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Elongation factor 2

Catalyzes the GTP-dependent ribosomal translocation step during translation elongation. During this step, the ribosome changes from the pre-translocational (PRE) to the post-translocational (POST) state as the newly formed A-site-bound peptidyl-tRNA and P-site-bound deacylated tRNA move to the P and E sites, respectively. Catalyzes the coordinated movement of the two tRNA molecules, the mRNA and conformational changes in the ribosome (By similarity). Involved in cold responses leading to freezing tolerance via the induction of cold-responsive genes^1,2.

AlphaFold DB , UniProt , Accession Q9ASR1, Species ARATH (Arabidopsis thaliana, Mouse-ear cress), Gene LOS1, Length 843 aa.

						>EF2_ARATH|Q9ASR1|LOS1
MVKFTADELRRIMDYKHNIRNMSVIAHVDHGKSTLTDSLVAAAGIIAQEVAGDVRMTDTRADEAERGITIKSTGISLYYEMTDESLKSFTGARDGNEYLINLIDSPGHVDFSSEVTAALRITDGALVVVDCIEGVCVQTETVLRQALGERIRPVLTVNKMDRCFLELQVDGEEAYQTFSRVIENANVIMATYEDPLLGDVQVYPEKGTVAFSAGLHGWAFTLTNFAKMYASKFGVVESKMMERLWGENFFDPATRKWSGKNTGSPTCKRGFVQFCYEPIKQIIATCMNDQKDKLWPMLAKLGVSMKNDEKELMGKPLMKRVMQTWLPASTALLEMMIFHLPSPHTAQRYRVENLYEGPLDDQYANAIRNCDPNGPLMLYVSKMIPASDKGRFFAFGRVFAGKVSTGMKVRIMGPNYIPGEKKDLYTKSVQRTVIWMGKRQETVEDVPCGNTVAMVGLDQFITKNATLTNEKEVDAHPIRAMKFSVSPVVRVAVQCKVASDLPKLVEGLKRLAKSDPMVVCTMEESGEHIVAGAGELHLEICLKDLQDDFMGGAEIIKSDPVVSFRETVCDRSTRTVMSKSPNKHNRLYMEARPMEEGLAEAIDDGRIGPRDDPKIRSKILAEEFGWDKDLAKKIWAFGPETTGPNMVVDMCKGVQYLNEIKDSVVAGFQWASKEGPLAEENMRGICFEVCDVVLHSDAIHRGGGQVIPTARRVIYASQITAKPRLLEPVYMVEIQAPEGALGGIYSVLNQKRGHVFEEMQRPGTPLYNIKAYLPVVESFGFSSQLRAATSGQAFPQCVFDHWEMMSSDPLEPGTQASVLVADIRKRKGLKEAMTPLSEFEDKL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.9	Very low	70.3	Confident	210 Å²	210	84.3 Å²	84.3	100%	1.034	42%	0.417	S	S	*	.				0	132.3	0	-88.9	-175.9	-170.8	0	0	106.4	K3 G44	M1-K3 PolarHBondContact O-N 2.77Å; M1-G44 CarbonylContact C-O 3.59Å; M1-G44 PolarHBondContact N-O 3.42Å
2	V	50.3	Low	71.9	Confident	47 Å²	47	77.4 Å²	77.4	29%	0.285	38%	0.383	S	S	.	.			trans	-56.9	129.1	170.2	-172.8	0	0	0	0	107.4	F4 I45 M436	V2-F4 HydrophobicContact CG1-CD1 3.72Å; V2-F4 HydrophobicContact CG1-CD2 4.3Å; V2-F4 HydrophobicContact CG1-CE1 3.43Å; V2-F4 VanDerWaalsContact CG1-CE1 3.43Å; V2-F4 HydrophobicContact CG1-CE2 4.03Å; V2-F4 HydrophobicContact CG1-CG 4.18Å; V2-F4 HydrophobicContact CG1-CZ 3.66Å; V2-F4 PolarHBondContact O-N 3.29Å; V2-I45 HydrophobicContact CG2-CG1 4.34Å; V2-M436 HydrophobicContact CG1-CE 4.48Å
3	K	57.7	Low	73.5	Confident	176 Å²	176	71.6 Å²	71.6	77%	0.765	35%	0.354	S	S	*	.	S	Bend	trans	-81.1	7.6	-168.8	-75.4	-173.5	176.2	180	0	114.6	M1	M1-K3 PolarHBondContact O-N 2.77Å
4	F	65.2	Low	75	Confident	34 Å²	34	71.6 Å²	71.6	15%	0.149	36%	0.357	C	S	.	.			trans	-147.3	158.3	-171.5	60.3	-94.1	0	0	0	112.9	V2 E8 L9 Y78 M436	V2-F4 HydrophobicContact CG1-CD1 3.72Å; V2-F4 HydrophobicContact CG1-CD2 4.3Å; V2-F4 HydrophobicContact CG1-CE1 3.43Å; V2-F4 VanDerWaalsContact CG1-CE1 3.43Å; V2-F4 HydrophobicContact CG1-CE2 4.03Å; V2-F4 HydrophobicContact CG1-CG 4.18Å; V2-F4 HydrophobicContact CG1-CZ 3.66Å; V2-F4 PolarHBondContact O-N 3.29Å; F4-E8 VanDerWaalsContact CA-OE2 3.23Å; F4-E8 WeakPolarHBondContact CA-OE2 3.48Å; F4-E8 HydrophobicContact CB-CB 4.35Å; F4-L9 HydrophobicContact CD2-CB 3.88Å; F4-L9 HydrophobicContact CD2-CD1 4.12Å; F4-L9 HydrophobicContact CE2-CB 3.91Å; F4-L9 HydrophobicContact CE2-CD1 3.28Å; F4-L9 HydrophobicContact CE2-CG 4.19Å; F4-L9 HydrophobicContact CZ-CD1 3.74Å; F4-Y78 HydrophobicContact CD1-CD1 4.26Å; F4-Y78 AromaticContact CD1-CG 3.91Å; F4-Y78 HydrophobicContact CD1-CG 3.91Å; F4-Y78 HydrophobicContact CE1-CG 4.33Å; F4-M436 HydrophobicContact CE1-CE 4.3Å; F4-M436 HydrophobicContact CE2-CE 3.85Å; F4-M436 HydrophobicContact CE2-SD 4.22Å; F4-M436 HydrophobicContact CZ-CE 3.3Å; F4-M436 HydrophobicContact CZ-SD 4.04Å
