.32Å; I53-V71 HydrophobicContact CD1-CG2 3.91Å; I53-V71 HydrophobicContact CG1-CG2 4.01Å
54	H	96.3	Very high	90.1	Very high	45 Å²	45	77 Å²	77	21%	0.208	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	127.2	166.9	175.6	65.1	0	0	0	110.2	A32 K33 L35 W58 D63	A32-H54 CarbonylContact C-O 3.56Å; A32-H54 WeakPolarHBondContact CA-O 3.4Å; A32-H54 WeakPolarHBondContact CB-O 3.47Å; K33-H54 PolarHBondContact N-O 3.37Å; K33-H54 PolarHBondContact O-N 2.94Å; L35-H54 HydrophobicContact CD1-CB 3.81Å; L35-H54 HydrophobicContact CD2-CB 3.94Å; L35-H54 HydrophobicContact CG-CB 3.69Å; H54-W58 PolarHBondContact CE1-O 3.09Å; H54-D63 WeakPolarHBondContact CA-OD1 3.21Å; H54-D63 IonicContact CE1-OD1 2.82Å; H54-D63 IonicContact CG-OD1 3.92Å; H54-D63 IonicContact ND1-OD1 3.65Å; H54-D63 PolarHBondContact ND1-OD1 2.8Å; H54-D63 IonicContact ND1-OD2 2.6Å
55	F	95.5	Very high	90.8	Very high	3 Å²	3	76.2 Å²	76.2	1%	0.013	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	129.6	-179.7	-63.5	-86.3	0	0	0	111.1	C18 P21 Y30 A32 I53 G57 W58	C18-F55 HydrophobicContact CB-CE1 3.72Å; C18-F55 HydrophobicContact CB-CZ 4.3Å; P21-F55 HydrophobicContact CG-CE2 4.47Å; P21-F55 HydrophobicContact CG-CZ 4.16Å; Y30-F55 HydrophobicContact CD2-CD1 4.15Å; Y30-F55 HydrophobicContact CD2-CE1 4.2Å; Y30-F55 HydrophobicContact CG-CD1 4.36Å; A32-F55 HydrophobicContact CB-CD1 4.36Å; I53-F55 HydrophobicContact CG2-CE1 4.35Å; I53-F55 HydrophobicContact CG2-CE2 4.38Å; I53-F55 HydrophobicContact CG2-CZ 4.22Å; F55-G57 PolarHBondContact O-N 3.5Å; F55-W58 HydrophobicContact CB-CB 3.93Å; F55-W58 HydrophobicContact CB-CD2 3.78Å; F55-W58 HydrophobicContact CB-CE3 4.41Å; F55-W58 HydrophobicContact CB-CG 3.54Å; F55-W58 HydrophobicContact CG-CD2 4.4Å; F55-W58 WeakPolarHBondContact O-CB 3.42Å; F55-W58 PolarHBondContact O-N 3.14Å
56	S	92.9	Very high	91.4	Very high	66 Å²	66	74.2 Å²	74.2	46%	0.462	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	120.1	-171.3	-55.1	0	0	0	0	111.3	D31	D31-S56 VanDerWaalsContact C-OG 3.26Å; D31-S56 WeakPolarHBondContact O-CB 3.13Å; D31-S56 PolarHBondContact O-N 2.96Å; D31-S56 PolarHBondContact O-OG 3.21Å
57	G	90.8	Very high	91.9	Very high	85 Å²	85	68.9 Å²	68.9	88%	0.876	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.2	12.5	-176.1	0	0	0	0	0	114.8	F55	F55-G57 PolarHBondContact O-N 3.5Å
58	W	89.3	Confident	92.2	Very high	73 Å²	73	64 Å²	64	28%	0.277	33%	0.333	S	S	.	.	S	Bend	trans	-107.3	158.4	173.9	-60	45.9	0	0	0	109.7	Y30 H54 F55 W62	Y30-W58 HydrophobicContact CD1-CZ2 4.18Å; Y30-W58 HydrophobicContact CD2-CH2 4.38Å; Y30-W58 AromaticContact CD2-CZ2 3.96Å; Y30-W58 HydrophobicContact CD2-CZ2 3.96Å; Y30-W58 AromaticContact CE1-CZ2 3.92Å; Y30-W58 HydrophobicContact CE1-CZ2 3.92Å; Y30-W58 AromaticContact CE2-CH2 3.86Å; Y30-W58 HydrophobicContact CE2-CH2 3.86Å; Y30-W58 AromaticContact CE2-CZ2 3.67Å; Y30-W58 HydrophobicContact CE2-CZ2 3.67Å; Y30-W58 HydrophobicContact CG-CZ2 4.21Å; Y30-W58 AromaticContact CZ-CZ2 3.66Å; H54-W58 PolarHBondContact CE1-O 3.09Å; F55-W58 HydrophobicContact CB-CB 3.93Å; F55-W58 HydrophobicContact CB-CD2 3.78Å; F55-W58 HydrophobicContact CB-CE3 4.41Å; F55-W58 HydrophobicContact CB-CG 3.54Å; F55-W58 HydrophobicContact CG-CD2 4.4Å; F55-W58 WeakPolarHBondContact O-CB 3.42Å; F55-W58 PolarHBondContact O-N 3.14Å; W58-W62 HydrophobicContact CB-CB 4.44Å; W58-W62 HydrophobicContact CE3-CB 3.87Å; W58-W62 AromaticContact CE3-CD2 3.87Å; W58-W62 HydrophobicContact CE3-CD2 3.87Å; W58-W62 HydrophobicContact CE3-CE3 4.18Å; W58-W62 AromaticContact CE3-CG 3.73Å; W58-W62 HydrophobicContact CE3-CG 3.73Å; W58-W62 HydrophobicContact CZ3-CD2 4.06Å; W58-W62 AromaticContact CZ3-CE3 3.91Å; W58-W62 HydrophobicContact CZ3-CE3 3.91Å; W58-W62 HydrophobicContact CZ3-CG 4.37Å; W58-W62 HydrophobicContact CZ3-CZ3 4.47Å
59	S	90.5	Very high	92.3	Very high	63 Å²	63	67.3 Å²	67.3	44%	0.441	35%	0.349	S	S	.	.			trans	-75	149.2	174.2	56	0	0	0	0	111.4	S61 W62	S59-S61 PolarHBondContact O-N 3.01Å; S59-S61 PolarHBondContact OG-OG 3.31Å; S59-W62 WeakPolarHBondContact O-CB 3.36Å; S59-W62 PolarHBondContact O-N 3.36Å
60	R	92	Very high	92.4	Very high	208 Å²	208	70.3 Å²	70.3	79%	0.785	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-57.5	-17.6	-179.5	-66.8	-174.7	-174.7	165.6	1.7	114.9	W62 D63	R60-W62 PolarHBondContact O-N 2.9Å; R60-D63 WeakPolarHBondContact CA-OD2 3.43Å; R60-D63 WeakPolarHBondContact CB-OD2 3.32Å; R60-D63 VanDerWaalsContact O-CB 3.3Å; R60-D63 WeakPolarHBondContact O-CB 3.38Å; R60-D63 PolarHBondContact O-N 3.2Å
61	S	90.7	Very high	92.5	Very high	104 Å²	104	66.7 Å²	66.7	73%	0.727	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-62.8	-12.3	169.3	48.4	0	0	0	0	114.4	S59	S59-S61 PolarHBondContact O-N 3.01Å; S59-S61 PolarHBondContact OG-OG 3.31Å
62	W	88.8	Confident	92.5	Very high	121 Å²	121	68.5 Å²	68.5	46%	0.458	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-100.4	4.9	171.7	-64.9	91.8	0	0	0	113.6	W58 S59 R60 R64	W58-W62 HydrophobicContact CB-CB 4.44Å; W58-W62 HydrophobicContact CE3-CB 3.87Å; W58-W62 AromaticContact CE3-CD2 3.87Å; W58-W62 HydrophobicContact CE3-CD2 3.87Å; W58-W62 HydrophobicContact CE3-CE3 4.18Å; W58-W62 AromaticContact CE3-CG 3.73Å; W58-W62 HydrophobicContact CE3-CG 3.73Å; W58-W62 HydrophobicContact CZ3-CD2 4.06Å; W58-W62 AromaticContact CZ3-CE3 3.91Å; W58-W62 HydrophobicContact CZ3-CE3 3.91Å; W58-W62 HydrophobicContact CZ3-CG 4.37Å; W58-W62 HydrophobicContact CZ3-CZ3 4.47Å; S59-W62 WeakPolarHBondContact O-CB 3.36Å; S59-W62 PolarHBondContact O-N 3.36Å; R60-W62 PolarHBondContact O-N 2.9Å; W62-R64 WeakPolarHBondContact O-CG 3.22Å; W62-R64 PolarHBondContact O-N 3.08Å
63	D	93.4	Very high	92.5	Very high	34 Å²	34	72.8 Å²	72.8	18%	0.182	37%	0.369	C	S	.	.			trans	-69.4	124.8	176.9	-61.4	-9.4	0	0	0	109	L35 L52 I53 H54 R60	L35-D63 WeakPolarHBondContact CD1-OD2 3.43Å; L52-D63 HydrophobicContact CD1-CB 4.26Å; I53-D63 VanDerWaalsContact O-CA 3.31Å; I53-D63 WeakPolarHBondContact O-CA 3.12Å; H54-D63 WeakPolarHBondContact CA-OD1 3.21Å; H54-D63 IonicContact CE1-OD1 2.82Å; H54-D63 IonicContact CG-OD1 3.92Å; H54-D63 IonicContact ND1-OD1 3.65Å; H54-D63 PolarHBondContact ND1-OD1 2.8Å; H54-D63 IonicContact ND1-OD2 2.6Å; R60-D63 WeakPolarHBondContact CA-OD2 3.43Å; R60-D63 WeakPolarHBondContact CB-OD2 3.32Å; R60-D63 VanDerWaalsContact O-CB 3.3Å; R60-D63 WeakPolarHBondContact O-CB 3.38Å; R60-D63 PolarHBondContact O-N 3.2Å
64	R	92.6	Very high	92.3	Very high	141 Å²	141	75 Å²	75	53%	0.532	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	152.3	-175	-36.9	-157.9	86.9	178.9	4.9	112.3	I53 W62 A66	I53-R64 PolarHBondContact N-O 3.29Å; I53-R64 PolarHBondContact O-N 3.3Å; I53-R64 VanDerWaalsContact O-N 3.16Å; W62-R64 WeakPolarHBondContact O-CG 3.22Å; W62-R64 PolarHBondContact O-N 3.08Å; R64-A66 PolarHBondContact O-N 2.83Å
65	W	93.5	Very high	92.3	Very high	119 Å²	119	75.1 Å²	75.1	45%	0.451	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	115.8	168.5	-67	100.3	0	0	0	110.1	D36 L38 K50 Y51 L52	D36-W65 HydrophobicContact CB-CH2 4.04Å; L38-W65 HydrophobicContact CB-CH2 4.11Å; L38-W65 HydrophobicContact CB-CZ3 3.91Å; L38-W65 HydrophobicContact CD1-CH2 3.38Å; L38-W65 HydrophobicContact CD1-CZ2 3.5Å; L38-W65 VanDerWaalsContact CD1-CZ2 3.5Å; L38-W65 HydrophobicContact CD1-CZ3 3.93Å; L38-W65 HydrophobicContact CG-CH2 3.45Å; L38-W65 VanDerWaalsContact CG-CH2 3.45Å; L38-W65 HydrophobicContact CG-CZ2 4.11Å; L38-W65 HydrophobicContact CG-CZ3 3.79Å; K50-W65 HydrophobicContact CB-CE3 4.22Å; K50-W65 WeakPolarHBondContact O-CZ3 3.44Å; Y51-W65 WeakPolarHBondContact O-CA 3.49Å; L52-W65 HydrophobicContact CB-CD2 4.11Å; L52-W65 HydrophobicContact CB-CE3 3.87Å; L52-W65 HydrophobicContact CB-CH2 3.65Å; L52-W65 HydrophobicContact CB-CZ2 3.91Å; L52-W65 HydrophobicContact CB-CZ3 3.65Å; L52-W65 HydrophobicContact CD1-CD2 4.31Å; L52-W65 HydrophobicContact CD1-CZ2 4.45Å; L52-W65 HydrophobicContact CD2-CZ2 4.21Å; L52-W65 HydrophobicContact CG-CZ2 4.42Å
66	A	92.1	Very high	92.2	Very high	14 Å²	14	79.7 Å²	79.7	12%	0.116	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	147.6	172	0	0	0	0	0	110.5	K50 Y51 I53 R64 H70 V71	K50-A66 CarbonylContact C-O 3.59Å; K50-A66 WeakPolarHBondContact CA-O 3.34Å; Y51-A66 PolarHBondContact N-O 3.05Å; Y51-A66 PolarHBondContact O-N 3.4Å; I53-A66 HydrophobicContact CG1-CB 3.71Å; R64-A66 PolarHBondContact O-N 2.83Å; A66-H70 HydrophobicContact CB-CB 4.21Å; A66-V71 HydrophobicContact CB-CG2 3.7Å
67	A	90.9	Very high	92.4	Very high	38 Å²	38	83.6 Å²	83.6	31%	0.314	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	163.4	166.3	0	0	0	0	0	110.5	D69 H70	A67-D69 VanDerWaalsContact C-N 3.25Å; A67-D69 WeakPolarHBondContact CB-OD1 3.19Å; A67-D69 PolarHBondContact O-N 2.8Å; A67-H70 PolarHBondContact O-N 2.62Å
68	E	89.3	Confident	92.6	Very high	58 Å²	58	81.1 Å²	81.1	27%	0.271	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-59.7	-32.4	-173.3	-169.1	158.1	121.1	0	0	114	Q9 F10 P49 Y51 H70 V71	Q9-E68 VanDerWaalsContact CB-CD 3.49Å; Q9-E68 HydrophobicContact CB-CG 4.1Å; Q9-E68 WeakPolarHBondContact CB-OE1 3.28Å; Q9-E68 PolarHBondContact NE2-OE1 3.18Å; F10-E68 HydrophobicContact CE2-CG 4.41Å; P49-E68 WeakPolarHBondContact CG-OE2 3.36Å; Y51-E68 HydrophobicContact CE2-CB 3.87Å; Y51-E68 HydrophobicContact CE2-CG 3.99Å; Y51-E68 PolarHBondContact OH-OE2 3.3Å; E68-H70 VanDerWaalsContact C-N 3.26Å; E68-H70 PolarHBondContact O-N 2.84Å; E68-V71 PolarHBondContact O-N 2.96Å; E68-V71 VanDerWaalsContact O-O 3.09Å
69	D	89.3	Confident	92.8	Very high	110 Å²	110	80.9 Å²	80.9	59%	0.588	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-69.5	-20	177.1	68.2	-39.6	0	0	0	114	A67	A67-D69 VanDerWaalsContact C-N 3.25Å; A67-D69 WeakPolarHBondContact CB-OD1 3.19Å; A67-D69 PolarHBondContact O-N 2.8Å
70	H	91.9	Very high	93	Very high	79 Å²	79	83.6 Å²	83.6	37%	0.366	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-89.7	-6.8	178.8	-73.7	74	0	0	0	113.3	C18 F19 A66 A67 E68	C18-H70 WeakPolarHBondContact CA-O 3.37Å; F19-H70 PolarHBondContact N-O 3.43Å; A66-H70 HydrophobicContact CB-CB 4.21Å; A67-H70 PolarHBondContact O-N 2.62Å; E68-H70 VanDerWaalsContact C-N 3.26Å; E68-H70 PolarHBondContact O-N 2.84Å
71	V	94.5	Very high	93.1	Very high	2 Å²	2	76.7 Å²	76.7	1%	0.012	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	128.9	-175.2	-173.3	0	0	0	0	109.7	F10 V16 I53 A66 E68	F10-V71 HydrophobicContact CD1-CG1 4.47Å; F10-V71 HydrophobicContact CD2-CB 4.09Å; F10-V71 HydrophobicContact CD2-CG1 3.7Å; F10-V71 HydrophobicContact CE1-CG1 4.37Å; F10-V71 HydrophobicContact CE2-CB 3.69Å; F10-V71 HydrophobicContact CE2-CG1 3.59Å; F10-V71 WeakPolarHBondContact CE2-O 3.48Å; F10-V71 HydrophobicContact CG-CG1 4.16Å; F10-V71 HydrophobicContact CZ-CB 4.29Å; F10-V71 HydrophobicContact CZ-CG1 3.95Å; F10-V71 VanDerWaalsContact CZ-O 3.24Å; F10-V71 WeakPolarHBondContact CZ-O 3.15Å; V16-V71 HydrophobicContact CB-CG1 3.66Å; V16-V71 HydrophobicContact CG1-CG1 3.88Å; V16-V71 HydrophobicContact CG2-CG1 3.75Å; I53-V71 HydrophobicContact CD1-CG1 4.32Å; I53-V71 HydrophobicContact CD1-CG2 3.91Å; I53-V71 HydrophobicContact CG1-CG2 4.01Å; A66-V71 HydrophobicContact CB-CG2 3.7Å; E68-V71 PolarHBondContact O-N 2.96Å; E68-V71 VanDerWaalsContact O-O 3.09Å
72	L	95.3	Very high	93.3	Very high	39 Å²	39	73.1 Å²	73.1	20%	0.204	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	148.3	179.8	-61.3	179.5	0	0	0	110.5	V16 L17 F19 L29 N78 L81	V16-L72 CarbonylContact C-O 3.5Å; V16-L72 WeakPolarHBondContact CA-O 3.43Å; V16-L72 WeakPolarHBondContact CB-O 3.4Å; L17-L72 HydrophobicContact CB-CB 4.32Å; L17-L72 PolarHBondContact N-O 2.89Å; L17-L72 PolarHBondContact O-N 3.35Å; F19-L72 HydrophobicContact CE2-CD1 3.89Å; F19-L72 HydrophobicContact CE2-CG 4.19Å; F19-L72 HydrophobicContact CZ-CD1 4.02Å; L29-L72 HydrophobicContact CD1-CD1 3.88Å; L29-L72 HydrophobicContact CD2-CD1 3.9Å; L29-L72 HydrophobicContact CD2-CG 4.49Å; L72-N78 HydrophobicContact CB-CB 4.47Å; L72-L81 HydrophobicContact CD1-CD2 4.09Å
73	R	95.4	Very high	93.5	Very high	125 Å²	125	73.8 Å²	73.8	47%	0.472	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	149.1	177	-145.7	177.7	-56.3	145.6	14.3	111.1	F10 T75 N78	F10-R73 HydrophobicContact CE1-CB 3.9Å; F10-R73 HydrophobicContact CE1-CG 4.14Å; R73-T75 VanDerWaalsContact C-N 3.27Å; R73-T75 HydrophobicContact CB-CG2 4.31Å; R73-T75 PolarHBondContact O-N 3.04Å; R73-N78 WeakPolarHBondContact O-CB 3.42Å; R73-N78 PolarHBondContact O-ND2 3.14Å
74	D	94.1	Very high	93.6	Very high	47 Å²	47	79 Å²	79	25%	0.251	36%	0.361	S	S	.	.	S	Bend	trans	-71.3	77.2	176.4	-167.4	1.5	0	0	0	111.2	R15 R79	R15-D74 IonicContact NE-OD2 3.97Å; R15-D74 IonicContact NH2-OD2 3.75Å; D74-R79 VanDerWaalsContact CG-NH2 3.27Å; D74-R79 IonicContact OD1-CZ 3.26Å; D74-R79 IonicContact OD1-NE 2.67Å; D74-R79 PolarHBondContact OD1-NE 2.95Å; D74-R79 IonicContact OD1-NH2 3.27Å; D74-R79 PolarHBondContact OD1-NH2 2.82Å; D74-R79 IonicContact OD2-CZ 3.16Å; D74-R79 IonicContact OD2-NH2 2.62Å; D74-R79 PolarHBondContact OD2-NH2 2.83Å
75	T	95.6	Very high	93.6	Very high	49 Å²	49	73.7 Å²	73.7	30%	0.301	34%	0.343	S	S	.	.			trans	-114.1	155.8	175.2	65.9	0	0	0	0	110.7	R73 E77 N78 R79	R73-T75 VanDerWaalsContact C-N 3.27Å; R73-T75 HydrophobicContact CB-CG2 4.31Å; R73-T75 PolarHBondContact O-N 3.04Å; T75-E77 PolarHBondContact O-N 3.18Å; T75-N78 PolarHBondContact O-N 3.49Å; T75-N78 PolarHBondContact OG1-N 2.99Å; T75-N78 PolarHBondContact OG1-ND2 2.73Å; T75-N78 VanDerWaalsContact OG1-ND2 3.16Å; T75-R79 PolarHBondContact O-N 2.82Å
76	E	94.2	Very high	93.4	Very high	98 Å²	98	70.5 Å²	70.5	46%	0.458	34%	0.342	S	S	.	.	H	α-helix	trans	-62.1	-29.8	178.3	173.9	51.8	-162.4	0	0	112.5	R79 K80 R83	E76-R79 PolarHBondContact O-N 2.92Å; E76-K80 HydrophobicContact CG-CD 4.44Å; E76-K80 WeakPolarHBondContact O-CB 3.42Å; E76-K80 VanDerWaalsContact O-CG 3.25Å; E76-K80 WeakPolarHBondContact O-CG 3.5Å; E76-K80 PolarHBondContact O-N 3Å; E76-K80 WeakPolarHBondContact OE1-CE 3.45Å; E76-R83 VanDerWaalsContact CD-NH2 3.27Å; E76-R83 IonicContact OE1-CZ 3.43Å; E76-R83 IonicContact OE1-NH1 2.7Å; E76-R83 IonicContact OE1-NH2 3.18Å; E76-R83 PolarHBondContact OE1-NH2 3.02Å; E76-R83 IonicContact OE2-NH2 2.59Å; E76-R83 PolarHBondContact OE2-NH2 3.09Å
77	E	95.3	Very high	93.4	Very high	149 Å²	149	77.3 Å²	77.3	70%	0.696	37%	0.365	S	S	*	.	H	α-helix	trans	-63.1	-45.6	171	-61.8	-179.9	156.9	0	0	112	T75 R79 K80 L81	T75-E77 PolarHBondContact O-N 3.18Å; E77-R79 VanDerWaalsContact C-N 3.34Å; E77-R79 PolarHBondContact O-N 2.85Å; E77-K80 WeakPolarHBondContact O-CB 3.31Å; E77-K80 PolarHBondContact O-N 2.61Å; E77-L81 PolarHBondContact O-N 2.97Å
78	N	95	Very high	93.4	Very high	33 Å²	33	82 Å²	82	18%	0.176	38%	0.378	C	S	.	.	H	α-helix	trans	-71.3	-29.3	177.3	-68.6	-32.4	0	0	0	111.9	L17 L72 R73 T75 L81 Q82	L17-N78 HydrophobicContact CD1-CB 3.68Å; L72-N78 HydrophobicContact CB-CB 4.47Å; R73-N78 WeakPolarHBondContact O-CB 3.42Å; R73-N78 PolarHBondContact O-ND2 3.14Å; T75-N78 PolarHBondContact O-N 3.49Å; T75-N78 PolarHBondContact OG1-N 2.99Å; T75-N78 PolarHBondContact OG1-ND2 2.73Å; T75-N78 VanDerWaalsContact OG1-ND2 3.16Å; N78-L81 WeakPolarHBondContact O-CB 3.5Å; N78-L81 PolarHBondContact O-N 3.36Å; N78-Q82 WeakPolarHBondContact O-CB 3.45Å; N78-Q82 PolarHBondContact O-N 3.3Å
79	R	94.3	Very high	93.3	Very high	68 Å²	68	80.3 Å²	80.3	26%	0.257	37%	0.374	S	S	.	.	H	α-helix	trans	-72.2	-31	168.7	-69.9	-165.4	176.5	-80.3	-3.7	113.2	L17 D31 D74 T75 E76 E77 R83	L17-R79 HydrophobicContact CD1-CG 4.04Å; D31-R79 IonicContact OD1-CZ 2.69Å; D31-R79 VanDerWaalsContact OD1-CZ 3.23Å; D31-R79 IonicContact OD1-NH1 3.75Å; D31-R79 PolarHBondContact OD1-NH1 2.81Å; D31-R79 IonicContact OD1-NH2 2.94Å; D31-R79 PolarHBondContact OD1-NH2 2.8Å; D31-R79 IonicContact OD2-NH1 3.74Å; D74-R79 VanDerWaalsContact CG-NH2 3.27Å; D74-R79 IonicContact OD1-CZ 3.26Å; D74-R79 IonicContact OD1-NE 2.67Å; D74-R79 PolarHBondContact OD1-NE 2.95Å; D74-R79 IonicContact OD1-NH2 3.27Å; D74-R79 PolarHBondContact OD1-NH2 2.82Å; D74-R79 IonicContact OD2-CZ 3.16Å; D74-R79 IonicContact OD2-NH2 2.62Å; D74-R79 PolarHBondContact OD2-NH2 2.83Å; T75-R79 PolarHBondContact O-N 2.82Å; E76-R79 PolarHBondContact O-N 2.92Å; E77-R79 VanDerWaalsContact C-N 3.34Å; E77-R79 PolarHBondContact O-N 2.85Å; R79-R83 WeakPolarHBondContact O-CG 3.31Å; R79-R83 PolarHBondContact O-N 3.45Å; R79-R83 VanDerWaalsContact O-N 3.13Å; R79-R83 PolarHBondContact O-NE 3.11Å
80	K	94.8	Very high	93.1	Very high	120 Å²	120	79.1 Å²	79.1	52%	0.522	37%	0.367	S	S	.	.	H	α-helix	trans	-65	-42.3	167.2	-73.7	165.6	-178.3	170.4	0	110.4	E76 E77 R83 K84	E76-K80 HydrophobicContact CG-CD 4.44Å; E76-K80 WeakPolarHBondContact O-CB 3.42Å; E76-K80 VanDerWaalsContact O-CG 3.25Å; E76-K80 WeakPolarHBondContact O-CG 3.5Å; E76-K80 PolarHBondContact O-N 3Å; E76-K80 WeakPolarHBondContact OE1-CE 3.45Å; E77-K80 WeakPolarHBondContact O-CB 3.31Å; E77-K80 PolarHBondContact O-N 2.61Å; K80-R83 PolarHBondContact O-N 2.87Å; K80-K84 WeakPolarHBondContact O-CB 3.5Å; K80-K84 PolarHBondContact O-N 3.04Å
81	L	93.2	Very high	92.7	Very high	62 Å²	62	77 Å²	77	33%	0.325	37%	0.367	S	S	.	.	H	α-helix	trans	-63.5	-45.7	174.7	-179.4	60.2	0	0	0	112.3	L29 L72 E77 N78 R83 K84 L85	L29-L81 HydrophobicContact CD1-CB 4.37Å; L29-L81 HydrophobicContact CD1-CD2 3.99Å; L29-L81 HydrophobicContact CD1-CG 3.92Å; L72-L81 HydrophobicContact CD1-CD2 4.09Å; E77-L81 PolarHBondContact O-N 2.97Å; N78-L81 WeakPolarHBondContact O-CB 3.5Å; N78-L81 PolarHBondContact O-N 3.36Å; L81-R83 VanDerWaalsContact C-N 3.34Å; L81-R83 PolarHBondContact O-N 3Å; L81-K84 PolarHBondContact O-N 3.26Å; L81-K84 VanDerWaalsContact O-N 3.13Å; L81-L85 HydrophobicContact CD1-CD1 4.09Å; L81-L85 HydrophobicContact CD1-CG 4.01Å; L81-L85 HydrophobicContact CG-CD1 4.02Å; L81-L85 HydrophobicContact CG-CG 4.36Å; L81-L85 WeakPolarHBondContact O-CB 3.39Å; L81-L85 WeakPolarHBondContact O-CG 3.44Å; L81-L85 PolarHBondContact O-N 3.45Å
82	Q	95.4	Very high	92.1	Very high	30 Å²	30	85.2 Å²	85.2	14%	0.14	40%	0.398	C	S	.	.	H	α-helix	trans	-53	-50.4	174.5	-176.2	-176.3	33.5	0	0	111	L29 D31 N78 L85 A86	L29-Q82 HydrophobicContact CB-CB 4.07Å; L29-Q82 HydrophobicContact CB-CG 3.97Å; L29-Q82 HydrophobicContact CD1-CB 4.31Å; L29-Q82 PolarHBondContact O-NE2 3.04Å; D31-Q82 PolarHBondContact OD2-NE2 3.24Å; N78-Q82 WeakPolarHBondContact O-CB 3.45Å; N78-Q82 PolarHBondContact O-N 3.3Å; Q82-L85 PolarHBondContact O-N 3.39Å; Q82-A86 WeakPolarHBondContact O-CB 3.47Å; Q82-A86 PolarHBondContact O-N 3.21Å
83	R	93.4	Very high	91.1	Very high	134 Å²	134	89.4 Å²	89.4	51%	0.506	42%	0.418	S	S	.	.	H	α-helix	trans	-61.2	-44.5	174.7	-75.5	175.1	-78.6	164.7	-12.3	112.7	E76 R79 K80 L81 L85 A86 R87	E76-R83 VanDerWaalsContact CD-NH2 3.27Å; E76-R83 IonicContact OE1-CZ 3.43Å; E76-R83 IonicContact OE1-NH1 2.7Å; E76-R83 IonicContact OE1-NH2 3.18Å; E76-R83 PolarHBondContact OE1-NH2 3.02Å; E76-R83 IonicContact OE2-NH2 2.59Å; E76-R83 PolarHBondContact OE2-NH2 3.09Å; R79-R83 WeakPolarHBondContact O-CG 3.31Å; R79-R83 PolarHBondContact O-N 3.45Å; R79-R83 VanDerWaalsContact O-N 3.13Å; R79-R83 PolarHBondContact O-NE 3.11Å; K80-R83 PolarHBondContact O-N 2.87Å; L81-R83 VanDerWaalsContact C-N 3.34Å; L81-R83 PolarHBondContact O-N 3Å; R83-L85 PolarHBondContact O-N 2.73Å; R83-A86 PolarHBondContact O-N 3.44Å; R83-R87 WeakPolarHBondContact O-CB 3.43Å; R83-R87 PolarHBondContact O-N 3.13Å
84	K	94.8	Very high	90.3	Very high	144 Å²	144	90.7 Å²	90.7	63%	0.626	43%	0.427	S	S	*	.	H	α-helix	trans	-61	-42.9	178.4	-170.2	171.3	-177.8	173.4	0	111.5	K80 L81 K88	K80-K84 WeakPolarHBondContact O-CB 3.5Å; K80-K84 PolarHBondContact O-N 3.04Å; L81-K84 PolarHBondContact O-N 3.26Å; L81-K84 VanDerWaalsContact O-N 3.13Å; K84-K88 WeakPolarHBondContact O-CB 3.16Å; K84-K88 PolarHBondContact O-N 3.01Å
85	L	92.9	Very high	89.1	Confident	30 Å²	30	98.4 Å²	98.4	16%	0.157	45%	0.453	C	S	.	.	H	α-helix	trans	-69.3	-47.1	177.5	-68.7	175	0	0	0	112.4	F19 L29 L81 Q82 R83 R87 K88 A89	F19-L85 HydrophobicContact CE1-CD1 3.8Å; L29-L85 HydrophobicContact CD1-CD1 4.04Å; L29-L85 HydrophobicContact CG-CD1 4.07Å; L81-L85 HydrophobicContact CD1-CD1 4.09Å; L81-L85 HydrophobicContact CD1-CG 4.01Å; L81-L85 HydrophobicContact CG-CD1 4.02Å; L81-L85 HydrophobicContact CG-CG 4.36Å; L81-L85 WeakPolarHBondContact O-CB 3.39Å; L81-L85 WeakPolarHBondContact O-CG 3.44Å; L81-L85 PolarHBondContact O-N 3.45Å; Q82-L85 PolarHBondContact O-N 3.39Å; R83-L85 PolarHBondContact O-N 2.73Å; L85-R87 VanDerWaalsContact C-N 3.3Å; L85-R87 PolarHBondContact O-N 3.45Å; L85-K88 PolarHBondContact O-N 2.96Å; L85-K88 VanDerWaalsContact O-N 3.12Å; L85-A89 WeakPolarHBondContact O-CB 3.41Å; L85-A89 PolarHBondContact O-N 2.79Å
86	A	90.4	Very high	87.7	Confident	52 Å²	52	103.9 Å²	103.9	43%	0.43	47%	0.472	S	S	.	.	H	α-helix	trans	-57.6	-43	175.8	0	0	0	0	0	111.8	Q82 R83 A89 L90	Q82-A86 WeakPolarHBondContact O-CB 3.47Å; Q82-A86 PolarHBondContact O-N 3.21Å; R83-A86 PolarHBondContact O-N 3.44Å; A86-A89 PolarHBondContact O-N 2.93Å; A86-L90 WeakPolarHBondContact O-CB 3.44Å; A86-L90 PolarHBondContact O-N 2.81Å
87	R	91.4	Very high	85.9	Confident	157 Å²	157	101.3 Å²	101.3	59%	0.592	47%	0.472	S	S	*	.	H	α-helix	trans	-61.7	-43.9	174.2	-168.3	170.7	73.7	145.1	3.6	112	R83 L85 L90 G91 C125	R83-R87 WeakPolarHBondContact O-CB 3.43Å; R83-R87 PolarHBondContact O-N 3.13Å; L85-R87 VanDerWaalsContact C-N 3.3Å; L85-R87 PolarHBondContact O-N 3.45Å; R87-L90 PolarHBondContact O-N 2.88Å; R87-G91 PolarHBondContact O-N 3.03Å; R87-C125 PolarHBondContact NH2-SG 3.34Å
88	K	91.3	Very high	83.6	Confident	135 Å²	135	101.8 Å²	101.8	59%	0.587	47%	0.467	S	S	*	.	H	α-helix	trans	-66.6	-37.7	178	-162.7	163	-173	165.6	0	112	K84 L85 R92	K84-K88 WeakPolarHBondContact O-CB 3.16Å; K84-K88 PolarHBondContact O-N 3.01Å; L85-K88 PolarHBondContact O-N 2.96Å; L85-K88 VanDerWaalsContact O-N 3.12Å; K88-R92 PolarHBondContact O-N 3.45Å; K88-R92 VanDerWaalsContact O-N 3.13Å
89	A	87.9	Confident	81.6	Confident	24 Å²	24	104.3 Å²	104.3	20%	0.198	48%	0.484	C	S	.	.	H	α-helix	trans	-65.7	-48.2	174.4	0	0	0	0	0	112.1	A26 V28 L85 A86 G91 R92 M93	A26-A89 HydrophobicContact CB-CB 3.87Å; V28-A89 HydrophobicContact CG1-CB 3.84Å; L85-A89 WeakPolarHBondContact O-CB 3.41Å; L85-A89 PolarHBondContact O-N 2.79Å; A86-A89 PolarHBondContact O-N 2.93Å; A89-G91 VanDerWaalsContact C-N 3.31Å; A89-G91 PolarHBondContact O-N 3.02Å; A89-R92 PolarHBondContact O-N 2.74Å; A89-M93 PolarHBondContact O-N 2.95Å
90	L	84.1	Confident	79.7	Confident	84 Å²	84	109 Å²	109	44%	0.44	51%	0.507	S	S	.	.	H	α-helix	trans	-60.8	-39.3	176.5	-177.7	59.7	0	0	0	112	A86 R87 M93 K94	A86-L90 WeakPolarHBondContact O-CB 3.44Å; A86-L90 PolarHBondContact O-N 2.81Å; R87-L90 PolarHBondContact O-N 2.88Å; L90-M93 HydrophobicContact CD1-CE 3.73Å; L90-M93 PolarHBondContact O-N 2.86Å; L90-K94 PolarHBondContact O-N 2.89Å
91	G	83.6	Confident	77.6	Confident	35 Å²	35	112.1 Å²	112.1	36%	0.361	52%	0.515	S	S	.	.	H	α-helix	trans	-60.6	-46.4	173.9	0	0	0	0	0	113.3	R87 A89 M93 K94 R95	R87-G91 PolarHBondContact O-N 3.03Å; A89-G91 VanDerWaalsContact C-N 3.31Å; A89-G91 PolarHBondContact O-N 3.02Å; G91-M93 VanDerWaalsContact C-N 3.29Å; G91-M93 PolarHBondContact O-N 2.88Å; G91-K94 PolarHBondContact O-N 3.47Å; G91-R95 PolarHBondContact O-N 3.1Å
92	R	81.8	Confident	75.6	Confident	174 Å²	174	117.6 Å²	117.6	66%	0.657	53%	0.531	S	S	*	.	H	α-helix	trans	-60.3	-38.1	173.7	-73.2	-173.7	-176.5	-94.6	10.2	111.8	K88 A89 K96	K88-R92 PolarHBondContact O-N 3.45Å; K88-R92 VanDerWaalsContact O-N 3.13Å; A89-R92 PolarHBondContact O-N 2.74Å; R92-K96 PolarHBondContact O-N 2.81Å; R92-K96 VanDerWaalsContact O-N 3.14Å
93	M	74.5	Confident	73.4	Confident	128 Å²	128	126.6 Å²	126.6	63%	0.631	56%	0.564	S	S	*	*	H	α-helix	trans	-67.6	-47.6	177.2	-174.5	162.4	63.6	0	0	112.3	A89 L90 G91 R95 K96 G97	A89-M93 PolarHBondContact O-N 2.95Å; L90-M93 HydrophobicContact CD1-CE 3.73Å; L90-M93 PolarHBondContact O-N 2.86Å; G91-M93 VanDerWaalsContact C-N 3.29Å; G91-M93 PolarHBondContact O-N 2.88Å; M93-R95 PolarHBondContact O-N 2.79Å; M93-K96 PolarHBondContact O-N 3.14Å; M93-G97 PolarHBondContact O-N 2.85Å
94	K	77.8	Confident	71.4	Confident	152 Å²	152	131.3 Å²	131.3	66%	0.661	58%	0.582	S	S	*	*	H	α-helix	trans	-58.4	-45.6	176.5	-74.3	-172.7	177	-173.1	0	111.9	L90 G91 K96 G97 W98	L90-K94 PolarHBondContact O-N 2.89Å; G91-K94 PolarHBondContact O-N 3.47Å; K94-K96 PolarHBondContact O-N 2.94Å; K94-G97 PolarHBondContact O-N 2.66Å; K94-W98 PolarHBondContact O-N 3.09Å; K94-W98 VanDerWaalsContact O-N 3.07Å
95	R	69.7	Low	69.2	Low	209 Å²	209	132.4 Å²	132.4	79%	0.789	59%	0.589	S	S	*	*	H	α-helix	trans	-60.2	-45.2	175.9	-77.6	-173.2	172	-176.5	-1.8	112.3	G91 M93 G97 W98 T99	G91-R95 PolarHBondContact O-N 3.1Å; M93-R95 PolarHBondContact O-N 2.79Å; R95-G97 VanDerWaalsContact C-N 3.31Å; R95-G97 PolarHBondContact O-N 2.73Å; R95-W98 PolarHBondContact O-N 2.94Å; R95-T99 PolarHBondContact O-N 3.28Å; R95-T99 PolarHBondContact O-OG1 3.42Å
96	K	65.1	Low	66.8	Low	164 Å²	164	136.1 Å²	136.1	71%	0.713	62%	0.617	S	S	*	*	H	α-helix	trans	-61.9	-34.9	175.6	-77	-175.8	176.1	-176.1	0	113	R92 M93 K94 K100	R92-K96 PolarHBondContact O-N 2.81Å; R92-K96 VanDerWaalsContact O-N 3.14Å; M93-K96 PolarHBondContact O-N 3.14Å; K94-K96 PolarHBondContact O-N 2.94Å; K96-K100 PolarHBondContact O-N 2.7Å
97	G	57.6	Low	64.7	Low	43 Å²	43	136.8 Å²	136.8	44%	0.443	63%	0.63	S	S	.	*	H	α-helix	trans	-65	-45.9	174.5	0	0	0	0	0	113.1	M93 K94 R95 T99 K100 R101	M93-G97 PolarHBondContact O-N 2.85Å; K94-G97 PolarHBondContact O-N 2.66Å; R95-G97 VanDerWaalsContact C-N 3.31Å; R95-G97 PolarHBondContact O-N 2.73Å; G97-T99 PolarHBondContact O-N 3.21Å; G97-K100 PolarHBondContact O-N 3.27Å; G97-R101 PolarHBondContact O-N 2.81Å; G97-R101 VanDerWaalsContact O-N 3.13Å
98	W	46.2	Very low	62	Low	159 Å²	159	136.9 Å²	136.9	60%	0.602	64%	0.642	S	S	*	*	H	α-helix	trans	-59.6	-45.1	-179.9	-168.7	-94.9	0	0	0	112.8	K94 R95 K100 R101 R102	K94-W98 PolarHBondContact O-N 3.09Å; K94-W98 VanDerWaalsContact O-N 3.07Å; R95-W98 PolarHBondContact O-N 2.94Å; W98-K100 VanDerWaalsContact C-N 3.31Å; W98-K100 PolarHBondContact O-N 3.42Å; W98-R101 WeakPolarHBondContact O-CB 3.16Å; W98-R101 PolarHBondContact O-N 3.14Å; W98-R102 PolarHBondContact O-N 2.82Å; W98-R102 VanDerWaalsContact O-N 3.09Å
99	T	54.4	Low	59.5	Low	87 Å²	87	140 Å²	140	53%	0.534	66%	0.655	S	S	.	*	H	α-helix	trans	-62.9	-35	177.9	-50.2	0	0	0	0	112.6	R95 G97 R101 R103	R95-T99 PolarHBondContact O-N 3.28Å; R95-T99 PolarHBondContact O-OG1 3.42Å; G97-T99 PolarHBondContact O-N 3.21Å; T99-R101 VanDerWaalsContact C-N 3.34Å; T99-R103 PolarHBondContact O-N 2.88Å
100	K	53.6	Low	56.9	Low	167 Å²	167	144.5 Å²	144.5	73%	0.726	69%	0.686	S	S	*	*	H	α-helix	trans	-68.1	-30.6	171.8	-91.5	-173.4	173.5	-178.3	0	113	K96 G97 W98	K96-K100 PolarHBondContact O-N 2.7Å; G97-K100 PolarHBondContact O-N 3.27Å; W98-K100 VanDerWaalsContact C-N 3.31Å; W98-K100 PolarHBondContact O-N 3.42Å