5	T	72.3	Confident	76.4	Confident	72 Å²	72	71.1 Å²	71.1	44%	0.442	35%	0.349	S	S	.	.			trans	-91.9	161.7	174.6	60.1	0	0	0	0	111.6	D7 E8 L9	T5-D7 PolarHBondContact O-N 3.35Å; T5-E8 PolarHBondContact N-OE2 2.94Å; T5-E8 PolarHBondContact O-N 3.21Å; T5-E8 VanDerWaalsContact OG1-CG 3.31Å; T5-E8 WeakPolarHBondContact OG1-CG 3.27Å; T5-E8 PolarHBondContact OG1-N 3.31Å; T5-E8 PolarHBondContact OG1-OE2 3.16Å; T5-L9 PolarHBondContact O-N 3.36Å; T5-L9 VanDerWaalsContact O-N 3.07Å
6	A	71.8	Confident	77.4	Confident	34 Å²	34	70.1 Å²	70.1	28%	0.281	34%	0.342	S	S	.	.	H	α-helix	trans	-58	-34.6	174.3	0	0	0	0	0	112.1	L9 R10	A6-L9 PolarHBondContact O-N 3.42Å; A6-R10 WeakPolarHBondContact O-CB 3.35Å; A6-R10 PolarHBondContact O-N 2.77Å
7	D	79.4	Confident	78.4	Confident	134 Å²	134	67.9 Å²	67.9	72%	0.717	33%	0.331	S	S	*	.	H	α-helix	trans	-69.2	-42.6	178.8	-64	-28.8	0	0	0	112.4	T5 R10 R11	T5-D7 PolarHBondContact O-N 3.35Å; D7-R10 PolarHBondContact O-N 3.18Å; D7-R11 WeakPolarHBondContact O-CB 3.3Å; D7-R11 PolarHBondContact O-N 3.44Å
8	E	80.8	Confident	79.4	Confident	83 Å²	83	64.2 Å²	64.2	39%	0.388	31%	0.313	S	S	.	.	H	α-helix	trans	-63	-44.3	174.7	-75.2	163.3	153.4	0	0	111.1	F4 T5 R10 R11 I12	F4-E8 VanDerWaalsContact CA-OE2 3.23Å; F4-E8 WeakPolarHBondContact CA-OE2 3.48Å; F4-E8 HydrophobicContact CB-CB 4.35Å; T5-E8 PolarHBondContact N-OE2 2.94Å; T5-E8 PolarHBondContact O-N 3.21Å; T5-E8 VanDerWaalsContact OG1-CG 3.31Å; T5-E8 WeakPolarHBondContact OG1-CG 3.27Å; T5-E8 PolarHBondContact OG1-N 3.31Å; T5-E8 PolarHBondContact OG1-OE2 3.16Å; E8-R10 VanDerWaalsContact C-N 3.35Å; E8-R10 PolarHBondContact O-N 3.35Å; E8-R11 PolarHBondContact O-N 2.63Å; E8-I12 WeakPolarHBondContact O-CD1 3.36Å; E8-I12 VanDerWaalsContact O-CG1 3.28Å; E8-I12 WeakPolarHBondContact O-CG1 3.39Å; E8-I12 PolarHBondContact O-N 3.03Å; E8-I12 VanDerWaalsContact O-N 3.11Å
9	L	80.6	Confident	80.3	Confident	6 Å²	6	60.8 Å²	60.8	3%	0.031	30%	0.297	C	S	.	.	H	α-helix	trans	-62.1	-45.3	176.5	-175.9	143.9	0	0	0	110.8	F4 T5 A6 R11 I12 M13 L99 I434 M436	F4-L9 HydrophobicContact CD2-CB 3.88Å; F4-L9 HydrophobicContact CD2-CD1 4.12Å; F4-L9 HydrophobicContact CE2-CB 3.91Å; F4-L9 HydrophobicContact CE2-CD1 3.28Å; F4-L9 HydrophobicContact CE2-CG 4.19Å; F4-L9 HydrophobicContact CZ-CD1 3.74Å; T5-L9 PolarHBondContact O-N 3.36Å; T5-L9 VanDerWaalsContact O-N 3.07Å; A6-L9 PolarHBondContact O-N 3.42Å; L9-R11 VanDerWaalsContact C-N 3.35Å; L9-R11 PolarHBondContact O-N 3.01Å; L9-I12 PolarHBondContact O-N 3.41Å; L9-M13 HydrophobicContact CD2-CE 3.81Å; L9-M13 HydrophobicContact CD2-CG 4.49Å; L9-M13 HydrophobicContact CD2-SD 4.28Å; L9-M13 WeakPolarHBondContact O-CG 3.07Å; L9-M13 PolarHBondContact O-N 3.18Å; L9-L99 HydrophobicContact CD1-CD1 4.12Å; L9-L99 HydrophobicContact CG-CD1 4.33Å; L9-I434 HydrophobicContact CD2-CD1 3.35Å; L9-I434 HydrophobicContact CD2-CG2 3.98Å; L9-M436 HydrophobicContact CD1-SD 3.74Å
10	R	88.3	Confident	81.1	Confident	35 Å²	35	58.2 Å²	58.2	13%	0.132	28%	0.283	C	S	.	.	H	α-helix	trans	-59.7	-44.2	175.9	176.9	57.9	-166.9	74.6	7	111.1	A6 D7 E8 I12 M13 D14 D445	A6-R10 WeakPolarHBondContact O-CB 3.35Å; A6-R10 PolarHBondContact O-N 2.77Å; D7-R10 PolarHBondContact O-N 3.18Å; E8-R10 VanDerWaalsContact C-N 3.35Å; E8-R10 PolarHBondContact O-N 3.35Å; R10-I12 VanDerWaalsContact C-N 3.31Å; R10-I12 PolarHBondContact O-N 3.33Å; R10-M13 VanDerWaalsContact O-CB 3.28Å; R10-M13 WeakPolarHBondContact O-CB 3.48Å; R10-M13 PolarHBondContact O-N 3.09Å; R10-M13 VanDerWaalsContact O-N 3.14Å; R10-D14 IonicContact CZ-OD2 2.78Å; R10-D14 IonicContact NH1-OD1 3.62Å; R10-D14 IonicContact NH1-OD2 3.33Å; R10-D14 PolarHBondContact NH1-OD2 3.14Å; R10-D14 IonicContact NH2-OD1 3.66Å; R10-D14 IonicContact NH2-OD2 3.05Å; R10-D445 WeakPolarHBondContact CD-O 3.02Å; R10-D445 IonicContact CZ-OD1 3.92Å; R10-D445 IonicContact CZ-OD2 3.88Å; R10-D445 PolarHBondContact NE-O 3.04Å; R10-D445 IonicContact NE-OD1 3.99Å; R10-D445 PolarHBondContact NE-OD1 2.96Å; R10-D445 IonicContact NE-OD2 2.64Å; R10-D445 IonicContact NH2-OD1 3.13Å; R10-D445 PolarHBondContact NH2-OD1 3.49Å; R10-D445 IonicContact NH2-OD2 3.16Å; R10-D445 PolarHBondContact NH2-OD2 3.23Å
11	R	90.9	Very high	81.7	Confident	96 Å²	96	55.5 Å²	55.5	36%	0.362	27%	0.27	S	S	.	.	H	α-helix	trans	-56.2	-44.3	177.3	179.2	-176.2	60.5	89.5	0.6	112	D7 E8 L9 M13 D14 Y15 E97	D7-R11 WeakPolarHBondContact O-CB 3.3Å; D7-R11 PolarHBondContact O-N 3.44Å; E8-R11 PolarHBondContact O-N 2.63Å; L9-R11 VanDerWaalsContact C-N 3.35Å; L9-R11 PolarHBondContact O-N 3.01Å; R11-M13 PolarHBondContact O-N 2.89Å; R11-D14 PolarHBondContact O-N 3.25Å; R11-Y15 PolarHBondContact NH1-OH 3.36Å; R11-E97 IonicContact CZ-OE1 2.65Å; R11-E97 IonicContact CZ-OE2 3.7Å; R11-E97 VanDerWaalsContact CZ-OE2 3.3Å; R11-E97 IonicContact NH1-OE2 3.96Å; R11-E97 PolarHBondContact NH1-OE2 2.81Å; R11-E97 IonicContact NH2-OE1 3.3Å; R11-E97 PolarHBondContact NH2-OE1 3.43Å; R11-E97 IonicContact NH2-OE2 3.03Å; R11-E97 PolarHBondContact NH2-OE2 2.86Å
12	I	90.1	Very high	84.5	Confident	2 Å²	2	45.5 Å²	45.5	1%	0.01	22%	0.221	C	C	.	.	H	α-helix	trans	-66.6	-26.3	-178	-62.7	160.3	0	0	0	111.6	E8 L9 R10 D14 Y15 Y78 E97 L99	E8-I12 WeakPolarHBondContact O-CD1 3.36Å; E8-I12 VanDerWaalsContact O-CG1 3.28Å; E8-I12 WeakPolarHBondContact O-CG1 3.39Å; E8-I12 PolarHBondContact O-N 3.03Å; E8-I12 VanDerWaalsContact O-N 3.11Å; L9-I12 PolarHBondContact O-N 3.41Å; R10-I12 VanDerWaalsContact C-N 3.31Å; R10-I12 PolarHBondContact O-N 3.33Å; I12-D14 PolarHBondContact O-N 2.9Å; I12-D14 VanDerWaalsContact O-N 3.14Å; I12-Y15 HydrophobicContact CB-CD2 4.46Å; I12-Y15 HydrophobicContact CG2-CD2 4.34Å; I12-Y15 WeakPolarHBondContact O-CB 3.48Å; I12-Y15 PolarHBondContact O-N 3.16Å; I12-Y78 HydrophobicContact CD1-CD2 3.46Å; I12-Y78 VanDerWaalsContact CD1-CD2 3.46Å; I12-Y78 HydrophobicContact CD1-CE2 3.39Å; I12-E97 HydrophobicContact CD1-CB 4.35Å; I12-E97 HydrophobicContact CG1-CB 4.42Å; I12-L99 HydrophobicContact CG2-CB 3.83Å
13	M	92.8	Very high	86.6	Confident	2 Å²	2	43.2 Å²	43.2	1%	0.01	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-21.6	176	-66.7	-173.5	146.9	0	0	113.9	L9 R10 R11 Y15 I19 L99 I434 V446 P447 N450	L9-M13 HydrophobicContact CD2-CE 3.81Å; L9-M13 HydrophobicContact CD2-CG 4.49Å; L9-M13 HydrophobicContact CD2-SD 4.28Å; L9-M13 WeakPolarHBondContact O-CG 3.07Å; L9-M13 PolarHBondContact O-N 3.18Å; R10-M13 VanDerWaalsContact O-CB 3.28Å; R10-M13 WeakPolarHBondContact O-CB 3.48Å; R10-M13 PolarHBondContact O-N 3.09Å; R10-M13 VanDerWaalsContact O-N 3.14Å; R11-M13 PolarHBondContact O-N 2.89Å; M13-Y15 VanDerWaalsContact C-N 3.33Å; M13-I19 WeakPolarHBondContact O-CD1 3.37Å; M13-L99 HydrophobicContact CE-CD2 4.15Å; M13-L99 HydrophobicContact CG-CD2 3.87Å; M13-I434 HydrophobicContact CE-CD1 3.36Å; M13-I434 HydrophobicContact CE-CG1 3.9Å; M13-I434 HydrophobicContact CE-CG2 4.24Å; M13-I434 HydrophobicContact SD-CD1 3.62Å; M13-V446 HydrophobicContact CE-CG1 4.47Å; M13-V446 HydrophobicContact SD-CG1 4.08Å; M13-V446 HydrophobicContact SD-CG2 4.49Å; M13-P447 HydrophobicContact CB-CG 3.81Å; M13-P447 WeakPolarHBondContact O-CG 3.35Å; M13-N450 HydrophobicContact CE-CB 4.03Å; M13-N450 WeakPolarHBondContact CG-OD1 3.26Å; M13-N450 PolarHBondContact O-ND2 2.81Å; M13-N450 HydrophobicContact SD-CB 4.36Å
14	D	94.4	Very high	88.3	Confident	72 Å²	72	34.9 Å²	34.9	39%	0.385	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-15.3	174.3	-70.9	-62.9	0	0	0	112.4	R10 R11 I12 K16 K402	R10-D14 IonicContact CZ-OD2 2.78Å; R10-D14 IonicContact NH1-OD1 3.62Å; R10-D14 IonicContact NH1-OD2 3.33Å; R10-D14 PolarHBondContact NH1-OD2 3.14Å; R10-D14 IonicContact NH2-OD1 3.66Å; R10-D14 IonicContact NH2-OD2 3.05Å; R11-D14 PolarHBondContact O-N 3.25Å; I12-D14 PolarHBondContact O-N 2.9Å; I12-D14 VanDerWaalsContact O-N 3.14Å; D14-K16 VanDerWaalsContact C-N 3.29Å; D14-K16 PolarHBondContact O-N 3.03Å; D14-K402 IonicContact OD1-NZ 3.52Å; D14-K402 PolarHBondContact OD1-NZ 3.42Å
15	Y	94.9	Very high	89.6	Confident	63 Å²	63	33.2 Å²	33.2	25%	0.247	16%	0.164	C	C	.	.			trans	-82.6	71.2	177.1	-56.6	-27.1	0	0	0	111.1	R11 I12 M13 H17 N18 I19 D94	R11-Y15 PolarHBondContact NH1-OH 3.36Å; I12-Y15 HydrophobicContact CB-CD2 4.46Å; I12-Y15 HydrophobicContact CG2-CD2 4.34Å; I12-Y15 WeakPolarHBondContact O-CB 3.48Å; I12-Y15 PolarHBondContact O-N 3.16Å; M13-Y15 VanDerWaalsContact C-N 3.33Å; Y15-H17 PolarHBondContact O-N 3.08Å; Y15-N18 WeakPolarHBondContact O-CA 3.37Å; Y15-N18 PolarHBondContact O-N 3.44Å; Y15-I19 PolarHBondContact O-N 2.93Å; Y15-D94 HydrophobicContact CD1-CB 3.89Å; Y15-D94 HydrophobicContact CG-CB 3.95Å