101	R	51.1	Low	54.7	Low	185 Å²	185	145.5 Å²	145.5	70%	0.698	70%	0.7	S	S	*	*	H	α-helix	trans	-70.4	-49.1	177.3	-143.8	176.1	-165	174.1	4.7	111.2	G97 W98 T99 R103 R104	G97-R101 PolarHBondContact O-N 2.81Å; G97-R101 VanDerWaalsContact O-N 3.13Å; W98-R101 WeakPolarHBondContact O-CB 3.16Å; W98-R101 PolarHBondContact O-N 3.14Å; T99-R101 VanDerWaalsContact C-N 3.34Å; R101-R103 VanDerWaalsContact C-N 3.34Å; R101-R103 PolarHBondContact O-N 3.14Å; R101-R104 PolarHBondContact O-N 2.64Å
102	R	51.1	Low	52.4	Low	177 Å²	177	151.2 Å²	151.2	67%	0.668	72%	0.721	S	S	*	*	H	α-helix	trans	-58.3	-39.7	176.6	-81.4	-171.7	169.3	-176.1	-4	113.2	W98 R104 Q105	W98-R102 PolarHBondContact O-N 2.82Å; W98-R102 VanDerWaalsContact O-N 3.09Å; R102-R104 PolarHBondContact O-N 3.19Å; R102-R104 VanDerWaalsContact O-N 3.08Å; R102-Q105 PolarHBondContact O-N 2.94Å
103	R	49.4	Very low	50.1	Low	219 Å²	219	151.5 Å²	151.5	83%	0.826	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.6	-7.3	175.7	-80.7	-166.7	176.4	-165	-0.3	115.2	T99 R101	T99-R103 PolarHBondContact O-N 2.88Å; R101-R103 VanDerWaalsContact C-N 3.34Å; R101-R103 PolarHBondContact O-N 3.14Å
104	R	51.3	Low	48	Very low	232 Å²	232	151.8 Å²	151.8	88%	0.875	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.2	-1.7	175.6	-77.1	-175.5	165.2	-171.5	-6.8	114.8	R101 R102	R101-R104 PolarHBondContact O-N 2.64Å; R102-R104 PolarHBondContact O-N 3.19Å; R102-R104 VanDerWaalsContact O-N 3.08Å
105	Q	47.7	Very low	45.9	Very low	167 Å²	167	151.5 Å²	151.5	78%	0.78	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.7	-5.1	178.5	-75.7	179.8	-48.7	0	0	114.3	R102 G107	R102-Q105 PolarHBondContact O-N 2.94Å; Q105-G107 PolarHBondContact O-N 3.37Å
106	S	43.4	Very low	44.6	Very low	108 Å²	108	147.5 Å²	147.5	76%	0.755	74%	0.743	S	S	*	*			trans	-79.2	63.4	176	-174.7	0	0	0	0	111.8
107	G	44.9	Very low	43.4	Very low	67 Å²	67	146.7 Å²	146.7	69%	0.691	74%	0.739	S	S	*	*			trans	-107.9	20.9	-174	0	0	0	0	0	115.5	Q105	Q105-G107 PolarHBondContact O-N 3.37Å
108	N	35.1	Very low	42.1	Very low	158 Å²	158	153.3 Å²	153.3	85%	0.845	76%	0.759	S	S	*	*	S	Bend	trans	-152	164.4	168.6	-114.3	-21.2	0	0	0	111.9
109	K	40	Very low	41.5	Very low	200 Å²	200	152.6 Å²	152.6	87%	0.87	76%	0.762	S	S	*	*			trans	-96.5	138.3	-161.4	-52.6	168.1	-179.9	171.2	0	113.1
110	S	33.4	Very low	40.5	Very low	120 Å²	120	156.4 Å²	156.4	84%	0.839	78%	0.779	S	S	*	*				177.3	154.5	116.2	54.7	0	0	0	0	115.1
111	S	36.5	Very low	39.4	Very low	105 Å²	105	154 Å²	154	73%	0.734	78%	0.783	S	S	*	*			trans	-30.6	132.6	170.6	-41.2	0	0	0	0	119.7
112	L	35.3	Very low	38.7	Very low	155 Å²	155	152.2 Å²	152.2	81%	0.812	79%	0.787	S	S	*	*				166.3	151.9	105.4	-87.4	169.8	0	0	0	115.1
113	K	33.7	Very low	37.7	Very low	179 Å²	179	151 Å²	151	78%	0.778	79%	0.794	S	S	*	*			trans	48.3	109.1	152.2	-70.9	-179.4	177.2	-177.5	0	122.7
114	T	31.2	Very low	37	Very low	134 Å²	134	144.9 Å²	144.9	82%	0.822	79%	0.79	S	S	*	*				62	135	118	-28.6	0	0	0	0	123.1
115	L	34.1	Very low	36.1	Very low	146 Å²	146	137.7 Å²	137.7	76%	0.764	77%	0.774	S	S	*	*			trans	-49.9	162.1	160.4	-92.4	165.8	0	0	0	114.5
116	P	42.3	Very low	35.1	Very low	126 Å²	126	137.9 Å²	137.9	82%	0.818	78%	0.78	S	S	*	*				-132.8	-164.7	55.2	42.1	-25.5	0	0	0	117.4
117	K	38.2	Very low	34.8	Very low	146 Å²	146	139.7 Å²	139.7	64%	0.635	78%	0.78	S	S	*	*			trans	-119.4	129.9	-164.5	157.6	-176	172.1	-79.4	0	108.1	E119	K117-E119 VanDerWaalsContact CE-OE1 3.28Å; K117-E119 WeakPolarHBondContact CE-OE1 3.38Å; K117-E119 IonicContact NZ-OE1 2.67Å; K117-E119 PolarHBondContact NZ-OE1 3.46Å
118	E	32.2	Very low	34.1	Very low	183 Å²	183	142.3 Å²	142.3	86%	0.855	79%	0.787	S	S	*	*			trans	-120.8	158.8	170.8	-77.6	-61	155.5	0	0	109.8
119	E	32.2	Very low	34	Very low	144 Å²	144	141.2 Å²	141.2	67%	0.673	79%	0.787	S	S	*	*			trans	-124.9	154.1	-168.6	-59.5	-166.2	141.6	0	0	114	K117	K117-E119 VanDerWaalsContact CE-OE1 3.28Å; K117-E119 WeakPolarHBondContact CE-OE1 3.38Å; K117-E119 IonicContact NZ-OE1 2.67Å; K117-E119 PolarHBondContact NZ-OE1 3.46Å
120	D	32.9	Very low	33.6	Very low	166 Å²	166	136.8 Å²	136.8	89%	0.888	78%	0.781	S	S	*	*			trans	69.3	-179.3	155.7	-150.2	19.1	0	0	0	120.2
121	S	30.6	Very low	33.4	Very low	116 Å²	116	138.3 Å²	138.3	81%	0.811	78%	0.78	S	S	*	*			trans	84.8	136.8	-178.7	-142.6	0	0	0	0	116.8
122	D	36.6	Very low	33.4	Very low	148 Å²	148	138 Å²	138	79%	0.791	78%	0.778	S	S	*	*			trans	-128.7	175.4	-165.5	-138.9	-25	0	0	0	110.9
123	D	31.3	Very low	33.4	Very low	153 Å²	153	136.5 Å²	136.5	82%	0.818	78%	0.78	S	S	*	*			trans	73.1	-178.4	169.8	-127.8	-50.5	0	0	0	119.3
124	A	33.6	Very low	33.4	Very low	90 Å²	90	137.2 Å²	137.2	74%	0.744	79%	0.786	S	S	*	*			trans	60.7	107.6	-169.2	0	0	0	0	0	116
125	C	32.3	Very low	33.4	Very low	80 Å²	80	134.1 Å²	134.1	54%	0.541	78%	0.781	S	S	.	*			trans	-79.8	155.6	153.3	-62.5	0	0	0	0	109.1	R87	R87-C125 PolarHBondContact NH2-SG 3.34Å
126	L	27.8	Very low	33.2	Very low	171 Å²	171	135.2 Å²	135.2	90%	0.895	79%	0.788	S	S	*	*				-160.2	161.8	115.8	-105.5	170.8	0	0	0	111.4
127	I	35.7	Very low	32.7	Very low	147 Å²	147	135.8 Å²	135.8	75%	0.754	78%	0.784	S	S	*	*			trans	-112	129.9	164.4	-67.1	171.2	0	0	0	105.3
128	S	30.6	Very low	32.4	Very low	121 Å²	121	133.6 Å²	133.6	85%	0.846	79%	0.787	S	S	*	*			trans	-143.5	123	146.5	-80	0	0	0	0	109
129	T	34.4	Very low	32.5	Very low	135 Å²	135	133 Å²	133	83%	0.828	78%	0.784	S	S	*	*			trans	-74.6	138	148.7	40.7	0	0	0	0	107.8
130	S	31.5	Very low	33.1	Very low	108 Å²	108	131.7 Å²	131.7	76%	0.755	79%	0.788	S	S	*	*			trans	-76.9	128.5	174.3	50.2	0	0	0	0	111.8
131	D	29.4	Very low	32.8	Very low	151 Å²	151	130.3 Å²	130.3	81%	0.807	78%	0.781	S	S	*	*				-160.6	114.1	120.5	-118.1	-1.1	0	0	0	107.2
132	S	34.5	Very low	32.8	Very low	99 Å²	99	129.1 Å²	129.1	69%	0.692	77%	0.772	S	S	*	*				86.1	90.5	68.3	-60	0	0	0	0	113.5
133	S	35.8	Very low	32.4	Very low	123 Å²	123	127.1 Å²	127.1	86%	0.86	77%	0.77	S	S	*	*				-165.2	149.1	127	55.4	0	0	0	0	111.4
134	E	33.4	Very low	32.2	Very low	195 Å²	195	127 Å²	127	91%	0.911	77%	0.769	S	S	*	*			trans	-70.9	164.9	173.5	-60.9	143.5	176.7	0	0	110.8
135	G	31.9	Very low	32	Very low	69 Å²	69	128.5 Å²	128.5	71%	0.711	77%	0.774	S	S	*	*			cis	167.1	169	-1.8	0	0	0	0	0	110.6
136	D	29.3	Very low	31.7	Very low	169 Å²	169	128.2 Å²	128.2	90%	0.904	79%	0.785	S	S	*	*			trans	60.4	167.4	176	-103.8	31.7	0	0	0	117.8
137	D	32.7	Very low	31.5	Very low	138 Å²	138	127.2 Å²	127.2	74%	0.738	78%	0.78	S	S	*	*				-151.8	173	-66	-175.8	36.2	0	0	0	108.5
138	S	32.1	Very low	31.1	Very low	100 Å²	100	124 Å²	124	70%	0.699	77%	0.771	S	S	*	*			trans	77.2	112.3	168.8	-62.4	0	0	0	0	119.6
139	E	33.2	Very low	31	Very low	171 Å²	171	124.3 Å²	124.3	80%	0.799	77%	0.768	S	S	*	*			trans	-65.8	167.7	144.4	-73.3	-80.9	163.9	0	0	110
140	P	45	Very low	30.5	Very low	115 Å²	115	126.1 Å²	126.1	75%	0.747	77%	0.765	S	S	*	*			cis	-150.7	176.4	27	46.7	-27.2	0	0	0	119.7
141	D	27.9	Very low	30.4	Very low	138 Å²	138	125 Å²	125	74%	0.738	76%	0.756	S	S	*	*			trans	82.4	142.9	139.4	-141.5	0.2	0	0	0	123.7
142	S	29.3	Very low	30.5	Very low	90 Å²	90	125.3 Å²	125.3	63%	0.629	75%	0.753	S	S	*	*			trans	69.1	103.1	149.7	69.7	0	0	0	0	123.3
143	S	28.7	Very low	30.3	Very low	107 Å²	107	126.4 Å²	126.4	75%	0.748	75%	0.751	S	S	*	*				61.7	120.6	117.5	-57	0	0	0	0	124.6
144	N	28	Very low	30.4	Very low	149 Å²	149	127 Å²	127	80%	0.797	75%	0.75	S	S	*	*			trans	78.9	145.3	135.6	-75.9	-14.6	0	0	0	123.6
145	S	28.3	Very low	30.2	Very low	122 Å²	122	123.6 Å²	123.6	85%	0.853	74%	0.738	S	S	*	*			trans	68.3	148.9	169.9	2.4	0	0	0	0	114.9
146	G	26.3	Very low	30.2	Very low	74 Å²	74	129.7 Å²	129.7	76%	0.763	74%	0.744	S	S	*	*			cis	93	124.9	28.8	0	0	0	0	0	108.4
147	D	23.8	Very low	30.1	Very low	150 Å²	150	129.1 Å²	129.1	80%	0.802	74%	0.738	S	S	*	*			cis	-154.8	-164.3	22	-179.2	34.8	0	0	0	111.2
148	S	27.8	Very low	30.1	Very low	79 Å²	79	134 Å²	134	55%	0.552	75%	0.746	S	S	*	*			trans	-23.1	161.2	157	75.1	0	0	0	0	118.7
149	T	26.7	Very low	30.1	Very low	128 Å²	128	135 Å²	135	79%	0.785	75%	0.748	S	S	*	*			cis	-168.1	179.5	2.5	6.5	0	0	0	0	111
150	F	24	Very low	30	Very low	174 Å²	174	134.5 Å²	134.5	76%	0.763	75%	0.745	S	S	*	*			trans	78.5	111.8	155.5	-134.1	-118	0	0	0	116.2
151	S	30.1	Very low	29.5	Very low	83 Å²	83	134.6 Å²	134.6	58%	0.58	75%	0.746	S	S	*	*				80.2	147.5	84.6	-65.8	0	0	0	0	114
152	E	32.4	Very low	29.4	Very low	159 Å²	159	135.5 Å²	135.5	74%	0.743	75%	0.746	S	S	*	*			cis	-157.8	164.8	3	-109.1	154.8	134.8	0	0	107.7
153	D	29.4	Very low	29.9	Very low	121 Å²	121	137.4 Å²	137.4	65%	0.647	75%	0.753	S	S	*	*			cis	-122.1	-94	-6	165.7	27	0	0	0	109.7	N155	D153-N155 VanDerWaalsContact CG-N 3.28Å; D153-N155 PolarHBondContact OD1-N 2.78Å; D153-N155 WeakPolarHBondContact OD2-CB 3.23Å; D153-N155 PolarHBondContact OD2-N 3.38Å
154	V	38.3	Very low	29.8	Very low	137 Å²	137	138.9 Å²	138.9	83%	0.83	75%	0.753	S	S	*	*			cis	-125.4	116.2	-7	177.4	0	0	0	0	108.8
155	N	29.2	Very low	30.3	Very low	123 Å²	123	137.1 Å²	137.1	66%	0.658	75%	0.747	S	S	*	*			trans	-72.8	124	-163.8	-178.3	-3.6	0	0	0	115.5	D153 M157	D153-N155 VanDerWaalsContact CG-N 3.28Å; D153-N155 PolarHBondContact OD1-N 2.78Å; D153-N155 WeakPolarHBondContact OD2-CB 3.23Å; D153-N155 PolarHBondContact OD2-N 3.38Å; N155-M157 PolarHBondContact OD1-N 2.74Å
156	K	32	Very low	30.6	Very low	197 Å²	197	138.3 Å²	138.3	86%	0.857	74%	0.737	S	S	*	*			trans	-145.1	80.7	148	-163.4	166.8	-173.9	170.4	0	113.6	R158	K156-R158 PolarHBondContact O-N 3.3Å
157	M	26.7	Very low	31.3	Very low	157 Å²	157	144.3 Å²	144.3	77%	0.773	74%	0.737	S	S	*	*			trans	-45.1	126.1	173.9	-175.7	170.9	82.2	0	0	114.6	N155	N155-M157 PolarHBondContact OD1-N 2.74Å
158	R	32.8	Very low	32	Very low	240 Å²	240	143.7 Å²	143.7	91%	0.906	73%	0.729	S	S	*	*			trans	-152.3	71	160.8	-149.1	174.6	-162.3	174	4.9	114	K156	K156-R158 PolarHBondContact O-N 3.3Å
159	V	32.1	Very low	32.4	Very low	122 Å²	122	144.8 Å²	144.8	74%	0.739	74%	0.736	S	S	*	*			trans	32.3	113.7	144.9	-178.2	0	0	0	0	117.4
160	E	30.5	Very low	33.2	Very low	159 Å²	159	146.6 Å²	146.6	74%	0.743	74%	0.735	S	S	*	*			trans	-61.3	170.8	165.6	-62.9	-161.1	151.7	0	0	112.9
161	P	34.8	Very low	34.7	Very low	117 Å²	117	144 Å²	144	76%	0.76	73%	0.725	S	S	*	*				-132.8	127.4	103.2	35.9	-28.5	0	0	0	115.2
162	E	27.1	Very low	36	Very low	158 Å²	158	148.4 Å²	148.4	74%	0.738	73%	0.734	S	S	*	*			trans	41.7	105.9	132.9	-60.6	-171	128.9	0	0	119	N164	E162-N164 PolarHBondContact O-N 3.05Å
163	V	37.9	Very low	37.5	Very low	129 Å²	129	145.8 Å²	145.8	78%	0.782	73%	0.729	S	S	*	*				20.1	89.3	126.2	-170.9	0	0	0	0	116.1	V165	V163-V165 HydrophobicContact CG1-CG2 3.69Å
164	N	27.3	Very low	39.9	Very low	139 Å²	139	143.2 Å²	143.2	74%	0.743	72%	0.717	S	S	*	*			trans	-101.8	102.7	156.5	-168.6	-10.4	0	0	0	109.5	E162 K166	E162-N164 PolarHBondContact O-N 3.05Å; N164-K166 PolarHBondContact O-N 3.24Å
165	V	39.4	Very low	41.8	Very low	111 Å²	111	144.6 Å²	144.6	67%	0.673	71%	0.714	S	S	*	*			trans	-75	63	174.2	-169.4	0	0	0	0	109.7	V163 R167	V163-V165 HydrophobicContact CG1-CG2 3.69Å; V165-R167 PolarHBondContact O-N 2.87Å
166	K	33.1	Very low	44.7	Very low	147 Å²	147	139.3 Å²	139.3	64%	0.639	69%	0.686	S	S	*	*			trans	-76.1	73.1	171.1	-150.1	-169.4	-172.7	-160.3	0	108.9	N164 E168	N164-K166 PolarHBondContact O-N 3.24Å; K166-E168 HydrophobicContact CD-CG 4.05Å; K166-E168 WeakPolarHBondContact CE-OE1 3.04Å; K166-E168 HydrophobicContact CG-CG 4.02Å; K166-E168 IonicContact NZ-OE1 2.77Å; K166-E168 PolarHBondContact NZ-OE1 2.86Å; K166-E168 PolarHBondContact O-N 3.16Å
167	R	42.7	Very low	47.5	Very low	201 Å²	201	135.3 Å²	135.3	76%	0.758	67%	0.674	S	S	*	*			trans	-66	81.5	165.1	-176.2	-171.6	-66	149.6	1.7	107.6	V165 C169	V165-R167 PolarHBondContact O-N 2.87Å; R167-C169 PolarHBondContact O-N 2.84Å
168	E	36.6	Very low	50.7	Low	137 Å²	137	128.3 Å²	128.3	64%	0.64	64%	0.64	S	S	*	*			trans	-67	87.3	162.8	-65.7	-167.2	154.6	0	0	107.1	K166 E170	K166-E168 HydrophobicContact CD-CG 4.05Å; K166-E168 WeakPolarHBondContact CE-OE1 3.04Å; K166-E168 HydrophobicContact CG-CG 4.02Å; K166-E168 IonicContact NZ-OE1 2.77Å; K166-E168 PolarHBondContact NZ-OE1 2.86Å; K166-E168 PolarHBondContact O-N 3.16Å; E168-E170 VanDerWaalsContact C-N 3.3Å; E168-E170 PolarHBondContact O-N 3.4Å
169	C	38.1	Very low	53.7	Low	102 Å²	102	120.7 Å²	120.7	69%	0.689	62%	0.624	S	S	*	*			trans	-56.4	103.9	154.7	-71.3	0	0	0	0	106.2	R167 E171	R167-C169 PolarHBondContact O-N 2.84Å; C169-E171 PolarHBondContact O-N 2.88Å
170	E	42.3	Very low	56.8	Low	166 Å²	166	115.9 Å²	115.9	78%	0.776	59%	0.593	S	S	*	*			trans	-55.6	96.6	160.3	-69.7	-172.4	132.2	0	0	107.2	E168 K172	E168-E170 VanDerWaalsContact C-N 3.3Å; E168-E170 PolarHBondContact O-N 3.4Å; E170-K172 PolarHBondContact O-N 2.92Å
171	E	56.5	Low	60.1	Low	119 Å²	119	110 Å²	110	56%	0.556	57%	0.569	S	S	*	*			trans	-60.4	105.4	169.9	-175.5	177.4	-169.9	0	0	105.7	C169 V173	C169-E171 PolarHBondContact O-N 2.88Å; E171-V173 HydrophobicContact CG-CG2 4.47Å; E171-V173 WeakPolarHBondContact O-CG2 3.49Å; E171-V173 PolarHBondContact O-N 3.03Å
172	K	57.3	Low	63.1	Low	176 Å²	176	109.8 Å²	109.8	77%	0.765	56%	0.561	S	S	*	*			trans	-73.2	75.6	-178.9	-74.1	177	179.7	172.7	0	108.7	E170 V174	E170-K172 PolarHBondContact O-N 2.92Å; K172-V174 PolarHBondContact O-N 3.3Å
173	V	63.6	Low	66.4	Low	104 Å²	104	105.5 Å²	105.5	63%	0.63	55%	0.546	S	S	*	.			trans	-51.6	107.5	-177.8	-178.9	0	0	0	0	108.3	E171 H175	E171-V173 HydrophobicContact CG-CG2 4.47Å; E171-V173 WeakPolarHBondContact O-CG2 3.49Å; E171-V173 PolarHBondContact O-N 3.03Å; V173-H175 PolarHBondContact O-N 2.77Å; V173-H175 VanDerWaalsContact O-N 3.14Å
174	V	78.7	Confident	69.3	Low	67 Å²	67	99.3 Å²	99.3	41%	0.406	51%	0.508	S	S	.	.			trans	-74.7	109.7	178.1	178.5	0	0	0	0	106.4	K172 V176 G495 L504	K172-V174 PolarHBondContact O-N 3.3Å; V174-V176 HydrophobicContact CG1-CG2 4.42Å; V174-V176 PolarHBondContact O-N 2.93Å; V174-G495 PolarHBondContact N-O 3.11Å; V174-G495 WeakPolarHBondContact O-CA 3.49Å; V174-L504 HydrophobicContact CG1-CD2 3.92Å
175	H	79.5	Confident	72.7	Confident	166 Å²	166	96.8 Å²	96.8	77%	0.769	49%	0.491	S	S	*	.			trans	-67.3	96.8	176.5	-173.6	-64.8	0	0	0	109.9	V173	V173-H175 PolarHBondContact O-N 2.77Å; V173-H175 VanDerWaalsContact O-N 3.14Å
176	V	89.9	Confident	75.5	Confident	11 Å²	11	97.7 Å²	97.7	7%	0.067	49%	0.486	C	S	.	.			trans	-81.5	138	171.4	-178.2	0	0	0	0	108.9	V174 I178 P491 L494 L504 I508	V174-V176 HydrophobicContact CG1-CG2 4.42Å; V174-V176 PolarHBondContact O-N 2.93Å; V176-I178 HydrophobicContact CG1-CD1 4.38Å; V176-I178 HydrophobicContact CG1-CG1 4.11Å; V176-P491 HydrophobicContact CB-CB 4.14Å; V176-P491 HydrophobicContact CG1-CB 4.23Å; V176-L494 HydrophobicContact CG1-CB 4.26Å; V176-L494 HydrophobicContact CG1-CD1 4.35Å; V176-L494 HydrophobicContact CG2-CB 3.91Å; V176-L504 HydrophobicContact CG2-CD1 4.21Å; V176-L504 HydrophobicContact CG2-CD2 4.15Å; V176-I508 HydrophobicContact CG1-CD1 4.09Å; V176-I508 HydrophobicContact CG1-CG1 4.37Å
177	D	90.6	Very high	78.6	Confident	114 Å²	114	92.3 Å²	92.3	61%	0.61	46%	0.462	S	S	*	.			trans	-123	137.9	170.8	-177.2	16.6	0	0	0	108.7
178	I	94.6	Very high	81.2	Confident	10 Å²	10	84 Å²	84	5%	0.051	43%	0.433	C	S	.	.			trans	-138.3	107.6	178.1	-59.8	178.6	0	0	0	107.2	V176 I180 L490 P491 L494 L511 L515	V176-I178 HydrophobicContact CG1-CD1 4.38Å; V176-I178 HydrophobicContact CG1-CG1 4.11Å; I178-I180 PolarHBondContact O-N 3.38Å; I178-L490 HydrophobicContact CD1-CB 4.28Å; I178-L490 HydrophobicContact CD1-CD2 4.17Å; I178-L490 HydrophobicContact CD1-CG 4.18Å; I178-P491 HydrophobicContact CB-CG 4.24Å; I178-P491 HydrophobicContact CD1-CG 4.03Å; I178-P491 HydrophobicContact CG1-CG 4.12Å; I178-L494 HydrophobicContact CD1-CD1 4.16Å; I178-L511 HydrophobicContact CD1-CD1 4Å; I178-L515 HydrophobicContact CG2-CD1 3.64Å
179	S	95.8	Very high	84.2	Confident	80 Å²	80	83.9 Å²	83.9	56%	0.559	43%	0.432	S	S	*	.			trans	-73.7	101.3	-178.3	-172.1	0	0	0	0	111.5
180	I	97.6	Very high	87	Confident	21 Å²	21	81.4 Å²	81.4	11%	0.108	41%	0.412	C	S	.	.			trans	-74.1	125.5	171	-58.5	178.5	0	0	0	108.9	I178 L184 K185 L188 F487 V488 L515	I178-I180 PolarHBondContact O-N 3.38Å; I180-L184 HydrophobicContact CG2-CB 3.9Å; I180-K185 HydrophobicContact CB-CG 4.41Å; I180-K185 HydrophobicContact CG2-CG 4.07Å; I180-K185 WeakPolarHBondContact O-CE 3.49Å; I180-K185 PolarHBondContact O-NZ 3.47Å; I180-L188 HydrophobicContact CD1-CD1 4.42Å; I180-F487 HydrophobicContact CD1-CB 4.23Å; I180-V488 HydrophobicContact CD1-CG2 4.08Å; I180-L515 HydrophobicContact CG1-CD1 4.26Å
181	P	98.3	Very high	89.7	Confident	34 Å²	34	73.6 Å²	73.6	22%	0.221	38%	0.376	C	S	.	.			trans	-58.4	143	174.4	-25.9	34.8	0	0	0	113.1	V183 L184 K185 L515 A519	P181-V183 VanDerWaalsContact C-N 3.25Å; P181-V183 PolarHBondContact O-N 2.98Å; P181-L184 HydrophobicContact CG-CD1 4.45Å; P181-L184 WeakPolarHBondContact O-CA 3.46Å; P181-L184 WeakPolarHBondContact O-CB 3.42Å; P181-L184 PolarHBondContact O-N 3.4Å; P181-K185 PolarHBondContact O-N 2.69Å; P181-L515 HydrophobicContact CG-CB 4.36Å; P181-A519 HydrophobicContact CB-CB 3.95Å; P181-A519 HydrophobicContact CG-CB 4.06Å
182	D	97.9	Very high	91.6	Very high	114 Å²	114	70.3 Å²	70.3	61%	0.61	37%	0.365	S	S	*	.	H	α-helix	trans	-63.2	-29.6	-173.1	-56	-51.4	0	0	0	113.7	L184 K185 K186	D182-L184 PolarHBondContact O-N 3.22Å; D182-K185 PolarHBondContact O-N 3.18Å; D182-K185 WeakPolarHBondContact OD1-CD 3.3Å; D182-K185 IonicContact OD1-NZ 2.73Å; D182-K185 PolarHBondContact OD1-NZ 3.11Å; D182-K186 PolarHBondContact O-N 3.46Å
183	V	97.8	Very high	93.5	Very high	67 Å²	67	66.4 Å²	66.4	41%	0.406	35%	0.348	S	S	.	.	H	α-helix	trans	-56.9	-40	170.5	179.6	0	0	0	0	111.2	P181 K187 H522	P181-V183 VanDerWaalsContact C-N 3.25Å; P181-V183 PolarHBondContact O-N 2.98Å; V183-K187 WeakPolarHBondContact O-CG 3.49Å; V183-K187 PolarHBondContact O-N 3.34Å; V183-H522 HydrophobicContact CG1-CB 4.1Å
184	L	98.4	Very high	95.1	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-82.2	-29.8	179	-62.2	-176	0	0	0	112.5	I180 P181 D182 K186 K187 L188 L484 L515 L518 A519 H522 F526	I180-L184 HydrophobicContact CG2-CB 3.9Å; P181-L184 HydrophobicContact CG-CD1 4.45Å; P181-L184 WeakPolarHBondContact O-CA 3.46Å; P181-L184 WeakPolarHBondContact O-CB 3.42Å; P181-L184 PolarHBondContact O-N 3.4Å; D182-L184 PolarHBondContact O-N 3.22Å; L184-K186 VanDerWaalsContact C-N 3.32Å; L184-K186 PolarHBondContact O-N 3.37Å; L184-K187 PolarHBondContact O-N 2.72Å; L184-L188 PolarHBondContact O-N 3.13Å; L184-L484 HydrophobicContact CB-CD1 4.07Å; L184-L484 HydrophobicContact CB-CD2 3.99Å; L184-L484 HydrophobicContact CD1-CD1 3.99Å; L184-L484 HydrophobicContact CD2-CD2 4.22Å; L184-L484 HydrophobicContact CG-CD1 4.5Å; L184-L515 HydrophobicContact CD1-CD2 3.97Å; L184-L515 WeakPolarHBondContact CD1-O 3.4Å; L184-L518 HydrophobicContact CD1-CB 3.8Å; L184-L518 HydrophobicContact CD2-CB 4.44Å; L184-A519 HydrophobicContact CD1-CB 4.04Å; L184-A519 HydrophobicContact CD2-CB 4.48Å; L184-A519 HydrophobicContact CG-CB 3.98Å; L184-H522 HydrophobicContact CD2-CB 4.3Å; L184-F526 HydrophobicContact CD2-CD2 4.41Å; L184-F526 HydrophobicContact CD2-CE2 3.81Å; L184-F526 HydrophobicContact CD2-CZ 4.32Å
185	K	98.4	Very high	95.9	Very high	86 Å²	86	59.4 Å²	59.4	37%	0.374	30%	0.303	S	S	.	.	H	α-helix	trans	-57.7	-46.5	167.4	-64.8	-179.8	-173.5	145.1	0	110.7	I180 P181 D182 K187 L188 E189	I180-K185 HydrophobicContact CB-CG 4.41Å; I180-K185 HydrophobicContact CG2-CG 4.07Å; I180-K185 WeakPolarHBondContact O-CE 3.49Å; I180-K185 PolarHBondContact O-NZ 3.47Å; P181-K185 PolarHBondContact O-N 2.69Å; D182-K185 PolarHBondContact O-N 3.18Å; D182-K185 WeakPolarHBondContact OD1-CD 3.3Å; D182-K185 IonicContact OD1-NZ 2.73Å; D182-K185 PolarHBondContact OD1-NZ 3.11Å; K185-K187 PolarHBondContact O-N 3.4Å; K185-L188 WeakPolarHBondContact O-CB 3.29Å; K185-L188 PolarHBondContact O-N 3.33Å; K185-L188 VanDerWaalsContact O-N 3.09Å; K185-E189 WeakPolarHBondContact O-CG 3.49Å; K185-E189 PolarHBondContact O-N 3.19Å
186	K	98	Very high	96.7	Very high	130 Å²	130	53.5 Å²	53.5	57%	0.565	28%	0.278	S	S	*	.	H	α-helix	trans	-59	-44.3	174.7	-172.5	-175.5	173.3	-173	0	112.2	D182 L184 L188 E189 D190	D182-K186 PolarHBondContact O-N 3.46Å; L184-K186 VanDerWaalsContact C-N 3.32Å; L184-K186 PolarHBondContact O-N 3.37Å; K186-L188 VanDerWaalsContact C-N 3.26Å; K186-L188 PolarHBondContact O-N 3.27Å; K186-E189 WeakPolarHBondContact O-CB 3.42Å; K186-E189 PolarHBondContact O-N 2.94Å; K186-E189 VanDerWaalsContact O-N 3.16Å; K186-D190 WeakPolarHBondContact O-CB 3.36Å; K186-D190 PolarHBondContact O-N 3.49Å
187	K	98	Very high	96.9	Very high	34 Å²	34	60.7 Å²	60.7	15%	0.148	31%	0.308	C	S	.	.	H	α-helix	trans	-62.5	-29.6	176.1	-66	-70.5	-168	169.7	0	112.8	V183 L184 K185 D191 L484 E523 F526	V183-K187 WeakPolarHBondContact O-CG 3.49Å; V183-K187 PolarHBondContact O-N 3.34Å; L184-K187 PolarHBondContact O-N 2.72Å; K185-K187 PolarHBondContact O-N 3.4Å; K187-D191 WeakPolarHBondContact O-CB 3.1Å; K187-D191 PolarHBondContact O-N 2.87Å; K187-L484 HydrophobicContact CB-CD2 4.31Å; K187-E523 WeakPolarHBondContact CE-OE1 3.3Å; K187-E523 IonicContact NZ-OE1 2.69Å; K187-E523 PolarHBondContact NZ-OE1 2.61Å; K187-F526 HydrophobicContact CB-CD1 4.47Å; K187-F526 HydrophobicContact CB-CG 4.46Å; K187-F526 HydrophobicContact CD-CB 3.69Å; K187-F526 HydrophobicContact CD-CG 4.29Å; K187-F526 HydrophobicContact CG-CB 4.22Å; K187-F526 HydrophobicContact CG-CD2 4.49Å; K187-F526 HydrophobicContact CG-CG 4.28Å; K187-F526 PolarHBondContact NZ-O 3.26Å
188	L	98.4	Very high	97.1	Very high	26 Å²	26	61.4 Å²	61.4	14%	0.136	30%	0.302	C	S	.	.	H	α-helix	trans	-73.4	-38.6	171.8	-75.8	162.7	0	0	0	112.9	I180 L184 K185 K186 C192 L484 R485 V488	I180-L188 HydrophobicContact CD1-CD1 4.42Å; L184-L188 PolarHBondContact O-N 3.13Å; K185-L188 WeakPolarHBondContact O-CB 3.29Å; K185-L188 PolarHBondContact O-N 3.33Å; K185-L188 VanDerWaalsContact O-N 3.09Å; K186-L188 VanDerWaalsContact C-N 3.26Å; K186-L188 PolarHBondContact O-N 3.27Å; L188-C192 WeakPolarHBondContact O-CB 3.39Å; L188-C192 PolarHBondContact O-N 2.82Å; L188-L484 HydrophobicContact CD1-CD2 4.33Å; L188-L484 HydrophobicContact CD1-CG 4.06Å; L188-L484 HydrophobicContact CD2-CB 4.46Å; L188-L484 HydrophobicContact CD2-CD2 4.25Å; L188-L484 HydrophobicContact CD2-CG 3.96Å; L188-L484 HydrophobicContact CG-CD2 3.81Å; L188-L484 HydrophobicContact CG-CG 3.86Å; L188-R485 HydrophobicContact CD2-CG 3.96Å; L188-V488 HydrophobicContact CD1-CG2 3.61Å; L188-V488 HydrophobicContact CD2-CG2 4.19Å
189	E	98.3	Very high	97	Very high	134 Å²	134	67.2 Å²	67.2	63%	0.626	33%	0.327	S	S	*	.	H	α-helix	trans	-62.9	-44.7	172.4	-69	165.8	-163.3	0	0	110.9	K185 K186 C192 F193	K185-E189 WeakPolarHBondContact O-CG 3.49Å; K185-E189 PolarHBondContact O-N 3.19Å; K186-E189 WeakPolarHBondContact O-CB 3.42Å; K186-E189 PolarHBondContact O-N 2.94Å; K186-E189 VanDerWaalsContact O-N 3.16Å; E189-C192 PolarHBondContact O-N 2.87Å; E189-F193 WeakPolarHBondContact O-CB 3.42Å; E189-F193 PolarHBondContact O-N 3.03Å
190	D	97.6	Very high	97	Very high	51 Å²	51	65.5 Å²	65.5	27%	0.273	31%	0.31	S	S	.	.	H	α-helix	trans	-59.7	-51.3	173.8	-77.7	-38.8	0	0	0	111.4	K186 C192 F193 Y194	K186-D190 WeakPolarHBondContact O-CB 3.36Å; K186-D190 PolarHBondContact O-N 3.49Å; D190-C192 PolarHBondContact O-N 2.97Å; D190-F193 WeakPolarHBondContact O-CB 3.37Å; D190-F193 PolarHBondContact O-N 3.19Å; D190-F193 VanDerWaalsContact O-N 3.13Å; D190-Y194 HydrophobicContact CB-CD2 4.32Å; D190-Y194 HydrophobicContact CB-CE2 4.09Å; D190-Y194 WeakPolarHBondContact O-CD2 3.34Å; D190-Y194 PolarHBondContact O-N 3.33Å
191	D	98.3	Very high	97	Very high	2 Å²	2	65 Å²	65	1%	0.011	31%	0.307	C	S	.	.	H	α-helix	trans	-53.4	-50.8	175.7	170.4	67.9	0	0	0	112	K187 F193 Y194 I195 R485 Y531	K187-D191 WeakPolarHBondContact O-CB 3.1Å; K187-D191 PolarHBondContact O-N 2.87Å; D191-F193 VanDerWaalsContact C-N 3.29Å; D191-F193 PolarHBondContact O-N 2.89Å; D191-Y194 PolarHBondContact O-N 3.36Å; D191-I195 PolarHBondContact O-N 2.95Å; D191-I195 VanDerWaalsContact O-N 3.08Å; D191-I195 VanDerWaalsContact OD1-CD1 3.23Å; D191-I195 WeakPolarHBondContact OD1-CD1 3.4Å; D191-R485 IonicContact OD1-CZ 3.02Å; D191-R485 IonicContact OD1-NE 2.94Å; D191-R485 IonicContact OD1-NH2 2.69Å; D191-R485 PolarHBondContact OD1-NH2 3.25Å; D191-R485 IonicContact OD2-CZ 3.61Å; D191-R485 IonicContact OD2-NE 2.66Å; D191-R485 PolarHBondContact OD2-NE 3.03Å; D191-R485 IonicContact OD2-NH2 3.82Å; D191-R485 PolarHBondContact OD2-NH2 3.13Å; D191-Y531 WeakPolarHBondContact CA-OH 3.25Å; D191-Y531 WeakPolarHBondContact CB-OH 3.33Å; D191-Y531 PolarHBondContact OD1-OH 3.48Å
192	C	97.4	Very high	96.8	Very high	50 Å²	50	63.3 Å²	63.3	34%	0.338	30%	0.296	S	S	.	.	H	α-helix	trans	-58	-41.5	176.6	-176	0	0	0	0	111.9	L188 E189 D190 N196 Y278	L188-C192 WeakPolarHBondContact O-CB 3.39Å; L188-C192 PolarHBondContact O-N 2.82Å; E189-C192 PolarHBondContact O-N 2.87Å; D190-C192 PolarHBondContact O-N 2.97Å; C192-N196 VanDerWaalsContact O-CB 3.27Å; C192-N196 WeakPolarHBondContact O-CB 3.35Å; C192-N196 PolarHBondContact O-N 3.28Å; C192-N196 PolarHBondContact O-ND2 2.93Å; C192-N196 VanDerWaalsContact O-ND2 3.15Å; C192-Y278 WeakPolarHBondContact CB-OH 3.46Å
193	F	97.3	Very high	96.6	Very high	93 Å²	93	60.5 Å²	60.5	41%	0.408	28%	0.28	S	S	.	.	I	π-helix	trans	-69.3	-44.5	178	178.9	-115.8	0	0	0	112.7	E189 D190 D191 I195 K197 R198	E189-F193 WeakPolarHBondContact O-CB 3.42Å; E189-F193 PolarHBondContact O-N 3.03Å; D190-F193 WeakPolarHBondContact O-CB 3.37Å; D190-F193 PolarHBondContact O-N 3.19Å; D190-F193 VanDerWaalsContact O-N 3.13Å; D191-F193 VanDerWaalsContact C-N 3.29Å; D191-F193 PolarHBondContact O-N 2.89Å; F193-I195 VanDerWaalsContact C-N 3.32Å; F193-I195 PolarHBondContact O-N 2.64Å; F193-K197 HydrophobicContact CD2-CB 3.67Å; F193-K197 HydrophobicContact CD2-CG 3.76Å; F193-K197 HydrophobicContact CE2-CB 3.85Å; F193-K197 HydrophobicContact CE2-CG 4.19Å; F193-K197 WeakPolarHBondContact O-CA 3.41Å; F193-K197 WeakPolarHBondContact O-CB 3.47Å; F193-K197 PolarHBondContact O-N 3.02Å; F193-K197 VanDerWaalsContact O-N 3.1Å; F193-R198 HydrophobicContact CD1-CG 4.45Å; F193-R198 HydrophobicContact CE1-CG 4.06Å; F193-R198 VanDerWaalsContact CE1-NE 3.31Å; F193-R198 HydrophobicContact CZ-CG 4.19Å; F193-R198 PolarHBondContact O-N 2.64Å