16	K	93	Very high	90.4	Very high	55 Å²	55	29.8 Å²	29.8	24%	0.239	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-21.6	-174.7	67.1	-175	-178.7	-175.6	0	115.4	D14 S342 P343 H344	D14-K16 VanDerWaalsContact C-N 3.29Å; D14-K16 PolarHBondContact O-N 3.03Å; K16-S342 WeakPolarHBondContact O-CB 3.21Å; K16-P343 WeakPolarHBondContact O-CD 3.28Å; K16-H344 HydrophobicContact CB-CB 4.41Å; K16-H344 HydrophobicContact CD-CB 4.05Å; K16-H344 WeakPolarHBondContact CE-ND1 3.38Å; K16-H344 HydrophobicContact CG-CB 4Å; K16-H344 PolarHBondContact NZ-ND1 2.73Å
17	H	95.1	Very high	91.2	Very high	34 Å²	34	28.8 Å²	28.8	16%	0.157	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-19	175.3	-66.5	-66.7	0	0	0	113.7	Y15 R20 A92 D94 S342 H344	Y15-H17 PolarHBondContact O-N 3.08Å; H17-R20 PolarHBondContact O-NH1 3.07Å; H17-A92 HydrophobicContact CB-CB 4.34Å; H17-D94 IonicContact CD2-OD2 2.71Å; H17-S342 WeakPolarHBondContact O-CB 3.32Å; H17-H344 AromaticContact CE1-CD2 3.23Å; H17-H344 PolarHBondContact CE1-CD2 3.4Å; H17-H344 AromaticContact CE1-CG 3.61Å; H17-H344 AromaticContact CE1-NE2 3.93Å; H17-H344 AromaticContact ND1-CD2 3.96Å
18	N	95.7	Very high	91.3	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	10%	0.104	C	C	.	.	S	Bend	trans	-104.1	6.8	-176.3	-68.3	34.9	0	0	0	113.3	Y15 R93 D94 G95 E97 Y98 L99	Y15-N18 WeakPolarHBondContact O-CA 3.37Å; Y15-N18 PolarHBondContact O-N 3.44Å; N18-R93 WeakPolarHBondContact OD1-CA 3.41Å; N18-R93 WeakPolarHBondContact OD1-CB 3.13Å; N18-D94 PolarHBondContact ND2-O 3.03Å; N18-D94 PolarHBondContact OD1-N 3.05Å; N18-G95 PolarHBondContact ND2-O 2.84Å; N18-E97 VanDerWaalsContact CB-O 3.26Å; N18-E97 WeakPolarHBondContact CB-O 3.23Å; N18-E97 PolarHBondContact ND2-O 2.81Å; N18-Y98 HydrophobicContact CB-CD1 3.85Å; N18-Y98 HydrophobicContact CB-CE1 4.04Å; N18-Y98 HydrophobicContact CB-CG 4.29Å; N18-Y98 VanDerWaalsContact O-CA 3.31Å; N18-Y98 WeakPolarHBondContact O-CA 3.4Å; N18-Y98 VanDerWaalsContact O-CD1 3.23Å; N18-Y98 WeakPolarHBondContact O-CD1 3.48Å; N18-L99 PolarHBondContact O-N 3.37Å
19	I	95.9	Very high	91.5	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	142.2	172.8	-60.6	162.1	0	0	0	109.6	M13 Y15 L99 P343 N450	M13-I19 WeakPolarHBondContact O-CD1 3.37Å; Y15-I19 PolarHBondContact O-N 2.93Å; I19-L99 CarbonylContact C-O 3.53Å; I19-L99 VanDerWaalsContact CA-O 3.29Å; I19-L99 WeakPolarHBondContact CA-O 3.36Å; I19-L99 HydrophobicContact CG1-CB 4.37Å; I19-P343 HydrophobicContact CB-CG 3.89Å; I19-P343 HydrophobicContact CG2-CG 3.81Å; I19-P343 WeakPolarHBondContact O-CD 3.41Å; I19-N450 WeakPolarHBondContact CD1-ND2 3.4Å; I19-N450 VanDerWaalsContact CD1-OD1 3.24Å; I19-N450 WeakPolarHBondContact CD1-OD1 3.46Å
20	R	96	Very high	92	Very high	8 Å²	8	23.3 Å²	23.3	3%	0.03	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	113.6	167.1	-61.7	-63.5	179.4	-87.2	-0.3	109	H17 L99 I100 N101 I337 L340	H17-R20 PolarHBondContact O-NH1 3.07Å; R20-L99 PolarHBondContact N-O 3.45Å; R20-I100 HydrophobicContact CB-CG1 4.28Å; R20-I100 CarbonylContact O-C 3.59Å; R20-I100 WeakPolarHBondContact O-CA 3.37Å; R20-N101 PolarHBondContact O-N 2.8Å; R20-I337 PolarHBondContact NE-O 3.15Å; R20-I337 PolarHBondContact NH2-O 2.93Å; R20-L340 WeakPolarHBondContact CD-O 3.45Å; R20-L340 PolarHBondContact NE-O 2.9Å
21	N	95.6	Very high	91.9	Very high	2 Å²	2	22.4 Å²	22.4	1%	0.011	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	120.7	171.4	-59.1	-50.5	0	0	0	108.5	N101 T122 D123 G124 P343 R397 G449	N21-N101 WeakPolarHBondContact OD1-CB 3.42Å; N21-N101 PolarHBondContact OD1-ND2 3.01Å; N21-T122 HydrophobicContact CB-CG2 4.47Å; N21-D123 PolarHBondContact ND2-OD2 3.27Å; N21-D123 PolarHBondContact O-N 2.86Å; N21-G124 PolarHBondContact O-N 3.3Å; N21-P343 WeakPolarHBondContact ND2-CG 3.29Å; N21-R397 VanDerWaalsContact ND2-CZ 3.3Å; N21-R397 PolarHBondContact ND2-NH1 2.77Å; N21-G449 PolarHBondContact ND2-O 3.29Å
22	M	94.3	Very high	91.8	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	150.4	-176.9	63.7	149.4	-69.2	0	0	114.4	V24 I100 N101 L102 I103 T122 G124 L126 M336 L340	M22-V24 HydrophobicContact CE-CG2 3.69Å; M22-I100 HydrophobicContact CG-CG2 4.42Å; M22-N101 PolarHBondContact N-O 2.96Å; M22-L102 HydrophobicContact CE-CD1 4.42Å; M22-L102 HydrophobicContact CE-CG 4.43Å; M22-L102 CarbonylContact O-C 3.37Å; M22-L102 WeakPolarHBondContact O-CA 3.31Å; M22-I103 PolarHBondContact O-N 3.32Å; M22-T122 VanDerWaalsContact C-CG2 3.41Å; M22-G124 CarbonylContact C-O 3.54Å; M22-G124 WeakPolarHBondContact CA-O 3.38Å; M22-G124 WeakPolarHBondContact CB-O 3.42Å; M22-L126 HydrophobicContact CE-CB 3.4Å; M22-L126 VanDerWaalsContact CE-CB 3.4Å; M22-M336 HydrophobicContact CE-CE 4.12Å; M22-M336 HydrophobicContact SD-CE 3.54Å; M22-M336 VanDerWaalsContact SD-CE 3.54Å; M22-M336 HydrophobicContact SD-CG 3.86Å; M22-M336 HydrophobicContact SD-SD 3.43Å; M22-L340 HydrophobicContact CB-CD1 3.84Å; M22-L340 HydrophobicContact CG-CD1 4.42Å; M22-L340 HydrophobicContact SD-CD1 4.18Å
23	S	93.1	Very high	91.4	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	141.8	170.1	-59.6	0	0	0	0	110.3	I103 A118 T122 G124 A125 L126	S23-I103 CarbonylContact C-O 3.51Å; S23-I103 WeakPolarHBondContact CA-O 3.44Å; S23-A118 PolarHBondContact OG-O 2.81Å; S23-T122 WeakPolarHBondContact OG-CG2 3.4Å; S23-T122 PolarHBondContact OG-OG1 3.01Å; S23-G124 PolarHBondContact N-O 3.32Å; S23-A125 CarbonylContact O-C 3.56Å; S23-A125 VanDerWaalsContact O-CA 3.24Å; S23-A125 WeakPolarHBondContact O-CA 3.33Å; S23-L126 PolarHBondContact O-N 3.29Å
24	V	93.2	Very high	91.1	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	119.7	165.7	-163.2	0	0	0	0	107.7	M22 K32 L102 I103 S105 L126 V128	M22-V24 HydrophobicContact CE-CG2 3.69Å; V24-K32 HydrophobicContact CB-CD 4.42Å; V24-K32 HydrophobicContact CB-CG 4.01Å; V24-K32 HydrophobicContact CG1-CD 4.34Å; V24-K32 HydrophobicContact CG1-CG 3.51Å; V24-L102 HydrophobicContact CG2-CD1 3.79Å; V24-L102 HydrophobicContact CG2-CD2 3.83Å; V24-L102 HydrophobicContact CG2-CG 3.79Å; V24-I103 PolarHBondContact N-O 2.9Å; V24-S105 PolarHBondContact O-N 3.22Å; V24-S105 PolarHBondContact O-OG 2.82Å; V24-L126 HydrophobicContact CG1-CB 4.37Å; V24-L126 HydrophobicContact CG1-CD2 4.22Å; V24-L126 HydrophobicContact CG1-CG 4.41Å; V24-V128 HydrophobicContact CG1-CG2 3.54Å
25	I	92.8	Very high	90.7	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	136.6	-177.8	65	-179.5	0	0	0	110	V115 L119 A125 L126 V127 V128 V142 A146	I25-V115 HydrophobicContact CG2-CG1 4.33Å; I25-L119 HydrophobicContact CG2-CD2 4.14Å; I25-A125 HydrophobicContact CD1-CB 3.76Å; I25-A125 HydrophobicContact CG1-CB 4.16Å; I25-L126 PolarHBondContact N-O 3.36Å; I25-V127 HydrophobicContact CD1-CG2 4.09Å; I25-V127 HydrophobicContact CG1-CB 4.47Å; I25-V127 HydrophobicContact CG1-CG2 4.09Å; I25-V127 CarbonylContact O-C 3.4Å; I25-V127 WeakPolarHBondContact O-CA 3.49Å; I25-V128 PolarHBondContact O-N 3.39Å; I25-V142 HydrophobicContact CB-CB 4.14Å; I25-V142 HydrophobicContact CB-CG2 3.77Å; I25-V142 HydrophobicContact CD1-CB 4.41Å; I25-V142 HydrophobicContact CD1-CG2 4.03Å; I25-V142 HydrophobicContact CG1-CG2 4.06Å; I25-A146 HydrophobicContact CD1-CB 3.98Å
26	A	90.5	Very high	90.1	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	162.5	-176.3	0	0	0	0	0	110.5	H30 K32 G107 V128	A26-H30 HydrophobicContact CB-CB 4.24Å; A26-K32 HydrophobicContact CB-CB 3.77Å; A26-K32 HydrophobicContact CB-CD 4.25Å; A26-K32 HydrophobicContact CB-CG 4.14Å; A26-G107 WeakPolarHBondContact O-CA 3.41Å; A26-V128 HydrophobicContact CB-CB 3.82Å