194	Y	97.1	Very high	96.3	Very high	24 Å²	24	57.7 Å²	57.7	9%	0.094	26%	0.263	C	S	.	.	I	π-helix	trans	-58.8	-43.6	177.7	-80.9	-63.5	0	0	0	112.1	D190 D191 R198 K199 K200 E528 Y531	D190-Y194 HydrophobicContact CB-CD2 4.32Å; D190-Y194 HydrophobicContact CB-CE2 4.09Å; D190-Y194 WeakPolarHBondContact O-CD2 3.34Å; D190-Y194 PolarHBondContact O-N 3.33Å; D191-Y194 PolarHBondContact O-N 3.36Å; Y194-R198 CarbonylContact O-C 3.59Å; Y194-R198 WeakPolarHBondContact O-CB 3.28Å; Y194-R198 PolarHBondContact O-N 2.74Å; Y194-R198 PolarHBondContact OH-NH1 2.94Å; Y194-R198 VanDerWaalsContact OH-NH1 3.14Å; Y194-K199 PolarHBondContact O-N 2.92Å; Y194-K199 VanDerWaalsContact O-N 3.13Å; Y194-K200 HydrophobicContact CD1-CD 3.7Å; Y194-K200 HydrophobicContact CD1-CG 4.39Å; Y194-K200 HydrophobicContact CE1-CD 4.36Å; Y194-K200 PolarHBondContact O-N 3.2Å; Y194-E528 HydrophobicContact CE1-CG 3.85Å; Y194-E528 VanDerWaalsContact CE1-OE1 3.28Å; Y194-E528 WeakPolarHBondContact CE1-OE1 3.33Å; Y194-E528 HydrophobicContact CE2-CG 4.06Å; Y194-E528 VanDerWaalsContact CZ-CG 3.49Å; Y194-E528 WeakPolarHBondContact OH-CG 3.39Å; Y194-E528 PolarHBondContact OH-OE1 3.3Å; Y194-E528 PolarHBondContact OH-OE2 2.93Å; Y194-Y531 HydrophobicContact CD2-CD2 4.16Å; Y194-Y531 HydrophobicContact CD2-CE2 4.07Å; Y194-Y531 HydrophobicContact CD2-CG 4.44Å; Y194-Y531 HydrophobicContact CG-CD1 4.32Å; Y194-Y531 HydrophobicContact CG-CD2 4.34Å; Y194-Y531 HydrophobicContact CG-CG 4.19Å
195	I	95.9	Very high	95.9	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	28%	0.284	C	S	.	.	I	π-helix	trans	-84.7	-54.8	-173.6	-66.4	167.5	0	0	0	111.1	D191 F193 K199 K200 V202 Y278 C280 E281 Y531	D191-I195 PolarHBondContact O-N 2.95Å; D191-I195 VanDerWaalsContact O-N 3.08Å; D191-I195 VanDerWaalsContact OD1-CD1 3.23Å; D191-I195 WeakPolarHBondContact OD1-CD1 3.4Å; F193-I195 VanDerWaalsContact C-N 3.32Å; F193-I195 PolarHBondContact O-N 2.64Å; I195-K199 WeakPolarHBondContact O-CA 3.34Å; I195-K199 PolarHBondContact O-N 3.22Å; I195-K200 WeakPolarHBondContact CA-O 3.48Å; I195-V202 HydrophobicContact CD1-CG2 4.42Å; I195-Y278 HydrophobicContact CB-CD2 4.18Å; I195-Y278 HydrophobicContact CD1-CD2 4.07Å; I195-Y278 HydrophobicContact CD1-CE2 4.29Å; I195-Y278 HydrophobicContact CG2-CD2 3.76Å; I195-Y278 HydrophobicContact CG2-CG 4.2Å; I195-C280 WeakPolarHBondContact CG2-SG 3.23Å; I195-E281 WeakPolarHBondContact CD1-OE1 3.13Å; I195-E281 HydrophobicContact CG2-CG 4.13Å; I195-Y531 HydrophobicContact CD1-CE1 4.21Å; I195-Y531 HydrophobicContact CG1-CD1 4.41Å; I195-Y531 HydrophobicContact CG1-CE1 4.35Å
196	N	94.4	Very high	95.6	Very high	43 Å²	43	57.7 Å²	57.7	23%	0.23	27%	0.272	C	S	.	.	I	π-helix	trans	-78.4	-34	-172	-62.8	-66.5	0	0	0	113.3	C192 K199 Y278	C192-N196 VanDerWaalsContact O-CB 3.27Å; C192-N196 WeakPolarHBondContact O-CB 3.35Å; C192-N196 PolarHBondContact O-N 3.28Å; C192-N196 PolarHBondContact O-ND2 2.93Å; C192-N196 VanDerWaalsContact O-ND2 3.15Å; N196-K199 WeakPolarHBondContact O-CE 3.4Å; N196-K199 PolarHBondContact O-NZ 3.09Å; N196-Y278 WeakPolarHBondContact ND2-CD1 3.24Å; N196-Y278 WeakPolarHBondContact ND2-CE1 3.37Å
197	K	94.6	Very high	95.2	Very high	162 Å²	162	59.6 Å²	59.6	70%	0.704	28%	0.283	S	S	*	.	I	π-helix	trans	-99	-53.1	-179.4	-56.5	-65.7	-172.2	173.4	0	112.5	F193 K199	F193-K197 HydrophobicContact CD2-CB 3.67Å; F193-K197 HydrophobicContact CD2-CG 3.76Å; F193-K197 HydrophobicContact CE2-CB 3.85Å; F193-K197 HydrophobicContact CE2-CG 4.19Å; F193-K197 WeakPolarHBondContact O-CA 3.41Å; F193-K197 WeakPolarHBondContact O-CB 3.47Å; F193-K197 PolarHBondContact O-N 3.02Å; F193-K197 VanDerWaalsContact O-N 3.1Å; K197-K199 VanDerWaalsContact C-N 3.32Å; K197-K199 PolarHBondContact O-N 2.73Å
198	R	94.8	Very high	94.9	Very high	129 Å²	129	60.4 Å²	60.4	49%	0.487	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-5.7	-178.1	-67.8	177.9	156.7	173.1	-6.2	114.6	F193 Y194 K200	F193-R198 HydrophobicContact CD1-CG 4.45Å; F193-R198 HydrophobicContact CE1-CG 4.06Å; F193-R198 VanDerWaalsContact CE1-NE 3.31Å; F193-R198 HydrophobicContact CZ-CG 4.19Å; F193-R198 PolarHBondContact O-N 2.64Å; Y194-R198 CarbonylContact O-C 3.59Å; Y194-R198 WeakPolarHBondContact O-CB 3.28Å; Y194-R198 PolarHBondContact O-N 2.74Å; Y194-R198 PolarHBondContact OH-NH1 2.94Å; Y194-R198 VanDerWaalsContact OH-NH1 3.14Å; R198-K200 HydrophobicContact CB-CG 4.41Å; R198-K200 PolarHBondContact O-N 3.06Å; R198-K200 VanDerWaalsContact O-N 3.17Å
199	K	93.8	Very high	94.8	Very high	132 Å²	132	59.8 Å²	59.8	57%	0.574	29%	0.287	S	S	*	.			trans	54.7	29.7	179.4	-52.8	-52.8	-172	-168.5	0	114	Y194 I195 N196 K197	Y194-K199 PolarHBondContact O-N 2.92Å; Y194-K199 VanDerWaalsContact O-N 3.13Å; I195-K199 WeakPolarHBondContact O-CA 3.34Å; I195-K199 PolarHBondContact O-N 3.22Å; N196-K199 WeakPolarHBondContact O-CE 3.4Å; N196-K199 PolarHBondContact O-NZ 3.09Å; K197-K199 VanDerWaalsContact C-N 3.32Å; K197-K199 PolarHBondContact O-N 2.73Å
200	K	95.4	Very high	94.8	Very high	44 Å²	44	53.4 Å²	53.4	19%	0.191	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	161.4	165.9	-63.8	-161.7	-177	-177.9	0	110.2	Y194 I195 R198 E528 Y531 V532	Y194-K200 HydrophobicContact CD1-CD 3.7Å; Y194-K200 HydrophobicContact CD1-CG 4.39Å; Y194-K200 HydrophobicContact CE1-CD 4.36Å; Y194-K200 PolarHBondContact O-N 3.2Å; I195-K200 WeakPolarHBondContact CA-O 3.48Å; R198-K200 HydrophobicContact CB-CG 4.41Å; R198-K200 PolarHBondContact O-N 3.06Å; R198-K200 VanDerWaalsContact O-N 3.17Å; K200-E528 IonicContact NZ-OE1 2.73Å; K200-E528 PolarHBondContact NZ-OE1 3.5Å; K200-Y531 VanDerWaalsContact CD-CB 3.44Å; K200-Y531 WeakPolarHBondContact CD-O 3.46Å; K200-Y531 PolarHBondContact NZ-O 2.83Å; K200-V532 CarbonylContact C-O 3.46Å; K200-V532 WeakPolarHBondContact CA-O 3.31Å; K200-V532 VanDerWaalsContact CB-O 3.27Å; K200-V532 WeakPolarHBondContact CB-O 3.27Å
201	L	96	Very high	94.7	Very high	9 Å²	9	51.2 Å²	51.2	5%	0.047	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	152.3	167.8	-67.7	175.4	0	0	0	109.1	E281 Q284 Y531 V532 A534 A537	L201-E281 HydrophobicContact CD2-CG 3.9Å; L201-Q284 HydrophobicContact CD1-CB 4.36Å; L201-Y531 WeakPolarHBondContact O-CA 3.28Å; L201-V532 PolarHBondContact N-O 3.26Å; L201-V532 WeakPolarHBondContact O-CG2 3.21Å; L201-V532 PolarHBondContact O-N 3.22Å; L201-A534 HydrophobicContact CD1-CB 4.26Å; L201-A537 HydrophobicContact CB-CB 4.22Å; L201-A537 HydrophobicContact CD1-CB 4.26Å
202	V	95.6	Very high	94.6	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	140.6	171.7	179.1	0	0	0	0	109.4	I195 V204 Q284 Q481 A530 Y531	I195-V202 HydrophobicContact CD1-CG2 4.42Å; V202-V204 PolarHBondContact O-N 2.98Å; V202-Q284 PolarHBondContact O-NE2 2.98Å; V202-Q481 HydrophobicContact CG2-CB 4.24Å; V202-Q481 HydrophobicContact CG2-CG 4.08Å; V202-A530 CarbonylContact C-O 3.09Å; V202-A530 WeakPolarHBondContact CA-O 3.26Å; V202-Y531 HydrophobicContact CG2-CD1 3.71Å; V202-Y531 HydrophobicContact CG2-CE1 3.59Å
203	M	93.2	Very high	94.6	Very high	55 Å²	55	53.5 Å²	53.5	27%	0.271	25%	0.252	S	S	.	.			trans	-64.8	120.1	172.9	-81	-70.1	-72.9	0	0	111.3	C206 A530 V532 N540	M203-C206 PolarHBondContact O-SG 3.42Å; M203-A530 PolarHBondContact N-O 3.3Å; M203-V532 HydrophobicContact CG-CB 4.27Å; M203-V532 HydrophobicContact CG-CG1 3.53Å; M203-V532 HydrophobicContact CG-CG2 3.75Å; M203-V532 HydrophobicContact SD-CB 4.29Å; M203-V532 HydrophobicContact SD-CG1 3.78Å; M203-V532 HydrophobicContact SD-CG2 3.61Å; M203-N540 HydrophobicContact CE-CB 3.79Å; M203-N540 HydrophobicContact SD-CB 4.27Å
204	V	91.3	Very high	94.6	Very high	8 Å²	8	49.1 Å²	49.1	5%	0.048	23%	0.232	C	C	.	.	S	Bend	trans	-127.7	129.7	178.8	178.6	0	0	0	0	108.8	V202 V288 L477 Y478	V202-V204 PolarHBondContact O-N 2.98Å; V204-V288 HydrophobicContact CB-CG2 4.37Å; V204-V288 HydrophobicContact CG1-CG1 4.15Å; V204-V288 HydrophobicContact CG1-CG2 3.73Å; V204-L477 HydrophobicContact CG1-CB 4.16Å; V204-Y478 HydrophobicContact CG1-CE2 4.32Å; V204-Y478 HydrophobicContact CG2-CD1 3.89Å; V204-Y478 HydrophobicContact CG2-CE1 3.66Å
205	P	91.1	Very high	94.6	Very high	67 Å²	67	49.3 Å²	49.3	44%	0.435	23%	0.234	S	C	.	.	S	Bend	cis	-67.3	143.3	-0.3	29.1	-35.6	0	0	0	113.3	L294 L477	P205-L294 HydrophobicContact CG-CD2 4.4Å; P205-L477 CarbonylContact C-O 3.58Å; P205-L477 WeakPolarHBondContact CA-O 3.41Å; P205-L477 HydrophobicContact CB-CD2 4.36Å
206	C	92	Very high	94.5	Very high	19 Å²	19	50.3 Å²	50.3	13%	0.128	24%	0.241	C	C	.	.			trans	-73.9	135.5	175.7	-61.7	0	0	0	0	110.8	M203 T208 L477 G479	M203-C206 PolarHBondContact O-SG 3.42Å; C206-T208 PolarHBondContact O-N 2.82Å; C206-L477 PolarHBondContact N-O 3.41Å; C206-G479 PolarHBondContact SG-N 2.96Å
207	Q	88.3	Confident	94.6	Very high	170 Å²	170	48.4 Å²	48.4	79%	0.794	23%	0.231	S	C	*	.	S	Bend	trans	-58.8	-35.8	177.1	-69.6	177.8	-24.5	0	0	112.7
208	T	92.3	Very high	94.7	Very high	50 Å²	50	40.9 Å²	40.9	31%	0.307	20%	0.198	S	C	.	.	S	Bend	trans	-118.3	94.3	169.2	-47.4	0	0	0	0	107.6	C206 H212 I213	C206-T208 PolarHBondContact O-N 2.82Å; T208-H212 HydrophobicContact CG2-CB 3.84Å; T208-I213 HydrophobicContact CG2-CG1 3.97Å
209	N	96.1	Very high	94.5	Very high	13 Å²	13	35.8 Å²	35.8	7%	0.07	18%	0.18	C	C	.	.			trans	-77.8	173.8	179.4	69.7	23.1	0	0	0	112.1	V211 H212 I213 Y476 Y478	N209-V211 VanDerWaalsContact C-N 3.29Å; N209-V211 PolarHBondContact O-N 3.14Å; N209-V211 PolarHBondContact OD1-N 2.67Å; N209-H212 PolarHBondContact O-N 3.49Å; N209-H212 PolarHBondContact OD1-N 3.02Å; N209-H212 VanDerWaalsContact OD1-N 3.11Å; N209-H212 PolarHBondContact OD1-ND1 3.26Å; N209-I213 WeakPolarHBondContact O-CG1 3.4Å; N209-I213 PolarHBondContact O-N 3.45Å; N209-I213 VanDerWaalsContact O-N 3.16Å; N209-Y476 WeakPolarHBondContact CB-O 3.36Å; N209-Y476 WeakPolarHBondContact ND2-CA 3.34Å; N209-Y476 PolarHBondContact ND2-O 3.16Å; N209-Y478 CarbonylContact C-O 3.58Å; N209-Y478 WeakPolarHBondContact CA-O 3.3Å; N209-Y478 WeakPolarHBondContact CB-O 3.37Å
210	V	97.7	Very high	94.4	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-53.2	-43.1	-179.8	172.4	0	0	0	0	112.4	H212 I213 L214 F268 S475 Y478 L483	V210-H212 PolarHBondContact O-N 3.26Å; V210-I213 PolarHBondContact O-N 2.83Å; V210-L214 HydrophobicContact CG1-CD1 3.56Å; V210-L214 HydrophobicContact CG1-CG 3.93Å; V210-L214 VanDerWaalsContact O-CB 3.32Å; V210-L214 WeakPolarHBondContact O-CB 3.48Å; V210-L214 VanDerWaalsContact O-CG 3.24Å; V210-L214 WeakPolarHBondContact O-CG 3.47Å; V210-L214 PolarHBondContact O-N 3.1Å; V210-F268 HydrophobicContact CB-CD1 4.46Å; V210-F268 HydrophobicContact CB-CE1 4.45Å; V210-F268 HydrophobicContact CG1-CD1 4.4Å; V210-F268 HydrophobicContact CG2-CD1 3.97Å; V210-F268 HydrophobicContact CG2-CE1 3.61Å; V210-F268 HydrophobicContact CG2-CE2 4.38Å; V210-F268 HydrophobicContact CG2-CG 4.47Å; V210-F268 HydrophobicContact CG2-CZ 3.84Å; V210-S475 WeakPolarHBondContact CB-O 3.47Å; V210-S475 PolarHBondContact N-O 3.48Å; V210-Y478 WeakPolarHBondContact CG2-O 3.5Å; V210-Y478 PolarHBondContact N-O 2.55Å; V210-L483 HydrophobicContact CG1-CD1 3.91Å; V210-L483 HydrophobicContact CG1-CD2 4.05Å; V210-L483 HydrophobicContact CG1-CG 4.48Å; V210-L483 HydrophobicContact CG2-CB 3.99Å; V210-L483 HydrophobicContact CG2-CD1 4.4Å; V210-L483 HydrophobicContact CG2-CD2 4.33Å; V210-L483 HydrophobicContact CG2-CG 4.48Å
211	V	96.6	Very high	94.2	Very high	5 Å²	5	31.1 Å²	31.1	3%	0.03	16%	0.16	C	C	.	.	H	α-helix	trans	-58.9	-46.6	179.3	177.1	0	0	0	0	111.7	N209 I213 L214 E215 R265 L460 S475 Y476	N209-V211 VanDerWaalsContact C-N 3.29Å; N209-V211 PolarHBondContact O-N 3.14Å; N209-V211 PolarHBondContact OD1-N 2.67Å; V211-I213 VanDerWaalsContact C-N 3.35Å; V211-I213 PolarHBondContact O-N 2.89Å; V211-L214 PolarHBondContact O-N 3.01Å; V211-E215 HydrophobicContact CG1-CG 4.47Å; V211-E215 WeakPolarHBondContact O-CG 3.31Å; V211-E215 PolarHBondContact O-N 3.44Å; V211-R265 HydrophobicContact CG2-CG 4.41Å; V211-L460 HydrophobicContact CG1-CB 4.29Å; V211-L460 HydrophobicContact CG1-CD2 4.32Å; V211-S475 PolarHBondContact N-O 3.29Å; V211-Y476 HydrophobicContact CG2-CD2 3.72Å; V211-Y476 HydrophobicContact CG2-CE2 3.58Å
212	H	95.2	Very high	93.9	Very high	100 Å²	100	31.2 Å²	31.2	46%	0.463	16%	0.161	S	C	.	.	H	α-helix	trans	-63.7	-37.5	178.1	-68.6	85.9	0	0	0	112.7	T208 N209 V210 S216	T208-H212 HydrophobicContact CG2-CB 3.84Å; N209-H212 PolarHBondContact O-N 3.49Å; N209-H212 PolarHBondContact OD1-N 3.02Å; N209-H212 VanDerWaalsContact OD1-N 3.11Å; N209-H212 PolarHBondContact OD1-ND1 3.26Å; V210-H212 PolarHBondContact O-N 3.26Å; H212-S216 VanDerWaalsContact O-CB 3.23Å; H212-S216 WeakPolarHBondContact O-CB 3.34Å; H212-S216 PolarHBondContact O-N 2.7Å
213	I	97.3	Very high	93.5	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-65	-44.4	176.2	-61.7	166.7	0	0	0	110.5	T208 N209 V210 V211 S216 Y217 L483 F514 L518 F525	T208-I213 HydrophobicContact CG2-CG1 3.97Å; N209-I213 WeakPolarHBondContact O-CG1 3.4Å; N209-I213 PolarHBondContact O-N 3.45Å; N209-I213 VanDerWaalsContact O-N 3.16Å; V210-I213 PolarHBondContact O-N 2.83Å; V211-I213 VanDerWaalsContact C-N 3.35Å; V211-I213 PolarHBondContact O-N 2.89Å; I213-S216 PolarHBondContact O-N 3.14Å; I213-Y217 PolarHBondContact O-N 2.63Å; I213-L483 HydrophobicContact CB-CD2 4.48Å; I213-L483 HydrophobicContact CD1-CD2 4.49Å; I213-L483 HydrophobicContact CG2-CD2 4.09Å; I213-F514 HydrophobicContact CG2-CE2 4.47Å; I213-F514 HydrophobicContact CG2-CZ 4.19Å; I213-L518 HydrophobicContact CG2-CD2 3.94Å; I213-F525 HydrophobicContact CB-CE1 4.36Å; I213-F525 HydrophobicContact CG1-CD1 4.18Å; I213-F525 HydrophobicContact CG1-CE1 3.94Å; I213-F525 HydrophobicContact CG2-CD1 4.47Å; I213-F525 HydrophobicContact CG2-CE1 3.99Å; I213-F525 HydrophobicContact CG2-CZ 4.2Å
214	L	98.1	Very high	93.1	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-67.5	-41.2	-179.4	-75.1	-175.8	0	0	0	112.3	V210 V211 Y217 V218 V261 L264 R265 L460 L483 F514	V210-L214 HydrophobicContact CG1-CD1 3.56Å; V210-L214 HydrophobicContact CG1-CG 3.93Å; V210-L214 VanDerWaalsContact O-CB 3.32Å; V210-L214 WeakPolarHBondContact O-CB 3.48Å; V210-L214 VanDerWaalsContact O-CG 3.24Å; V210-L214 WeakPolarHBondContact O-CG 3.47Å; V210-L214 PolarHBondContact O-N 3.1Å; V211-L214 PolarHBondContact O-N 3.01Å; L214-Y217 PolarHBondContact O-N 3.25Å; L214-V218 PolarHBondContact O-N 3.45Å; L214-V261 HydrophobicContact CB-CG1 3.62Å; L214-V261 HydrophobicContact CD1-CG1 4.25Å; L214-V261 HydrophobicContact CD2-CG1 4.07Å; L214-V261 HydrophobicContact CG-CG1 4.16Å; L214-L264 HydrophobicContact CD2-CB 4.39Å; L214-L264 HydrophobicContact CD2-CD1 4.23Å; L214-R265 HydrophobicContact CD1-CB 3.79Å; L214-R265 HydrophobicContact CD1-CG 4.33Å; L214-L460 HydrophobicContact CB-CD2 3.84Å; L214-L460 HydrophobicContact CD1-CD2 3.84Å; L214-L483 HydrophobicContact CD2-CD2 4.44Å; L214-F514 HydrophobicContact CD2-CE2 3.81Å; L214-F514 HydrophobicContact CD2-CZ 3.84Å
215	E	95.9	Very high	92.7	Very high	28 Å²	28	36.2 Å²	36.2	13%	0.131	19%	0.185	C	C	.	.	H	α-helix	trans	-64.7	-43	171.3	-73.5	-171.3	-176.4	0	0	112.7	V211 Y217 V218 K219 W458 K459 L460	V211-E215 HydrophobicContact CG1-CG 4.47Å; V211-E215 WeakPolarHBondContact O-CG 3.31Å; V211-E215 PolarHBondContact O-N 3.44Å; E215-Y217 VanDerWaalsContact C-N 3.26Å; E215-Y217 PolarHBondContact O-N 2.94Å; E215-V218 PolarHBondContact O-N 2.93Å; E215-K219 WeakPolarHBondContact O-CB 3.16Å; E215-K219 VanDerWaalsContact O-CG 3.3Å; E215-K219 WeakPolarHBondContact O-CG 3.5Å; E215-K219 PolarHBondContact O-N 3.32Å; E215-K219 IonicContact OE2-NZ 2.64Å; E215-W458 HydrophobicContact CG-CZ3 4.19Å; E215-K459 VanDerWaalsContact OE1-CA 3.22Å; E215-K459 WeakPolarHBondContact OE1-CA 3.41Å; E215-K459 WeakPolarHBondContact OE1-CB 3.49Å; E215-L460 HydrophobicContact CG-CB 3.74Å; E215-L460 PolarHBondContact OE1-N 2.89Å
216	S	95	Very high	92.1	Very high	21 Å²	21	35.4 Å²	35.4	15%	0.147	19%	0.185	C	C	.	.	H	α-helix	trans	-57.7	-40.7	175.9	-176.4	0	0	0	0	111.4	H212 I213 K219 H220	H212-S216 VanDerWaalsContact O-CB 3.23Å; H212-S216 WeakPolarHBondContact O-CB 3.34Å; H212-S216 PolarHBondContact O-N 2.7Å; I213-S216 PolarHBondContact O-N 3.14Å; S216-K219 PolarHBondContact O-N 3.09Å; S216-H220 WeakPolarHBondContact O-CB 3.31Å; S216-H220 PolarHBondContact O-N 2.97Å
217	Y	96.9	Very high	91.3	Very high	4 Å²	4	39.6 Å²	39.6	2%	0.016	20%	0.201	C	C	.	.	H	α-helix	trans	-63.8	-47.3	174.6	174.1	-111.7	0	0	0	113.4	I213 L214 E215 K219 H220 F221 C257 M260 V261 L513 F514 F517	I213-Y217 PolarHBondContact O-N 2.63Å; L214-Y217 PolarHBondContact O-N 3.25Å; E215-Y217 VanDerWaalsContact C-N 3.26Å; E215-Y217 PolarHBondContact O-N 2.94Å; Y217-K219 VanDerWaalsContact C-N 3.27Å; Y217-K219 PolarHBondContact O-N 3.27Å; Y217-H220 PolarHBondContact O-N 2.67Å; Y217-F221 VanDerWaalsContact O-CB 3.29Å; Y217-F221 WeakPolarHBondContact O-CB 3.38Å; Y217-F221 PolarHBondContact O-N 3.39Å; Y217-C257 WeakPolarHBondContact CE1-SG 3.33Å; Y217-M260 HydrophobicContact CD1-CE 4.47Å; Y217-M260 HydrophobicContact CE1-CE 3.71Å; Y217-V261 HydrophobicContact CD1-CG2 3.76Å; Y217-V261 HydrophobicContact CE1-CG2 4.1Å; Y217-L513 WeakPolarHBondContact OH-CB 3.39Å; Y217-F514 AromaticContact CD1-CD2 3.62Å; Y217-F514 HydrophobicContact CD1-CD2 3.62Å; Y217-F514 HydrophobicContact CD1-CE2 4.33Å; Y217-F514 AromaticContact CD2-CD2 3.82Å; Y217-F514 HydrophobicContact CD2-CD2 3.82Å; Y217-F514 HydrophobicContact CE1-CB 4.21Å; Y217-F514 HydrophobicContact CE1-CD2 4.04Å; Y217-F514 HydrophobicContact CE2-CB 4.22Å; Y217-F514 HydrophobicContact CE2-CD2 4.23Å; Y217-F514 AromaticContact CG-CD2 3.48Å; Y217-F514 HydrophobicContact CG-CD2 3.48Å; Y217-F514 VanDerWaalsContact CG-CD2 3.48Å; Y217-F514 HydrophobicContact CG-CE2 4.01Å; Y217-F514 PolarHBondContact OH-N 2.69Å; Y217-F517 HydrophobicContact CD2-CB 3.75Å; Y217-F517 AromaticContact CD2-CD1 3.58Å; Y217-F517 HydrophobicContact CD2-CD1 3.58Å; Y217-F517 HydrophobicContact CD2-CD2 4.2Å; Y217-F517 HydrophobicContact CD2-CE1 4.16Å; Y217-F517 AromaticContact CD2-CG 3.59Å; Y217-F517 HydrophobicContact CD2-CG 3.59Å; Y217-F517 HydrophobicContact CE2-CB 3.96Å; Y217-F517 HydrophobicContact CE2-CG 4.29Å; Y217-F517 HydrophobicContact CG-CD1 4.15Å; Y217-F517 HydrophobicContact CG-CE1 4.39Å
218	V	95.4	Very high	90.4	Very high	3 Å²	3	35.3 Å²	35.3	2%	0.018	18%	0.182	C	C	.	.	H	α-helix	trans	-62.1	-39.2	179.6	173.8	0	0	0	0	111.1	L214 E215 F221 T222 K258 V261 W458	L214-V218 PolarHBondContact O-N 3.45Å; E215-V218 PolarHBondContact O-N 2.93Å; V218-F221 PolarHBondContact O-N 3.17Å; V218-T222 PolarHBondContact O-N 3.28Å; V218-T222 PolarHBondContact O-OG1 3.25Å; V218-K258 HydrophobicContact CG1-CD 4.38Å; V218-K258 HydrophobicContact CG1-CG 3.82Å; V218-K258 HydrophobicContact CG2-CG 4.42Å; V218-V261 HydrophobicContact CG2-CB 4.08Å; V218-V261 HydrophobicContact CG2-CG1 3.96Å; V218-V261 HydrophobicContact CG2-CG2 3.79Å; V218-W458 HydrophobicContact CB-CE3 3.91Å; V218-W458 HydrophobicContact CB-CH2 4.19Å; V218-W458 HydrophobicContact CB-CZ3 3.55Å; V218-W458 HydrophobicContact CG1-CD2 4.13Å; V218-W458 HydrophobicContact CG1-CE3 3.67Å; V218-W458 HydrophobicContact CG1-CH2 4.1Å; V218-W458 HydrophobicContact CG1-CZ3 3.66Å; V218-W458 HydrophobicContact CG2-CE3 4.45Å; V218-W458 HydrophobicContact CG2-CH2 3.84Å; V218-W458 HydrophobicContact CG2-CZ3 3.62Å
219	K	92.1	Very high	89.2	Confident	23 Å²	23	35.7 Å²	35.7	10%	0.1	19%	0.19	C	C	.	.	H	α-helix	trans	-62.2	-50.5	174.8	-70.1	169.5	-170.2	-177.4	0	110.5	E215 S216 Y217 F221 T222 I223 V455 L456 W458	E215-K219 WeakPolarHBondContact O-CB 3.16Å; E215-K219 VanDerWaalsContact O-CG 3.3Å; E215-K219 WeakPolarHBondContact O-CG 3.5Å; E215-K219 PolarHBondContact O-N 3.32Å; E215-K219 IonicContact OE2-NZ 2.64Å; S216-K219 PolarHBondContact O-N 3.09Å; Y217-K219 VanDerWaalsContact C-N 3.27Å; Y217-K219 PolarHBondContact O-N 3.27Å; K219-F221 PolarHBondContact O-N 2.98Å; K219-T222 PolarHBondContact O-N 3.11Å; K219-I223 WeakPolarHBondContact O-CB 3.39Å; K219-I223 WeakPolarHBondContact O-CD1 3.36Å; K219-I223 WeakPolarHBondContact O-CG1 3.35Å; K219-I223 PolarHBondContact O-N 3.04Å; K219-V455 HydrophobicContact CB-CG1 4.42Å; K219-V455 WeakPolarHBondContact CE-O 3.37Å; K219-V455 HydrophobicContact CG-CG1 4.3Å; K219-V455 WeakPolarHBondContact CG-O 3.42Å; K219-L456 VanDerWaalsContact CE-O 3.26Å; K219-L456 WeakPolarHBondContact CE-O 3.34Å; K219-L456 PolarHBondContact NZ-O 3.31Å; K219-W458 WeakPolarHBondContact CE-O 3.39Å; K219-W458 PolarHBondContact NZ-O 2.79Å
220	H	91.5	Very high	87.4	Confident	53 Å²	53	39.1 Å²	39.1	25%	0.245	21%	0.208	C	C	.	.	H	α-helix	trans	-59	-46.1	175.4	-179	-114.3	0	0	0	113	S216 Y217 T222 I223 N224 F517 E520 F521	S216-H220 WeakPolarHBondContact O-CB 3.31Å; S216-H220 PolarHBondContact O-N 2.97Å; Y217-H220 PolarHBondContact O-N 2.67Å; H220-T222 PolarHBondContact O-N 3.29Å; H220-I223 PolarHBondContact O-N 3.36Å; H220-N224 VanDerWaalsContact O-CB 3.23Å; H220-N224 WeakPolarHBondContact O-CB 3.41Å; H220-N224 PolarHBondContact O-N 3.26Å; H220-F517 HydrophobicContact CB-CD2 4.21Å; H220-F517 HydrophobicContact CB-CE2 3.73Å; H220-F517 HydrophobicContact CB-CZ 4.5Å; H220-F517 AromaticContact CE1-CD2 3.87Å; H220-F517 AromaticContact CG-CD2 3.84Å; H220-F517 AromaticContact CG-CE2 3.72Å; H220-F517 AromaticContact ND1-CD2 3.28Å; H220-F517 VanDerWaalsContact ND1-CD2 3.28Å; H220-F517 WeakPolarHBondContact ND1-CD2 3.41Å; H220-F517 AromaticContact ND1-CE2 3.67Å; H220-E520 IonicContact CE1-OE2 2.73Å; H220-F521 AromaticContact CE1-CE2 3.98Å; H220-F521 AromaticContact NE2-CE2 3.97Å
221	F	91.8	Very high	85.5	Confident	24 Å²	24	45.8 Å²	45.8	11%	0.105	24%	0.239	C	C	.	.	H	α-helix	trans	-59.5	-47.7	-179.7	-179.3	-87.6	0	0	0	111.7	Y217 V218 K219 K225 E254 C257 H510 L513	Y217-F221 VanDerWaalsContact O-CB 3.29Å; Y217-F221 WeakPolarHBondContact O-CB 3.38Å; Y217-F221 PolarHBondContact O-N 3.39Å; V218-F221 PolarHBondContact O-N 3.17Å; K219-F221 PolarHBondContact O-N 2.98Å; F221-K225 HydrophobicContact CE1-CD 4.46Å; F221-K225 VanDerWaalsContact O-CB 3.23Å; F221-K225 WeakPolarHBondContact O-CB 3.23Å; F221-K225 PolarHBondContact O-N 3.41Å; F221-E254 HydrophobicContact CE1-CB 4.4Å; F221-C257 HydrophobicContact CD1-CB 3.96Å; F221-C257 HydrophobicContact CE1-CB 3.79Å; F221-C257 HydrophobicContact CG-CB 4.42Å; F221-C257 HydrophobicContact CZ-CB 4.09Å; F221-H510 AromaticContact CE2-ND1 3.99Å; F221-H510 AromaticContact CZ-CE1 3.81Å; F221-L513 HydrophobicContact CE2-CD1 4.3Å
222	T	89.4	Confident	83.7	Confident	12 Å²	12	51.9 Å²	51.9	7%	0.074	26%	0.262	C	S	.	.	H	α-helix	trans	-72.7	-39.1	-177.4	-51.2	0	0	0	0	112	V218 K219 H220 K225 A226 E254 V455	V218-T222 PolarHBondContact O-N 3.28Å; V218-T222 PolarHBondContact O-OG1 3.25Å; K219-T222 PolarHBondContact O-N 3.11Å; H220-T222 PolarHBondContact O-N 3.29Å; T222-K225 WeakPolarHBondContact O-CB 3.49Å; T222-K225 PolarHBondContact O-N 3.32Å; T222-A226 PolarHBondContact O-N 2.99Å; T222-E254 VanDerWaalsContact CG2-CD 3.46Å; T222-E254 HydrophobicContact CG2-CG 4.5Å; T222-E254 VanDerWaalsContact CG2-OE2 3.25Å; T222-E254 WeakPolarHBondContact CG2-OE2 3.25Å; T222-E254 PolarHBondContact OG1-OE1 3.34Å; T222-V455 HydrophobicContact CG2-CG1 4.29Å; T222-V455 HydrophobicContact CG2-CG2 3.5Å; T222-V455 VanDerWaalsContact CG2-CG2 3.5Å
223	I	85.4	Confident	81.7	Confident	27 Å²	27	53.7 Å²	53.7	14%	0.138	27%	0.265	C	S	.	.	H	α-helix	trans	-61.6	-46.4	174.1	-70.3	168.3	0	0	0	110.6	K219 H220 A226 F227 L452 V455 L456	K219-I223 WeakPolarHBondContact O-CB 3.39Å; K219-I223 WeakPolarHBondContact O-CD1 3.36Å; K219-I223 WeakPolarHBondContact O-CG1 3.35Å; K219-I223 PolarHBondContact O-N 3.04Å; H220-I223 PolarHBondContact O-N 3.36Å; I223-A226 PolarHBondContact O-N 2.85Å; I223-F227 HydrophobicContact CG2-CD2 3.78Å; I223-F227 HydrophobicContact CG2-CE2 3.5Å; I223-F227 VanDerWaalsContact CG2-CE2 3.5Å; I223-F227 VanDerWaalsContact O-CD2 3.23Å; I223-F227 WeakPolarHBondContact O-CD2 3.44Å; I223-F227 PolarHBondContact O-N 3.27Å; I223-L452 HydrophobicContact CG1-CD2 4.01Å; I223-V455 HydrophobicContact CG1-CG1 4.19Å; I223-L456 HydrophobicContact CD1-CD2 4.26Å
224	N	85.6	Confident	79.6	Confident	73 Å²	73	63.1 Å²	63.1	39%	0.39	30%	0.301	S	S	.	.	H	α-helix	trans	-63.9	-44.8	177.4	-168.4	-12.2	0	0	0	111.5	H220 A226 F227 M228	H220-N224 VanDerWaalsContact O-CB 3.23Å; H220-N224 WeakPolarHBondContact O-CB 3.41Å; H220-N224 PolarHBondContact O-N 3.26Å; N224-A226 VanDerWaalsContact C-N 3.28Å; N224-A226 PolarHBondContact O-N 3.19Å; N224-F227 PolarHBondContact O-N 3.23Å; N224-M228 WeakPolarHBondContact O-CG 3.44Å; N224-M228 PolarHBondContact O-N 2.96Å
225	K	82.7	Confident	77.5	Confident	67 Å²	67	73.1 Å²	73.1	29%	0.291	34%	0.338	S	S	.	.	H	α-helix	trans	-52.2	-43.5	172	172.3	-170.9	168.8	-166	0	112	F221 T222 A229 E254	F221-K225 HydrophobicContact CE1-CD 4.46Å; F221-K225 VanDerWaalsContact O-CB 3.23Å; F221-K225 WeakPolarHBondContact O-CB 3.23Å; F221-K225 PolarHBondContact O-N 3.41Å; T222-K225 WeakPolarHBondContact O-CB 3.49Å; T222-K225 PolarHBondContact O-N 3.32Å; K225-A229 PolarHBondContact O-N 3.09Å; K225-A229 VanDerWaalsContact O-N 3.15Å; K225-E254 HydrophobicContact CD-CB 4.42Å; K225-E254 IonicContact NZ-OE2 3.69Å; K225-E254 PolarHBondContact NZ-OE2 3.15Å
226	A	78.5	Confident	75.5	Confident	51 Å²	51	77.5 Å²	77.5	42%	0.421	36%	0.359	S	S	.	.	H	α-helix	trans	-66.8	-44.9	177.4	0	0	0	0	0	112.7	T222 I223 N224 A229 N230	T222-A226 PolarHBondContact O-N 2.99Å; I223-A226 PolarHBondContact O-N 2.85Å; N224-A226 VanDerWaalsContact C-N 3.28Å; N224-A226 PolarHBondContact O-N 3.19Å; A226-A229 PolarHBondContact O-N 3.42Å; A226-N230 PolarHBondContact O-N 2.87Å
227	F	76.3	Confident	73.6	Confident	107 Å²	107	82.5 Å²	82.5	47%	0.469	38%	0.38	S	S	.	.	H	α-helix	trans	-63.1	-43.6	175.3	-75.3	-61.7	0	0	0	112.5	I223 N224 A229 N230 E231 L415	I223-F227 HydrophobicContact CG2-CD2 3.78Å; I223-F227 HydrophobicContact CG2-CE2 3.5Å; I223-F227 VanDerWaalsContact CG2-CE2 3.5Å; I223-F227 VanDerWaalsContact O-CD2 3.23Å; I223-F227 WeakPolarHBondContact O-CD2 3.44Å; I223-F227 PolarHBondContact O-N 3.27Å; N224-F227 PolarHBondContact O-N 3.23Å; F227-A229 VanDerWaalsContact C-N 3.25Å; F227-A229 PolarHBondContact O-N 3.26Å; F227-N230 WeakPolarHBondContact O-CB 3.34Å; F227-N230 PolarHBondContact O-N 3.02Å; F227-N230 VanDerWaalsContact O-N 3.11Å; F227-E231 PolarHBondContact O-N 3.46Å; F227-L415 HydrophobicContact CZ-CD1 4.49Å
228	M	69.7	Low	71.3	Confident	80 Å²	80	89 Å²	89	39%	0.394	42%	0.415	S	S	.	.	H	α-helix	trans	-62.7	-28.1	176	-68.9	-158.4	99.8	0	0	113.6	N224 R232	N224-M228 WeakPolarHBondContact O-CG 3.44Å; N224-M228 PolarHBondContact O-N 2.96Å; M228-R232 WeakPolarHBondContact O-CG 3.38Å
229	A	65.3	Low	69	Low	57 Å²	57	93.3 Å²	93.3	47%	0.471	44%	0.442	S	S	.	.	H	α-helix	trans	-71.4	-39.2	174	0	0	0	0	0	111.5	K225 A226 F227 R232 Y233	K225-A229 PolarHBondContact O-N 3.09Å; K225-A229 VanDerWaalsContact O-N 3.15Å; A226-A229 PolarHBondContact O-N 3.42Å; F227-A229 VanDerWaalsContact C-N 3.25Å; F227-A229 PolarHBondContact O-N 3.26Å; A229-R232 WeakPolarHBondContact O-CB 3.48Å; A229-R232 PolarHBondContact O-N 2.92Å; A229-Y233 PolarHBondContact O-N 3.39Å; A229-Y233 VanDerWaalsContact O-N 3.11Å