27	H	87.1	Confident	89.5	Confident	12 Å²	12	10.7 Å²	10.7	6%	0.056	6%	0.06	C	C	.	.			trans	-68.8	162.4	159.4	-170.2	83.1	0	0	0	111	H30 C136 Q138 T139 Q796	H27-H30 VanDerWaalsContact CB-CE1 3.47Å; H27-H30 WeakPolarHBondContact CB-CE1 3.43Å; H27-H30 AromaticContact CD2-CD2 3.81Å; H27-H30 AromaticContact CD2-NE2 3.45Å; H27-H30 PolarHBondContact CD2-NE2 2.96Å; H27-H30 AromaticContact CG-NE2 3.81Å; H27-H30 PolarHBondContact O-N 3.16Å; H27-C136 HydrophobicContact CB-CB 4.29Å; H27-C136 WeakPolarHBondContact CE1-CB 3.44Å; H27-C136 WeakPolarHBondContact ND1-CB 3.33Å; H27-Q138 HydrophobicContact CB-CB 4.35Å; H27-Q138 WeakPolarHBondContact ND1-CB 3.34Å; H27-T139 WeakPolarHBondContact CB-OG1 3.3Å; H27-Q796 PolarHBondContact CE1-NE2 3.26Å; H27-Q796 PolarHBondContact CE1-OE1 3.09Å; H27-Q796 PolarHBondContact ND1-OE1 3.16Å; H27-Q796 PolarHBondContact NE2-NE2 3.05Å
28	V	83.2	Confident	88.6	Confident	19 Å²	19	9.5 Å²	9.5	12%	0.115	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	141.7	172.4	-174.9	0	0	0	0	109.9	H30 I68 G107 H108	V28-H30 PolarHBondContact O-CD2 3.22Å; V28-H30 PolarHBondContact O-N 3.28Å; V28-I68 HydrophobicContact CG1-CG2 3.64Å; V28-G107 WeakPolarHBondContact CG2-O 3.24Å; V28-G107 PolarHBondContact N-O 3.43Å; V28-H108 HydrophobicContact CG2-CB 3.9Å
29	D	83.6	Confident	87.8	Confident	90 Å²	90	9.5 Å²	9.5	48%	0.481	6%	0.056	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	4.8	176	-66.1	-29.9	0	0	0	117.8	G31 K159	D29-G31 PolarHBondContact O-N 2.93Å; D29-K159 WeakPolarHBondContact O-CE 3.49Å; D29-K159 PolarHBondContact O-NZ 2.88Å
30	H	90.5	Very high	86.8	Confident	0 Å²	0	9.7 Å²	9.7	0%	0	6%	0.057	C	C	.	.	S	Bend	trans	-68.8	4.7	173.2	-76.9	-160.7	0	0	0	114.3	A26 H27 V28 V128 D130 E133 G134 N158	A26-H30 HydrophobicContact CB-CB 4.24Å; H27-H30 VanDerWaalsContact CB-CE1 3.47Å; H27-H30 WeakPolarHBondContact CB-CE1 3.43Å; H27-H30 AromaticContact CD2-CD2 3.81Å; H27-H30 AromaticContact CD2-NE2 3.45Å; H27-H30 PolarHBondContact CD2-NE2 2.96Å; H27-H30 AromaticContact CG-NE2 3.81Å; H27-H30 PolarHBondContact O-N 3.16Å; V28-H30 PolarHBondContact O-CD2 3.22Å; V28-H30 PolarHBondContact O-N 3.28Å; H30-V128 PolarHBondContact ND1-O 2.8Å; H30-V128 WeakPolarHBondContact O-CG1 3.28Å; H30-D130 HydrophobicContact CB-CB 4.43Å; H30-D130 PolarHBondContact ND1-N 3.25Å; H30-E133 IonicContact CD2-OE2 3.18Å; H30-E133 PolarHBondContact CD2-OE2 3.38Å; H30-E133 VanDerWaalsContact CD2-OE2 3.23Å; H30-E133 IonicContact NE2-OE2 2.78Å; H30-E133 PolarHBondContact NE2-OE2 3.08Å; H30-G134 PolarHBondContact CE1-O 3.34Å; H30-N158 PolarHBondContact O-ND2 3.08Å
31	G	88.2	Confident	85.6	Confident	15 Å²	15	9.6 Å²	9.6	16%	0.155	6%	0.057	C	C	.	.	S	Bend	trans	84.6	24	175.5	0	0	0	0	0	114.8	D29 L35 N158	D29-G31 PolarHBondContact O-N 2.93Å; G31-L35 VanDerWaalsContact O-CB 3.31Å; G31-L35 WeakPolarHBondContact O-CB 3.49Å; G31-L35 PolarHBondContact O-N 3.3Å; G31-N158 PolarHBondContact O-ND2 3.26Å
32	K	87.7	Confident	84	Confident	11 Å²	11	11.5 Å²	11.5	5%	0.048	7%	0.074	C	C	.	.	H	α-helix	trans	-54.5	-60.1	178	-176.7	-163.5	48.4	55.2	0	113.1	V24 A26 T34 L35 T36 T69 D104 S105	V24-K32 HydrophobicContact CB-CD 4.42Å; V24-K32 HydrophobicContact CB-CG 4.01Å; V24-K32 HydrophobicContact CG1-CD 4.34Å; V24-K32 HydrophobicContact CG1-CG 3.51Å; A26-K32 HydrophobicContact CB-CB 3.77Å; A26-K32 HydrophobicContact CB-CD 4.25Å; A26-K32 HydrophobicContact CB-CG 4.14Å; K32-T34 VanDerWaalsContact C-N 3.34Å; K32-T34 PolarHBondContact O-N 3.2Å; K32-L35 WeakPolarHBondContact O-CB 3.46Å; K32-L35 PolarHBondContact O-N 2.99Å; K32-L35 VanDerWaalsContact O-N 3.14Å; K32-T36 PolarHBondContact O-N 3.41Å; K32-T36 PolarHBondContact O-OG1 3.1Å; K32-T36 VanDerWaalsContact O-OG1 3.1Å; K32-T69 PolarHBondContact NZ-OG1 3.37Å; K32-D104 VanDerWaalsContact CD-OD1 3.25Å; K32-D104 WeakPolarHBondContact CD-OD1 3.38Å; K32-D104 WeakPolarHBondContact CE-OD1 3.28Å; K32-D104 WeakPolarHBondContact CG-OD1 3.47Å; K32-D104 VanDerWaalsContact NZ-CG 3.34Å; K32-D104 IonicContact NZ-OD1 2.98Å; K32-D104 PolarHBondContact NZ-OD1 3.12Å; K32-D104 IonicContact NZ-OD2 2.76Å; K32-D104 PolarHBondContact NZ-OD2 3.44Å; K32-S105 WeakPolarHBondContact CD-O 3.46Å; K32-S105 WeakPolarHBondContact CE-O 3.45Å