230	N	59.5	Low	66.9	Low	85 Å²	85	99.2 Å²	99.2	46%	0.455	48%	0.48	S	S	.	.	H	α-helix	trans	-64.7	-40.4	-179.5	-165.6	28.7	0	0	0	112.7	A226 F227 R232 Y233 R234	A226-N230 PolarHBondContact O-N 2.87Å; F227-N230 WeakPolarHBondContact O-CB 3.34Å; F227-N230 PolarHBondContact O-N 3.02Å; F227-N230 VanDerWaalsContact O-N 3.11Å; N230-R232 VanDerWaalsContact C-N 3.28Å; N230-R232 PolarHBondContact O-N 3.45Å; N230-Y233 PolarHBondContact O-N 2.92Å; N230-R234 PolarHBondContact O-N 3.03Å
231	E	58.3	Low	64.8	Low	141 Å²	141	104.7 Å²	104.7	66%	0.659	51%	0.506	S	S	*	.	H	α-helix	trans	-59.7	-37.8	173.6	-73.7	-160	122.1	0	0	113	F227 R234 R235	F227-E231 PolarHBondContact O-N 3.46Å; E231-R234 PolarHBondContact O-N 3.46Å; E231-R235 PolarHBondContact O-N 2.98Å
232	R	57.3	Low	62.6	Low	133 Å²	133	109.7 Å²	109.7	50%	0.502	54%	0.543	S	S	.	.	H	α-helix	trans	-68.3	-44.2	178.6	-67.6	172.7	177.8	-142.8	-5.1	111.2	M228 A229 N230 R234 R235 Q236	M228-R232 WeakPolarHBondContact O-CG 3.38Å; A229-R232 WeakPolarHBondContact O-CB 3.48Å; A229-R232 PolarHBondContact O-N 2.92Å; N230-R232 VanDerWaalsContact C-N 3.28Å; N230-R232 PolarHBondContact O-N 3.45Å; R232-R234 VanDerWaalsContact C-N 3.33Å; R232-R234 PolarHBondContact O-N 3.14Å; R232-R235 PolarHBondContact O-N 3.19Å; R232-Q236 WeakPolarHBondContact O-CG 3.45Å; R232-Q236 PolarHBondContact O-N 2.9Å
233	Y	53.7	Low	60.5	Low	138 Å²	138	113.9 Å²	113.9	54%	0.541	57%	0.573	S	S	.	*	H	α-helix	trans	-58.1	-46.3	174.4	-175.6	-107.2	0	0	0	111.2	A229 N230 R235 Q236 Q237	A229-Y233 PolarHBondContact O-N 3.39Å; A229-Y233 VanDerWaalsContact O-N 3.11Å; N230-Y233 PolarHBondContact O-N 2.92Å; Y233-R235 VanDerWaalsContact C-N 3.32Å; Y233-R235 PolarHBondContact O-N 3.35Å; Y233-Q236 PolarHBondContact O-N 3.39Å; Y233-Q236 VanDerWaalsContact O-N 3.14Å; Y233-Q237 VanDerWaalsContact CE1-NE2 3.28Å; Y233-Q237 PolarHBondContact O-N 3.15Å; Y233-Q237 VanDerWaalsContact O-N 3.15Å; Y233-Q237 PolarHBondContact OH-NE2 3.27Å
234	R	54.1	Low	58.4	Low	198 Å²	198	116.2 Å²	116.2	75%	0.747	59%	0.592	S	S	*	*	H	α-helix	trans	-63.8	-31.4	176.4	-166.9	172.6	-175.2	161	2.8	113.6	N230 E231 R232	N230-R234 PolarHBondContact O-N 3.03Å; E231-R234 PolarHBondContact O-N 3.46Å; R232-R234 VanDerWaalsContact C-N 3.33Å; R232-R234 PolarHBondContact O-N 3.14Å
235	R	54.2	Low	56.6	Low	210 Å²	210	118.8 Å²	118.8	79%	0.792	61%	0.612	S	S	*	*	H	α-helix	trans	-73.6	-37.9	170.6	-84.4	-172.3	173.6	-126.4	1.6	113	E231 R232 Y233 Q237 N238	E231-R235 PolarHBondContact O-N 2.98Å; R232-R235 PolarHBondContact O-N 3.19Å; Y233-R235 VanDerWaalsContact C-N 3.32Å; Y233-R235 PolarHBondContact O-N 3.35Å; R235-Q237 VanDerWaalsContact C-N 3.34Å; R235-Q237 PolarHBondContact O-N 3.29Å; R235-N238 PolarHBondContact O-N 2.87Å
236	Q	53.1	Low	55.1	Low	121 Å²	121	123.2 Å²	123.2	57%	0.565	63%	0.634	S	S	*	*	H	α-helix	trans	-70.7	-27.3	-177.4	-75.4	-179.7	-68.7	0	0	113.3	R232 Y233 N238 T239	R232-Q236 WeakPolarHBondContact O-CG 3.45Å; R232-Q236 PolarHBondContact O-N 2.9Å; Y233-Q236 PolarHBondContact O-N 3.39Å; Y233-Q236 VanDerWaalsContact O-N 3.14Å; Q236-N238 PolarHBondContact O-N 3Å; Q236-N238 VanDerWaalsContact O-N 3.1Å; Q236-T239 CarbonylContact O-C 3.54Å; Q236-T239 PolarHBondContact O-N 3.02Å
237	Q	54.3	Low	54	Low	125 Å²	125	127.1 Å²	127.1	58%	0.584	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.7	-19.3	172.2	-73.2	-176.2	-21.5	0	0	113.8	Y233 R235	Y233-Q237 VanDerWaalsContact CE1-NE2 3.28Å; Y233-Q237 PolarHBondContact O-N 3.15Å; Y233-Q237 VanDerWaalsContact O-N 3.15Å; Y233-Q237 PolarHBondContact OH-NE2 3.27Å; R235-Q237 VanDerWaalsContact C-N 3.34Å; R235-Q237 PolarHBondContact O-N 3.29Å
238	N	48.3	Very low	53.4	Low	142 Å²	142	127.8 Å²	127.8	76%	0.759	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.4	9.3	175.6	-70.1	10.5	0	0	0	113.8	R235 Q236	R235-N238 PolarHBondContact O-N 2.87Å; Q236-N238 PolarHBondContact O-N 3Å; Q236-N238 VanDerWaalsContact O-N 3.1Å
239	T	47.5	Very low	53.6	Low	93 Å²	93	126.4 Å²	126.4	57%	0.571	66%	0.657	S	S	*	*			trans	-151.5	103.6	175.4	-67.7	0	0	0	0	111.4	Q236 Q241	Q236-T239 CarbonylContact O-C 3.54Å; Q236-T239 PolarHBondContact O-N 3.02Å; T239-Q241 PolarHBondContact O-N 3.11Å
240	T	47.5	Very low	53.9	Low	146 Å²	146	126.4 Å²	126.4	90%	0.896	65%	0.652	S	S	*	*			trans	-76.7	78.1	175.9	35.5	0	0	0	0	112
241	Q	47.9	Very low	54.6	Low	169 Å²	169	124.7 Å²	124.7	79%	0.79	64%	0.641	S	S	*	*			trans	-133.6	134.8	164.4	-70.6	-163.5	7	0	0	113.5	T239	T239-Q241 PolarHBondContact O-N 3.11Å
242	S	46.8	Very low	55.5	Low	128 Å²	128	122.3 Å²	122.3	90%	0.895	63%	0.627	S	S	*	*			trans	-14.8	122.5	166.7	-172.6	0	0	0	0	116.8
243	S	43.8	Very low	57	Low	100 Å²	100	116.9 Å²	116.9	70%	0.699	61%	0.609	S	S	*	*			trans	-112.4	108.3	171.3	57.4	0	0	0	0	112
244	S	42.1	Very low	58.7	Low	76 Å²	76	111.7 Å²	111.7	53%	0.531	59%	0.59	S	S	.	*			trans	-70	154.9	158.3	55	0	0	0	0	110.8	Q246	S244-Q246 PolarHBondContact O-N 3.33Å
245	P	46.7	Very low	60.4	Low	127 Å²	127	107.7 Å²	107.7	83%	0.825	58%	0.579	S	S	*	*			trans	-63.9	103.1	179.9	25.1	-33.9	0	0	0	111.1	T247	P245-T247 PolarHBondContact O-N 3.21Å
246	Q	51.3	Low	62.3	Low	160 Å²	160	100.4 Å²	100.4	75%	0.748	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-68.4	116.3	177.9	-68.4	-68.7	-56.7	0	0	109.9	S244 I248	S244-Q246 PolarHBondContact O-N 3.33Å; Q246-I248 PolarHBondContact O-N 3.36Å
247	T	56.6	Low	64.2	Low	133 Å²	133	94.7 Å²	94.7	82%	0.816	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-60	122	174	-37	0	0	0	0	109.6	P245 P249	P245-T247 PolarHBondContact O-N 3.21Å; T247-P249 WeakPolarHBondContact O-CD 3.47Å
248	I	62.6	Low	66.2	Low	121 Å²	121	91.4 Å²	91.4	62%	0.621	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-61.9	122.2	179.6	-58.5	177	0	0	0	108.3	Q246 R252	Q246-I248 PolarHBondContact O-N 3.36Å; I248-R252 HydrophobicContact CG2-CB 3.89Å
249	P	75.1	Confident	68.5	Low	52 Å²	52	90.8 Å²	90.8	34%	0.338	51%	0.506	S	S	.	.	P	Polyproline II helix	trans	-60.3	140.2	175.1	-23	34.5	0	0	0	110.1	T247 E251 R252	T247-P249 WeakPolarHBondContact O-CD 3.47Å; P249-E251 WeakPolarHBondContact CB-OE2 3.33Å; P249-E251 PolarHBondContact O-N 2.99Å; P249-R252 PolarHBondContact O-N 3.37Å
250	P	71	Confident	70.8	Confident	56 Å²	56	86.8 Å²	86.8	36%	0.364	48%	0.481	S	S	.	.	G	3₁₀ helix	trans	-58.6	-25.2	-173.5	23.8	-34.4	0	0	0	113.1	R252 S253 L256 A506 H510	P250-R252 PolarHBondContact O-N 3.17Å; P250-R252 VanDerWaalsContact O-N 3.14Å; P250-S253 PolarHBondContact O-N 3.46Å; P250-L256 HydrophobicContact CB-CD1 3.92Å; P250-A506 HydrophobicContact CB-CB 4.11Å; P250-A506 HydrophobicContact CG-CB 4.41Å; P250-H510 PolarHBondContact O-NE2 2.88Å
251	E	74.3	Confident	73.2	Confident	49 Å²	49	79.9 Å²	79.9	23%	0.229	44%	0.438	C	S	.	.	G	3₁₀ helix	trans	-67	-4	173.1	-49.7	85.8	170.1	0	0	114.2	P249 K509	P249-E251 WeakPolarHBondContact CB-OE2 3.33Å; P249-E251 PolarHBondContact O-N 2.99Å; E251-K509 HydrophobicContact CG-CB 4.02Å; E251-K509 HydrophobicContact CG-CD 3.47Å; E251-K509 VanDerWaalsContact CG-CD 3.47Å; E251-K509 HydrophobicContact CG-CG 4.42Å; E251-K509 VanDerWaalsContact OE1-CD 3.25Å; E251-K509 WeakPolarHBondContact OE1-CD 3.47Å; E251-K509 IonicContact OE1-NZ 2.99Å; E251-K509 PolarHBondContact OE1-NZ 3.46Å
252	R	77.3	Confident	75.6	Confident	92 Å²	92	74.5 Å²	74.5	35%	0.347	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	-124.9	3	177	-67.2	-170.5	175.7	80.2	6.7	113.7	I248 P249 P250	I248-R252 HydrophobicContact CG2-CB 3.89Å; P249-R252 PolarHBondContact O-N 3.37Å; P250-R252 PolarHBondContact O-N 3.17Å; P250-R252 VanDerWaalsContact O-N 3.14Å
253	S	88	Confident	78	Confident	19 Å²	19	69.9 Å²	69.9	13%	0.133	39%	0.387	C	S	.	.			trans	-66.3	136.7	162.8	167.6	0	0	0	0	108.6	P250 E255 L256 H510	P250-S253 PolarHBondContact O-N 3.46Å; S253-E255 WeakPolarHBondContact CA-OE2 3.22Å; S253-E255 WeakPolarHBondContact CB-OE2 3.21Å; S253-E255 PolarHBondContact OG-N 3.48Å; S253-E255 PolarHBondContact OG-OE2 3.46Å; S253-L256 WeakPolarHBondContact OG-CG 3.45Å; S253-L256 PolarHBondContact OG-N 3.18Å; S253-H510 PolarHBondContact O-CE1 3.36Å
254	E	89.8	Confident	80.6	Confident	29 Å²	29	65.3 Å²	65.3	14%	0.136	36%	0.355	C	S	.	.	S	Bend	trans	-95.7	-26	177.1	171.3	-176.6	157.9	0	0	111	F221 T222 K225 C257 K258	F221-E254 HydrophobicContact CE1-CB 4.4Å; T222-E254 VanDerWaalsContact CG2-CD 3.46Å; T222-E254 HydrophobicContact CG2-CG 4.5Å; T222-E254 VanDerWaalsContact CG2-OE2 3.25Å; T222-E254 WeakPolarHBondContact CG2-OE2 3.25Å; T222-E254 PolarHBondContact OG1-OE1 3.34Å; K225-E254 HydrophobicContact CD-CB 4.42Å; K225-E254 IonicContact NZ-OE2 3.69Å; K225-E254 PolarHBondContact NZ-OE2 3.15Å; E254-C257 WeakPolarHBondContact O-CB 3.27Å; E254-C257 PolarHBondContact O-N 3.17Å; E254-K258 HydrophobicContact CG-CD 4.33Å; E254-K258 WeakPolarHBondContact O-CG 3.4Å; E254-K258 PolarHBondContact O-N 3.46Å; E254-K258 WeakPolarHBondContact OE1-CE 3.38Å; E254-K258 IonicContact OE1-NZ 3.41Å; E254-K258 PolarHBondContact OE1-NZ 2.99Å
255	E	90.6	Very high	83.3	Confident	113 Å²	113	63.2 Å²	63.2	53%	0.528	34%	0.335	S	S	.	.	H	α-helix	trans	-60.2	-53.6	170.5	-48.3	72.7	-158.5	0	0	109.1	S253 C257 K258 E259	S253-E255 WeakPolarHBondContact CA-OE2 3.22Å; S253-E255 WeakPolarHBondContact CB-OE2 3.21Å; S253-E255 PolarHBondContact OG-N 3.48Å; S253-E255 PolarHBondContact OG-OE2 3.46Å; E255-C257 PolarHBondContact O-N 3.34Å; E255-K258 PolarHBondContact O-N 3.24Å; E255-E259 WeakPolarHBondContact O-CB 3.38Å; E255-E259 WeakPolarHBondContact O-CG 3.46Å; E255-E259 PolarHBondContact O-N 2.79Å
256	L	92.9	Very high	85.7	Confident	58 Å²	58	60.1 Å²	60.1	30%	0.304	31%	0.311	S	S	.	.	H	α-helix	trans	-63.4	-26.5	173.8	-67	-179.6	0	0	0	113.5	P250 S253 M260	P250-L256 HydrophobicContact CB-CD1 3.92Å; S253-L256 WeakPolarHBondContact OG-CG 3.45Å; S253-L256 PolarHBondContact OG-N 3.18Å; L256-M260 WeakPolarHBondContact O-CB 3.24Å; L256-M260 PolarHBondContact O-N 3.28Å
257	C	94.8	Very high	87.9	Confident	0 Å²	0	54 Å²	54	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-70.8	-48.5	174	-175	0	0	0	0	110.3	Y217 F221 E254 E255 M260 V261	Y217-C257 WeakPolarHBondContact CE1-SG 3.33Å; F221-C257 HydrophobicContact CD1-CB 3.96Å; F221-C257 HydrophobicContact CE1-CB 3.79Å; F221-C257 HydrophobicContact CG-CB 4.42Å; F221-C257 HydrophobicContact CZ-CB 4.09Å; E254-C257 WeakPolarHBondContact O-CB 3.27Å; E254-C257 PolarHBondContact O-N 3.17Å; E255-C257 PolarHBondContact O-N 3.34Å; C257-M260 PolarHBondContact O-N 3.02Å; C257-V261 WeakPolarHBondContact O-CB 3.22Å; C257-V261 WeakPolarHBondContact O-CG2 3.4Å; C257-V261 PolarHBondContact O-N 3.37Å
258	K	95.3	Very high	89.9	Confident	57 Å²	57	47.7 Å²	47.7	25%	0.248	25%	0.246	C	C	.	.	H	α-helix	trans	-62.4	-42.7	175.7	-69.4	170.1	-174.9	170.5	0	111.7	V218 E254 E255 V261 D262 W458	V218-K258 HydrophobicContact CG1-CD 4.38Å; V218-K258 HydrophobicContact CG1-CG 3.82Å; V218-K258 HydrophobicContact CG2-CG 4.42Å; E254-K258 HydrophobicContact CG-CD 4.33Å; E254-K258 WeakPolarHBondContact O-CG 3.4Å; E254-K258 PolarHBondContact O-N 3.46Å; E254-K258 WeakPolarHBondContact OE1-CE 3.38Å; E254-K258 IonicContact OE1-NZ 3.41Å; E254-K258 PolarHBondContact OE1-NZ 2.99Å; E255-K258 PolarHBondContact O-N 3.24Å; K258-V261 PolarHBondContact O-N 2.92Å; K258-D262 PolarHBondContact O-N 2.77Å; K258-W458 HydrophobicContact CB-CZ2 4.18Å; K258-W458 HydrophobicContact CD-CZ2 3.96Å; K258-W458 HydrophobicContact CG-CH2 4.14Å; K258-W458 HydrophobicContact CG-CZ2 3.7Å
259	E	96.2	Very high	91.5	Very high	129 Å²	129	42.8 Å²	42.8	60%	0.603	22%	0.221	S	C	*	.	H	α-helix	trans	-60.1	-46.2	173.8	-75.3	175.2	-153.3	0	0	112.7	E255 V261 G263	E255-E259 WeakPolarHBondContact O-CB 3.38Å; E255-E259 WeakPolarHBondContact O-CG 3.46Å; E255-E259 PolarHBondContact O-N 2.79Å; E259-V261 VanDerWaalsContact C-N 3.27Å; E259-V261 PolarHBondContact O-N 2.99Å; E259-G263 PolarHBondContact O-N 2.85Å
260	M	97.2	Very high	92.5	Very high	9 Å²	9	47.7 Å²	47.7	4%	0.044	24%	0.238	C	C	.	.	H	α-helix	trans	-59.9	-41.9	174.4	177.5	-161.7	68.4	0	0	111	Y217 L256 C257 G263 L264 L507 H510 L511 F514	Y217-M260 HydrophobicContact CD1-CE 4.47Å; Y217-M260 HydrophobicContact CE1-CE 3.71Å; L256-M260 WeakPolarHBondContact O-CB 3.24Å; L256-M260 PolarHBondContact O-N 3.28Å; C257-M260 PolarHBondContact O-N 3.02Å; M260-G263 CarbonylContact O-C 3.51Å; M260-G263 WeakPolarHBondContact O-CA 3.46Å; M260-G263 PolarHBondContact O-N 2.83Å; M260-L264 HydrophobicContact CE-CD1 4.12Å; M260-L264 HydrophobicContact CG-CD1 4.21Å; M260-L264 HydrophobicContact CG-CG 4.42Å; M260-L264 WeakPolarHBondContact O-CG 3.38Å; M260-L264 PolarHBondContact O-N 3.24Å; M260-L264 HydrophobicContact SD-CD1 4.36Å; M260-L507 HydrophobicContact CB-CD1 4.16Å; M260-L507 HydrophobicContact CG-CD1 3.77Å; M260-H510 HydrophobicContact CE-CB 4.16Å; M260-H510 HydrophobicContact CG-CB 4.49Å; M260-H510 HydrophobicContact SD-CB 3.38Å; M260-H510 WeakPolarHBondContact SD-CB 3.48Å; M260-L511 HydrophobicContact CG-CD2 3.89Å; M260-L511 HydrophobicContact CG-CG 4.34Å; M260-L511 HydrophobicContact SD-CB 4.34Å; M260-L511 HydrophobicContact SD-CD2 3.57Å; M260-L511 VanDerWaalsContact SD-CD2 3.57Å; M260-L511 HydrophobicContact SD-CG 3.77Å; M260-L511 PolarHBondContact SD-N 3.36Å; M260-F514 HydrophobicContact CE-CB 4.12Å
261	V	97.9	Very high	93.7	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-69	-43	-172.9	168.1	0	0	0	0	112	L214 Y217 V218 C257 K258 E259 L264 R265 L460	L214-V261 HydrophobicContact CB-CG1 3.62Å; L214-V261 HydrophobicContact CD1-CG1 4.25Å; L214-V261 HydrophobicContact CD2-CG1 4.07Å; L214-V261 HydrophobicContact CG-CG1 4.16Å; Y217-V261 HydrophobicContact CD1-CG2 3.76Å; Y217-V261 HydrophobicContact CE1-CG2 4.1Å; V218-V261 HydrophobicContact CG2-CB 4.08Å; V218-V261 HydrophobicContact CG2-CG1 3.96Å; V218-V261 HydrophobicContact CG2-CG2 3.79Å; C257-V261 WeakPolarHBondContact O-CB 3.22Å; C257-V261 WeakPolarHBondContact O-CG2 3.4Å; C257-V261 PolarHBondContact O-N 3.37Å; K258-V261 PolarHBondContact O-N 2.92Å; E259-V261 VanDerWaalsContact C-N 3.27Å; E259-V261 PolarHBondContact O-N 2.99Å; V261-L264 PolarHBondContact O-N 2.83Å; V261-R265 PolarHBondContact O-N 3.15Å; V261-L460 HydrophobicContact CG1-CD1 3.86Å; V261-L460 HydrophobicContact CG1-CD2 4.22Å
262	D	97.4	Very high	94.8	Very high	56 Å²	56	43.4 Å²	43.4	30%	0.299	21%	0.214	S	C	.	.	H	α-helix	trans	-68.3	-37.2	169.7	-175.3	44.7	0	0	0	111.5	K258 L264 R265 I266 L460	K258-D262 PolarHBondContact O-N 2.77Å; D262-L264 VanDerWaalsContact C-N 3.28Å; D262-L264 PolarHBondContact O-N 2.82Å; D262-R265 WeakPolarHBondContact O-CB 3.46Å; D262-R265 PolarHBondContact O-N 2.83Å; D262-R265 IonicContact OD1-CZ 3.35Å; D262-R265 IonicContact OD1-NH1 2.73Å; D262-R265 PolarHBondContact OD1-NH1 3.47Å; D262-I266 WeakPolarHBondContact O-CB 3.44Å; D262-I266 WeakPolarHBondContact O-CG1 3.36Å; D262-I266 PolarHBondContact O-N 3.24Å; D262-I266 VanDerWaalsContact OD2-CD1 3.31Å; D262-I266 WeakPolarHBondContact OD2-CD1 3.46Å; D262-L460 HydrophobicContact CB-CD1 3.94Å
263	G	97.8	Very high	95.6	Very high	31 Å²	31	40.8 Å²	40.8	32%	0.32	21%	0.209	S	C	.	.	H	α-helix	trans	-54.7	-41	171.2	0	0	0	0	0	113.4	E259 M260 T267	E259-G263 PolarHBondContact O-N 2.85Å; M260-G263 CarbonylContact O-C 3.51Å; M260-G263 WeakPolarHBondContact O-CA 3.46Å; M260-G263 PolarHBondContact O-N 2.83Å; G263-T267 VanDerWaalsContact O-CB 3.26Å; G263-T267 WeakPolarHBondContact O-CB 3.41Å; G263-T267 PolarHBondContact O-N 3.16Å; G263-T267 PolarHBondContact O-OG1 3.4Å
264	L	98.4	Very high	95.9	Very high	5 Å²	5	46.8 Å²	46.8	3%	0.026	24%	0.236	C	C	.	.	H	α-helix	trans	-65.9	-44	173.1	-79	169.8	0	0	0	111.8	L214 M260 V261 D262 T267 F268 L486 F487 L490 L511 F514	L214-L264 HydrophobicContact CD2-CB 4.39Å; L214-L264 HydrophobicContact CD2-CD1 4.23Å; M260-L264 HydrophobicContact CE-CD1 4.12Å; M260-L264 HydrophobicContact CG-CD1 4.21Å; M260-L264 HydrophobicContact CG-CG 4.42Å; M260-L264 WeakPolarHBondContact O-CG 3.38Å; M260-L264 PolarHBondContact O-N 3.24Å; M260-L264 HydrophobicContact SD-CD1 4.36Å; V261-L264 PolarHBondContact O-N 2.83Å; D262-L264 VanDerWaalsContact C-N 3.28Å; D262-L264 PolarHBondContact O-N 2.82Å; L264-T267 PolarHBondContact O-N 2.74Å; L264-F268 WeakPolarHBondContact O-CB 3.29Å; L264-F268 PolarHBondContact O-N 3.1Å; L264-L486 HydrophobicContact CD2-CD2 4.13Å; L264-F487 HydrophobicContact CD1-CZ 3.93Å; L264-F487 HydrophobicContact CD2-CE1 4.29Å; L264-F487 HydrophobicContact CD2-CE2 4.21Å; L264-F487 HydrophobicContact CD2-CZ 3.66Å; L264-F487 HydrophobicContact CG-CZ 4.48Å; L264-L490 HydrophobicContact CD2-CD2 4Å; L264-L511 HydrophobicContact CD1-CD2 4.01Å; L264-L511 HydrophobicContact CD2-CD2 3.79Å; L264-L511 HydrophobicContact CG-CD2 4.08Å; L264-F514 HydrophobicContact CD1-CD1 4.44Å
265	R	97.8	Very high	96.2	Very high	31 Å²	31	49.6 Å²	49.6	12%	0.117	25%	0.251	C	S	.	.	H	α-helix	trans	-60.4	-49.5	178.1	-167.1	-121.1	83.3	-145	15.3	111.7	V211 L214 V261 D262 F268 D269 L460	V211-R265 HydrophobicContact CG2-CG 4.41Å; L214-R265 HydrophobicContact CD1-CB 3.79Å; L214-R265 HydrophobicContact CD1-CG 4.33Å; V261-R265 PolarHBondContact O-N 3.15Å; D262-R265 WeakPolarHBondContact O-CB 3.46Å; D262-R265 PolarHBondContact O-N 2.83Å; D262-R265 IonicContact OD1-CZ 3.35Å; D262-R265 IonicContact OD1-NH1 2.73Å; D262-R265 PolarHBondContact OD1-NH1 3.47Å; R265-F268 PolarHBondContact O-N 3.2Å; R265-D269 IonicContact CZ-OD2 2.83Å; R265-D269 VanDerWaalsContact CZ-OD2 3.27Å; R265-D269 IonicContact NE-OD2 2.77Å; R265-D269 PolarHBondContact NE-OD2 3.2Å; R265-D269 IonicContact NH2-OD2 3.24Å; R265-D269 PolarHBondContact NH2-OD2 3.34Å; R265-D269 VanDerWaalsContact O-CG 3.3Å; R265-D269 PolarHBondContact O-N 3.05Å; R265-L460 HydrophobicContact CB-CD2 4.07Å; R265-L460 HydrophobicContact CG-CD2 3.95Å
266	I	97.1	Very high	96.6	Very high	62 Å²	62	44.6 Å²	44.6	32%	0.318	23%	0.229	S	C	.	.	H	α-helix	trans	-59.8	-50.2	174.8	-65.7	168.1	0	0	0	110.5	D262 F268 D269 F270	D262-I266 WeakPolarHBondContact O-CB 3.44Å; D262-I266 WeakPolarHBondContact O-CG1 3.36Å; D262-I266 PolarHBondContact O-N 3.24Å; D262-I266 VanDerWaalsContact OD2-CD1 3.31Å; D262-I266 WeakPolarHBondContact OD2-CD1 3.46Å; I266-F268 VanDerWaalsContact C-N 3.29Å; I266-F268 PolarHBondContact O-N 3.42Å; I266-D269 PolarHBondContact O-N 3.07Å; I266-F270 HydrophobicContact CG2-CD2 3.94Å; I266-F270 HydrophobicContact CG2-CE2 3.89Å; I266-F270 VanDerWaalsContact O-CD2 3.31Å; I266-F270 WeakPolarHBondContact O-CD2 3.4Å; I266-F270 PolarHBondContact O-N 2.97Å
267	T	97.8	Very high	96.8	Very high	33 Å²	33	42.8 Å²	42.8	20%	0.202	22%	0.219	C	C	.	.	H	α-helix	trans	-61.4	-40.5	-179.1	-56.8	0	0	0	0	110.9	G263 L264 F270 T271 L486 L490 I493	G263-T267 VanDerWaalsContact O-CB 3.26Å; G263-T267 WeakPolarHBondContact O-CB 3.41Å; G263-T267 PolarHBondContact O-N 3.16Å; G263-T267 PolarHBondContact O-OG1 3.4Å; L264-T267 PolarHBondContact O-N 2.74Å; T267-F270 PolarHBondContact O-N 3Å; T267-T271 HydrophobicContact CG2-CG2 3.94Å; T267-T271 VanDerWaalsContact O-CB 3.28Å; T267-T271 WeakPolarHBondContact O-CB 3.29Å; T267-T271 WeakPolarHBondContact O-CG2 3.4Å; T267-T271 PolarHBondContact O-N 3.49Å; T267-T271 PolarHBondContact O-OG1 3.34Å; T267-L486 HydrophobicContact CG2-CD1 3.91Å; T267-L486 HydrophobicContact CG2-CD2 4.26Å; T267-L490 HydrophobicContact CG2-CD1 4.29Å; T267-I493 HydrophobicContact CG2-CD1 4.2Å
268	F	98.3	Very high	96.9	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-62.8	-45.7	177.1	-176.7	-100.1	0	0	0	112.5	V210 L264 R265 I266 F270 T271 L272 L276 P474 H482 L483 L486	V210-F268 HydrophobicContact CB-CD1 4.46Å; V210-F268 HydrophobicContact CB-CE1 4.45Å; V210-F268 HydrophobicContact CG1-CD1 4.4Å; V210-F268 HydrophobicContact CG2-CD1 3.97Å; V210-F268 HydrophobicContact CG2-CE1 3.61Å; V210-F268 HydrophobicContact CG2-CE2 4.38Å; V210-F268 HydrophobicContact CG2-CG 4.47Å; V210-F268 HydrophobicContact CG2-CZ 3.84Å; L264-F268 WeakPolarHBondContact O-CB 3.29Å; L264-F268 PolarHBondContact O-N 3.1Å; R265-F268 PolarHBondContact O-N 3.2Å; I266-F268 VanDerWaalsContact C-N 3.29Å; I266-F268 PolarHBondContact O-N 3.42Å; F268-F270 VanDerWaalsContact C-N 3.3Å; F268-F270 PolarHBondContact O-N 3.44Å; F268-T271 PolarHBondContact O-N 3.31Å; F268-L272 HydrophobicContact CE1-CD2 4.5Å; F268-L272 HydrophobicContact CE2-CD1 4.05Å; F268-L272 HydrophobicContact CZ-CB 4.38Å; F268-L272 HydrophobicContact CZ-CD1 3.88Å; F268-L272 HydrophobicContact CZ-CD2 4.29Å; F268-L272 HydrophobicContact CZ-CG 4.4Å; F268-L272 WeakPolarHBondContact O-CB 3.41Å; F268-L272 PolarHBondContact O-N 2.89Å; F268-L276 HydrophobicContact CD2-CD1 4.11Å; F268-L276 HydrophobicContact CE2-CD1 4.19Å; F268-P474 HydrophobicContact CD1-CB 4.16Å; F268-P474 HydrophobicContact CE1-CB 3.9Å; F268-H482 HydrophobicContact CE2-CB 3.76Å; F268-H482 HydrophobicContact CZ-CB 3.75Å; F268-L483 HydrophobicContact CD2-CD1 4.26Å; F268-L486 HydrophobicContact CB-CD2 4.07Å; F268-L486 HydrophobicContact CD2-CD2 4.44Å
269	D	96	Very high	96.9	Very high	18 Å²	18	48.3 Å²	48.3	10%	0.096	25%	0.253	C	S	.	.	H	α-helix	trans	-57.7	-40.5	178.4	-70.6	-30.8	0	0	0	112.4	R265 I266 P474 S475	R265-D269 IonicContact CZ-OD2 2.83Å; R265-D269 VanDerWaalsContact CZ-OD2 3.27Å; R265-D269 IonicContact NE-OD2 2.77Å; R265-D269 PolarHBondContact NE-OD2 3.2Å; R265-D269 IonicContact NH2-OD2 3.24Å; R265-D269 PolarHBondContact NH2-OD2 3.34Å; R265-D269 VanDerWaalsContact O-CG 3.3Å; R265-D269 PolarHBondContact O-N 3.05Å; I266-D269 PolarHBondContact O-N 3.07Å; D269-P474 WeakPolarHBondContact OD1-CD 3.32Å; D269-S475 WeakPolarHBondContact OD1-CB 3.25Å; D269-S475 PolarHBondContact OD1-N 3.02Å; D269-S475 PolarHBondContact OD1-OG 3.04Å; D269-S475 PolarHBondContact OD2-OG 3.13Å
270	F	95.9	Very high	96.7	Very high	154 Å²	154	44.4 Å²	44.4	68%	0.675	24%	0.24	S	C	*	.	H	α-helix	trans	-80.3	-32.2	177.4	-73.7	-68	0	0	0	114.2	I266 T267 F268	I266-F270 HydrophobicContact CG2-CD2 3.94Å; I266-F270 HydrophobicContact CG2-CE2 3.89Å; I266-F270 VanDerWaalsContact O-CD2 3.31Å; I266-F270 WeakPolarHBondContact O-CD2 3.4Å; I266-F270 PolarHBondContact O-N 2.97Å; T267-F270 PolarHBondContact O-N 3Å; F268-F270 VanDerWaalsContact C-N 3.3Å; F268-F270 PolarHBondContact O-N 3.44Å
271	T	96.9	Very high	96.5	Very high	16 Å²	16	44 Å²	44	10%	0.098	24%	0.238	C	C	.	.	H	α-helix	trans	-90.3	-28.2	-171.8	54.4	0	0	0	0	114.5	T267 F268 M274 I275 L486 I493	T267-T271 HydrophobicContact CG2-CG2 3.94Å; T267-T271 VanDerWaalsContact O-CB 3.28Å; T267-T271 WeakPolarHBondContact O-CB 3.29Å; T267-T271 WeakPolarHBondContact O-CG2 3.4Å; T267-T271 PolarHBondContact O-N 3.49Å; T267-T271 PolarHBondContact O-OG1 3.34Å; F268-T271 PolarHBondContact O-N 3.31Å; T271-M274 PolarHBondContact O-N 2.68Å; T271-M274 VanDerWaalsContact O-N 3.17Å; T271-I275 HydrophobicContact CG2-CD1 4.24Å; T271-I275 WeakPolarHBondContact O-CG1 3.28Å; T271-I275 PolarHBondContact O-N 3.16Å; T271-L486 HydrophobicContact CG2-CD1 4.48Å; T271-I493 HydrophobicContact CG2-CD1 3.7Å
272	L	97.2	Very high	96.3	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.251	C	S	.	.	I	π-helix	trans	-51.3	-58.8	179.9	-175.7	79.2	0	0	0	113	F268 M274 L276 L277 F285 P474 Y478 H482	F268-L272 HydrophobicContact CE1-CD2 4.5Å; F268-L272 HydrophobicContact CE2-CD1 4.05Å; F268-L272 HydrophobicContact CZ-CB 4.38Å; F268-L272 HydrophobicContact CZ-CD1 3.88Å; F268-L272 HydrophobicContact CZ-CD2 4.29Å; F268-L272 HydrophobicContact CZ-CG 4.4Å; F268-L272 WeakPolarHBondContact O-CB 3.41Å; F268-L272 PolarHBondContact O-N 2.89Å; L272-M274 PolarHBondContact O-N 2.87Å; L272-L276 HydrophobicContact CD1-CB 4.08Å; L272-L276 PolarHBondContact O-N 3.31Å; L272-L277 HydrophobicContact CD1-CD2 3.85Å; L272-L277 HydrophobicContact CD1-CG 4.1Å; L272-L277 HydrophobicContact CG-CD1 4.36Å; L272-L277 HydrophobicContact CG-CD2 4.13Å; L272-L277 HydrophobicContact CG-CG 4.06Å; L272-L277 WeakPolarHBondContact O-CG 3.23Å; L272-F285 HydrophobicContact CD2-CD2 4.41Å; L272-F285 HydrophobicContact CD2-CE2 4.44Å; L272-P474 HydrophobicContact CB-CB 4.17Å; L272-P474 HydrophobicContact CD2-CB 3.69Å; L272-P474 HydrophobicContact CD2-CG 4.31Å; L272-Y478 HydrophobicContact CD2-CD1 4.03Å; L272-Y478 HydrophobicContact CD2-CD2 3.27Å; L272-Y478 HydrophobicContact CD2-CE1 4.14Å; L272-Y478 HydrophobicContact CD2-CE2 3.43Å; L272-Y478 VanDerWaalsContact CD2-CE2 3.43Å; L272-Y478 HydrophobicContact CD2-CG 3.61Å; L272-H482 HydrophobicContact CD1-CB 3.8Å
273	P	95	Very high	96	Very high	37 Å²	37	47.1 Å²	47.1	24%	0.24	26%	0.261	C	S	.	.	I	π-helix	trans	-61.4	-27.4	-177.6	22.9	-33.9	0	0	0	113.6	F285	P273-F285 HydrophobicContact CB-CE1 3.88Å; P273-F285 HydrophobicContact CB-CE2 4.33Å; P273-F285 HydrophobicContact CB-CZ 3.68Å; P273-F285 HydrophobicContact CG-CZ 4.4Å
274	M	94.6	Very high	95.7	Very high	144 Å²	144	45.8 Å²	45.8	71%	0.709	25%	0.247	S	C	*	.	I	π-helix	trans	-89.4	-45.2	-169.8	-60	-51	-54.1	0	0	113.7	T271 L272	T271-M274 PolarHBondContact O-N 2.68Å; T271-M274 VanDerWaalsContact O-N 3.17Å; L272-M274 PolarHBondContact O-N 2.87Å
275	I	96.1	Very high	95.4	Very high	88 Å²	88	47 Å²	47	45%	0.451	25%	0.252	S	S	.	.	I	π-helix	trans	-141.5	-4.5	-165	60.9	171.1	0	0	0	116.2	T271 K489 I493	T271-I275 HydrophobicContact CG2-CD1 4.24Å; T271-I275 WeakPolarHBondContact O-CG1 3.28Å; T271-I275 PolarHBondContact O-N 3.16Å; I275-K489 HydrophobicContact CD1-CB 4.01Å; I275-K489 HydrophobicContact CD1-CG 4.2Å; I275-I493 HydrophobicContact CD1-CD1 4.27Å
276	L	97.7	Very high	95.1	Very high	9 Å²	9	52.1 Å²	52.1	5%	0.047	28%	0.275	C	S	.	.	I	π-helix	trans	-107.9	-10.2	-176.3	-50.4	-178.9	0	0	0	114.5	F268 L272 R485 L486 K489	F268-L276 HydrophobicContact CD2-CD1 4.11Å; F268-L276 HydrophobicContact CE2-CD1 4.19Å; L272-L276 HydrophobicContact CD1-CB 4.08Å; L272-L276 PolarHBondContact O-N 3.31Å; L276-R485 HydrophobicContact CD2-CB 4.43Å; L276-R485 VanDerWaalsContact O-CD 3.25Å; L276-R485 WeakPolarHBondContact O-CD 3.19Å; L276-R485 PolarHBondContact O-NH1 3.03Å; L276-L486 HydrophobicContact CD1-CB 3.86Å; L276-L486 HydrophobicContact CD1-CD1 4.31Å; L276-K489 HydrophobicContact CD2-CB 4.13Å; L276-K489 HydrophobicContact CD2-CG 4.13Å
277	L	97.4	Very high	94.6	Very high	20 Å²	20	51.8 Å²	51.8	11%	0.105	27%	0.271	C	S	.	.	S	Bend	trans	-92.9	131.1	178.9	-66.7	172.4	0	0	0	111.9	L272 E281 F285 Y478	L272-L277 HydrophobicContact CD1-CD2 3.85Å; L272-L277 HydrophobicContact CD1-CG 4.1Å; L272-L277 HydrophobicContact CG-CD1 4.36Å; L272-L277 HydrophobicContact CG-CD2 4.13Å; L272-L277 HydrophobicContact CG-CG 4.06Å; L272-L277 WeakPolarHBondContact O-CG 3.23Å; L277-E281 HydrophobicContact CB-CB 4.38Å; L277-E281 HydrophobicContact CD2-CB 3.97Å; L277-F285 HydrophobicContact CD1-CB 3.62Å; L277-F285 HydrophobicContact CD1-CD1 4.3Å; L277-F285 HydrophobicContact CD1-CD2 3.89Å; L277-F285 HydrophobicContact CD1-CG 3.66Å; L277-Y478 HydrophobicContact CD2-CE1 4.29Å
278	Y	97	Very high	94.1	Very high	58 Å²	58	50.6 Å²	50.6	23%	0.227	26%	0.264	C	S	.	.			trans	-68	154.4	168.7	-66	-67.3	0	0	0	111	C192 I195 N196 C280 E281	C192-Y278 WeakPolarHBondContact CB-OH 3.46Å; I195-Y278 HydrophobicContact CB-CD2 4.18Å; I195-Y278 HydrophobicContact CD1-CD2 4.07Å; I195-Y278 HydrophobicContact CD1-CE2 4.29Å; I195-Y278 HydrophobicContact CG2-CD2 3.76Å; I195-Y278 HydrophobicContact CG2-CG 4.2Å; N196-Y278 WeakPolarHBondContact ND2-CD1 3.24Å; N196-Y278 WeakPolarHBondContact ND2-CE1 3.37Å; Y278-C280 PolarHBondContact O-N 3.25Å; Y278-E281 WeakPolarHBondContact CD2-OE2 3.34Å; Y278-E281 PolarHBondContact N-OE2 3Å; Y278-E281 PolarHBondContact O-N 3.24Å
279	P	94.9	Very high	93.4	Very high	114 Å²	114	52.6 Å²	52.6	74%	0.74	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-26.2	-176.1	-29.1	36.2	0	0	0	115.5
280	C	91.5	Very high	92.6	Very high	48 Å²	48	56.7 Å²	56.7	32%	0.324	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-20	177.1	47.7	0	0	0	0	114.4	I195 Y278	I195-C280 WeakPolarHBondContact CG2-SG 3.23Å; Y278-C280 PolarHBondContact O-N 3.25Å
281	E	94.6	Very high	91.3	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-19.7	174.6	-64.2	171.8	119	0	0	112.1	I195 L201 L277 Y278 A283 Q284 F285 H482 R485	I195-E281 WeakPolarHBondContact CD1-OE1 3.13Å; I195-E281 HydrophobicContact CG2-CG 4.13Å; L201-E281 HydrophobicContact CD2-CG 3.9Å; L277-E281 HydrophobicContact CB-CB 4.38Å; L277-E281 HydrophobicContact CD2-CB 3.97Å; Y278-E281 WeakPolarHBondContact CD2-OE2 3.34Å; Y278-E281 PolarHBondContact N-OE2 3Å; Y278-E281 PolarHBondContact O-N 3.24Å; E281-A283 PolarHBondContact O-N 3.47Å; E281-Q284 WeakPolarHBondContact O-CA 3.23Å; E281-Q284 WeakPolarHBondContact O-CB 3.43Å; E281-Q284 PolarHBondContact O-N 3.5Å; E281-F285 PolarHBondContact O-N 2.92Å; E281-H482 IonicContact OE1-CD2 2.64Å; E281-H482 IonicContact OE1-CE1 2.72Å; E281-H482 IonicContact OE1-NE2 3.69Å; E281-H482 PolarHBondContact OE1-NE2 3.34Å; E281-R485 VanDerWaalsContact CD-NH1 3.34Å; E281-R485 IonicContact OE1-CZ 3.11Å; E281-R485 IonicContact OE1-NH1 3.12Å; E281-R485 PolarHBondContact OE1-NH1 3.29Å; E281-R485 VanDerWaalsContact OE1-NH1 3.16Å; E281-R485 IonicContact OE1-NH2 3.5Å; E281-R485 PolarHBondContact OE1-NH2 3.43Å; E281-R485 IonicContact OE2-CZ 2.69Å; E281-R485 IonicContact OE2-NH1 3.81Å; E281-R485 PolarHBondContact OE2-NH1 3.2Å; E281-R485 IonicContact OE2-NH2 3.73Å
282	Q	93	Very high	89.4	Confident	60 Å²	60	59.8 Å²	59.8	28%	0.28	32%	0.318	S	S	.	.	H	α-helix	trans	-56.8	-33.7	-178.1	-72.9	-71.5	-13	0	0	113.6	K286	Q282-K286 WeakPolarHBondContact O-CG 3.43Å; Q282-K286 PolarHBondContact O-N 3.43Å; Q282-K286 VanDerWaalsContact O-N 3.17Å
283	A	91.4	Very high	87	Confident	62 Å²	62	65.9 Å²	65.9	51%	0.512	35%	0.35	S	S	.	.	H	α-helix	trans	-70.6	-36.3	174.6	0	0	0	0	0	112.5	E281 K287	E281-A283 PolarHBondContact O-N 3.47Å; A283-K287 WeakPolarHBondContact O-CB 3.44Å; A283-K287 PolarHBondContact O-N 3.03Å
284	Q	92.2	Very high	84.9	Confident	2 Å²	2	67.4 Å²	67.4	1%	0.009	36%	0.356	C	S	.	.	H	α-helix	trans	-66.9	-50.4	174.4	-174	-177.4	14.8	0	0	110.2	L201 V202 E281 K286 K287 V288 M541	L201-Q284 HydrophobicContact CD1-CB 4.36Å; V202-Q284 PolarHBondContact O-NE2 2.98Å; E281-Q284 WeakPolarHBondContact O-CA 3.23Å; E281-Q284 WeakPolarHBondContact O-CB 3.43Å; E281-Q284 PolarHBondContact O-N 3.5Å; Q284-K286 PolarHBondContact O-N 3.24Å; Q284-K287 PolarHBondContact O-N 2.68Å; Q284-K287 VanDerWaalsContact O-N 3.13Å; Q284-V288 HydrophobicContact CG-CG2 4.37Å; Q284-V288 WeakPolarHBondContact O-CG2 3.32Å; Q284-V288 PolarHBondContact O-N 3.29Å; Q284-M541 HydrophobicContact CG-SD 4.08Å
285	F	91.8	Very high	82.5	Confident	32 Å²	32	64.6 Å²	64.6	14%	0.14	34%	0.343	C	S	.	.	H	α-helix	trans	-54.1	-53.3	179.3	176	-97.9	0	0	0	112	L272 P273 L277 E281 K287 V288 S289 Y478	L272-F285 HydrophobicContact CD2-CD2 4.41Å; L272-F285 HydrophobicContact CD2-CE2 4.44Å; P273-F285 HydrophobicContact CB-CE1 3.88Å; P273-F285 HydrophobicContact CB-CE2 4.33Å; P273-F285 HydrophobicContact CB-CZ 3.68Å; P273-F285 HydrophobicContact CG-CZ 4.4Å; L277-F285 HydrophobicContact CD1-CB 3.62Å; L277-F285 HydrophobicContact CD1-CD1 4.3Å; L277-F285 HydrophobicContact CD1-CD2 3.89Å; L277-F285 HydrophobicContact CD1-CG 3.66Å; E281-F285 PolarHBondContact O-N 2.92Å; F285-K287 VanDerWaalsContact C-N 3.28Å; F285-K287 PolarHBondContact O-N 2.75Å; F285-V288 PolarHBondContact O-N 2.82Å; F285-S289 WeakPolarHBondContact CE2-OG 3.47Å; F285-S289 WeakPolarHBondContact CZ-OG 3.47Å; F285-S289 PolarHBondContact O-N 3.25Å; F285-S289 PolarHBondContact O-OG 3.37Å; F285-Y478 WeakPolarHBondContact CA-OH 3.32Å; F285-Y478 HydrophobicContact CD2-CE2 4.13Å
286	K	90.6	Very high	79.5	Confident	138 Å²	138	66.4 Å²	66.4	60%	0.6	36%	0.359	S	S	*	.	H	α-helix	trans	-53.5	-45	177	-72.7	176.3	-178.8	-175.9	0	112.1	Q282 Q284 S290	Q282-K286 WeakPolarHBondContact O-CG 3.43Å; Q282-K286 PolarHBondContact O-N 3.43Å; Q282-K286 VanDerWaalsContact O-N 3.17Å; Q284-K286 PolarHBondContact O-N 3.24Å; K286-S290 WeakPolarHBondContact O-CB 3.38Å; K286-S290 PolarHBondContact O-N 2.78Å; K286-S290 PolarHBondContact O-OG 3.49Å; K286-S290 VanDerWaalsContact O-OG 3.1Å
287	K	87.6	Confident	76.9	Confident	54 Å²	54	70.7 Å²	70.7	24%	0.235	39%	0.385	C	S	.	.	H	α-helix	trans	-66.9	-37.1	178.6	-173.4	-169.7	165.2	-157.7	0	112.6	A283 Q284 F285 S291 H538 M541	A283-K287 WeakPolarHBondContact O-CB 3.44Å; A283-K287 PolarHBondContact O-N 3.03Å; Q284-K287 PolarHBondContact O-N 2.68Å; Q284-K287 VanDerWaalsContact O-N 3.13Å; F285-K287 VanDerWaalsContact C-N 3.28Å; F285-K287 PolarHBondContact O-N 2.75Å; K287-S291 WeakPolarHBondContact O-CB 3.15Å; K287-S291 PolarHBondContact O-N 3.13Å; K287-S291 PolarHBondContact O-OG 3.49Å; K287-H538 PolarHBondContact NZ-O 3.22Å; K287-M541 HydrophobicContact CB-CE 3.84Å; K287-M541 HydrophobicContact CD-CE 3.56Å; K287-M541 HydrophobicContact CD-SD 3.95Å; K287-M541 HydrophobicContact CG-CE 3.57Å
288	V	85.8	Confident	74.1	Confident	8 Å²	8	76.7 Å²	76.7	5%	0.048	42%	0.417	C	S	.	.	H	α-helix	trans	-65	-54.7	174.5	180	0	0	0	0	109.7	V204 Q284 F285 S290 S291 L477 M541	V204-V288 HydrophobicContact CB-CG2 4.37Å; V204-V288 HydrophobicContact CG1-CG1 4.15Å; V204-V288 HydrophobicContact CG1-CG2 3.73Å; Q284-V288 HydrophobicContact CG-CG2 4.37Å; Q284-V288 WeakPolarHBondContact O-CG2 3.32Å; Q284-V288 PolarHBondContact O-N 3.29Å; F285-V288 PolarHBondContact O-N 2.82Å; V288-S290 VanDerWaalsContact C-N 3.31Å; V288-S290 PolarHBondContact O-N 3.35Å; V288-S291 WeakPolarHBondContact O-CB 3.47Å; V288-S291 PolarHBondContact O-N 3.47Å; V288-L477 HydrophobicContact CG1-CD1 3.6Å; V288-L477 HydrophobicContact CG1-CD2 3.83Å; V288-L477 HydrophobicContact CG1-CG 4.24Å; V288-M541 HydrophobicContact CB-CE 4.23Å; V288-M541 HydrophobicContact CG2-CE 3.39Å; V288-M541 HydrophobicContact CG2-SD 4.3Å
289	S	84.3	Confident	70.9	Confident	42 Å²	42	82.2 Å²	82.2	29%	0.294	45%	0.445	S	S	.	.	H	α-helix	trans	-64.8	-28.8	-174.9	-56.4	0	0	0	0	114.2	F285 S291	F285-S289 WeakPolarHBondContact CE2-OG 3.47Å; F285-S289 WeakPolarHBondContact CZ-OG 3.47Å; F285-S289 PolarHBondContact O-N 3.25Å; F285-S289 PolarHBondContact O-OG 3.37Å; S289-S291 VanDerWaalsContact C-N 3.35Å
290	S	80	Confident	67.8	Low	104 Å²	104	83.3 Å²	83.3	73%	0.727	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-9.5	173.1	-59.4	0	0	0	0	114.4	K286 V288 R292	K286-S290 WeakPolarHBondContact O-CB 3.38Å; K286-S290 PolarHBondContact O-N 2.78Å; K286-S290 PolarHBondContact O-OG 3.49Å; K286-S290 VanDerWaalsContact O-OG 3.1Å; V288-S290 VanDerWaalsContact C-N 3.31Å; V288-S290 PolarHBondContact O-N 3.35Å; S290-R292 PolarHBondContact O-N 3.18Å
291	S	67.4	Low	64.6	Low	33 Å²	33	85.8 Å²	85.8	23%	0.231	47%	0.468	C	S	.	.			trans	-91.8	102.1	-175.6	-65.3	0	0	0	0	112.3	K287 V288 S289 L293	K287-S291 WeakPolarHBondContact O-CB 3.15Å; K287-S291 PolarHBondContact O-N 3.13Å; K287-S291 PolarHBondContact O-OG 3.49Å; V288-S291 WeakPolarHBondContact O-CB 3.47Å; V288-S291 PolarHBondContact O-N 3.47Å; S289-S291 VanDerWaalsContact C-N 3.35Å; S291-L293 PolarHBondContact O-N 2.91Å
292	R	56.5	Low	62.1	Low	202 Å²	202	92.2 Å²	92.2	76%	0.762	51%	0.51	S	S	*	.			trans	-63.3	6	167.5	-70.9	-175.1	176.7	-107.1	3.8	114.6	S290 L294	S290-R292 PolarHBondContact O-N 3.18Å; R292-L294 PolarHBondContact O-N 3.48Å
293	L	48.5	Very low	58.8	Low	129 Å²	129	94.3 Å²	94.3	68%	0.675	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	11	-165.6	-71	169.4	0	0	0	115.4	S291	S291-L293 PolarHBondContact O-N 2.91Å
294	L	49.7	Very low	55.8	Low	68 Å²	68	96.9 Å²	96.9	36%	0.356	55%	0.545	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	14.1	-178	-63.7	177.5	0	0	0	113.8	P205 R292 P472 L477	P205-L294 HydrophobicContact CG-CD2 4.4Å; R292-L294 PolarHBondContact O-N 3.48Å; L294-P472 HydrophobicContact CD1-CG 4.03Å; L294-L477 HydrophobicContact CD1-CD2 3.46Å; L294-L477 VanDerWaalsContact CD1-CD2 3.46Å
295	L	44	Very low	52.9	Low	85 Å²	85	102.4 Å²	102.4	45%	0.445	58%	0.584	S	S	.	*	S	Bend	trans	-107	14.9	-171.9	-66.9	169.2	0	0	0	114.5	N468	L295-N468 VanDerWaalsContact CD1-O 3.23Å; L295-N468 WeakPolarHBondContact CD1-O 3.41Å
296	T	34.6	Very low	50.1	Low	126 Å²	126	108.9 Å²	108.9	77%	0.773	62%	0.62	S	S	*	*			trans	-134.2	56.3	-175.7	63.1	0	0	0	0	113.5
297	V	42.6	Very low	47.1	Very low	100 Å²	100	107.2 Å²	107.2	61%	0.606	63%	0.632	S	S	*	*	S	Bend	trans	-136.7	131.3	161.2	-178.3	0	0	0	0	107.2
298	N	37.5	Very low	44.2	Very low	145 Å²	145	113.4 Å²	113.4	78%	0.775	66%	0.662	S	S	*	*			trans	86.1	69.1	-174.4	-55.6	-13.7	0	0	0	117.1
299	E	29.6	Very low	41.5	Very low	174 Å²	174	124.2 Å²	124.2	81%	0.813	70%	0.702	S	S	*	*			trans	-141.7	96.7	140.6	-100.2	-54	161.7	0	0	109.7
300	T	30.3	Very low	38.8	Very low	137 Å²	137	130.6 Å²	130.6	84%	0.84	73%	0.727	S	S	*	*			trans	-144.9	84.8	172.3	53.6	0	0	0	0	110.5
301	S	25.4	Very low	36.4	Very low	100 Å²	100	137 Å²	137	70%	0.699	74%	0.735	S	S	*	*			trans	-124.9	128.6	160.8	-72.8	0	0	0	0	109.4
302	P	40.9	Very low	34.3	Very low	135 Å²	135	140.9 Å²	140.9	88%	0.877	76%	0.762	S	S	*	*			trans	-87.7	117.1	-175.8	32.3	-32.3	0	0	0	111.9
303	S	24.8	Very low	33.7	Very low	105 Å²	105	137.1 Å²	137.1	73%	0.734	76%	0.764	S	S	*	*			trans	-135.5	102.7	174.2	52.7	0	0	0	0	113.5
304	S	28.1	Very low	33	Very low	116 Å²	116	136.3 Å²	136.3	81%	0.811	77%	0.769	S	S	*	*			trans	28.9	103.5	145.8	57.9	0	0	0	0	118.9	N306	S304-N306 PolarHBondContact O-N 3.02Å
305	S	30.6	Very low	32.7	Very low	117 Å²	117	138.8 Å²	138.8	82%	0.818	79%	0.789	S	S	*	*			trans	-71.1	102.1	160.4	55.4	0	0	0	0	111.4
306	N	32.6	Very low	32.9	Very low	169 Å²	169	140.8 Å²	140.8	90%	0.904	81%	0.807	S	S	*	*			trans	-171.2	110.5	151.4	-102.4	-20.4	0	0	0	112.1	S304	S304-N306 PolarHBondContact O-N 3.02Å
307	A	27.6	Very low	32.8	Very low	102 Å²	102	138.5 Å²	138.5	84%	0.843	80%	0.801	S	S	*	*			trans	-154.1	127.9	161	0	0	0	0	0	108.9
308	Q	28.6	Very low	32.2	Very low	184 Å²	184	142.2 Å²	142.2	86%	0.86	81%	0.811	S	S	*	*			trans	-73.2	143.8	-178.9	-68.2	157.7	-96.3	0	0	111.2
309	R	28.3	Very low	32	Very low	236 Å²	236	142.7 Å²	142.7	89%	0.891	81%	0.814	S	S	*	*			trans	-103.1	96.5	163.2	178.9	-177.1	-79.7	-169.9	-4.7	108.7
310	E	28.3	Very low	33.2	Very low	176 Å²	176	139.8 Å²	139.8	82%	0.822	81%	0.81	S	S	*	*			trans	-70.2	134.2	165.3	-66.6	-159.2	143.1	0	0	110.5
311	R	27.8	Very low	34.5	Very low	239 Å²	239	137.9 Å²	137.9	90%	0.902	80%	0.8	S	S	*	*			trans	-160.1	125.6	158.3	-159.3	177	-171.7	-171.4	2.4	111
312	S	25	Very low	34.9	Very low	114 Å²	114	139.3 Å²	139.3	80%	0.797	81%	0.805	S	S	*	*			trans	-146.5	161	178.7	-62.7	0	0	0	0	109.5
313	P	43.5	Very low	35.4	Very low	122 Å²	122	138.2 Å²	138.2	79%	0.792	80%	0.797	S	S	*	*			cis	-126.3	178.2	-20.5	34.5	-17.1	0	0	0	113.2
314	S	32.4	Very low	35.8	Very low	112 Å²	112	142.2 Å²	142.2	78%	0.783	81%	0.805	S	S	*	*			trans	-106.6	168.1	164.3	-53.2	0	0	0	0	110.5
315	P	44.8	Very low	36.1	Very low	120 Å²	120	141.6 Å²	141.6	78%	0.779	80%	0.8	S	S	*	*				-152.5	177.7	112	38.8	-22.7	0	0	0	114.7
316	P	47.8	Very low	36.3	Very low	127 Å²	127	142.2 Å²	142.2	83%	0.825	80%	0.799	S	S	*	*			cis	-111.8	-125.2	-18.6	20	5.6	0	0	0	109.8
317	A	32	Very low	36.3	Very low	78 Å²	78	141 Å²	141	65%	0.645	79%	0.793	S	S	*	*			cis	-162.3	160.9	-5	0	0	0	0	0	113.9
318	H	30.6	Very low	36.7	Very low	179 Å²	179	141.4 Å²	141.4	83%	0.829	79%	0.789	S	S	*	*			trans	43.4	137.4	158	-70.3	-71.6	0	0	0	125.2
319	N	32.5	Very low	37	Very low	155 Å²	155	141 Å²	141	83%	0.829	79%	0.787	S	S	*	*			trans	-148.2	-172.8	171.5	-82.8	-52.4	0	0	0	106.6
320	P	55.7	Low	37.8	Very low	113 Å²	113	135.6 Å²	135.6	73%	0.734	78%	0.783	S	S	*	*			cis	-138.1	-139.9	4.4	46	-24.4	0	0	0	111.9
321	P	57	Low	37.9	Very low	97 Å²	97	131.1 Å²	131.1	63%	0.63	78%	0.776	S	S	*	*			cis	-138.2	146.2	-27.9	37.7	-18.5	0	0	0	118.4
322	T	33.8	Very low	38.2	Very low	130 Å²	130	127.8 Å²	127.8	80%	0.798	78%	0.775	S	S	*	*			trans	63.2	179.7	139	63.2	0	0	0	0	122.6
323	P	52.3	Low	38.5	Very low	111 Å²	111	126.7 Å²	126.7	72%	0.721	77%	0.767	S	S	*	*				-139.9	177.4	-63.4	42.4	-26.5	0	0	0	115.9
324	Q	32.6	Very low	37.8	Very low	190 Å²	190	127.5 Å²	127.5	89%	0.888	77%	0.765	S	S	*	*			trans	-179.6	172.3	134.9	-106.5	-176.8	-2.5	0	0	115.3
325	S	33.7	Very low	37.8	Very low	103 Å²	103	127.5 Å²	127.5	72%	0.72	76%	0.761	S	S	*	*			trans	-138.4	-162.6	-179.6	-50.4	0	0	0	0	109.7
326	T	35.3	Very low	37.3	Very low	130 Å²	130	127.5 Å²	127.5	80%	0.798	76%	0.763	S	S	*	*			cis	-175	165.8	11	11.6	0	0	0	0	105.9
327	D	33.3	Very low	36.6	Very low	144 Å²	144	126 Å²	126	77%	0.77	76%	0.762	S	S	*	*			cis	-178.5	-176.1	-24.9	-165.8	3.9	0	0	0	108.8
328	S	35.5	Very low	36.7	Very low	109 Å²	109	127.1 Å²	127.1	76%	0.762	77%	0.771	S	S	*	*			trans	88.9	149.3	160.1	-54.3	0	0	0	0	122.6
329	Q	34.1	Very low	36.8	Very low	176 Å²	176	125.3 Å²	125.3	82%	0.822	77%	0.773	S	S	*	*			trans	-88.9	170.2	167.9	-86.7	-93.9	-75.5	0	0	110.6
330	P	45.9	Very low	37.8	Very low	123 Å²	123	123.2 Å²	123.2	80%	0.799	77%	0.768	S	S	*	*				-151.8	-139.8	53.8	42.9	-18.1	0	0	0	116.2
331	A	30.3	Very low	36.7	Very low	82 Å²	82	124.6 Å²	124.6	68%	0.678	77%	0.774	S	S	*	*			trans	-147.9	177.4	-162.6	0	0	0	0	0	115.3
332	L	35	Very low	35.7	Very low	168 Å²	168	124.1 Å²	124.1	88%	0.88	78%	0.779	S	S	*	*			trans	76.7	150	174.7	-55.5	179.2	0	0	0	115.8
333	S	30.6	Very low	36.4	Very low	91 Å²	91	124.1 Å²	124.1	64%	0.636	78%	0.781	S	S	*	*			cis	-160.7	-162.9	-12.5	51.1	0	0	0	0	111.6
334	D	28.8	Very low	35.4	Very low	139 Å²	139	123.1 Å²	123.1	74%	0.743	78%	0.782	S	S	*	*			trans	83.1	151.5	160.2	-55.7	4.4	0	0	0	119.2
335	T	32.1	Very low	36.1	Very low	112 Å²	112	119.1 Å²	119.1	69%	0.687	77%	0.772	S	S	*	*			cis	-164.9	134.4	-34.6	36.9	0	0	0	0	111.8
336	S	34.3	Very low	36.4	Very low	120 Å²	120	120.5 Å²	120.5	84%	0.839	78%	0.777	S	S	*	*			trans	67.9	159.2	145.5	86.7	0	0	0	0	119.6
337	A	34.1	Very low	36.9	Very low	96 Å²	96	120.3 Å²	120.3	79%	0.793	78%	0.777	S	S	*	*			cis	-155.9	150.8	-3.6	0	0	0	0	0	111.9
338	A	33.5	Very low	37	Very low	101 Å²	101	123.5 Å²	123.5	84%	0.835	79%	0.785	S	S	*	*			trans	170.9	149.8	143.6	0	0	0	0	0	112.4
339	T	33.2	Very low	36.9	Very low	141 Å²	141	130.3 Å²	130.3	87%	0.865	79%	0.793	S	S	*	*			trans	-151.9	178.9	-172.8	7.4	0	0	0	0	109.5
340	P	53.6	Low	36.8	Very low	111 Å²	111	132 Å²	132	72%	0.721	79%	0.792	S	S	*	*			cis	-134	178	-14	38.6	-21.9	0	0	0	114.7
341	T	31.2	Very low	36.1	Very low	143 Å²	143	136.2 Å²	136.2	88%	0.877	79%	0.792	S	S	*	*			trans	-169.2	151.6	130.6	-73.9	0	0	0	0	109.2
342	A	36.7	Very low	36.1	Very low	87 Å²	87	139.2 Å²	139.2	72%	0.719	79%	0.792	S	S	*	*			trans	-143.6	176.7	-172.1	0	0	0	0	0	110.4
343	P	48.7	Very low	37.3	Very low	130 Å²	130	136.7 Å²	136.7	84%	0.844	79%	0.785	S	S	*	*			cis	-130.4	-167.3	4.3	41.1	-22.2	0	0	0	115.5
344	A	31.5	Very low	37.3	Very low	89 Å²	89	137 Å²	137	74%	0.736	78%	0.78	S	S	*	*			trans	-108.3	-166.6	-175.4	0	0	0	0	0	111
345	P	46.4	Very low	37.5	Very low	107 Å²	107	137.5 Å²	137.5	70%	0.695	78%	0.78	S	S	*	*			cis	-147.8	171	9.8	45.5	-25.5	0	0	0	120.4
346	T	41.5	Very low	37.5	Very low	132 Å²	132	139 Å²	139	81%	0.81	78%	0.784	S	S	*	*			trans	70	144.5	165.5	74.9	0	0	0	0	118.3
347	P	45.7	Very low	37.3	Very low	125 Å²	125	138.6 Å²	138.6	81%	0.812	78%	0.779	S	S	*	*				-142.4	174	91	39.3	-25.2	0	0	0	115.2
348	K	34.2	Very low	37.1	Very low	212 Å²	212	141.4 Å²	141.4	92%	0.922	78%	0.779	S	S	*	*			trans	-111.4	161.3	165.8	-83.6	-174.8	176.3	178.4	0	112.1
349	R	33.8	Very low	36.9	Very low	252 Å²	252	140.4 Å²	140.4	95%	0.951	77%	0.766	S	S	*	*			trans	-82.9	152.3	-152.9	-171.9	172.7	167.9	-160.8	-2.6	115.6
350	R	32.1	Very low	36.7	Very low	212 Å²	212	143.7 Å²	143.7	80%	0.8	77%	0.765	S	S	*	*			trans	-98	141.5	-177.5	-86.8	-177.7	170.7	-169.6	-0.3	114.6
351	R	32	Very low	35.7	Very low	211 Å²	211	146.8 Å²	146.8	80%	0.796	77%	0.769	S	S	*	*				45	138.2	129.2	-58.4	-170.6	178.3	-167.4	-0.2	124.7
352	H	29.5	Very low	35.6	Very low	144 Å²	144	144.4 Å²	144.4	67%	0.667	76%	0.758	S	S	*	*			trans	70.1	166.9	134.3	-98.6	-129.5	0	0	0	119.5	D354	H352-D354 VanDerWaalsContact CE1-CG 3.48Å; H352-D354 IonicContact CE1-OD1 3Å; H352-D354 PolarHBondContact CE1-OD1 3.4Å; H352-D354 IonicContact CE1-OD2 3.42Å; H352-D354 PolarHBondContact CE1-OD2 2.91Å; H352-D354 IonicContact CG-OD2 3.8Å; H352-D354 IonicContact ND1-OD1 3.21Å; H352-D354 PolarHBondContact ND1-OD1 2.97Å; H352-D354 IonicContact ND1-OD2 2.7Å; H352-D354 PolarHBondContact ND1-OD2 3.46Å
353	P	59.9	Low	35.3	Very low	115 Å²	115	145.7 Å²	145.7	75%	0.747	76%	0.762	S	S	*	*			cis	-126.7	-169.4	12.4	31.7	-9.3	0	0	0	114.8
354	D	30.9	Very low	34.3	Very low	98 Å²	98	147 Å²	147	52%	0.524	76%	0.757	S	S	.	*			cis	-163.6	158	-40.5	-104	-65.4	0	0	0	111	H352	H352-D354 VanDerWaalsContact CE1-CG 3.48Å; H352-D354 IonicContact CE1-OD1 3Å; H352-D354 PolarHBondContact CE1-OD1 3.4Å; H352-D354 IonicContact CE1-OD2 3.42Å; H352-D354 PolarHBondContact CE1-OD2 2.91Å; H352-D354 IonicContact CG-OD2 3.8Å; H352-D354 IonicContact ND1-OD1 3.21Å; H352-D354 PolarHBondContact ND1-OD1 2.97Å; H352-D354 IonicContact ND1-OD2 2.7Å; H352-D354 PolarHBondContact ND1-OD2 3.46Å
355	M	33.5	Very low	34.2	Very low	150 Å²	150	147.5 Å²	147.5	74%	0.739	76%	0.755	S	S	*	*			trans	57	160.3	155.8	-66.4	-58.2	133	0	0	121.5
356	D	31.6	Very low	33.3	Very low	143 Å²	143	151.1 Å²	151.1	77%	0.765	76%	0.763	S	S	*	*			cis	-119.7	144.8	9.9	-77.5	-62.5	0	0	0	112.4
357	C	30	Very low	32.9	Very low	111 Å²	111	149.9 Å²	149.9	75%	0.75	76%	0.76	S	S	*	*				65.7	156.8	94.6	-126.5	0	0	0	0	115.2
358	I	29.4	Very low	32.1	Very low	155 Å²	155	152.5 Å²	152.5	80%	0.795	77%	0.766	S	S	*	*			cis	-138	-179.8	19.6	-58.4	172.6	0	0	0	110.4
359	S	29.5	Very low	32	Very low	80 Å²	80	154 Å²	154	56%	0.559	77%	0.766	S	S	*	*			trans	-74.5	161.4	-178.5	59.5	0	0	0	0	115.8
360	Y	30.1	Very low	31.8	Very low	211 Å²	211	152.9 Å²	152.9	83%	0.827	76%	0.761	S	S	*	*				-151.1	165.8	67.8	-102.9	-86.3	0	0	0	117.7
361	Q	32.3	Very low	31.6	Very low	175 Å²	175	147.5 Å²	147.5	82%	0.818	76%	0.756	S	S	*	*			trans	-76.6	178.5	-175.8	-73.2	169.5	-12	0	0	115.2
362	S	27.7	Very low	31.6	Very low	93 Å²	93	143.2 Å²	143.2	65%	0.65	75%	0.753	S	S	*	*			cis	175.2	121.7	-33	176.6	0	0	0	0	110.9
363	S	30.3	Very low	31.7	Very low	114 Å²	114	147.5 Å²	147.5	80%	0.797	76%	0.764	S	S	*	*			trans	-174.7	120.4	158.5	46.7	0	0	0	0	107.4
364	Q	28.5	Very low	30.3	Very low	157 Å²	157	148.6 Å²	148.6	73%	0.734	76%	0.764	S	S	*	*			cis	58.4	128.8	46.9	-53	-163.5	18.5	0	0	112.2
365	S	28.4	Very low	30.3	Very low	100 Å²	100	150.6 Å²	150.6	70%	0.699	78%	0.78	S	S	*	*			cis	-135.4	130.6	21.7	-68.9	0	0	0	0	111.6
366	Q	29.4	Very low	30.2	Very low	184 Å²	184	148.7 Å²	148.7	86%	0.86	78%	0.781	S	S	*	*				71.3	148	97.2	-64.8	-162.5	-6.8	0	0	117.5
367	S	31.4	Very low	30	Very low	106 Å²	106	145.9 Å²	145.9	74%	0.741	79%	0.785	S	S	*	*			trans	-91.3	157.2	-170.1	58.1	0	0	0	0	114.7
368	L	29.4	Very low	29.9	Very low	179 Å²	179	143.9 Å²	143.9	94%	0.937	78%	0.784	S	S	*	*			trans	-129.8	144.5	144.4	-75.6	178.5	0	0	0	111.4
369	R	32.3	Very low	30	Very low	244 Å²	244	144.9 Å²	144.9	92%	0.921	79%	0.791	S	S	*	*			trans	-104.5	151.9	164.1	-75.6	-179.9	169.7	-175.4	-2.7	108.6
370	R	29.5	Very low	30.3	Very low	229 Å²	229	151.5 Å²	151.5	86%	0.864	80%	0.804	S	S	*	*				134.8	147.7	121.5	-162.8	179	-158	-95.7	6	114.2
371	S	27.9	Very low	31	Very low	98 Å²	98	146.8 Å²	146.8	69%	0.685	80%	0.799	S	S	*	*			trans	96.9	159.5	149.9	-133.4	0	0	0	0	118.4
372	T	32.3	Very low	31.1	Very low	121 Å²	121	144.3 Å²	144.3	74%	0.742	80%	0.796	S	S	*	*			trans	-132.9	149.5	-166.2	50.4	0	0	0	0	110.3
373	R	30.5	Very low	31.3	Very low	234 Å²	234	147.2 Å²	147.2	88%	0.883	80%	0.799	S	S	*	*				-177.8	164.3	126.5	-102.5	170.9	68.7	158.6	-0.5	113.1
374	N	31.8	Very low	31.2	Very low	139 Å²	139	145.3 Å²	145.3	74%	0.743	80%	0.797	S	S	*	*			trans	-110.3	145.2	-162.7	27.8	-72.3	0	0	0	112.8
375	T	31.2	Very low	31.6	Very low	140 Å²	140	142 Å²	142	86%	0.859	79%	0.792	S	S	*	*			trans	-174.2	161.7	158.9	29.8	0	0	0	0	107.9
376	S	30.2	Very low	31.9	Very low	109 Å²	109	143.2 Å²	143.2	76%	0.762	80%	0.8	S	S	*	*			cis	179.6	141.6	-39.6	49.7	0	0	0	0	107.6
377	G	27.4	Very low	31.9	Very low	84 Å²	84	138.2 Å²	138.2	87%	0.866	80%	0.798	S	S	*	*			trans	102.2	143.1	179.4	0	0	0	0	0	113
378	G	28	Very low	31.8	Very low	70 Å²	70	137.2 Å²	137.2	72%	0.722	80%	0.804	S	S	*	*			cis	126.5	106.9	-6.5	0	0	0	0	0	112.7
379	D	32	Very low	31.8	Very low	175 Å²	175	132.8 Å²	132.8	94%	0.936	80%	0.802	S	S	*	*			trans	-170.5	151.6	137.9	-101.7	-23.4	0	0	0	111.9
380	R	35.8	Very low	31.6	Very low	219 Å²	219	125.3 Å²	125.3	83%	0.826	80%	0.8	S	S	*	*			trans	-166	139.6	177.6	-149.2	-172.2	-163	-156.9	5.1	108.8
381	P	44.4	Very low	31.6	Very low	112 Å²	112	120.5 Å²	120.5	73%	0.727	80%	0.802	S	S	*	*			trans	-143	122.8	130.5	36.1	-21.4	0	0	0	112.6
382	T	34.8	Very low	31.7	Very low	123 Å²	123	120.5 Å²	120.5	76%	0.755	81%	0.808	S	S	*	*				88.7	142.8	96	58.7	0	0	0	0	115.2
383	E	31.4	Very low	31.5	Very low	155 Å²	155	121.4 Å²	121.4	72%	0.724	81%	0.813	S	S	*	*			cis	-90	-123.6	-5.4	-65.6	-175.2	35.9	0	0	111.8	S385	E383-S385 VanDerWaalsContact OE1-CB 3.25Å; E383-S385 WeakPolarHBondContact OE1-CB 3.47Å; E383-S385 PolarHBondContact OE1-OG 2.6Å
384	G	29.6	Very low	31.4	Very low	73 Å²	73	114.8 Å²	114.8	75%	0.753	81%	0.809	S	S	*	*			cis	170.5	169	-7.1	0	0	0	0	0	115.4
385	S	35.5	Very low	31.4	Very low	88 Å²	88	114 Å²	114	62%	0.615	82%	0.815	S	S	*	*			cis	-161.8	153.9	-23.5	-145.6	0	0	0	0	111.1	E383	E383-S385 VanDerWaalsContact OE1-CB 3.25Å; E383-S385 WeakPolarHBondContact OE1-CB 3.47Å; E383-S385 PolarHBondContact OE1-OG 2.6Å
386	S	34.3	Very low	31.4	Very low	126 Å²	126	113.3 Å²	113.3	88%	0.881	81%	0.812	S	S	*	*			trans	58.9	141.5	-167.6	76.8	0	0	0	0	115.8
387	G	30.5	Very low	31.2	Very low	79 Å²	79	117 Å²	117	81%	0.814	82%	0.817	S	S	*	*			cis	176.8	150.8	-13.4	0	0	0	0	0	113
388	G	29.3	Very low	31.3	Very low	85 Å²	85	121.7 Å²	121.7	88%	0.876	82%	0.822	S	S	*	*			trans	92.1	94.6	153.5	0	0	0	0	0	120.6
389	G	29.3	Very low	31.2	Very low	86 Å²	86	128 Å²	128	89%	0.887	83%	0.829	S	S	*	*				95.4	149.1	127	0	0	0	0	0	121
390	G	28.8	Very low	31.1	Very low	86 Å²	86	131.9 Å²	131.9	89%	0.887	83%	0.831	S	S	*	*			trans	104.9	98.4	157.4	0	0	0	0	0	116.9
391	S	28.5	Very low	30.6	Very low	129 Å²	129	132.6 Å²	132.6	90%	0.902	83%	0.833	S	S	*	*			trans	-94.5	135	168.9	179.1	0	0	0	0	111.4
392	A	29.3	Very low	29.7	Very low	98 Å²	98	135.2 Å²	135.2	81%	0.81	84%	0.84	S	S	*	*			trans	-161	141.5	151	0	0	0	0	0	112.5
393	T	29.7	Very low	29.3	Very low	139 Å²	139	136.2 Å²	136.2	85%	0.853	84%	0.84	S	S	*	*			trans	-75.2	137.3	177	49.9	0	0	0	0	113.7
394	A	28.6	Very low	28.8	Very low	95 Å²	95	134.9 Å²	134.9	79%	0.785	84%	0.837	S	S	*	*			trans	-173.6	138.3	137.2	0	0	0	0	0	112.7
395	S	30.5	Very low	28.8	Very low	124 Å²	124	136.7 Å²	136.7	87%	0.867	83%	0.834	S	S	*	*			trans	-106.8	132.8	156.8	-68.6	0	0	0	0	109.4
396	P	32.4	Very low	28.6	Very low	124 Å²	124	136 Å²	136	81%	0.805	83%	0.829	S	S	*	*			trans	-108.3	137.7	162	33.7	-25.6	0	0	0	111.9
397	Q	25.3	Very low	28.5	Very low	186 Å²	186	133.8 Å²	133.8	87%	0.869	82%	0.819	S	S	*	*			trans	-72.1	163	-174.8	-65.1	-172.3	-23.7	0	0	114.5	K399	Q397-K399 PolarHBondContact O-N 2.88Å; Q397-K399 VanDerWaalsContact O-N 3.08Å
398	L	28.7	Very low	28.8	Very low	184 Å²	184	137.4 Å²	137.4	96%	0.963	81%	0.814	S	S	*	*			trans	-46.7	109.9	162.9	-79.7	158.9	0	0	0	111.8
399	K	25.4	Very low	29.2	Very low	201 Å²	201	135.3 Å²	135.3	87%	0.874	79%	0.785	S	S	*	*			trans	-113.3	101.1	167.1	-152.4	161	-170.6	171.7	0	110.3	Q397 R401	Q397-K399 PolarHBondContact O-N 2.88Å; Q397-K399 VanDerWaalsContact O-N 3.08Å; K399-R401 PolarHBondContact O-N 3.17Å
400	R	31.6	Very low	29.9	Very low	257 Å²	257	137.1 Å²	137.1	97%	0.97	77%	0.769	S	S	*	*			trans	-52.9	97.6	179	-174.7	-176.3	-166.2	168.3	3.1	110.7
401	R	23.9	Very low	30.9	Very low	234 Å²	234	135.5 Å²	135.5	88%	0.883	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-83.8	123.1	176.2	-154.1	174.4	-164.5	179.1	4.5	109.3	K399 I403	K399-R401 PolarHBondContact O-N 3.17Å; R401-I403 PolarHBondContact O-N 3.06Å
402	L	26	Very low	31.5	Very low	167 Å²	167	134.4 Å²	134.4	87%	0.874	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-61.4	127.7	170.2	-163.3	71.9	0	0	0	107.9
403	I	26.2	Very low	32	Very low	144 Å²	144	134.5 Å²	134.5	74%	0.738	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-90	116.8	172.5	-70.4	177.7	0	0	0	107.2	R401 T405	R401-I403 PolarHBondContact O-N 3.06Å; I403-T405 HydrophobicContact CG2-CG2 4.05Å
404	D	22.2	Very low	32.2	Very low	127 Å²	127	133.2 Å²	133.2	68%	0.679	69%	0.691	S	S	*	*			trans	-80.4	113.7	175.1	-170.8	-15.7	0	0	0	109	S406	D404-S406 WeakPolarHBondContact OD1-CB 3.41Å; D404-S406 PolarHBondContact OD1-N 3.29Å; D404-S406 PolarHBondContact OD1-OG 3.25Å
405	T	29.3	Very low	32.8	Very low	112 Å²	112	134 Å²	134	69%	0.687	68%	0.681	S	S	*	*			trans	-104.4	61.7	-179.1	55.7	0	0	0	0	111.1	I403	I403-T405 HydrophobicContact CG2-CG2 4.05Å
406	S	31.5	Very low	32.7	Very low	72 Å²	72	135.1 Å²	135.1	50%	0.503	67%	0.673	S	S	.	*			trans	-116.5	5.8	176.8	52.6	0	0	0	0	113.1	D404 Q408	D404-S406 WeakPolarHBondContact OD1-CB 3.41Å; D404-S406 PolarHBondContact OD1-N 3.29Å; D404-S406 PolarHBondContact OD1-OG 3.25Å; S406-Q408 PolarHBondContact O-N 3.24Å
407	A	31.8	Very low	32.7	Very low	80 Å²	80	136.7 Å²	136.7	66%	0.661	67%	0.667	S	S	*	*			trans	-82.4	112.6	-175.9	0	0	0	0	0	113.2
408	Q	35.8	Very low	32.9	Very low	155 Å²	155	136.9 Å²	136.9	72%	0.724	67%	0.665	S	S	*	*			trans	-54.9	154.1	161.4	-73.6	-72.9	-22.8	0	0	111.6	S406 K410	S406-Q408 PolarHBondContact O-N 3.24Å; Q408-K410 PolarHBondContact O-N 3.28Å
409	P	37.5	Very low	32.9	Very low	42 Å²	42	133 Å²	133	27%	0.273	65%	0.649	S	S	.	*			trans	-52.8	126.9	177.7	-27.2	35.6	0	0	0	112.3	F411	P409-F411 HydrophobicContact CB-CD2 3.82Å; P409-F411 HydrophobicContact CB-CE2 3.95Å; P409-F411 PolarHBondContact O-N 3.11Å