33	S	82.1	Confident	82.6	Confident	9 Å²	9	12.4 Å²	12.4	6%	0.063	8%	0.081	C	C	.	.	H	α-helix	trans	-62.4	-43.7	-176	-42.8	0	0	0	0	111	L35 T36 D37 T69	S33-L35 VanDerWaalsContact C-N 3.28Å; S33-L35 PolarHBondContact O-N 3.12Å; S33-T36 WeakPolarHBondContact O-CB 3.5Å; S33-T36 PolarHBondContact O-N 3.11Å; S33-T36 VanDerWaalsContact O-N 3.13Å; S33-D37 PolarHBondContact O-N 3.19Å; S33-T69 PolarHBondContact OG-OG1 3.46Å
34	T	85.5	Confident	81	Confident	22 Å²	22	13.5 Å²	13.5	14%	0.135	9%	0.092	C	C	.	.	H	α-helix	trans	-57.9	-39.6	175.9	-47.2	0	0	0	0	112.4	K32 S38 L215	K32-T34 VanDerWaalsContact C-N 3.34Å; K32-T34 PolarHBondContact O-N 3.2Å; T34-S38 PolarHBondContact O-N 3.02Å; T34-S38 PolarHBondContact O-OG 3.46Å; T34-L215 HydrophobicContact CG2-CB 4.43Å; T34-L215 HydrophobicContact CG2-CD1 4.46Å
35	L	86.3	Confident	79.2	Confident	0 Å²	0	15.7 Å²	15.7	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-70.3	-44.2	175.7	-166	68.9	0	0	0	111.3	G31 K32 S33 D37 S38 L39 L126 V128 T156 L332	G31-L35 VanDerWaalsContact O-CB 3.31Å; G31-L35 WeakPolarHBondContact O-CB 3.49Å; G31-L35 PolarHBondContact O-N 3.3Å; K32-L35 WeakPolarHBondContact O-CB 3.46Å; K32-L35 PolarHBondContact O-N 2.99Å; K32-L35 VanDerWaalsContact O-N 3.14Å; S33-L35 VanDerWaalsContact C-N 3.28Å; S33-L35 PolarHBondContact O-N 3.12Å; L35-D37 PolarHBondContact O-N 3.09Å; L35-S38 WeakPolarHBondContact O-CB 3.16Å; L35-S38 PolarHBondContact O-N 3.02Å; L35-S38 VanDerWaalsContact O-N 3.17Å; L35-L39 PolarHBondContact O-N 2.82Å; L35-L39 VanDerWaalsContact O-N 3.15Å; L35-L126 HydrophobicContact CD2-CD2 4.05Å; L35-V128 HydrophobicContact CD2-CG1 4.37Å; L35-V128 HydrophobicContact CD2-CG2 4.04Å; L35-T156 HydrophobicContact CD2-CG2 3.55Å; L35-L332 HydrophobicContact CD1-CD1 3.78Å; L35-L332 HydrophobicContact CD2-CD1 4.06Å; L35-L332 HydrophobicContact CG-CD1 3.92Å
36	T	82.8	Confident	77.2	Confident	1 Å²	1	17.5 Å²	17.5	1%	0.006	11%	0.113	C	C	.	.	H	α-helix	trans	-57.4	-47.5	175.1	-58.3	0	0	0	0	111.3	K32 S33 S38 L39 V40 T57 L102 D104	K32-T36 PolarHBondContact O-N 3.41Å; K32-T36 PolarHBondContact O-OG1 3.1Å; K32-T36 VanDerWaalsContact O-OG1 3.1Å; S33-T36 WeakPolarHBondContact O-CB 3.5Å; S33-T36 PolarHBondContact O-N 3.11Å; S33-T36 VanDerWaalsContact O-N 3.13Å; T36-S38 VanDerWaalsContact C-N 3.26Å; T36-S38 PolarHBondContact O-N 3.11Å; T36-L39 WeakPolarHBondContact O-CB 3.32Å; T36-L39 PolarHBondContact O-N 3.34Å; T36-V40 HydrophobicContact CG2-CG2 4.34Å; T36-V40 VanDerWaalsContact O-CG2 3.3Å; T36-V40 WeakPolarHBondContact O-CG2 3.11Å; T36-V40 PolarHBondContact O-N 2.8Å; T36-T57 HydrophobicContact CG2-CG2 3.61Å; T36-L102 HydrophobicContact CG2-CD1 4.12Å; T36-L102 HydrophobicContact CG2-CD2 3.36Å; T36-L102 HydrophobicContact CG2-CG 4.42Å; T36-D104 HydrophobicContact CG2-CB 4.36Å
37	D	79.8	Confident	75.3	Confident	2 Å²	2	20.4 Å²	20.4	1%	0.011	14%	0.137	C	C	.	.	H	α-helix	trans	-60.5	-36.6	177.2	-76.6	-44.8	0	0	0	112.6	S33 L35 L39 V40 A41 R55 M56 T57	S33-D37 PolarHBondContact O-N 3.19Å; L35-D37 PolarHBondContact O-N 3.09Å; D37-L39 VanDerWaalsContact C-N 3.3Å; D37-L39 PolarHBondContact O-N 3.37Å; D37-V40 PolarHBondContact O-N 3.24Å; D37-A41 WeakPolarHBondContact O-CB 3.5Å; D37-A41 PolarHBondContact O-N 3.37Å; D37-R55 WeakPolarHBondContact OD2-CA 3.33Å; D37-M56 PolarHBondContact OD1-N 3.27Å; D37-M56 PolarHBondContact OD2-N 3.03Å; D37-T57 VanDerWaalsContact OD1-CG2 3.32Å; D37-T57 WeakPolarHBondContact OD1-CG2 3.3Å; D37-T57 PolarHBondContact OD1-N 2.89Å
38	S	77	Confident	73.8	Confident	8 Å²	8	24 Å²	24	6%	0.056	15%	0.154	C	C	.	.	H	α-helix	trans	-62.8	-37.2	175	-63.6	0	0	0	0	112.1	T34 L35 T36 A42 G214	T34-S38 PolarHBondContact O-N 3.02Å; T34-S38 PolarHBondContact O-OG 3.46Å; L35-S38 WeakPolarHBondContact O-CB 3.16Å; L35-S38 PolarHBondContact O-N 3.02Å; L35-S38 VanDerWaalsContact O-N 3.17Å; T36-S38 VanDerWaalsContact C-N 3.26Å; T36-S38 PolarHBondContact O-N 3.11Å; S38-A42 WeakPolarHBondContact O-CB 3.47Å; S38-A42 PolarHBondContact O-N 3.06Å; S38-G214 PolarHBondContact OG-O 3.34Å; S38-G214 VanDerWaalsContact OG-O 3.04Å