410	K	44.1	Very low	33.1	Very low	124 Å²	124	129.5 Å²	129.5	54%	0.539	65%	0.647	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69.8	0.7	-163.1	-67	167.5	-175.1	159.2	0	115.2	Q408 F412 L413	Q408-K410 PolarHBondContact O-N 3.28Å; K410-F412 VanDerWaalsContact C-N 3.33Å; K410-F412 PolarHBondContact O-N 2.99Å; K410-L413 PolarHBondContact O-N 3.37Å
411	F	50.6	Low	33.1	Very low	51 Å²	51	122.6 Å²	122.6	22%	0.224	63%	0.633	C	S	.	*	T	Hydrogen-bonded Turn	trans	-59.9	-37.9	-172.1	-56.1	-50	0	0	0	113.7	P409 F521 D524 F525	P409-F411 HydrophobicContact CB-CD2 3.82Å; P409-F411 HydrophobicContact CB-CE2 3.95Å; P409-F411 PolarHBondContact O-N 3.11Å; F411-F521 AromaticContact CD1-CD1 3.76Å; F411-F521 HydrophobicContact CD1-CD1 3.76Å; F411-F521 AromaticContact CD1-CE1 3.98Å; F411-F521 HydrophobicContact CD1-CE1 3.98Å; F411-F521 HydrophobicContact CD1-CG 4.37Å; F411-F521 HydrophobicContact CE1-CB 4.01Å; F411-F521 AromaticContact CE1-CD1 3.27Å; F411-F521 HydrophobicContact CE1-CD1 3.27Å; F411-F521 AromaticContact CE1-CE1 3.95Å; F411-F521 HydrophobicContact CE1-CE1 3.95Å; F411-F521 AromaticContact CE1-CG 3.8Å; F411-F521 HydrophobicContact CE1-CG 3.8Å; F411-F521 HydrophobicContact CE2-CB 4.36Å; F411-F521 HydrophobicContact CZ-CB 3.64Å; F411-F521 AromaticContact CZ-CD1 3.84Å; F411-F521 HydrophobicContact CZ-CD1 3.84Å; F411-F521 AromaticContact CZ-CG 3.9Å; F411-F521 HydrophobicContact CZ-CG 3.9Å; F411-D524 HydrophobicContact CE1-CB 4.46Å; F411-D524 HydrophobicContact CE2-CB 4.13Å; F411-D524 HydrophobicContact CZ-CB 3.59Å; F411-D524 WeakPolarHBondContact CZ-OD2 3.47Å; F411-F525 HydrophobicContact CE2-CZ 4.38Å
412	F	41.4	Very low	33.4	Very low	107 Å²	107	120.3 Å²	120.3	47%	0.469	63%	0.632	S	S	.	*	G	3₁₀ helix	trans	-73	-32.2	178.3	-64.7	-78.2	0	0	0	113.2	K410 N414 L456	K410-F412 VanDerWaalsContact C-N 3.33Å; K410-F412 PolarHBondContact O-N 2.99Å; F412-N414 VanDerWaalsContact C-N 3.27Å; F412-N414 PolarHBondContact O-N 3.18Å; F412-L456 HydrophobicContact CD1-CD2 4.11Å; F412-L456 HydrophobicContact CE1-CD2 3.67Å
413	L	39.7	Very low	33.8	Very low	99 Å²	99	118 Å²	118	52%	0.518	63%	0.63	S	S	.	*	G	3₁₀ helix	trans	-76.8	-3.9	-172.6	-63.9	176	0	0	0	115.2	K410	K410-L413 PolarHBondContact O-N 3.37Å
414	N	34.6	Very low	34	Very low	112 Å²	112	115 Å²	115	60%	0.599	63%	0.634	S	S	*	*	G	3₁₀ helix	trans	-97	-10.9	179.7	-76.8	-43.3	0	0	0	113.8	F412	F412-N414 VanDerWaalsContact C-N 3.27Å; F412-N414 PolarHBondContact O-N 3.18Å
415	L	39.8	Very low	34.4	Very low	112 Å²	112	114.4 Å²	114.4	59%	0.586	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.4	-32.2	-178.5	-161.5	64.7	0	0	0	112.7	F227 K417	F227-L415 HydrophobicContact CZ-CD1 4.49Å; L415-K417 VanDerWaalsContact C-N 3.26Å; L415-K417 PolarHBondContact O-N 2.94Å
416	E	30	Very low	34.5	Very low	147 Å²	147	114.7 Å²	114.7	69%	0.687	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.9	-21.7	-179.7	-60.3	-178	138.1	0	0	113.8	K418	E416-K418 VanDerWaalsContact C-N 3.34Å; E416-K418 PolarHBondContact O-N 2.92Å
417	K	31	Very low	34.5	Very low	158 Å²	158	116.9 Å²	116.9	69%	0.687	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.6	19.8	-168.4	-64.4	178.3	-177.4	169.2	0	114.6	L415	L415-K417 VanDerWaalsContact C-N 3.26Å; L415-K417 PolarHBondContact O-N 2.94Å
418	K	29.7	Very low	35.1	Very low	190 Å²	190	118.4 Å²	118.4	83%	0.826	67%	0.665	S	S	*	*			trans	-131.4	43.7	178.8	-73.6	-167.7	175.3	179.8	0	114.2	E416	E416-K418 VanDerWaalsContact C-N 3.34Å; E416-K418 PolarHBondContact O-N 2.92Å
419	T	29.9	Very low	34.7	Very low	101 Å²	101	118.7 Å²	118.7	62%	0.62	67%	0.67	S	S	*	*	S	Bend	trans	-109.4	134.7	155.8	49.5	0	0	0	0	109.5	V421	T419-V421 PolarHBondContact O-N 3.17Å; T419-V421 VanDerWaalsContact O-N 3.11Å
420	P	29.4	Very low	34.8	Very low	128 Å²	128	121.9 Å²	121.9	83%	0.831	69%	0.691	S	S	*	*			trans	-72.7	101.9	173.9	-16.8	31.6	0	0	0	110.3	H422	P420-H422 PolarHBondContact O-N 2.8Å
421	V	30.5	Very low	34.2	Very low	112 Å²	112	124 Å²	124	68%	0.679	71%	0.708	S	S	*	*			trans	-87.8	107.9	179	-175.2	0	0	0	0	110.1	T419	T419-V421 PolarHBondContact O-N 3.17Å; T419-V421 VanDerWaalsContact O-N 3.11Å
422	H	30.3	Very low	33.3	Very low	187 Å²	187	128.3 Å²	128.3	87%	0.866	74%	0.738	S	S	*	*			trans	-90.1	109.7	157.8	-80.4	-75.4	0	0	0	108.8	P420	P420-H422 PolarHBondContact O-N 2.8Å
423	S	35.2	Very low	33.4	Very low	118 Å²	118	129.3 Å²	129.3	83%	0.825	76%	0.755	S	S	*	*			trans	-74.2	135.7	178	-55.4	0	0	0	0	111.7
424	G	29	Very low	32.9	Very low	80 Å²	80	130.3 Å²	130.3	83%	0.825	77%	0.771	S	S	*	*			trans	-151.4	126.1	172	0	0	0	0	0	110.4
425	S	31.5	Very low	33	Very low	115 Å²	115	132.8 Å²	132.8	80%	0.804	78%	0.776	S	S	*	*			trans	-97.8	144.8	-177	177	0	0	0	0	111.4
426	S	32.2	Very low	32.8	Very low	118 Å²	118	135.1 Å²	135.1	83%	0.825	78%	0.784	S	S	*	*				171.4	167.1	123.7	-76.7	0	0	0	0	114.6
427	S	30.3	Very low	32.9	Very low	119 Å²	119	140.2 Å²	140.2	83%	0.832	80%	0.797	S	S	*	*			trans	-71.4	174.7	-174.2	-56.8	0	0	0	0	115.6
428	P	44.1	Very low	33	Very low	111 Å²	111	138.3 Å²	138.3	72%	0.721	80%	0.804	S	S	*	*			trans	-107.6	176.9	-151.7	41.1	-37.8	0	0	0	118.1
429	L	27.5	Very low	33.2	Very low	161 Å²	161	132.8 Å²	132.8	84%	0.843	80%	0.8	S	S	*	*			trans	82.2	153.3	166.7	-53.9	-179.8	0	0	0	117.5
430	P	39.7	Very low	33.5	Very low	109 Å²	109	135.5 Å²	135.5	71%	0.708	81%	0.811	S	S	*	*			cis	-132	163.8	-24.4	34.9	-17	0	0	0	115.9
431	L	32.7	Very low	33.7	Very low	170 Å²	170	136.9 Å²	136.9	89%	0.89	80%	0.804	S	S	*	*			trans	30.3	114.5	153.4	-64.2	173.5	0	0	0	121.8
432	T	30.6	Very low	33.9	Very low	141 Å²	141	135.6 Å²	135.6	87%	0.865	80%	0.799	S	S	*	*				-154.3	153.8	128.4	32.1	0	0	0	0	110.4
433	P	44.8	Very low	34.1	Very low	127 Å²	127	129.3 Å²	129.3	83%	0.825	79%	0.785	S	S	*	*			trans	-103.1	128.5	-178.9	35.6	-29.1	0	0	0	113.8
434	S	28.8	Very low	34.2	Very low	121 Å²	121	128.1 Å²	128.1	85%	0.846	77%	0.768	S	S	*	*			trans	-150.4	98.4	159.9	-161.2	0	0	0	0	114.2
435	K	36.5	Very low	34.8	Very low	163 Å²	163	128.4 Å²	128.4	71%	0.709	75%	0.748	S	S	*	*			trans	26.4	122	137.2	-157.4	161.2	-176	176.1	0	120.7
436	E	35.3	Very low	35.4	Very low	162 Å²	162	125.9 Å²	125.9	76%	0.757	73%	0.73	S	S	*	*			trans	55.5	102.4	146.9	-67.7	159.5	-164.8	0	0	120
437	R	32	Very low	36.1	Very low	253 Å²	253	128 Å²	128	96%	0.955	72%	0.72	S	S	*	*	S	Bend		178.1	57.2	106.9	-163.7	175.1	-174	175	2.2	113.2
438	S	34.3	Very low	37.4	Very low	119 Å²	119	126.4 Å²	126.4	83%	0.832	70%	0.696	S	S	*	*			trans	-143.6	50.6	176.5	-159.8	0	0	0	0	113.7
439	G	32.4	Very low	38.1	Very low	73 Å²	73	125.2 Å²	125.2	75%	0.753	68%	0.684	S	S	*	*			trans	-96.5	-5.7	-173.1	0	0	0	0	0	117.1
440	L	36.1	Very low	39.9	Very low	159 Å²	159	122.8 Å²	122.8	83%	0.832	67%	0.672	S	S	*	*	S	Bend	trans	-118.8	-3.4	-159.8	-68.3	174.5	0	0	0	116.9
441	F	34.3	Very low	41.2	Very low	156 Å²	156	121.5 Å²	121.5	68%	0.684	66%	0.656	S	S	*	*	S	Bend	trans	-104.4	-52.6	177.3	-90.4	-96.9	0	0	0	113.2	G443 L444 E445	F441-G443 VanDerWaalsContact C-N 3.32Å; F441-G443 PolarHBondContact O-N 2.72Å; F441-G443 VanDerWaalsContact O-N 3.16Å; F441-L444 WeakPolarHBondContact O-CB 3.5Å; F441-L444 PolarHBondContact O-N 2.82Å; F441-E445 PolarHBondContact O-N 3.2Å
442	C	33.8	Very low	43.2	Very low	86 Å²	86	115.7 Å²	115.7	58%	0.581	63%	0.626	S	S	*	*	H	α-helix	trans	-51.7	-43.4	-175.1	-179.9	0	0	0	0	114	L444 E445 S446	C442-L444 VanDerWaalsContact C-N 3.29Å; C442-L444 PolarHBondContact O-N 3.01Å; C442-E445 PolarHBondContact O-N 2.92Å; C442-S446 PolarHBondContact O-N 3.43Å; C442-S446 PolarHBondContact O-OG 2.93Å
443	G	34.8	Very low	45.3	Very low	55 Å²	55	113.5 Å²	113.5	57%	0.567	61%	0.609	S	S	*	*	H	α-helix	trans	-63.8	-29.1	179.6	0	0	0	0	0	114.6	F441 R447	F441-G443 VanDerWaalsContact C-N 3.32Å; F441-G443 PolarHBondContact O-N 2.72Å; F441-G443 VanDerWaalsContact O-N 3.16Å; G443-R447 PolarHBondContact O-N 3.1Å
444	L	38.3	Very low	47.1	Very low	92 Å²	92	114.4 Å²	114.4	48%	0.482	60%	0.602	S	S	.	*	H	α-helix	trans	-78.6	-30.5	177.1	-172.9	66.1	0	0	0	111.6	F441 C442 R448	F441-L444 WeakPolarHBondContact O-CB 3.5Å; F441-L444 PolarHBondContact O-N 2.82Å; C442-L444 VanDerWaalsContact C-N 3.29Å; C442-L444 PolarHBondContact O-N 3.01Å; L444-R448 WeakPolarHBondContact O-CB 3.23Å; L444-R448 PolarHBondContact O-N 2.83Å; L444-R448 VanDerWaalsContact O-N 3.14Å
445	E	42.1	Very low	49.6	Very low	87 Å²	87	109.6 Å²	109.6	41%	0.407	57%	0.567	S	S	.	*	H	α-helix	trans	-73.8	-46	176.7	-76.4	155.9	171.5	0	0	111.5	F441 C442 R447 R448 N449	F441-E445 PolarHBondContact O-N 3.2Å; C442-E445 PolarHBondContact O-N 2.92Å; E445-R447 VanDerWaalsContact C-N 3.31Å; E445-R447 PolarHBondContact O-N 2.96Å; E445-R448 PolarHBondContact O-N 3.24Å; E445-N449 WeakPolarHBondContact O-CB 3.5Å; E445-N449 PolarHBondContact O-N 2.77Å; E445-N449 PolarHBondContact O-ND2 2.68Å; E445-N449 PolarHBondContact O-OD1 3.31Å
446	S	42.1	Very low	51.8	Low	61 Å²	61	105.3 Å²	105.3	43%	0.427	55%	0.552	S	S	.	*	H	α-helix	trans	-58.1	-41	173.4	-61.7	0	0	0	0	112.7	C442 N449 N450	C442-S446 PolarHBondContact O-N 3.43Å; C442-S446 PolarHBondContact O-OG 2.93Å; S446-N449 PolarHBondContact O-N 3.1Å; S446-N450 VanDerWaalsContact O-CG 3.32Å; S446-N450 PolarHBondContact O-N 3.2Å; S446-N450 VanDerWaalsContact O-N 3.17Å; S446-N450 PolarHBondContact O-OD1 3.3Å
447	R	47.9	Very low	54.1	Low	163 Å²	163	101.6 Å²	101.6	62%	0.615	54%	0.544	S	S	*	.	H	α-helix	trans	-63.8	-45.3	175.8	-168.6	176.9	-170.9	-85.2	-9	111.9	G443 E445 N449 N450 E451	G443-R447 PolarHBondContact O-N 3.1Å; E445-R447 VanDerWaalsContact C-N 3.31Å; E445-R447 PolarHBondContact O-N 2.96Å; R447-N449 PolarHBondContact O-N 3.37Å; R447-N450 PolarHBondContact O-N 3.46Å; R447-E451 IonicContact CZ-OE1 3.77Å; R447-E451 IonicContact NE-OE1 3.56Å; R447-E451 IonicContact NH1-OE1 2.7Å; R447-E451 PolarHBondContact NH1-OE1 2.94Å; R447-E451 IonicContact NH2-OE1 2.81Å; R447-E451 WeakPolarHBondContact O-CG 3.47Å; R447-E451 PolarHBondContact O-N 2.91Å; R447-E451 VanDerWaalsContact O-N 3.1Å
448	R	56.5	Low	56.9	Low	86 Å²	86	92.4 Å²	92.4	33%	0.325	51%	0.509	S	S	.	.	H	α-helix	trans	-64.2	-38.5	178.6	-168.5	-173.3	-57.8	111.3	-0.7	112.3	L444 E445 N450 E451 L452	L444-R448 WeakPolarHBondContact O-CB 3.23Å; L444-R448 PolarHBondContact O-N 2.83Å; L444-R448 VanDerWaalsContact O-N 3.14Å; E445-R448 PolarHBondContact O-N 3.24Å; R448-N450 VanDerWaalsContact C-N 3.35Å; R448-E451 PolarHBondContact O-N 3.17Å; R448-L452 HydrophobicContact CG-CD1 4.21Å; R448-L452 WeakPolarHBondContact O-CB 3.46Å; R448-L452 VanDerWaalsContact O-CG 3.3Å; R448-L452 WeakPolarHBondContact O-CG 3.36Å; R448-L452 PolarHBondContact O-N 3.28Å
449	N	60.8	Low	59.6	Low	86 Å²	86	91.9 Å²	91.9	46%	0.46	49%	0.492	S	S	.	.	H	α-helix	trans	-65.7	-39	177.6	-66.6	-11	0	0	0	111.3	E445 S446 R447 L452 N453	E445-N449 WeakPolarHBondContact O-CB 3.5Å; E445-N449 PolarHBondContact O-N 2.77Å; E445-N449 PolarHBondContact O-ND2 2.68Å; E445-N449 PolarHBondContact O-OD1 3.31Å; S446-N449 PolarHBondContact O-N 3.1Å; R447-N449 PolarHBondContact O-N 3.37Å; N449-L452 PolarHBondContact O-N 2.85Å; N449-N453 WeakPolarHBondContact O-CB 3.48Å; N449-N453 PolarHBondContact O-N 2.95Å; N449-N453 PolarHBondContact O-ND2 3.46Å
450	N	64.2	Low	62.5	Low	110 Å²	110	89.3 Å²	89.3	59%	0.588	46%	0.461	S	S	*	.	H	α-helix	trans	-65.3	-45	175.1	-67.7	-6.4	0	0	0	112	S446 R447 R448 L452 N453 E454	S446-N450 VanDerWaalsContact O-CG 3.32Å; S446-N450 PolarHBondContact O-N 3.2Å; S446-N450 VanDerWaalsContact O-N 3.17Å; S446-N450 PolarHBondContact O-OD1 3.3Å; R447-N450 PolarHBondContact O-N 3.46Å; R448-N450 VanDerWaalsContact C-N 3.35Å; N450-L452 VanDerWaalsContact C-N 3.33Å; N450-L452 PolarHBondContact O-N 3.49Å; N450-N453 PolarHBondContact O-N 3.4Å; N450-E454 PolarHBondContact O-N 3.08Å
451	E	67.3	Low	65.1	Low	82 Å²	82	82.6 Å²	82.6	38%	0.383	43%	0.426	S	S	.	.	H	α-helix	trans	-60	-40.9	174.8	-71.2	169.7	-169.4	0	0	112	R447 R448 V455	R447-E451 IonicContact CZ-OE1 3.77Å; R447-E451 IonicContact NE-OE1 3.56Å; R447-E451 IonicContact NH1-OE1 2.7Å; R447-E451 PolarHBondContact NH1-OE1 2.94Å; R447-E451 IonicContact NH2-OE1 2.81Å; R447-E451 WeakPolarHBondContact O-CG 3.47Å; R447-E451 PolarHBondContact O-N 2.91Å; R447-E451 VanDerWaalsContact O-N 3.1Å; R448-E451 PolarHBondContact O-N 3.17Å; E451-V455 WeakPolarHBondContact O-CG2 3.36Å; E451-V455 PolarHBondContact O-N 3.3Å; E451-V455 VanDerWaalsContact O-N 3.16Å
452	L	73.4	Confident	67.6	Low	47 Å²	47	79.2 Å²	79.2	25%	0.246	42%	0.42	C	S	.	.	H	α-helix	trans	-67.5	-39.1	175.5	-72.2	169.5	0	0	0	112.3	I223 R448 N449 N450 V455 L456	I223-L452 HydrophobicContact CG1-CD2 4.01Å; R448-L452 HydrophobicContact CG-CD1 4.21Å; R448-L452 WeakPolarHBondContact O-CB 3.46Å; R448-L452 VanDerWaalsContact O-CG 3.3Å; R448-L452 WeakPolarHBondContact O-CG 3.36Å; R448-L452 PolarHBondContact O-N 3.28Å; N449-L452 PolarHBondContact O-N 2.85Å; N450-L452 VanDerWaalsContact C-N 3.33Å; N450-L452 PolarHBondContact O-N 3.49Å; L452-V455 PolarHBondContact O-N 2.82Å; L452-L456 WeakPolarHBondContact O-CB 3.48Å; L452-L456 VanDerWaalsContact O-CG 3.26Å; L452-L456 WeakPolarHBondContact O-CG 3.35Å; L452-L456 PolarHBondContact O-N 3.35Å
453	N	75.8	Confident	70	Confident	96 Å²	96	81.7 Å²	81.7	51%	0.513	43%	0.428	S	S	.	.	H	α-helix	trans	-65.5	-38.7	177	-72.5	-20.5	0	0	0	112.1	N449 N450 L456 S457	N449-N453 WeakPolarHBondContact O-CB 3.48Å; N449-N453 PolarHBondContact O-N 2.95Å; N449-N453 PolarHBondContact O-ND2 3.46Å; N450-N453 PolarHBondContact O-N 3.4Å; N453-L456 PolarHBondContact O-N 3.28Å; N453-S457 WeakPolarHBondContact O-CB 3.49Å; N453-S457 PolarHBondContact O-N 2.57Å; N453-S457 PolarHBondContact O-OG 3.26Å
454	E	82.5	Confident	72.1	Confident	145 Å²	145	84.9 Å²	84.9	68%	0.678	43%	0.432	S	S	*	.	H	α-helix	trans	-60.9	-44.9	172.3	-171.3	-178	161.7	0	0	111.3	N450 S457 W458	N450-E454 PolarHBondContact O-N 3.08Å; E454-S457 PolarHBondContact O-OG 2.92Å; E454-W458 PolarHBondContact O-N 3.41Å
455	V	81.6	Confident	74.2	Confident	20 Å²	20	84 Å²	84	12%	0.121	42%	0.422	C	S	.	.	H	α-helix	trans	-64.7	-45.1	176.7	172.3	0	0	0	0	112	K219 T222 I223 E451 L452 S457 W458	K219-V455 HydrophobicContact CB-CG1 4.42Å; K219-V455 WeakPolarHBondContact CE-O 3.37Å; K219-V455 HydrophobicContact CG-CG1 4.3Å; K219-V455 WeakPolarHBondContact CG-O 3.42Å; T222-V455 HydrophobicContact CG2-CG1 4.29Å; T222-V455 HydrophobicContact CG2-CG2 3.5Å; T222-V455 VanDerWaalsContact CG2-CG2 3.5Å; I223-V455 HydrophobicContact CG1-CG1 4.19Å; E451-V455 WeakPolarHBondContact O-CG2 3.36Å; E451-V455 PolarHBondContact O-N 3.3Å; E451-V455 VanDerWaalsContact O-N 3.16Å; L452-V455 PolarHBondContact O-N 2.82Å; V455-S457 VanDerWaalsContact C-N 3.35Å; V455-S457 PolarHBondContact O-N 2.98Å; V455-W458 WeakPolarHBondContact O-CB 3.03Å; V455-W458 PolarHBondContact O-N 3.22Å
456	L	81.8	Confident	76	Confident	74 Å²	74	81.3 Å²	81.3	39%	0.387	41%	0.413	S	S	.	.	H	α-helix	trans	-67.8	-34.2	-178.5	-71.1	170.9	0	0	0	112.6	K219 I223 F412 L452 N453	K219-L456 VanDerWaalsContact CE-O 3.26Å; K219-L456 WeakPolarHBondContact CE-O 3.34Å; K219-L456 PolarHBondContact NZ-O 3.31Å; I223-L456 HydrophobicContact CD1-CD2 4.26Å; F412-L456 HydrophobicContact CD1-CD2 4.11Å; F412-L456 HydrophobicContact CE1-CD2 3.67Å; L452-L456 WeakPolarHBondContact O-CB 3.48Å; L452-L456 VanDerWaalsContact O-CG 3.26Å; L452-L456 WeakPolarHBondContact O-CG 3.35Å; L452-L456 PolarHBondContact O-N 3.35Å; N453-L456 PolarHBondContact O-N 3.28Å
457	S	85.1	Confident	77.7	Confident	84 Å²	84	83 Å²	83	59%	0.587	42%	0.416	S	S	*	.	H	α-helix	trans	-81.6	-12.5	176.1	57.7	0	0	0	0	114.4	N453 E454 V455 K459	N453-S457 WeakPolarHBondContact O-CB 3.49Å; N453-S457 PolarHBondContact O-N 2.57Å; N453-S457 PolarHBondContact O-OG 3.26Å; E454-S457 PolarHBondContact O-OG 2.92Å; V455-S457 VanDerWaalsContact C-N 3.35Å; V455-S457 PolarHBondContact O-N 2.98Å; S457-K459 PolarHBondContact O-N 3.16Å
458	W	90.6	Very high	78.8	Confident	59 Å²	59	80.9 Å²	80.9	22%	0.223	42%	0.418	C	S	.	.			trans	-56.2	137.7	176.5	-173.9	78.6	0	0	0	112.4	E215 V218 K219 K258 E454 V455 L460	E215-W458 HydrophobicContact CG-CZ3 4.19Å; V218-W458 HydrophobicContact CB-CE3 3.91Å; V218-W458 HydrophobicContact CB-CH2 4.19Å; V218-W458 HydrophobicContact CB-CZ3 3.55Å; V218-W458 HydrophobicContact CG1-CD2 4.13Å; V218-W458 HydrophobicContact CG1-CE3 3.67Å; V218-W458 HydrophobicContact CG1-CH2 4.1Å; V218-W458 HydrophobicContact CG1-CZ3 3.66Å; V218-W458 HydrophobicContact CG2-CE3 4.45Å; V218-W458 HydrophobicContact CG2-CH2 3.84Å; V218-W458 HydrophobicContact CG2-CZ3 3.62Å; K219-W458 WeakPolarHBondContact CE-O 3.39Å; K219-W458 PolarHBondContact NZ-O 2.79Å; K258-W458 HydrophobicContact CB-CZ2 4.18Å; K258-W458 HydrophobicContact CD-CZ2 3.96Å; K258-W458 HydrophobicContact CG-CH2 4.14Å; K258-W458 HydrophobicContact CG-CZ2 3.7Å; E454-W458 PolarHBondContact O-N 3.41Å; V455-W458 WeakPolarHBondContact O-CB 3.03Å; V455-W458 PolarHBondContact O-N 3.22Å; W458-L460 HydrophobicContact CH2-CB 4.11Å; W458-L460 HydrophobicContact CH2-CD1 3.91Å; W458-L460 HydrophobicContact CZ3-CB 4.27Å
459	K	90.9	Very high	79.5	Confident	108 Å²	108	83.2 Å²	83.2	47%	0.47	44%	0.436	S	S	.	.			trans	-122.1	150.7	174.4	-65.6	-175.9	-179	-178.6	0	110.5	E215 S457 T461 D463	E215-K459 VanDerWaalsContact OE1-CA 3.22Å; E215-K459 WeakPolarHBondContact OE1-CA 3.41Å; E215-K459 WeakPolarHBondContact OE1-CB 3.49Å; S457-K459 PolarHBondContact O-N 3.16Å; K459-T461 VanDerWaalsContact C-N 3.35Å; K459-D463 IonicContact NZ-OD1 2.61Å; K459-D463 PolarHBondContact NZ-OD1 3.42Å
460	L	91.9	Very high	80.2	Confident	20 Å²	20	85.3 Å²	85.3	11%	0.105	44%	0.443	C	S	.	.	S	Bend	trans	-73.9	-30.8	175.4	177.9	57.6	0	0	0	111.9	V211 L214 E215 V261 D262 R265 W458	V211-L460 HydrophobicContact CG1-CB 4.29Å; V211-L460 HydrophobicContact CG1-CD2 4.32Å; L214-L460 HydrophobicContact CB-CD2 3.84Å; L214-L460 HydrophobicContact CD1-CD2 3.84Å; E215-L460 HydrophobicContact CG-CB 3.74Å; E215-L460 PolarHBondContact OE1-N 2.89Å; V261-L460 HydrophobicContact CG1-CD1 3.86Å; V261-L460 HydrophobicContact CG1-CD2 4.22Å; D262-L460 HydrophobicContact CB-CD1 3.94Å; R265-L460 HydrophobicContact CB-CD2 4.07Å; R265-L460 HydrophobicContact CG-CD2 3.95Å; W458-L460 HydrophobicContact CH2-CB 4.11Å; W458-L460 HydrophobicContact CH2-CD1 3.91Å; W458-L460 HydrophobicContact CZ3-CB 4.27Å
461	T	90.8	Very high	80.9	Confident	17 Å²	17	84 Å²	84	10%	0.104	44%	0.441	C	S	.	.	S	Bend	trans	-128.5	149.7	-172.2	50	0	0	0	0	111.1	K459 Y465 Y476	K459-T461 VanDerWaalsContact C-N 3.35Å; T461-Y465 HydrophobicContact CG2-CD1 3.74Å; T461-Y465 HydrophobicContact CG2-CE1 4.2Å; T461-Y476 HydrophobicContact CG2-CE2 4.43Å; T461-Y476 PolarHBondContact OG1-OH 2.69Å
462	P	87.8	Confident	81.7	Confident	86 Å²	86	81.6 Å²	81.6	56%	0.558	43%	0.432	S	S	*	.			trans	-58.6	153.9	170.3	-24.5	35.7	0	0	0	113	N464 Y465	P462-N464 WeakPolarHBondContact CB-OD1 3.33Å; P462-N464 PolarHBondContact O-N 3.18Å; P462-N464 VanDerWaalsContact O-N 3.1Å; P462-Y465 PolarHBondContact O-N 3.4Å; P462-Y465 VanDerWaalsContact O-N 3.08Å
463	D	83.2	Confident	82.6	Confident	137 Å²	137	80.2 Å²	80.2	73%	0.733	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-16.8	-178.8	-63.9	-61.3	0	0	0	114.7	K459	K459-D463 IonicContact NZ-OD1 2.61Å; K459-D463 PolarHBondContact NZ-OD1 3.42Å
464	N	80.1	Confident	83.5	Confident	122 Å²	122	76.6 Å²	76.6	65%	0.652	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	17.8	176.9	68	-12.9	0	0	0	113.7	P462	P462-N464 WeakPolarHBondContact CB-OD1 3.33Å; P462-N464 PolarHBondContact O-N 3.18Å; P462-N464 VanDerWaalsContact O-N 3.1Å
465	Y	82.1	Confident	84.2	Confident	73 Å²	73	69.7 Å²	69.7	29%	0.286	38%	0.375	S	S	.	.			trans	-118.3	134.9	177.5	-171.5	-97.2	0	0	0	111.8	T461 P462 L467 P473 Y476	T461-Y465 HydrophobicContact CG2-CD1 3.74Å; T461-Y465 HydrophobicContact CG2-CE1 4.2Å; P462-Y465 PolarHBondContact O-N 3.4Å; P462-Y465 VanDerWaalsContact O-N 3.08Å; Y465-L467 HydrophobicContact CD2-CD1 4.48Å; Y465-P473 HydrophobicContact CE1-CG 4.03Å; Y465-Y476 AromaticContact CD1-CE2 3.79Å; Y465-Y476 HydrophobicContact CD1-CE2 3.79Å; Y465-Y476 AromaticContact CD1-CZ 3.97Å; Y465-Y476 WeakPolarHBondContact CD1-OH 3.31Å; Y465-Y476 AromaticContact CE1-CE2 3.77Å; Y465-Y476 HydrophobicContact CE1-CE2 3.77Å; Y465-Y476 PolarHBondContact O-OH 3.21Å
466	P	79.5	Confident	84.8	Confident	32 Å²	32	71 Å²	71	21%	0.208	38%	0.379	C	S	.	.	S	Bend	cis	-70	158.7	-4.5	32.2	-38.4	0	0	0	112.9	P472 P473 Y476	P466-P472 HydrophobicContact CG-CB 4.41Å; P466-P473 HydrophobicContact CB-CG 4.43Å; P466-Y476 HydrophobicContact CG-CD1 4.37Å; P466-Y476 HydrophobicContact CG-CE1 4.41Å
467	L	78.3	Confident	85.3	Confident	95 Å²	95	67.8 Å²	67.8	50%	0.497	36%	0.362	S	S	.	.			trans	-73	134.4	173.8	-67.8	95.5	0	0	0	110.7	Y465 D469 Q470	Y465-L467 HydrophobicContact CD2-CD1 4.48Å; L467-D469 PolarHBondContact O-N 3.5Å; L467-Q470 PolarHBondContact O-N 2.98Å
468	N	71	Confident	85.9	Confident	120 Å²	120	63.8 Å²	63.8	64%	0.642	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-23.1	-176.6	-66.3	-22.6	0	0	0	115	L295 Q470	L295-N468 VanDerWaalsContact CD1-O 3.23Å; L295-N468 WeakPolarHBondContact CD1-O 3.41Å; N468-Q470 VanDerWaalsContact C-N 3.33Å
469	D	71.8	Confident	86.2	Confident	134 Å²	134	61 Å²	61	72%	0.717	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-13.2	179.8	-63.7	-57	0	0	0	114.1	L467	L467-D469 PolarHBondContact O-N 3.5Å
470	Q	74.1	Confident	86.5	Confident	131 Å²	131	56 Å²	56	61%	0.612	30%	0.302	S	S	*	.	S	Bend	trans	-111.2	152.1	-176.2	-65.6	-167.8	5.2	0	0	112	L467 N468	L467-Q470 PolarHBondContact O-N 2.98Å; N468-Q470 VanDerWaalsContact C-N 3.33Å
471	P	79.1	Confident	86.8	Confident	83 Å²	83	55.6 Å²	55.6	54%	0.539	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-61.9	138.6	170.5	27.8	-34.4	0	0	0	109.8
472	P	85.3	Confident	87.2	Confident	31 Å²	31	54.8 Å²	54.8	20%	0.201	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-59.1	137	-179.4	21.6	-32.1	0	0	0	111.1	L294 P466 L477	L294-P472 HydrophobicContact CD1-CG 4.03Å; P466-P472 HydrophobicContact CG-CB 4.41Å; P472-L477 HydrophobicContact CB-CD2 4.4Å; P472-L477 HydrophobicContact CB-CG 4.34Å; P472-L477 HydrophobicContact CG-CD1 4.24Å; P472-L477 HydrophobicContact CG-CD2 3.95Å; P472-L477 HydrophobicContact CG-CG 4.27Å; P472-L477 VanDerWaalsContact O-CD1 3.25Å; P472-L477 WeakPolarHBondContact O-CD1 3.29Å
473	P	92.3	Very high	87.7	Confident	18 Å²	18	50.7 Å²	50.7	12%	0.117	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-70.1	157.4	-175.6	30.6	-37.1	0	0	0	111.3	Y465 P466 S475 Y476	Y465-P473 HydrophobicContact CE1-CG 4.03Å; P466-P473 HydrophobicContact CB-CG 4.43Å; P473-S475 PolarHBondContact O-N 2.91Å; P473-S475 VanDerWaalsContact O-N 3.1Å; P473-Y476 HydrophobicContact CG-CD2 3.71Å; P473-Y476 HydrophobicContact CG-CE2 4.31Å; P473-Y476 HydrophobicContact CG-CG 4.36Å; P473-Y476 PolarHBondContact O-N 3Å
474	P	95.1	Very high	88.4	Confident	19 Å²	19	44.2 Å²	44.2	12%	0.123	23%	0.234	C	C	.	.	H	α-helix	trans	-48.2	-40.5	-178.3	-34.4	40.1	0	0	0	115.4	F268 D269 L272 Y476 L477 Y478	F268-P474 HydrophobicContact CD1-CB 4.16Å; F268-P474 HydrophobicContact CE1-CB 3.9Å; D269-P474 WeakPolarHBondContact OD1-CD 3.32Å; L272-P474 HydrophobicContact CB-CB 4.17Å; L272-P474 HydrophobicContact CD2-CB 3.69Å; L272-P474 HydrophobicContact CD2-CG 4.31Å; P474-Y476 PolarHBondContact O-N 3.36Å; P474-L477 PolarHBondContact O-N 3.39Å; P474-Y478 HydrophobicContact CB-CD2 4.47Å; P474-Y478 PolarHBondContact O-N 3.49Å
475	S	96.1	Very high	89.3	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-61.2	-21.9	179.3	50.4	0	0	0	0	114.9	V210 V211 D269 P473	V210-S475 WeakPolarHBondContact CB-O 3.47Å; V210-S475 PolarHBondContact N-O 3.48Å; V211-S475 PolarHBondContact N-O 3.29Å; D269-S475 WeakPolarHBondContact OD1-CB 3.25Å; D269-S475 PolarHBondContact OD1-N 3.02Å; D269-S475 PolarHBondContact OD1-OG 3.04Å; D269-S475 PolarHBondContact OD2-OG 3.13Å; P473-S475 PolarHBondContact O-N 2.91Å; P473-S475 VanDerWaalsContact O-N 3.1Å
476	Y	93.8	Very high	90.1	Very high	49 Å²	49	35.6 Å²	35.6	19%	0.192	19%	0.191	C	C	.	.	H	α-helix	trans	-88.5	-16.4	174.8	-84	-112.6	0	0	0	113.4	N209 V211 T461 Y465 P466 P473 P474	N209-Y476 WeakPolarHBondContact CB-O 3.36Å; N209-Y476 WeakPolarHBondContact ND2-CA 3.34Å; N209-Y476 PolarHBondContact ND2-O 3.16Å; V211-Y476 HydrophobicContact CG2-CD2 3.72Å; V211-Y476 HydrophobicContact CG2-CE2 3.58Å; T461-Y476 HydrophobicContact CG2-CE2 4.43Å; T461-Y476 PolarHBondContact OG1-OH 2.69Å; Y465-Y476 AromaticContact CD1-CE2 3.79Å; Y465-Y476 HydrophobicContact CD1-CE2 3.79Å; Y465-Y476 AromaticContact CD1-CZ 3.97Å; Y465-Y476 WeakPolarHBondContact CD1-OH 3.31Å; Y465-Y476 AromaticContact CE1-CE2 3.77Å; Y465-Y476 HydrophobicContact CE1-CE2 3.77Å; Y465-Y476 PolarHBondContact O-OH 3.21Å; P466-Y476 HydrophobicContact CG-CD1 4.37Å; P466-Y476 HydrophobicContact CG-CE1 4.41Å; P473-Y476 HydrophobicContact CG-CD2 3.71Å; P473-Y476 HydrophobicContact CG-CE2 4.31Å; P473-Y476 HydrophobicContact CG-CG 4.36Å; P473-Y476 PolarHBondContact O-N 3Å; P474-Y476 PolarHBondContact O-N 3.36Å
477	L	93.5	Very high	90.9	Very high	5 Å²	5	34.1 Å²	34.1	3%	0.026	18%	0.182	C	C	.	.	H	α-helix	trans	-105.6	-41.9	-171.3	-68.1	167.9	0	0	0	112.7	V204 P205 C206 V288 L294 P472 P474	V204-L477 HydrophobicContact CG1-CB 4.16Å; P205-L477 CarbonylContact C-O 3.58Å; P205-L477 WeakPolarHBondContact CA-O 3.41Å; P205-L477 HydrophobicContact CB-CD2 4.36Å; C206-L477 PolarHBondContact N-O 3.41Å; V288-L477 HydrophobicContact CG1-CD1 3.6Å; V288-L477 HydrophobicContact CG1-CD2 3.83Å; V288-L477 HydrophobicContact CG1-CG 4.24Å; L294-L477 HydrophobicContact CD1-CD2 3.46Å; L294-L477 VanDerWaalsContact CD1-CD2 3.46Å; P472-L477 HydrophobicContact CB-CD2 4.4Å; P472-L477 HydrophobicContact CB-CG 4.34Å; P472-L477 HydrophobicContact CG-CD1 4.24Å; P472-L477 HydrophobicContact CG-CD2 3.95Å; P472-L477 HydrophobicContact CG-CG 4.27Å; P472-L477 VanDerWaalsContact O-CD1 3.25Å; P472-L477 WeakPolarHBondContact O-CD1 3.29Å; P474-L477 PolarHBondContact O-N 3.39Å
478	Y	96.6	Very high	91.9	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.179	C	C	.	.			trans	-100.2	164.4	-173.1	-70.5	-93.2	0	0	0	111.5	V204 N209 V210 L272 L277 F285 P474 H482	V204-Y478 HydrophobicContact CG1-CE2 4.32Å; V204-Y478 HydrophobicContact CG2-CD1 3.89Å; V204-Y478 HydrophobicContact CG2-CE1 3.66Å; N209-Y478 CarbonylContact C-O 3.58Å; N209-Y478 WeakPolarHBondContact CA-O 3.3Å; N209-Y478 WeakPolarHBondContact CB-O 3.37Å; V210-Y478 WeakPolarHBondContact CG2-O 3.5Å; V210-Y478 PolarHBondContact N-O 2.55Å; L272-Y478 HydrophobicContact CD2-CD1 4.03Å; L272-Y478 HydrophobicContact CD2-CD2 3.27Å; L272-Y478 HydrophobicContact CD2-CE1 4.14Å; L272-Y478 HydrophobicContact CD2-CE2 3.43Å; L272-Y478 VanDerWaalsContact CD2-CE2 3.43Å; L272-Y478 HydrophobicContact CD2-CG 3.61Å; L277-Y478 HydrophobicContact CD2-CE1 4.29Å; F285-Y478 WeakPolarHBondContact CA-OH 3.32Å; F285-Y478 HydrophobicContact CD2-CE2 4.13Å; P474-Y478 HydrophobicContact CB-CD2 4.47Å; P474-Y478 PolarHBondContact O-N 3.49Å; Y478-H482 AromaticContact CD1-CD2 3.89Å; Y478-H482 AromaticContact CD1-CE1 3.64Å; Y478-H482 AromaticContact CD1-CG 3.71Å; Y478-H482 AromaticContact CD1-ND1 3.56Å; Y478-H482 AromaticContact CD1-NE2 3.84Å
479	G	96.9	Very high	93.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.162	C	C	.	.			trans	-122.8	-158.2	-169.7	0	0	0	0	0	114.6	C206 Q481 H482 L483	C206-G479 PolarHBondContact SG-N 2.96Å; G479-Q481 VanDerWaalsContact C-N 3.28Å; G479-Q481 PolarHBondContact O-N 3.1Å; G479-H482 PolarHBondContact O-N 3.49Å; G479-L483 WeakPolarHBondContact O-CB 3.42Å; G479-L483 PolarHBondContact O-N 3.29Å; G479-L483 VanDerWaalsContact O-N 3.1Å
480	S	97.8	Very high	94.2	Very high	5 Å²	5	24.3 Å²	24.3	4%	0.035	13%	0.129	C	C	.	.	H	α-helix	trans	-54.8	-37.5	-177.5	54	0	0	0	0	114.1	L483 L484 F525 F526	S480-L483 PolarHBondContact O-N 2.98Å; S480-L484 WeakPolarHBondContact O-CB 3.35Å; S480-L484 PolarHBondContact O-N 3.1Å; S480-F525 VanDerWaalsContact CB-O 3.31Å; S480-F525 WeakPolarHBondContact CB-O 3.48Å; S480-F525 PolarHBondContact OG-O 3.44Å; S480-F526 WeakPolarHBondContact O-CE1 3.37Å
481	Q	97.9	Very high	95.2	Very high	10 Å²	10	19.5 Å²	19.5	5%	0.047	11%	0.109	C	C	.	.	H	α-helix	trans	-58.7	-57	-177	-59.5	77.2	10.6	0	0	110.1	V202 G479 L484 R485 A530 Y531	V202-Q481 HydrophobicContact CG2-CB 4.24Å; V202-Q481 HydrophobicContact CG2-CG 4.08Å; G479-Q481 VanDerWaalsContact C-N 3.28Å; G479-Q481 PolarHBondContact O-N 3.1Å; Q481-L484 PolarHBondContact O-N 3.42Å; Q481-R485 PolarHBondContact O-N 3.32Å; Q481-A530 VanDerWaalsContact NE2-CB 3.34Å; Q481-Y531 HydrophobicContact CG-CE1 4.37Å; Q481-Y531 HydrophobicContact CG-CE2 4.47Å; Q481-Y531 WeakPolarHBondContact CG-OH 3.08Å
482	H	98.4	Very high	95.9	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-68.6	-36.8	179	-56.1	80.7	0	0	0	112.3	F268 L272 E281 Y478 G479 L484 R485 L486	F268-H482 HydrophobicContact CE2-CB 3.76Å; F268-H482 HydrophobicContact CZ-CB 3.75Å; L272-H482 HydrophobicContact CD1-CB 3.8Å; E281-H482 IonicContact OE1-CD2 2.64Å; E281-H482 IonicContact OE1-CE1 2.72Å; E281-H482 IonicContact OE1-NE2 3.69Å; E281-H482 PolarHBondContact OE1-NE2 3.34Å; Y478-H482 AromaticContact CD1-CD2 3.89Å; Y478-H482 AromaticContact CD1-CE1 3.64Å; Y478-H482 AromaticContact CD1-CG 3.71Å; Y478-H482 AromaticContact CD1-ND1 3.56Å; Y478-H482 AromaticContact CD1-NE2 3.84Å; G479-H482 PolarHBondContact O-N 3.49Å; H482-L484 VanDerWaalsContact C-N 3.28Å; H482-L484 PolarHBondContact O-N 3.14Å; H482-R485 PolarHBondContact CD2-NH1 3.05Å; H482-R485 PolarHBondContact NE2-NH1 2.89Å; H482-R485 PolarHBondContact NE2-NH2 3.25Å; H482-R485 WeakPolarHBondContact O-CB 3.43Å; H482-R485 PolarHBondContact O-N 3.18Å; H482-L486 PolarHBondContact O-N 2.9Å
483	L	98.6	Very high	96.3	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-61.1	-38.5	175.7	-176.3	59.8	0	0	0	111.6	V210 I213 L214 F268 G479 S480 L486 F487 F514	V210-L483 HydrophobicContact CG1-CD1 3.91Å; V210-L483 HydrophobicContact CG1-CD2 4.05Å; V210-L483 HydrophobicContact CG1-CG 4.48Å; V210-L483 HydrophobicContact CG2-CB 3.99Å; V210-L483 HydrophobicContact CG2-CD1 4.4Å; V210-L483 HydrophobicContact CG2-CD2 4.33Å; V210-L483 HydrophobicContact CG2-CG 4.48Å; I213-L483 HydrophobicContact CB-CD2 4.48Å; I213-L483 HydrophobicContact CD1-CD2 4.49Å; I213-L483 HydrophobicContact CG2-CD2 4.09Å; L214-L483 HydrophobicContact CD2-CD2 4.44Å; F268-L483 HydrophobicContact CD2-CD1 4.26Å; G479-L483 WeakPolarHBondContact O-CB 3.42Å; G479-L483 PolarHBondContact O-N 3.29Å; G479-L483 VanDerWaalsContact O-N 3.1Å; S480-L483 PolarHBondContact O-N 2.98Å; L483-L486 WeakPolarHBondContact O-CB 3.33Å; L483-L486 PolarHBondContact O-N 3.08Å; L483-F487 VanDerWaalsContact O-CD2 3.31Å; L483-F487 WeakPolarHBondContact O-CD2 3.48Å; L483-F514 HydrophobicContact CD2-CE1 4.22Å; L483-F514 HydrophobicContact CD2-CZ 3.82Å
484	L	98.6	Very high	96.4	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.01	10%	0.103	C	C	.	.	H	α-helix	trans	-68.1	-35.2	176.6	-175.3	58.6	0	0	0	112.2	L184 K187 L188 S480 Q481 H482 L486 F487 L515 F526	L184-L484 HydrophobicContact CB-CD1 4.07Å; L184-L484 HydrophobicContact CB-CD2 3.99Å; L184-L484 HydrophobicContact CD1-CD1 3.99Å; L184-L484 HydrophobicContact CD2-CD2 4.22Å; L184-L484 HydrophobicContact CG-CD1 4.5Å; K187-L484 HydrophobicContact CB-CD2 4.31Å; L188-L484 HydrophobicContact CD1-CD2 4.33Å; L188-L484 HydrophobicContact CD1-CG 4.06Å; L188-L484 HydrophobicContact CD2-CB 4.46Å; L188-L484 HydrophobicContact CD2-CD2 4.25Å; L188-L484 HydrophobicContact CD2-CG 3.96Å; L188-L484 HydrophobicContact CG-CD2 3.81Å; L188-L484 HydrophobicContact CG-CG 3.86Å; S480-L484 WeakPolarHBondContact O-CB 3.35Å; S480-L484 PolarHBondContact O-N 3.1Å; Q481-L484 PolarHBondContact O-N 3.42Å; H482-L484 VanDerWaalsContact C-N 3.28Å; H482-L484 PolarHBondContact O-N 3.14Å; L484-L486 PolarHBondContact O-N 2.83Å; L484-F487 PolarHBondContact O-N 2.8Å; L484-F487 VanDerWaalsContact O-N 3.11Å; L484-L515 HydrophobicContact CD1-CD2 3.98Å; L484-F526 HydrophobicContact CB-CE1 3.91Å; L484-F526 HydrophobicContact CB-CZ 3.98Å; L484-F526 HydrophobicContact CD2-CE1 3.67Å; L484-F526 HydrophobicContact CD2-CZ 3.66Å; L484-F526 HydrophobicContact CG-CE1 4.43Å; L484-F526 HydrophobicContact CG-CZ 4.34Å
485	R	98.3	Very high	96.3	Very high	13 Å²	13	19.8 Å²	19.8	5%	0.049	10%	0.1	C	C	.	.	H	α-helix	trans	-60.6	-31.9	173	-60.4	-178.6	-159	157	7.8	112.5	L188 D191 L276 E281 Q481 H482 F487 V488	L188-R485 HydrophobicContact CD2-CG 3.96Å; D191-R485 IonicContact OD1-CZ 3.02Å; D191-R485 IonicContact OD1-NE 2.94Å; D191-R485 IonicContact OD1-NH2 2.69Å; D191-R485 PolarHBondContact OD1-NH2 3.25Å; D191-R485 IonicContact OD2-CZ 3.61Å; D191-R485 IonicContact OD2-NE 2.66Å; D191-R485 PolarHBondContact OD2-NE 3.03Å; D191-R485 IonicContact OD2-NH2 3.82Å; D191-R485 PolarHBondContact OD2-NH2 3.13Å; L276-R485 HydrophobicContact CD2-CB 4.43Å; L276-R485 VanDerWaalsContact O-CD 3.25Å; L276-R485 WeakPolarHBondContact O-CD 3.19Å; L276-R485 PolarHBondContact O-NH1 3.03Å; E281-R485 VanDerWaalsContact CD-NH1 3.34Å; E281-R485 IonicContact OE1-CZ 3.11Å; E281-R485 IonicContact OE1-NH1 3.12Å; E281-R485 PolarHBondContact OE1-NH1 3.29Å; E281-R485 VanDerWaalsContact OE1-NH1 3.16Å; E281-R485 IonicContact OE1-NH2 3.5Å; E281-R485 PolarHBondContact OE1-NH2 3.43Å; E281-R485 IonicContact OE2-CZ 2.69Å; E281-R485 IonicContact OE2-NH1 3.81Å; E281-R485 PolarHBondContact OE2-NH1 3.2Å; E281-R485 IonicContact OE2-NH2 3.73Å; Q481-R485 PolarHBondContact O-N 3.32Å; H482-R485 PolarHBondContact CD2-NH1 3.05Å; H482-R485 PolarHBondContact NE2-NH1 2.89Å; H482-R485 PolarHBondContact NE2-NH2 3.25Å; H482-R485 WeakPolarHBondContact O-CB 3.43Å; H482-R485 PolarHBondContact O-N 3.18Å; R485-F487 PolarHBondContact O-N 3.06Å; R485-V488 WeakPolarHBondContact O-CB 3.4Å; R485-V488 PolarHBondContact O-N 3.29Å; R485-V488 VanDerWaalsContact O-N 3.09Å
486	L	98.4	Very high	96	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-56.6	-40.2	174.8	175.9	56.9	0	0	0	111.1	L264 T267 F268 T271 L276 H482 L483 L484 V488 K489 L490 I493	L264-L486 HydrophobicContact CD2-CD2 4.13Å; T267-L486 HydrophobicContact CG2-CD1 3.91Å; T267-L486 HydrophobicContact CG2-CD2 4.26Å; F268-L486 HydrophobicContact CB-CD2 4.07Å; F268-L486 HydrophobicContact CD2-CD2 4.44Å; T271-L486 HydrophobicContact CG2-CD1 4.48Å; L276-L486 HydrophobicContact CD1-CB 3.86Å; L276-L486 HydrophobicContact CD1-CD1 4.31Å; H482-L486 PolarHBondContact O-N 2.9Å; L483-L486 WeakPolarHBondContact O-CB 3.33Å; L483-L486 PolarHBondContact O-N 3.08Å; L484-L486 PolarHBondContact O-N 2.83Å; L486-V488 PolarHBondContact O-N 2.86Å; L486-K489 CarbonylContact O-C 3.36Å; L486-K489 PolarHBondContact O-N 2.93Å; L486-L490 HydrophobicContact CD1-CD1 4.47Å; L486-L490 WeakPolarHBondContact O-CB 3.38Å; L486-L490 PolarHBondContact O-N 3.1Å; L486-I493 HydrophobicContact CD1-CD1 4.07Å
487	F	98.3	Very high	95.8	Very high	1 Å²	1	28.3 Å²	28.3	0%	0.004	14%	0.141	C	C	.	.	H	α-helix	trans	-66.1	-19.1	-179.5	-70.8	-94.9	0	0	0	114	I180 L264 L483 L484 R485 L490 P491 L511 F514 L515	I180-F487 HydrophobicContact CD1-CB 4.23Å; L264-F487 HydrophobicContact CD1-CZ 3.93Å; L264-F487 HydrophobicContact CD2-CE1 4.29Å; L264-F487 HydrophobicContact CD2-CE2 4.21Å; L264-F487 HydrophobicContact CD2-CZ 3.66Å; L264-F487 HydrophobicContact CG-CZ 4.48Å; L483-F487 VanDerWaalsContact O-CD2 3.31Å; L483-F487 WeakPolarHBondContact O-CD2 3.48Å; L484-F487 PolarHBondContact O-N 2.8Å; L484-F487 VanDerWaalsContact O-N 3.11Å; R485-F487 PolarHBondContact O-N 3.06Å; F487-L490 HydrophobicContact CD1-CD2 4.19Å; F487-L490 HydrophobicContact CE1-CD2 4.19Å; F487-P491 WeakPolarHBondContact O-CD 3.49Å; F487-L511 HydrophobicContact CE1-CB 4.2Å; F487-L511 HydrophobicContact CE1-CD2 3.72Å; F487-L511 HydrophobicContact CZ-CD2 4.24Å; F487-F514 HydrophobicContact CE1-CD1 4.05Å; F487-F514 AromaticContact CE2-CD1 3.84Å; F487-F514 HydrophobicContact CE2-CD1 3.84Å; F487-F514 AromaticContact CE2-CE1 3.65Å; F487-F514 HydrophobicContact CE2-CE1 3.65Å; F487-F514 AromaticContact CZ-CD1 3.3Å; F487-F514 HydrophobicContact CZ-CD1 3.3Å; F487-F514 AromaticContact CZ-CE1 3.59Å; F487-F514 HydrophobicContact CZ-CE1 3.59Å; F487-F514 HydrophobicContact CZ-CG 4.4Å; F487-L515 HydrophobicContact CB-CD2 4.13Å; F487-L515 HydrophobicContact CD1-CD1 3.7Å; F487-L515 HydrophobicContact CD1-CD2 3.84Å; F487-L515 HydrophobicContact CD1-CG 3.74Å; F487-L515 HydrophobicContact CD2-CD2 4.24Å; F487-L515 HydrophobicContact CE1-CD1 4.3Å; F487-L515 HydrophobicContact CE1-CD2 4.34Å; F487-L515 HydrophobicContact CE1-CG 4.01Å; F487-L515 HydrophobicContact CG-CD1 4.33Å; F487-L515 HydrophobicContact CG-CD2 3.79Å; F487-L515 HydrophobicContact CG-CG 4.23Å
488	V	97.4	Very high	95.5	Very high	73 Å²	73	37.4 Å²	37.4	44%	0.442	18%	0.183	S	C	.	.	H	α-helix	trans	-74	-32	171	-172.9	0	0	0	0	111.3	I180 L188 R485 L486	I180-V488 HydrophobicContact CD1-CG2 4.08Å; L188-V488 HydrophobicContact CD1-CG2 3.61Å; L188-V488 HydrophobicContact CD2-CG2 4.19Å; R485-V488 WeakPolarHBondContact O-CB 3.4Å; R485-V488 PolarHBondContact O-N 3.29Å; R485-V488 VanDerWaalsContact O-N 3.09Å; L486-V488 PolarHBondContact O-N 2.86Å
489	K	96.6	Very high	95.2	Very high	65 Å²	65	39.4 Å²	39.4	28%	0.283	19%	0.193	S	C	.	.	H	α-helix	trans	-101.4	-15.4	-179	-71.8	-56.1	-165.5	175.5	0	115	I275 L276 L486 P491 E492 I493	I275-K489 HydrophobicContact CD1-CB 4.01Å; I275-K489 HydrophobicContact CD1-CG 4.2Å; L276-K489 HydrophobicContact CD2-CB 4.13Å; L276-K489 HydrophobicContact CD2-CG 4.13Å; L486-K489 CarbonylContact O-C 3.36Å; L486-K489 PolarHBondContact O-N 2.93Å; K489-P491 VanDerWaalsContact C-CD 3.44Å; K489-E492 WeakPolarHBondContact CD-OE1 3.47Å; K489-E492 WeakPolarHBondContact CD-OE2 3.46Å; K489-E492 IonicContact NZ-OE1 2.72Å; K489-E492 PolarHBondContact NZ-OE1 2.88Å; K489-E492 IonicContact NZ-OE2 3.59Å; K489-E492 PolarHBondContact NZ-OE2 2.92Å; K489-E492 WeakPolarHBondContact O-CB 3.44Å; K489-E492 PolarHBondContact O-N 3.13Å; K489-E492 VanDerWaalsContact O-N 3.13Å; K489-I493 WeakPolarHBondContact O-CG1 3.25Å; K489-I493 PolarHBondContact O-N 2.86Å
490	L	95.9	Very high	95	Very high	6 Å²	6	42.9 Å²	42.9	3%	0.031	22%	0.216	C	C	.	.	H	α-helix	trans	-58.8	-35.3	179.4	-166.9	60	0	0	0	113.7	I178 L264 T267 L486 F487 I493 L494 L511	I178-L490 HydrophobicContact CD1-CB 4.28Å; I178-L490 HydrophobicContact CD1-CD2 4.17Å; I178-L490 HydrophobicContact CD1-CG 4.18Å; L264-L490 HydrophobicContact CD2-CD2 4Å; T267-L490 HydrophobicContact CG2-CD1 4.29Å; L486-L490 HydrophobicContact CD1-CD1 4.47Å; L486-L490 WeakPolarHBondContact O-CB 3.38Å; L486-L490 PolarHBondContact O-N 3.1Å; F487-L490 HydrophobicContact CD1-CD2 4.19Å; F487-L490 HydrophobicContact CE1-CD2 4.19Å; L490-I493 PolarHBondContact O-N 3.35Å; L490-L494 HydrophobicContact CD1-CD1 4.27Å; L490-L494 HydrophobicContact CD1-CG 4.05Å; L490-L494 HydrophobicContact CD2-CD1 4.43Å; L490-L494 HydrophobicContact CG-CD1 3.83Å; L490-L494 HydrophobicContact CG-CG 4.09Å; L490-L494 WeakPolarHBondContact O-CB 3.34Å; L490-L494 VanDerWaalsContact O-CG 3.28Å; L490-L494 WeakPolarHBondContact O-CG 3.41Å; L490-L494 PolarHBondContact O-N 2.78Å; L490-L511 HydrophobicContact CD2-CD1 3.74Å; L490-L511 HydrophobicContact CD2-CD2 3.71Å; L490-L511 HydrophobicContact CD2-CG 4.36Å
491	P	95.4	Very high	94.6	Very high	29 Å²	29	48.6 Å²	48.6	19%	0.188	24%	0.242	C	C	.	.	H	α-helix	trans	-61.2	-43.1	172.4	-23.8	34.6	0	0	0	113.4	V176 I178 F487 K489 I493 L494 G495	V176-P491 HydrophobicContact CB-CB 4.14Å; V176-P491 HydrophobicContact CG1-CB 4.23Å; I178-P491 HydrophobicContact CB-CG 4.24Å; I178-P491 HydrophobicContact CD1-CG 4.03Å; I178-P491 HydrophobicContact CG1-CG 4.12Å; F487-P491 WeakPolarHBondContact O-CD 3.49Å; K489-P491 VanDerWaalsContact C-CD 3.44Å; P491-I493 VanDerWaalsContact C-N 3.29Å; P491-I493 PolarHBondContact O-N 2.88Å; P491-L494 PolarHBondContact O-N 3.17Å; P491-G495 PolarHBondContact O-N 2.96Å
492	E	93.3	Very high	94.3	Very high	105 Å²	105	57.3 Å²	57.3	49%	0.491	28%	0.275	S	S	.	.	H	α-helix	trans	-64.9	-32.9	177.8	-64.1	172.6	-151.5	0	0	112.3	K489 K496	K489-E492 WeakPolarHBondContact CD-OE1 3.47Å; K489-E492 WeakPolarHBondContact CD-OE2 3.46Å; K489-E492 IonicContact NZ-OE1 2.72Å; K489-E492 PolarHBondContact NZ-OE1 2.88Å; K489-E492 IonicContact NZ-OE2 3.59Å; K489-E492 PolarHBondContact NZ-OE2 2.92Å; K489-E492 WeakPolarHBondContact O-CB 3.44Å; K489-E492 PolarHBondContact O-N 3.13Å; K489-E492 VanDerWaalsContact O-N 3.13Å; E492-K496 WeakPolarHBondContact O-CG 3.39Å
493	I	93.8	Very high	94	Very high	37 Å²	37	60.9 Å²	60.9	19%	0.19	29%	0.294	C	S	.	.	H	α-helix	trans	-74.3	-53.2	176.8	-62.8	161.3	0	0	0	110.1	T267 T271 I275 L486 K489 L490 P491 G495 K496 M497	T267-I493 HydrophobicContact CG2-CD1 4.2Å; T271-I493 HydrophobicContact CG2-CD1 3.7Å; I275-I493 HydrophobicContact CD1-CD1 4.27Å; L486-I493 HydrophobicContact CD1-CD1 4.07Å; K489-I493 WeakPolarHBondContact O-CG1 3.25Å; K489-I493 PolarHBondContact O-N 2.86Å; L490-I493 PolarHBondContact O-N 3.35Å; P491-I493 VanDerWaalsContact C-N 3.29Å; P491-I493 PolarHBondContact O-N 2.88Å; I493-G495 PolarHBondContact O-N 3.11Å; I493-K496 PolarHBondContact O-N 3.28Å; I493-K496 VanDerWaalsContact O-N 3.11Å; I493-M497 HydrophobicContact CG2-SD 4.08Å; I493-M497 WeakPolarHBondContact O-CG 3.36Å; I493-M497 PolarHBondContact O-N 3.04Å
494	L	94.2	Very high	93.7	Very high	8 Å²	8	61.5 Å²	61.5	4%	0.042	30%	0.297	C	S	.	.	H	α-helix	trans	-64.3	-27.2	-178.2	-69.2	176.6	0	0	0	112.8	V176 I178 L490 P491 K496 M497 I499 L504 L507 L511	V176-L494 HydrophobicContact CG1-CB 4.26Å; V176-L494 HydrophobicContact CG1-CD1 4.35Å; V176-L494 HydrophobicContact CG2-CB 3.91Å; I178-L494 HydrophobicContact CD1-CD1 4.16Å; L490-L494 HydrophobicContact CD1-CD1 4.27Å; L490-L494 HydrophobicContact CD1-CG 4.05Å; L490-L494 HydrophobicContact CD2-CD1 4.43Å; L490-L494 HydrophobicContact CG-CD1 3.83Å; L490-L494 HydrophobicContact CG-CG 4.09Å; L490-L494 WeakPolarHBondContact O-CB 3.34Å; L490-L494 VanDerWaalsContact O-CG 3.28Å; L490-L494 WeakPolarHBondContact O-CG 3.41Å; L490-L494 PolarHBondContact O-N 2.78Å; P491-L494 PolarHBondContact O-N 3.17Å; L494-K496 VanDerWaalsContact C-N 3.29Å; L494-K496 PolarHBondContact O-N 2.69Å; L494-M497 HydrophobicContact CD2-SD 3.94Å; L494-M497 PolarHBondContact O-N 3.17Å; L494-M497 VanDerWaalsContact O-O 3.07Å; L494-I499 HydrophobicContact CD2-CD1 3.7Å; L494-L504 HydrophobicContact CB-CD1 4.41Å; L494-L504 HydrophobicContact CD1-CD1 4.5Å; L494-L507 HydrophobicContact CD1-CD2 4.22Å; L494-L507 HydrophobicContact CD2-CD2 3.76Å; L494-L511 HydrophobicContact CD1-CD1 3.93Å
495	G	91.8	Very high	93.4	Very high	7 Å²	7	66.9 Å²	66.9	7%	0.072	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-20.5	175.6	0	0	0	0	0	114.9	V174 P491 I493	V174-G495 PolarHBondContact N-O 3.11Å; V174-G495 WeakPolarHBondContact O-CA 3.49Å; P491-G495 PolarHBondContact O-N 2.96Å; I493-G495 PolarHBondContact O-N 3.11Å
496	K	91.4	Very high	93.1	Very high	135 Å²	135	67 Å²	67	59%	0.587	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	-26.7	174.9	-63.3	179	179	-176.5	0	112.5	E492 I493 L494 Q498	E492-K496 WeakPolarHBondContact O-CG 3.39Å; I493-K496 PolarHBondContact O-N 3.28Å; I493-K496 VanDerWaalsContact O-N 3.11Å; L494-K496 VanDerWaalsContact C-N 3.29Å; L494-K496 PolarHBondContact O-N 2.69Å; K496-Q498 PolarHBondContact O-N 3.38Å
497	M	87.8	Confident	93	Very high	94 Å²	94	69.1 Å²	69.1	46%	0.463	33%	0.332	S	S	.	.	S	Bend	trans	-70.1	121.4	170.1	-62.1	176.2	75.5	0	0	108.9	I493 L494 I499	I493-M497 HydrophobicContact CG2-SD 4.08Å; I493-M497 WeakPolarHBondContact O-CG 3.36Å; I493-M497 PolarHBondContact O-N 3.04Å; L494-M497 HydrophobicContact CD2-SD 3.94Å; L494-M497 PolarHBondContact O-N 3.17Å; L494-M497 VanDerWaalsContact O-O 3.07Å; M497-I499 HydrophobicContact CB-CD1 3.78Å; M497-I499 HydrophobicContact CB-CG1 3.76Å; M497-I499 HydrophobicContact CE-CD1 4.37Å; M497-I499 PolarHBondContact O-N 2.96Å; M497-I499 HydrophobicContact SD-CD1 4.37Å
498	Q	88.3	Confident	92.9	Very high	196 Å²	196	70.3 Å²	70.3	92%	0.916	34%	0.338	S	S	*	.			trans	-75.2	56.4	-177.3	-61.8	-176.4	36.8	0	0	112.6	K496	K496-Q498 PolarHBondContact O-N 3.38Å
499	I	90	Very high	92.7	Very high	41 Å²	41	71 Å²	71	21%	0.21	34%	0.335	C	S	.	.			trans	-78.9	127.9	-174.5	-59	171	0	0	0	109.5	L494 M497 E501 N503 L504 L507	L494-I499 HydrophobicContact CD2-CD1 3.7Å; M497-I499 HydrophobicContact CB-CD1 3.78Å; M497-I499 HydrophobicContact CB-CG1 3.76Å; M497-I499 HydrophobicContact CE-CD1 4.37Å; M497-I499 PolarHBondContact O-N 2.96Å; M497-I499 HydrophobicContact SD-CD1 4.37Å; I499-E501 PolarHBondContact O-N 2.9Å; I499-N503 HydrophobicContact CG2-CB 3.91Å; I499-L504 HydrophobicContact CB-CB 4.41Å; I499-L504 HydrophobicContact CG2-CB 3.88Å; I499-L507 HydrophobicContact CD1-CD2 4.33Å
500	P	93.1	Very high	92.7	Very high	73 Å²	73	68 Å²	68	47%	0.474	32%	0.322	S	S	.	.			trans	-55.7	130.5	174.5	-27.1	35.4	0	0	0	112.1	R502 N503 L504	P500-R502 PolarHBondContact O-N 2.74Å; P500-N503 WeakPolarHBondContact O-CA 3.14Å; P500-N503 WeakPolarHBondContact O-CB 3.44Å; P500-N503 PolarHBondContact O-N 3.31Å; P500-L504 PolarHBondContact O-N 3.07Å
501	E	90.2	Very high	92.8	Very high	126 Å²	126	67.9 Å²	67.9	59%	0.589	32%	0.322	S	S	*	.	H	α-helix	trans	-50.8	-29.3	-173.9	-165.8	-142.6	-175	0	0	114.1	I499 R505	I499-E501 PolarHBondContact O-N 2.9Å; E501-R505 VanDerWaalsContact C-NH2 3.35Å; E501-R505 WeakPolarHBondContact O-CG 3.42Å; E501-R505 PolarHBondContact O-N 2.68Å; E501-R505 PolarHBondContact O-NE 3.22Å; E501-R505 PolarHBondContact O-NH2 2.87Å; E501-R505 IonicContact OE1-CZ 2.74Å; E501-R505 IonicContact OE1-NH1 2.68Å; E501-R505 PolarHBondContact OE1-NH1 3.14Å; E501-R505 IonicContact OE1-NH2 2.68Å; E501-R505 IonicContact OE2-CZ 3.35Å; E501-R505 IonicContact OE2-NH1 3.16Å; E501-R505 PolarHBondContact OE2-NH1 3.38Å; E501-R505 IonicContact OE2-NH2 3.7Å; E501-R505 PolarHBondContact OE2-NH2 3.48Å
502	R	90.1	Very high	92.8	Very high	192 Å²	192	68.9 Å²	68.9	73%	0.725	32%	0.324	S	S	*	.	H	α-helix	trans	-67.9	-40.3	173.6	81.4	-174.3	-175.4	-177.8	-1.1	112.8	P500	P500-R502 PolarHBondContact O-N 2.74Å
503	N	92.3	Very high	92.9	Very high	76 Å²	76	66.6 Å²	66.6	41%	0.406	31%	0.314	S	S	.	.	H	α-helix	trans	-75.2	-45.4	179.5	-67.6	37.1	0	0	0	109.2	I499 P500 R505 A506 L507	I499-N503 HydrophobicContact CG2-CB 3.91Å; P500-N503 WeakPolarHBondContact O-CA 3.14Å; P500-N503 WeakPolarHBondContact O-CB 3.44Å; P500-N503 PolarHBondContact O-N 3.31Å; N503-R505 VanDerWaalsContact C-N 3.32Å; N503-R505 PolarHBondContact O-N 2.96Å; N503-A506 WeakPolarHBondContact O-CA 3.35Å; N503-A506 WeakPolarHBondContact O-CB 3.37Å; N503-A506 PolarHBondContact O-N 3.25Å; N503-L507 PolarHBondContact O-N 3.46Å
504	L	93.1	Very high	93.1	Very high	13 Å²	13	64.8 Å²	64.8	7%	0.068	31%	0.305	C	S	.	.	H	α-helix	trans	-55.3	-44.1	177.8	-179.9	60.8	0	0	0	112.1	V174 V176 L494 I499 P500 A506 L507 I508	V174-L504 HydrophobicContact CG1-CD2 3.92Å; V176-L504 HydrophobicContact CG2-CD1 4.21Å; V176-L504 HydrophobicContact CG2-CD2 4.15Å; L494-L504 HydrophobicContact CB-CD1 4.41Å; L494-L504 HydrophobicContact CD1-CD1 4.5Å; I499-L504 HydrophobicContact CB-CB 4.41Å; I499-L504 HydrophobicContact CG2-CB 3.88Å; P500-L504 PolarHBondContact O-N 3.07Å; L504-A506 VanDerWaalsContact C-N 3.29Å; L504-A506 PolarHBondContact O-N 2.97Å; L504-L507 PolarHBondContact O-N 3.18Å; L504-I508 HydrophobicContact CD1-CD1 4.02Å; L504-I508 HydrophobicContact CD1-CG1 4.22Å; L504-I508 HydrophobicContact CG-CD1 3.88Å; L504-I508 VanDerWaalsContact O-CG1 3.29Å; L504-I508 WeakPolarHBondContact O-CG1 3.38Å; L504-I508 PolarHBondContact O-N 2.92Å
505	R	91.9	Very high	93.3	Very high	115 Å²	115	64.4 Å²	64.4	43%	0.434	30%	0.303	S	S	.	.	H	α-helix	trans	-68.2	-20.2	175	-75.1	178	-63	-139.4	-11.8	115.1	E501 N503 K509	E501-R505 VanDerWaalsContact C-NH2 3.35Å; E501-R505 WeakPolarHBondContact O-CG 3.42Å; E501-R505 PolarHBondContact O-N 2.68Å; E501-R505 PolarHBondContact O-NE 3.22Å; E501-R505 PolarHBondContact O-NH2 2.87Å; E501-R505 IonicContact OE1-CZ 2.74Å; E501-R505 IonicContact OE1-NH1 2.68Å; E501-R505 PolarHBondContact OE1-NH1 3.14Å; E501-R505 IonicContact OE1-NH2 2.68Å; E501-R505 IonicContact OE2-CZ 3.35Å; E501-R505 IonicContact OE2-NH1 3.16Å; E501-R505 PolarHBondContact OE2-NH1 3.38Å; E501-R505 IonicContact OE2-NH2 3.7Å; E501-R505 PolarHBondContact OE2-NH2 3.48Å; N503-R505 VanDerWaalsContact C-N 3.32Å; N503-R505 PolarHBondContact O-N 2.96Å; R505-K509 WeakPolarHBondContact O-CG 3.22Å
506	A	92.9	Very high	93.6	Very high	15 Å²	15	69.8 Å²	69.8	12%	0.124	32%	0.322	C	S	.	.	H	α-helix	trans	-81.3	-43.5	171.5	0	0	0	0	0	110.3	P250 N503 L504 K509 H510	P250-A506 HydrophobicContact CB-CB 4.11Å; P250-A506 HydrophobicContact CG-CB 4.41Å; N503-A506 WeakPolarHBondContact O-CA 3.35Å; N503-A506 WeakPolarHBondContact O-CB 3.37Å; N503-A506 PolarHBondContact O-N 3.25Å; L504-A506 VanDerWaalsContact C-N 3.29Å; L504-A506 PolarHBondContact O-N 2.97Å; A506-K509 PolarHBondContact O-N 3.23Å; A506-H510 PolarHBondContact O-CD2 3.47Å; A506-H510 PolarHBondContact O-N 3.17Å
507	L	95.4	Very high	93.9	Very high	45 Å²	45	63.7 Å²	63.7	24%	0.236	30%	0.295	C	S	.	.	H	α-helix	trans	-58.7	-51.5	176	178.3	59.9	0	0	0	112	M260 L494 I499 N503 L504 K509 H510 L511	M260-L507 HydrophobicContact CB-CD1 4.16Å; M260-L507 HydrophobicContact CG-CD1 3.77Å; L494-L507 HydrophobicContact CD1-CD2 4.22Å; L494-L507 HydrophobicContact CD2-CD2 3.76Å; I499-L507 HydrophobicContact CD1-CD2 4.33Å; N503-L507 PolarHBondContact O-N 3.46Å; L504-L507 PolarHBondContact O-N 3.18Å; L507-K509 PolarHBondContact O-N 3Å; L507-H510 PolarHBondContact O-N 3.32Å; L507-H510 VanDerWaalsContact O-N 3.09Å; L507-L511 HydrophobicContact CD1-CD1 4.09Å; L507-L511 HydrophobicContact CD1-CG 4.17Å; L507-L511 HydrophobicContact CG-CD1 3.83Å; L507-L511 HydrophobicContact CG-CG 4.37Å; L507-L511 WeakPolarHBondContact O-CG 3.4Å; L507-L511 PolarHBondContact O-N 2.91Å
508	I	95.3	Very high	94.3	Very high	26 Å²	26	59.2 Å²	59.2	13%	0.133	27%	0.273	C	S	.	.	H	α-helix	trans	-54	-40.6	178.1	-68.4	163.9	0	0	0	111.3	V176 L504 L511 E512	V176-I508 HydrophobicContact CG1-CD1 4.09Å; V176-I508 HydrophobicContact CG1-CG1 4.37Å; L504-I508 HydrophobicContact CD1-CD1 4.02Å; L504-I508 HydrophobicContact CD1-CG1 4.22Å; L504-I508 HydrophobicContact CG-CD1 3.88Å; L504-I508 VanDerWaalsContact O-CG1 3.29Å; L504-I508 WeakPolarHBondContact O-CG1 3.38Å; L504-I508 PolarHBondContact O-N 2.92Å; I508-L511 WeakPolarHBondContact O-CB 3.38Å; I508-L511 PolarHBondContact O-N 3.02Å; I508-E512 HydrophobicContact CG2-CG 4.38Å; I508-E512 WeakPolarHBondContact O-CG 3.23Å; I508-E512 PolarHBondContact O-N 3.35Å
509	K	94.5	Very high	94.8	Very high	87 Å²	87	50.7 Å²	50.7	38%	0.378	24%	0.236	S	C	.	.	H	α-helix	trans	-69.2	-37.3	179.7	-68.3	-179.5	-167.7	-173.2	0	113.3	E251 R505 A506 L507 E512 L513	E251-K509 HydrophobicContact CG-CB 4.02Å; E251-K509 HydrophobicContact CG-CD 3.47Å; E251-K509 VanDerWaalsContact CG-CD 3.47Å; E251-K509 HydrophobicContact CG-CG 4.42Å; E251-K509 VanDerWaalsContact OE1-CD 3.25Å; E251-K509 WeakPolarHBondContact OE1-CD 3.47Å; E251-K509 IonicContact OE1-NZ 2.99Å; E251-K509 PolarHBondContact OE1-NZ 3.46Å; R505-K509 WeakPolarHBondContact O-CG 3.22Å; A506-K509 PolarHBondContact O-N 3.23Å; L507-K509 PolarHBondContact O-N 3Å; K509-E512 PolarHBondContact O-N 3.38Å; K509-L513 VanDerWaalsContact O-CG 3.24Å; K509-L513 WeakPolarHBondContact O-CG 3.18Å; K509-L513 PolarHBondContact O-N 3.28Å
510	H	95.8	Very high	95.1	Very high	3 Å²	3	54.6 Å²	54.6	1%	0.014	25%	0.253	C	S	.	.	H	α-helix	trans	-67.4	-37.9	171.9	-78.7	-70.6	0	0	0	111.3	F221 P250 S253 M260 A506 L507 L513 F514	F221-H510 AromaticContact CE2-ND1 3.99Å; F221-H510 AromaticContact CZ-CE1 3.81Å; P250-H510 PolarHBondContact O-NE2 2.88Å; S253-H510 PolarHBondContact O-CE1 3.36Å; M260-H510 HydrophobicContact CE-CB 4.16Å; M260-H510 HydrophobicContact CG-CB 4.49Å; M260-H510 HydrophobicContact SD-CB 3.38Å; M260-H510 WeakPolarHBondContact SD-CB 3.48Å; A506-H510 PolarHBondContact O-CD2 3.47Å; A506-H510 PolarHBondContact O-N 3.17Å; L507-H510 PolarHBondContact O-N 3.32Å; L507-H510 VanDerWaalsContact O-N 3.09Å; H510-L513 PolarHBondContact O-N 3.33Å; H510-L513 VanDerWaalsContact O-N 3.14Å; H510-F514 PolarHBondContact O-N 2.99Å
511	L	97.5	Very high	95.1	Very high	3 Å²	3	53.2 Å²	53.2	2%	0.016	24%	0.24	C	C	.	.	H	α-helix	trans	-63.7	-41.2	174.7	-67.1	168.4	0	0	0	111.7	I178 M260 L264 F487 L490 L494 L507 I508 F514 L515	I178-L511 HydrophobicContact CD1-CD1 4Å; M260-L511 HydrophobicContact CG-CD2 3.89Å; M260-L511 HydrophobicContact CG-CG 4.34Å; M260-L511 HydrophobicContact SD-CB 4.34Å; M260-L511 HydrophobicContact SD-CD2 3.57Å; M260-L511 VanDerWaalsContact SD-CD2 3.57Å; M260-L511 HydrophobicContact SD-CG 3.77Å; M260-L511 PolarHBondContact SD-N 3.36Å; L264-L511 HydrophobicContact CD1-CD2 4.01Å; L264-L511 HydrophobicContact CD2-CD2 3.79Å; L264-L511 HydrophobicContact CG-CD2 4.08Å; F487-L511 HydrophobicContact CE1-CB 4.2Å; F487-L511 HydrophobicContact CE1-CD2 3.72Å; F487-L511 HydrophobicContact CZ-CD2 4.24Å; L490-L511 HydrophobicContact CD2-CD1 3.74Å; L490-L511 HydrophobicContact CD2-CD2 3.71Å; L490-L511 HydrophobicContact CD2-CG 4.36Å; L494-L511 HydrophobicContact CD1-CD1 3.93Å; L507-L511 HydrophobicContact CD1-CD1 4.09Å; L507-L511 HydrophobicContact CD1-CG 4.17Å; L507-L511 HydrophobicContact CG-CD1 3.83Å; L507-L511 HydrophobicContact CG-CG 4.37Å; L507-L511 WeakPolarHBondContact O-CG 3.4Å; L507-L511 PolarHBondContact O-N 2.91Å; I508-L511 WeakPolarHBondContact O-CB 3.38Å; I508-L511 PolarHBondContact O-N 3.02Å; L511-F514 PolarHBondContact O-N 3.46Å; L511-L515 WeakPolarHBondContact O-CG 3.39Å; L511-L515 PolarHBondContact O-N 3.03Å
512	E	96.4	Very high	95.3	Very high	49 Å²	49	49.7 Å²	49.7	23%	0.229	22%	0.223	C	C	.	.	H	α-helix	trans	-65.4	-34.7	171.5	-68.8	174.9	-172.4	0	0	112.7	I508 K509 L515 R516	I508-E512 HydrophobicContact CG2-CG 4.38Å; I508-E512 WeakPolarHBondContact O-CG 3.23Å; I508-E512 PolarHBondContact O-N 3.35Å; K509-E512 PolarHBondContact O-N 3.38Å; E512-L515 PolarHBondContact O-N 3.29Å; E512-R516 WeakPolarHBondContact O-CB 3.28Å; E512-R516 VanDerWaalsContact O-CG 3.23Å; E512-R516 WeakPolarHBondContact O-CG 3.26Å; E512-R516 PolarHBondContact O-N 3.02Å; E512-R516 PolarHBondContact O-NH1 3.34Å; E512-R516 IonicContact OE2-CZ 3.9Å; E512-R516 IonicContact OE2-NH1 2.94Å; E512-R516 PolarHBondContact OE2-NH1 3.18Å; E512-R516 IonicContact OE2-NH2 3.91Å; E512-R516 PolarHBondContact OE2-NH2 3.49Å
513	L	96.1	Very high	95.5	Very high	57 Å²	57	46.1 Å²	46.1	30%	0.298	22%	0.215	S	C	.	.	H	α-helix	trans	-68	-38.2	175.6	-72.6	165.6	0	0	0	111.1	Y217 F221 K509 H510 R516 F517	Y217-L513 WeakPolarHBondContact OH-CB 3.39Å; F221-L513 HydrophobicContact CE2-CD1 4.3Å; K509-L513 VanDerWaalsContact O-CG 3.24Å; K509-L513 WeakPolarHBondContact O-CG 3.18Å; K509-L513 PolarHBondContact O-N 3.28Å; H510-L513 PolarHBondContact O-N 3.33Å; H510-L513 VanDerWaalsContact O-N 3.14Å; L513-R516 PolarHBondContact O-N 3.44Å; L513-F517 PolarHBondContact O-N 3.16Å
514	F	98.1	Very high	95.5	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-64.2	-44.1	170.8	-178.5	-100.2	0	0	0	112.4	I213 L214 Y217 M260 L264 L483 F487 H510 L511 R516 F517 L518	I213-F514 HydrophobicContact CG2-CE2 4.47Å; I213-F514 HydrophobicContact CG2-CZ 4.19Å; L214-F514 HydrophobicContact CD2-CE2 3.81Å; L214-F514 HydrophobicContact CD2-CZ 3.84Å; Y217-F514 AromaticContact CD1-CD2 3.62Å; Y217-F514 HydrophobicContact CD1-CD2 3.62Å; Y217-F514 HydrophobicContact CD1-CE2 4.33Å; Y217-F514 AromaticContact CD2-CD2 3.82Å; Y217-F514 HydrophobicContact CD2-CD2 3.82Å; Y217-F514 HydrophobicContact CE1-CB 4.21Å; Y217-F514 HydrophobicContact CE1-CD2 4.04Å; Y217-F514 HydrophobicContact CE2-CB 4.22Å; Y217-F514 HydrophobicContact CE2-CD2 4.23Å; Y217-F514 AromaticContact CG-CD2 3.48Å; Y217-F514 HydrophobicContact CG-CD2 3.48Å; Y217-F514 VanDerWaalsContact CG-CD2 3.48Å; Y217-F514 HydrophobicContact CG-CE2 4.01Å; Y217-F514 PolarHBondContact OH-N 2.69Å; M260-F514 HydrophobicContact CE-CB 4.12Å; L264-F514 HydrophobicContact CD1-CD1 4.44Å; L483-F514 HydrophobicContact CD2-CE1 4.22Å; L483-F514 HydrophobicContact CD2-CZ 3.82Å; F487-F514 HydrophobicContact CE1-CD1 4.05Å; F487-F514 AromaticContact CE2-CD1 3.84Å; F487-F514 HydrophobicContact CE2-CD1 3.84Å; F487-F514 AromaticContact CE2-CE1 3.65Å; F487-F514 HydrophobicContact CE2-CE1 3.65Å; F487-F514 AromaticContact CZ-CD1 3.3Å; F487-F514 HydrophobicContact CZ-CD1 3.3Å; F487-F514 AromaticContact CZ-CE1 3.59Å; F487-F514 HydrophobicContact CZ-CE1 3.59Å; F487-F514 HydrophobicContact CZ-CG 4.4Å; H510-F514 PolarHBondContact O-N 2.99Å; L511-F514 PolarHBondContact O-N 3.46Å; F514-R516 VanDerWaalsContact C-N 3.32Å; F514-R516 PolarHBondContact O-N 3.49Å; F514-F517 HydrophobicContact CD2-CD1 4.44Å; F514-F517 HydrophobicContact CE2-CD1 4.4Å; F514-F517 WeakPolarHBondContact O-CB 2.93Å; F514-F517 PolarHBondContact O-N 3.48Å; F514-L518 HydrophobicContact CD1-CD1 4.04Å; F514-L518 HydrophobicContact CD1-CG 4.3Å; F514-L518 HydrophobicContact CE1-CD1 3.39Å; F514-L518 HydrophobicContact CE1-CD2 4.45Å; F514-L518 HydrophobicContact CE1-CG 3.83Å; F514-L518 HydrophobicContact CZ-CD1 3.87Å; F514-L518 HydrophobicContact CZ-CD2 4.11Å; F514-L518 HydrophobicContact CZ-CG 3.96Å; F514-L518 PolarHBondContact O-N 2.94Å
515	L	98.3	Very high	95.6	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-63.8	-34.8	174.9	-76.7	169.3	0	0	0	112.7	I178 I180 P181 L184 L484 F487 L511 E512 A519	I178-L515 HydrophobicContact CG2-CD1 3.64Å; I180-L515 HydrophobicContact CG1-CD1 4.26Å; P181-L515 HydrophobicContact CG-CB 4.36Å; L184-L515 HydrophobicContact CD1-CD2 3.97Å; L184-L515 WeakPolarHBondContact CD1-O 3.4Å; L484-L515 HydrophobicContact CD1-CD2 3.98Å; F487-L515 HydrophobicContact CB-CD2 4.13Å; F487-L515 HydrophobicContact CD1-CD1 3.7Å; F487-L515 HydrophobicContact CD1-CD2 3.84Å; F487-L515 HydrophobicContact CD1-CG 3.74Å; F487-L515 HydrophobicContact CD2-CD2 4.24Å; F487-L515 HydrophobicContact CE1-CD1 4.3Å; F487-L515 HydrophobicContact CE1-CD2 4.34Å; F487-L515 HydrophobicContact CE1-CG 4.01Å; F487-L515 HydrophobicContact CG-CD1 4.33Å; F487-L515 HydrophobicContact CG-CD2 3.79Å; F487-L515 HydrophobicContact CG-CG 4.23Å; L511-L515 WeakPolarHBondContact O-CG 3.39Å; L511-L515 PolarHBondContact O-N 3.03Å; E512-L515 PolarHBondContact O-N 3.29Å; L515-A519 WeakPolarHBondContact O-CB 3.32Å; L515-A519 PolarHBondContact O-N 2.74Å
516	R	97.3	Very high	95.8	Very high	120 Å²	120	41.3 Å²	41.3	45%	0.453	20%	0.197	S	C	.	.	H	α-helix	trans	-64.6	-43.5	171.7	-73.4	168.3	-166.7	112.1	5.4	111.6	E512 L513 F514 A519 E520	E512-R516 WeakPolarHBondContact O-CB 3.28Å; E512-R516 VanDerWaalsContact O-CG 3.23Å; E512-R516 WeakPolarHBondContact O-CG 3.26Å; E512-R516 PolarHBondContact O-N 3.02Å; E512-R516 PolarHBondContact O-NH1 3.34Å; E512-R516 IonicContact OE2-CZ 3.9Å; E512-R516 IonicContact OE2-NH1 2.94Å; E512-R516 PolarHBondContact OE2-NH1 3.18Å; E512-R516 IonicContact OE2-NH2 3.91Å; E512-R516 PolarHBondContact OE2-NH2 3.49Å; L513-R516 PolarHBondContact O-N 3.44Å; F514-R516 VanDerWaalsContact C-N 3.32Å; F514-R516 PolarHBondContact O-N 3.49Å; R516-A519 CarbonylContact O-C 3.55Å; R516-A519 PolarHBondContact O-N 3.2Å; R516-E520 WeakPolarHBondContact O-CB 3.39Å; R516-E520 PolarHBondContact O-N 3.09Å
517	F	97.2	Very high	95.8	Very high	7 Å²	7	42.9 Å²	42.9	3%	0.031	21%	0.206	C	C	.	.	H	α-helix	trans	-60.3	-46	174.4	166.7	-103	0	0	0	112.5	Y217 H220 L513 F514 A519 E520 F521 F525	Y217-F517 HydrophobicContact CD2-CB 3.75Å; Y217-F517 AromaticContact CD2-CD1 3.58Å; Y217-F517 HydrophobicContact CD2-CD1 3.58Å; Y217-F517 HydrophobicContact CD2-CD2 4.2Å; Y217-F517 HydrophobicContact CD2-CE1 4.16Å; Y217-F517 AromaticContact CD2-CG 3.59Å; Y217-F517 HydrophobicContact CD2-CG 3.59Å; Y217-F517 HydrophobicContact CE2-CB 3.96Å; Y217-F517 HydrophobicContact CE2-CG 4.29Å; Y217-F517 HydrophobicContact CG-CD1 4.15Å; Y217-F517 HydrophobicContact CG-CE1 4.39Å; H220-F517 HydrophobicContact CB-CD2 4.21Å; H220-F517 HydrophobicContact CB-CE2 3.73Å; H220-F517 HydrophobicContact CB-CZ 4.5Å; H220-F517 AromaticContact CE1-CD2 3.87Å; H220-F517 AromaticContact CG-CD2 3.84Å; H220-F517 AromaticContact CG-CE2 3.72Å; H220-F517 AromaticContact ND1-CD2 3.28Å; H220-F517 VanDerWaalsContact ND1-CD2 3.28Å; H220-F517 WeakPolarHBondContact ND1-CD2 3.41Å; H220-F517 AromaticContact ND1-CE2 3.67Å; L513-F517 PolarHBondContact O-N 3.16Å; F514-F517 HydrophobicContact CD2-CD1 4.44Å; F514-F517 HydrophobicContact CE2-CD1 4.4Å; F514-F517 WeakPolarHBondContact O-CB 2.93Å; F514-F517 PolarHBondContact O-N 3.48Å; F517-A519 VanDerWaalsContact C-N 3.26Å; F517-A519 PolarHBondContact O-N 3.39Å; F517-E520 PolarHBondContact O-N 3.23Å; F517-F521 AromaticContact CD2-CD2 3.46Å; F517-F521 HydrophobicContact CD2-CD2 3.46Å; F517-F521 VanDerWaalsContact CD2-CD2 3.46Å; F517-F521 AromaticContact CD2-CE2 3.58Å; F517-F521 HydrophobicContact CD2-CE2 3.58Å; F517-F521 AromaticContact CE2-CD2 3.48Å; F517-F521 HydrophobicContact CE2-CD2 3.48Å; F517-F521 VanDerWaalsContact CE2-CD2 3.48Å; F517-F521 AromaticContact CE2-CE2 3.65Å; F517-F521 HydrophobicContact CE2-CE2 3.65Å; F517-F521 HydrophobicContact CG-CD2 4.3Å; F517-F521 HydrophobicContact CZ-CD2 4.31Å; F517-F521 WeakPolarHBondContact O-CD2 3.42Å; F517-F521 PolarHBondContact O-N 3.21Å; F517-F521 VanDerWaalsContact O-N 3.13Å; F517-F525 HydrophobicContact CD1-CE2 4.2Å; F517-F525 AromaticContact CE1-CE2 3.59Å; F517-F525 HydrophobicContact CE1-CE2 3.59Å; F517-F525 AromaticContact CE1-CZ 3.61Å; F517-F525 HydrophobicContact CE1-CZ 3.61Å; F517-F525 AromaticContact CZ-CE2 3.81Å; F517-F525 HydrophobicContact CZ-CE2 3.81Å; F517-F525 AromaticContact CZ-CZ 3.69Å; F517-F525 HydrophobicContact CZ-CZ 3.69Å
518	L	97.6	Very high	95.6	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-62.4	-32.9	174.3	-72.7	-173	0	0	0	112.7	L184 I213 F514 H522 F525	L184-L518 HydrophobicContact CD1-CB 3.8Å; L184-L518 HydrophobicContact CD2-CB 4.44Å; I213-L518 HydrophobicContact CG2-CD2 3.94Å; F514-L518 HydrophobicContact CD1-CD1 4.04Å; F514-L518 HydrophobicContact CD1-CG 4.3Å; F514-L518 HydrophobicContact CE1-CD1 3.39Å; F514-L518 HydrophobicContact CE1-CD2 4.45Å; F514-L518 HydrophobicContact CE1-CG 3.83Å; F514-L518 HydrophobicContact CZ-CD1 3.87Å; F514-L518 HydrophobicContact CZ-CD2 4.11Å; F514-L518 HydrophobicContact CZ-CG 3.96Å; F514-L518 PolarHBondContact O-N 2.94Å; L518-H522 VanDerWaalsContact O-CA 3.29Å; L518-H522 WeakPolarHBondContact O-CA 3.39Å; L518-H522 WeakPolarHBondContact O-CB 3.26Å; L518-H522 PolarHBondContact O-N 3.36Å; L518-F525 HydrophobicContact CD2-CD2 3.75Å; L518-F525 HydrophobicContact CD2-CE2 3.91Å; L518-F525 HydrophobicContact CD2-CG 4.23Å
519	A	97.3	Very high	95.5	Very high	17 Å²	17	49 Å²	49	14%	0.14	24%	0.244	C	C	.	.	H	α-helix	trans	-77.2	-32.8	176.8	0	0	0	0	0	113	P181 L184 L515 R516 F517 H522	P181-A519 HydrophobicContact CB-CB 3.95Å; P181-A519 HydrophobicContact CG-CB 4.06Å; L184-A519 HydrophobicContact CD1-CB 4.04Å; L184-A519 HydrophobicContact CD2-CB 4.48Å; L184-A519 HydrophobicContact CG-CB 3.98Å; L515-A519 WeakPolarHBondContact O-CB 3.32Å; L515-A519 PolarHBondContact O-N 2.74Å; R516-A519 CarbonylContact O-C 3.55Å; R516-A519 PolarHBondContact O-N 3.2Å; F517-A519 VanDerWaalsContact C-N 3.26Å; F517-A519 PolarHBondContact O-N 3.39Å; A519-H522 PolarHBondContact O-ND1 2.96Å
520	E	95.9	Very high	95.5	Very high	123 Å²	123	45.8 Å²	45.8	58%	0.575	23%	0.233	S	C	*	.	H	α-helix	trans	-65.2	-40.4	174.8	-173.4	170.2	-166.8	0	0	111	H220 R516 F517	H220-E520 IonicContact CE1-OE2 2.73Å; R516-E520 WeakPolarHBondContact O-CB 3.39Å; R516-E520 PolarHBondContact O-N 3.09Å; F517-E520 PolarHBondContact O-N 3.23Å
521	F	94.4	Very high	95.5	Very high	43 Å²	43	46.4 Å²	46.4	19%	0.189	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.9	29.5	-174.8	-60.1	-57.5	0	0	0	113.8	H220 F411 F517 E523 F525	H220-F521 AromaticContact CE1-CE2 3.98Å; H220-F521 AromaticContact NE2-CE2 3.97Å; F411-F521 AromaticContact CD1-CD1 3.76Å; F411-F521 HydrophobicContact CD1-CD1 3.76Å; F411-F521 AromaticContact CD1-CE1 3.98Å; F411-F521 HydrophobicContact CD1-CE1 3.98Å; F411-F521 HydrophobicContact CD1-CG 4.37Å; F411-F521 HydrophobicContact CE1-CB 4.01Å; F411-F521 AromaticContact CE1-CD1 3.27Å; F411-F521 HydrophobicContact CE1-CD1 3.27Å; F411-F521 AromaticContact CE1-CE1 3.95Å; F411-F521 HydrophobicContact CE1-CE1 3.95Å; F411-F521 AromaticContact CE1-CG 3.8Å; F411-F521 HydrophobicContact CE1-CG 3.8Å; F411-F521 HydrophobicContact CE2-CB 4.36Å; F411-F521 HydrophobicContact CZ-CB 3.64Å; F411-F521 AromaticContact CZ-CD1 3.84Å; F411-F521 HydrophobicContact CZ-CD1 3.84Å; F411-F521 AromaticContact CZ-CG 3.9Å; F411-F521 HydrophobicContact CZ-CG 3.9Å; F517-F521 AromaticContact CD2-CD2 3.46Å; F517-F521 HydrophobicContact CD2-CD2 3.46Å; F517-F521 VanDerWaalsContact CD2-CD2 3.46Å; F517-F521 AromaticContact CD2-CE2 3.58Å; F517-F521 HydrophobicContact CD2-CE2 3.58Å; F517-F521 AromaticContact CE2-CD2 3.48Å; F517-F521 HydrophobicContact CE2-CD2 3.48Å; F517-F521 VanDerWaalsContact CE2-CD2 3.48Å; F517-F521 AromaticContact CE2-CE2 3.65Å; F517-F521 HydrophobicContact CE2-CE2 3.65Å; F517-F521 HydrophobicContact CG-CD2 4.3Å; F517-F521 HydrophobicContact CZ-CD2 4.31Å; F517-F521 WeakPolarHBondContact O-CD2 3.42Å; F517-F521 PolarHBondContact O-N 3.21Å; F517-F521 VanDerWaalsContact O-N 3.13Å; F521-E523 VanDerWaalsContact C-N 3.29Å; F521-E523 PolarHBondContact O-N 3.3Å; F521-F525 HydrophobicContact CB-CD2 3.7Å; F521-F525 HydrophobicContact CB-CE2 3.65Å; F521-F525 VanDerWaalsContact O-CD2 3.29Å; F521-F525 WeakPolarHBondContact O-CD2 3.48Å; F521-F525 PolarHBondContact O-N 3.2Å
522	H	94.8	Very high	95.3	Very high	52 Å²	52	47 Å²	47	24%	0.241	24%	0.239	C	C	.	.	H	α-helix	trans	-66	-20.6	-169.3	66.2	-84.8	0	0	0	115.7	V183 L184 L518 A519 F526	V183-H522 HydrophobicContact CG1-CB 4.1Å; L184-H522 HydrophobicContact CD2-CB 4.3Å; L518-H522 VanDerWaalsContact O-CA 3.29Å; L518-H522 WeakPolarHBondContact O-CA 3.39Å; L518-H522 WeakPolarHBondContact O-CB 3.26Å; L518-H522 PolarHBondContact O-N 3.36Å; A519-H522 PolarHBondContact O-ND1 2.96Å; H522-F526 HydrophobicContact CB-CD2 4.31Å; H522-F526 WeakPolarHBondContact O-CB 3.47Å; H522-F526 WeakPolarHBondContact O-CD2 3.48Å; H522-F526 PolarHBondContact O-N 3.17Å
523	E	93.1	Very high	95.1	Very high	117 Å²	117	47 Å²	47	55%	0.547	24%	0.244	S	C	.	.	H	α-helix	trans	-81.2	-43.1	-178.4	-70.1	-62.2	89.4	0	0	112.7	K187 F521	K187-E523 WeakPolarHBondContact CE-OE1 3.3Å; K187-E523 IonicContact NZ-OE1 2.69Å; K187-E523 PolarHBondContact NZ-OE1 2.61Å; F521-E523 VanDerWaalsContact C-N 3.29Å; F521-E523 PolarHBondContact O-N 3.3Å
524	D	93	Very high	94.4	Very high	80 Å²	80	46.2 Å²	46.2	43%	0.428	25%	0.246	S	C	.	.	H	α-helix	trans	-73.9	-31.9	172.9	-46.3	-103.3	0	0	0	111.7	F411	F411-D524 HydrophobicContact CE1-CB 4.46Å; F411-D524 HydrophobicContact CE2-CB 4.13Å; F411-D524 HydrophobicContact CZ-CB 3.59Å; F411-D524 WeakPolarHBondContact CZ-OD2 3.47Å
525	F	94.2	Very high	93.7	Very high	14 Å²	14	50.5 Å²	50.5	6%	0.061	28%	0.276	C	S	.	.	H	α-helix	trans	-75.6	-33.1	176.2	-75.8	-47.2	0	0	0	113.7	I213 F411 S480 F517 L518 F521 P527	I213-F525 HydrophobicContact CB-CE1 4.36Å; I213-F525 HydrophobicContact CG1-CD1 4.18Å; I213-F525 HydrophobicContact CG1-CE1 3.94Å; I213-F525 HydrophobicContact CG2-CD1 4.47Å; I213-F525 HydrophobicContact CG2-CE1 3.99Å; I213-F525 HydrophobicContact CG2-CZ 4.2Å; F411-F525 HydrophobicContact CE2-CZ 4.38Å; S480-F525 VanDerWaalsContact CB-O 3.31Å; S480-F525 WeakPolarHBondContact CB-O 3.48Å; S480-F525 PolarHBondContact OG-O 3.44Å; F517-F525 HydrophobicContact CD1-CE2 4.2Å; F517-F525 AromaticContact CE1-CE2 3.59Å; F517-F525 HydrophobicContact CE1-CE2 3.59Å; F517-F525 AromaticContact CE1-CZ 3.61Å; F517-F525 HydrophobicContact CE1-CZ 3.61Å; F517-F525 AromaticContact CZ-CE2 3.81Å; F517-F525 HydrophobicContact CZ-CE2 3.81Å; F517-F525 AromaticContact CZ-CZ 3.69Å; F517-F525 HydrophobicContact CZ-CZ 3.69Å; L518-F525 HydrophobicContact CD2-CD2 3.75Å; L518-F525 HydrophobicContact CD2-CE2 3.91Å; L518-F525 HydrophobicContact CD2-CG 4.23Å; F521-F525 HydrophobicContact CB-CD2 3.7Å; F521-F525 HydrophobicContact CB-CE2 3.65Å; F521-F525 VanDerWaalsContact O-CD2 3.29Å; F521-F525 WeakPolarHBondContact O-CD2 3.48Å; F521-F525 PolarHBondContact O-N 3.2Å; F525-P527 WeakPolarHBondContact O-CD 3.23Å
526	F	96.4	Very high	93	Very high	10 Å²	10	54.9 Å²	54.9	4%	0.044	30%	0.296	C	S	.	.	S	Bend	trans	-124.6	63.8	-177	-55.2	-93.4	0	0	0	113.2	L184 K187 S480 L484 H522	L184-F526 HydrophobicContact CD2-CD2 4.41Å; L184-F526 HydrophobicContact CD2-CE2 3.81Å; L184-F526 HydrophobicContact CD2-CZ 4.32Å; K187-F526 HydrophobicContact CB-CD1 4.47Å; K187-F526 HydrophobicContact CB-CG 4.46Å; K187-F526 HydrophobicContact CD-CB 3.69Å; K187-F526 HydrophobicContact CD-CG 4.29Å; K187-F526 HydrophobicContact CG-CB 4.22Å; K187-F526 HydrophobicContact CG-CD2 4.49Å; K187-F526 HydrophobicContact CG-CG 4.28Å; K187-F526 PolarHBondContact NZ-O 3.26Å; S480-F526 WeakPolarHBondContact O-CE1 3.37Å; L484-F526 HydrophobicContact CB-CE1 3.91Å; L484-F526 HydrophobicContact CB-CZ 3.98Å; L484-F526 HydrophobicContact CD2-CE1 3.67Å; L484-F526 HydrophobicContact CD2-CZ 3.66Å; L484-F526 HydrophobicContact CG-CE1 4.43Å; L484-F526 HydrophobicContact CG-CZ 4.34Å; H522-F526 HydrophobicContact CB-CD2 4.31Å; H522-F526 WeakPolarHBondContact O-CB 3.47Å; H522-F526 WeakPolarHBondContact O-CD2 3.48Å; H522-F526 PolarHBondContact O-N 3.17Å
527	P	93.9	Very high	92.2	Very high	47 Å²	47	49.2 Å²	49.2	31%	0.305	28%	0.276	S	S	.	.			trans	-78	144	176.9	33.4	-36.1	0	0	0	111.9	F525 S529 A530	F525-P527 WeakPolarHBondContact O-CD 3.23Å; P527-S529 PolarHBondContact O-N 3.22Å; P527-A530 HydrophobicContact CG-CB 4.47Å; P527-A530 WeakPolarHBondContact O-CB 3.26Å; P527-A530 PolarHBondContact O-N 3.18Å
528	E	91.6	Very high	91.2	Very high	102 Å²	102	52.8 Å²	52.8	48%	0.477	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-66	-25	179.9	-152.2	-154	132.5	0	0	113	Y194 K200 A530 Y531	Y194-E528 HydrophobicContact CE1-CG 3.85Å; Y194-E528 VanDerWaalsContact CE1-OE1 3.28Å; Y194-E528 WeakPolarHBondContact CE1-OE1 3.33Å; Y194-E528 HydrophobicContact CE2-CG 4.06Å; Y194-E528 VanDerWaalsContact CZ-CG 3.49Å; Y194-E528 WeakPolarHBondContact OH-CG 3.39Å; Y194-E528 PolarHBondContact OH-OE1 3.3Å; Y194-E528 PolarHBondContact OH-OE2 2.93Å; K200-E528 IonicContact NZ-OE1 2.73Å; K200-E528 PolarHBondContact NZ-OE1 3.5Å; E528-A530 PolarHBondContact O-N 3.35Å; E528-Y531 PolarHBondContact O-N 3.3Å
529	S	92.8	Very high	90.1	Very high	99 Å²	99	58.8 Å²	58.8	69%	0.692	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-64	-14.7	176.6	52.5	0	0	0	0	114	P527 Y531	P527-S529 PolarHBondContact O-N 3.22Å; S529-Y531 PolarHBondContact O-N 3.11Å
530	A	93.6	Very high	88.8	Confident	18 Å²	18	59.4 Å²	59.4	15%	0.149	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-66.5	-22.5	170.8	0	0	0	0	0	112.7	V202 M203 Q481 P527 E528	V202-A530 CarbonylContact C-O 3.09Å; V202-A530 WeakPolarHBondContact CA-O 3.26Å; M203-A530 PolarHBondContact N-O 3.3Å; Q481-A530 VanDerWaalsContact NE2-CB 3.34Å; P527-A530 HydrophobicContact CG-CB 4.47Å; P527-A530 WeakPolarHBondContact O-CB 3.26Å; P527-A530 PolarHBondContact O-N 3.18Å; E528-A530 PolarHBondContact O-N 3.35Å
531	Y	95.5	Very high	87.4	Confident	17 Å²	17	55.1 Å²	55.1	7%	0.067	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	116	-179	-55.2	-91.5	0	0	0	111.4	D191 Y194 I195 K200 L201 V202 Q481 E528 S529	D191-Y531 WeakPolarHBondContact CA-OH 3.25Å; D191-Y531 WeakPolarHBondContact CB-OH 3.33Å; D191-Y531 PolarHBondContact OD1-OH 3.48Å; Y194-Y531 HydrophobicContact CD2-CD2 4.16Å; Y194-Y531 HydrophobicContact CD2-CE2 4.07Å; Y194-Y531 HydrophobicContact CD2-CG 4.44Å; Y194-Y531 HydrophobicContact CG-CD1 4.32Å; Y194-Y531 HydrophobicContact CG-CD2 4.34Å; Y194-Y531 HydrophobicContact CG-CG 4.19Å; I195-Y531 HydrophobicContact CD1-CE1 4.21Å; I195-Y531 HydrophobicContact CG1-CD1 4.41Å; I195-Y531 HydrophobicContact CG1-CE1 4.35Å; K200-Y531 VanDerWaalsContact CD-CB 3.44Å; K200-Y531 WeakPolarHBondContact CD-O 3.46Å; K200-Y531 PolarHBondContact NZ-O 2.83Å; L201-Y531 WeakPolarHBondContact O-CA 3.28Å; V202-Y531 HydrophobicContact CG2-CD1 3.71Å; V202-Y531 HydrophobicContact CG2-CE1 3.59Å; Q481-Y531 HydrophobicContact CG-CE1 4.37Å; Q481-Y531 HydrophobicContact CG-CE2 4.47Å; Q481-Y531 WeakPolarHBondContact CG-OH 3.08Å; E528-Y531 PolarHBondContact O-N 3.3Å; S529-Y531 PolarHBondContact O-N 3.11Å
532	V	94	Very high	85.8	Confident	15 Å²	15	61.2 Å²	61.2	9%	0.091	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	170.1	-178.7	-69.3	0	0	0	0	112.2	K200 L201 M203 E536 A537	K200-V532 CarbonylContact C-O 3.46Å; K200-V532 WeakPolarHBondContact CA-O 3.31Å; K200-V532 VanDerWaalsContact CB-O 3.27Å; K200-V532 WeakPolarHBondContact CB-O 3.27Å; L201-V532 PolarHBondContact N-O 3.26Å; L201-V532 WeakPolarHBondContact O-CG2 3.21Å; L201-V532 PolarHBondContact O-N 3.22Å; M203-V532 HydrophobicContact CG-CB 4.27Å; M203-V532 HydrophobicContact CG-CG1 3.53Å; M203-V532 HydrophobicContact CG-CG2 3.75Å; M203-V532 HydrophobicContact SD-CB 4.29Å; M203-V532 HydrophobicContact SD-CG1 3.78Å; M203-V532 HydrophobicContact SD-CG2 3.61Å; V532-E536 HydrophobicContact CB-CB 4.18Å; V532-E536 HydrophobicContact CB-CG 3.87Å; V532-E536 WeakPolarHBondContact CB-OE2 3.46Å; V532-E536 HydrophobicContact CG1-CG 4.07Å; V532-E536 HydrophobicContact CG2-CG 4.46Å; V532-A537 HydrophobicContact CG2-CB 3.81Å
533	S	91.1	Very high	83.9	Confident	48 Å²	48	64 Å²	64	34%	0.336	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	152.3	169.9	64.5	0	0	0	0	111.8	S535 E536 A537	S533-S535 VanDerWaalsContact C-N 3.28Å; S533-S535 PolarHBondContact O-N 2.84Å; S533-S535 PolarHBondContact OG-OG 3.27Å; S533-E536 PolarHBondContact N-OE2 2.62Å; S533-E536 WeakPolarHBondContact O-CB 3.44Å; S533-E536 PolarHBondContact O-N 3Å; S533-E536 VanDerWaalsContact O-N 3.09Å; S533-E536 WeakPolarHBondContact OG-CB 3.25Å; S533-E536 PolarHBondContact OG-N 3.21Å; S533-E536 PolarHBondContact OG-OE2 3.39Å; S533-A537 PolarHBondContact O-N 2.83Å
534	A	83.3	Confident	82	Confident	42 Å²	42	62.1 Å²	62.1	35%	0.347	33%	0.334	S	S	.	.	H	α-helix	trans	-58	-39.5	179.6	0	0	0	0	0	112.7	L201 E536 H538	L201-A534 HydrophobicContact CD1-CB 4.26Å; A534-E536 PolarHBondContact O-N 3.26Å; A534-H538 PolarHBondContact O-N 3.28Å; A534-H538 PolarHBondContact O-ND1 3.42Å
535	S	82.4	Confident	79.6	Confident	90 Å²	90	67.5 Å²	67.5	63%	0.629	35%	0.349	S	S	*	.	H	α-helix	trans	-60.5	-40.6	174.4	35.2	0	0	0	0	112.9	S533 H538 Y539	S533-S535 VanDerWaalsContact C-N 3.28Å; S533-S535 PolarHBondContact O-N 2.84Å; S533-S535 PolarHBondContact OG-OG 3.27Å; S535-H538 PolarHBondContact O-N 3.29Å; S535-Y539 PolarHBondContact O-N 2.7Å
536	E	84.2	Confident	76.7	Confident	91 Å²	91	71 Å²	71	43%	0.425	37%	0.373	S	S	.	.	H	α-helix	trans	-72.3	-40.4	179.5	179.4	174.9	-158	0	0	112.5	V532 S533 A534 H538 Y539 N540	V532-E536 HydrophobicContact CB-CB 4.18Å; V532-E536 HydrophobicContact CB-CG 3.87Å; V532-E536 WeakPolarHBondContact CB-OE2 3.46Å; V532-E536 HydrophobicContact CG1-CG 4.07Å; V532-E536 HydrophobicContact CG2-CG 4.46Å; S533-E536 PolarHBondContact N-OE2 2.62Å; S533-E536 WeakPolarHBondContact O-CB 3.44Å; S533-E536 PolarHBondContact O-N 3Å; S533-E536 VanDerWaalsContact O-N 3.09Å; S533-E536 WeakPolarHBondContact OG-CB 3.25Å; S533-E536 PolarHBondContact OG-N 3.21Å; S533-E536 PolarHBondContact OG-OE2 3.39Å; A534-E536 PolarHBondContact O-N 3.26Å; E536-H538 VanDerWaalsContact C-N 3.3Å; E536-H538 PolarHBondContact O-N 3.41Å; E536-Y539 PolarHBondContact O-N 2.71Å; E536-N540 PolarHBondContact O-N 3.23Å; E536-N540 PolarHBondContact O-ND2 2.97Å
537	A	79.6	Confident	73.8	Confident	2 Å²	2	76 Å²	76	2%	0.017	40%	0.404	C	S	.	.	H	α-helix	trans	-58	-44.4	167.9	0	0	0	0	0	110.9	L201 V532 S533 Y539 M541	L201-A537 HydrophobicContact CB-CB 4.22Å; L201-A537 HydrophobicContact CD1-CB 4.26Å; V532-A537 HydrophobicContact CG2-CB 3.81Å; S533-A537 PolarHBondContact O-N 2.83Å; A537-Y539 VanDerWaalsContact C-N 3.3Å; A537-Y539 PolarHBondContact O-N 2.98Å; A537-M541 VanDerWaalsContact O-CG 3.26Å; A537-M541 WeakPolarHBondContact O-CG 3.44Å; A537-M541 PolarHBondContact O-N 3.23Å
538	H	76.6	Confident	70.6	Confident	81 Å²	81	86.4 Å²	86.4	38%	0.375	44%	0.439	S	S	.	.	H	α-helix	trans	-64.7	-31.9	178.3	-79.5	74.4	0	0	0	113.5	K287 A534 S535 E536	K287-H538 PolarHBondContact NZ-O 3.22Å; A534-H538 PolarHBondContact O-N 3.28Å; A534-H538 PolarHBondContact O-ND1 3.42Å; S535-H538 PolarHBondContact O-N 3.29Å; E536-H538 VanDerWaalsContact C-N 3.3Å; E536-H538 PolarHBondContact O-N 3.41Å
539	Y	74.6	Confident	69.6	Low	127 Å²	127	85.6 Å²	85.6	50%	0.498	44%	0.437	S	S	.	.	H	α-helix	trans	-70.8	-54.7	175.2	-174.2	-79	0	0	0	112.1	S535 E536 A537 M541 K542 Q543	S535-Y539 PolarHBondContact O-N 2.7Å; E536-Y539 PolarHBondContact O-N 2.71Å; A537-Y539 VanDerWaalsContact C-N 3.3Å; A537-Y539 PolarHBondContact O-N 2.98Å; Y539-M541 PolarHBondContact O-N 3.5Å; Y539-K542 WeakPolarHBondContact O-CA 3.48Å; Y539-K542 WeakPolarHBondContact O-CB 3.37Å; Y539-K542 PolarHBondContact O-N 3.41Å; Y539-Q543 HydrophobicContact CE1-CB 4.41Å; Y539-Q543 PolarHBondContact O-N 3.02Å; Y539-Q543 PolarHBondContact OH-OE1 3.16Å
540	N	69.1	Low	68.4	Low	30 Å²	30	84.9 Å²	84.9	16%	0.16	42%	0.424	C	S	.	.	H	α-helix	trans	-62.7	-31.3	-175.6	-71.5	-74.9	0	0	0	112	M203 E536 K542 Q543	M203-N540 HydrophobicContact CE-CB 3.79Å; M203-N540 HydrophobicContact SD-CB 4.27Å; E536-N540 PolarHBondContact O-N 3.23Å; E536-N540 PolarHBondContact O-ND2 2.97Å; N540-K542 PolarHBondContact O-N 2.96Å; N540-Q543 CarbonylContact O-C 3.57Å; N540-Q543 PolarHBondContact O-N 2.64Å; N540-Q543 VanDerWaalsContact O-O 3.1Å
541	M	66.5	Low	67	Low	32 Å²	32	88.6 Å²	88.6	16%	0.158	44%	0.439	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-13	170.4	-71.8	-180	74.3	0	0	115.4	Q284 K287 V288 A537 Y539	Q284-M541 HydrophobicContact CG-SD 4.08Å; K287-M541 HydrophobicContact CB-CE 3.84Å; K287-M541 HydrophobicContact CD-CE 3.56Å; K287-M541 HydrophobicContact CD-SD 3.95Å; K287-M541 HydrophobicContact CG-CE 3.57Å; V288-M541 HydrophobicContact CB-CE 4.23Å; V288-M541 HydrophobicContact CG2-CE 3.39Å; V288-M541 HydrophobicContact CG2-SD 4.3Å; A537-M541 VanDerWaalsContact O-CG 3.26Å; A537-M541 WeakPolarHBondContact O-CG 3.44Å; A537-M541 PolarHBondContact O-N 3.23Å; Y539-M541 PolarHBondContact O-N 3.5Å
542	K	62.1	Low	65.3	Low	171 Å²	171	92.8 Å²	92.8	74%	0.743	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	-20.7	173.8	-74.1	-172.1	173.3	-171	0	113	Y539 N540	Y539-K542 WeakPolarHBondContact O-CA 3.48Å; Y539-K542 WeakPolarHBondContact O-CB 3.37Å; Y539-K542 PolarHBondContact O-N 3.41Å; N540-K542 PolarHBondContact O-N 2.96Å
543	Q	54.9	Low	63.5	Low	111 Å²	111	97.7 Å²	97.7	52%	0.519	48%	0.484	S	S	.	.	S	Bend	trans	-137.6	82.2	176.2	-73.1	-175.3	-11.5	0	0	107.9	Y539 N540 R545	Y539-Q543 HydrophobicContact CE1-CB 4.41Å; Y539-Q543 PolarHBondContact O-N 3.02Å; Y539-Q543 PolarHBondContact OH-OE1 3.16Å; N540-Q543 CarbonylContact O-C 3.57Å; N540-Q543 PolarHBondContact O-N 2.64Å; N540-Q543 VanDerWaalsContact O-O 3.1Å; Q543-R545 PolarHBondContact O-N 3.18Å
544	P	52.3	Low	61.7	Low	77 Å²	77	101 Å²	101	50%	0.5	49%	0.494	S	S	.	.			trans	-58.2	114.1	166.4	26	-32.6	0	0	0	107
545	R	42.1	Very low	60.1	Low	193 Å²	193	105.2 Å²	105.2	73%	0.728	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-64.7	132.5	177.5	-65.2	-175.4	-176.4	-177.8	1.7	107.9	Q543 V547	Q543-R545 PolarHBondContact O-N 3.18Å; R545-V547 PolarHBondContact O-N 3.08Å; R545-V547 VanDerWaalsContact O-N 3.16Å
546	P	34.3	Very low	58.4	Low	87 Å²	87	106.4 Å²	106.4	57%	0.565	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-59.2	123.5	167.7	26	-32.6	0	0	0	107.9	Y548	P546-Y548 HydrophobicContact CB-CE2 4.17Å; P546-Y548 HydrophobicContact CG-CE2 4.07Å
547	V	36	Very low	56.3	Low	117 Å²	117	107.7 Å²	107.7	71%	0.709	50%	0.501	S	S	*	.	P	Polyproline II helix	trans	-83.7	117.4	169.4	-177.8	0	0	0	0	105.9	R545	R545-V547 PolarHBondContact O-N 3.08Å; R545-V547 VanDerWaalsContact O-N 3.16Å
548	Y	26.9	Very low	54.1	Low	264 Å²	264	117.3 Å²	117.3	100%	1.035	55%	0.545	S	S	*	.			trans	-95.5	0	169.2	-75.4	-83.5	0	0	0	109.4	P546	P546-Y548 HydrophobicContact CB-CE2 4.17Å; P546-Y548 HydrophobicContact CG-CE2 4.07Å

Retrieved 548 of 548 residues in 181.2 ms (Link to these results)

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