39	L	78.6	Confident	72.3	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-67.8	-44.5	173.7	-63.1	175.5	0	0	0	111.8	L35 T36 D37 A41 A42 A43 L77 L102 L332 L333 M336	L35-L39 PolarHBondContact O-N 2.82Å; L35-L39 VanDerWaalsContact O-N 3.15Å; T36-L39 WeakPolarHBondContact O-CB 3.32Å; T36-L39 PolarHBondContact O-N 3.34Å; D37-L39 VanDerWaalsContact C-N 3.3Å; D37-L39 PolarHBondContact O-N 3.37Å; L39-A41 PolarHBondContact O-N 2.81Å; L39-A42 PolarHBondContact O-N 3.49Å; L39-A43 PolarHBondContact O-N 3.23Å; L39-A43 VanDerWaalsContact O-N 3.12Å; L39-L77 HydrophobicContact CB-CD1 4.3Å; L39-L102 HydrophobicContact CD1-CD1 3.87Å; L39-L332 HydrophobicContact CD1-CD1 4.45Å; L39-L332 HydrophobicContact CD2-CB 3.75Å; L39-L332 HydrophobicContact CD2-CD1 3.73Å; L39-L332 HydrophobicContact CD2-CG 4.37Å; L39-L332 HydrophobicContact CG-CD1 4.29Å; L39-L333 HydrophobicContact CD2-CD2 4.28Å; L39-L333 HydrophobicContact CD2-CG 4.34Å; L39-M336 HydrophobicContact CD1-CE 3.91Å
40	V	75.4	Confident	70.8	Confident	5 Å²	5	27.9 Å²	27.9	3%	0.03	17%	0.171	C	C	.	.	H	α-helix	trans	-64.6	-41.3	-179.1	177.7	0	0	0	0	111.2	T36 D37 A43 I45 I46 I75 L77	T36-V40 HydrophobicContact CG2-CG2 4.34Å; T36-V40 VanDerWaalsContact O-CG2 3.3Å; T36-V40 WeakPolarHBondContact O-CG2 3.11Å; T36-V40 PolarHBondContact O-N 2.8Å; D37-V40 PolarHBondContact O-N 3.24Å; V40-A43 PolarHBondContact O-N 3.08Å; V40-I45 HydrophobicContact CG1-CB 3.8Å; V40-I45 HydrophobicContact CG1-CD1 4.16Å; V40-I45 HydrophobicContact CG1-CG2 3.88Å; V40-I45 PolarHBondContact O-N 3.32Å; V40-I46 HydrophobicContact CB-CD1 4.09Å; V40-I46 HydrophobicContact CG1-CD1 3.5Å; V40-I46 VanDerWaalsContact CG1-CD1 3.5Å; V40-I46 HydrophobicContact CG1-CG1 3.9Å; V40-I75 HydrophobicContact CG2-CD1 3.54Å; V40-I75 HydrophobicContact CG2-CG2 4.18Å; V40-L77 HydrophobicContact CG2-CD2 4.35Å
41	A	69.7	Low	69	Low	5 Å²	5	28.1 Å²	28.1	4%	0.041	17%	0.174	C	C	.	.	H	α-helix	trans	-63.4	-42	176.5	0	0	0	0	0	112.3	D37 L39 A43 G44 I46 A51	D37-A41 WeakPolarHBondContact O-CB 3.5Å; D37-A41 PolarHBondContact O-N 3.37Å; L39-A41 PolarHBondContact O-N 2.81Å; A41-A43 VanDerWaalsContact C-N 3.29Å; A41-A43 PolarHBondContact O-N 2.96Å; A41-G44 PolarHBondContact O-N 3.26Å; A41-I46 HydrophobicContact CB-CB 4.03Å; A41-A51 HydrophobicContact CB-CB 3.35Å
42	A	63.3	Low	67.3	Low	43 Å²	43	27.7 Å²	27.7	36%	0.355	17%	0.169	S	C	.	.	H	α-helix	trans	-67.6	-28.2	178.3	0	0	0	0	0	113.7	S38 L39 G44 S329	S38-A42 WeakPolarHBondContact O-CB 3.47Å; S38-A42 PolarHBondContact O-N 3.06Å; L39-A42 PolarHBondContact O-N 3.49Å; A42-G44 PolarHBondContact O-N 3.4Å; A42-G44 VanDerWaalsContact O-N 3.14Å; A42-S329 WeakPolarHBondContact CB-OG 3.44Å
43	A	64.1	Low	65.9	Low	18 Å²	18	32.5 Å²	32.5	15%	0.149	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-0	170.4	0	0	0	0	0	113.5	L39 V40 A41 I45 L77	L39-A43 PolarHBondContact O-N 3.23Å; L39-A43 VanDerWaalsContact O-N 3.12Å; V40-A43 PolarHBondContact O-N 3.08Å; A41-A43 VanDerWaalsContact C-N 3.29Å; A41-A43 PolarHBondContact O-N 2.96Å; A43-I45 VanDerWaalsContact C-N 3.28Å; A43-I45 HydrophobicContact CB-CD1 4.27Å; A43-I45 HydrophobicContact CB-CG1 4.29Å; A43-I45 PolarHBondContact O-N 2.71Å; A43-L77 HydrophobicContact CB-CB 4.45Å; A43-L77 HydrophobicContact CB-CD2 3.72Å
44	G	60.8	Low	64.5	Low	23 Å²	23	35.1 Å²	35.1	24%	0.237	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.5	9	177.8	0	0	0	0	0	114.4	M1 A41 A42	M1-G44 CarbonylContact C-O 3.59Å; M1-G44 PolarHBondContact N-O 3.42Å; A41-G44 PolarHBondContact O-N 3.26Å; A42-G44 PolarHBondContact O-N 3.4Å; A42-G44 VanDerWaalsContact O-N 3.14Å
45	I	54.3	Low	63	Low	47 Å²	47	38.1 Å²	38.1	24%	0.241	22%	0.22	C	C	.	.	S	Bend	trans	-75.7	-34.6	176.3	-58.5	174.2	0	0	0	110.1	V2 V40 A43 I75 L77 M436	V2-I45 HydrophobicContact CG2-CG1 4.34Å; V40-I45 HydrophobicContact CG1-CB 3.8Å; V40-I45 HydrophobicContact CG1-CD1 4.16Å; V40-I45 HydrophobicContact CG1-CG2 3.88Å; V40-I45 PolarHBondContact O-N 3.32Å; A43-I45 VanDerWaalsContact C-N 3.28Å; A43-I45 HydrophobicContact CB-CD1 4.27Å; A43-I45 HydrophobicContact CB-CG1 4.29Å; A43-I45 PolarHBondContact O-N 2.71Å; I45-I75 HydrophobicContact CD1-CG2 4.23Å; I45-L77 HydrophobicContact CD1-CD2 3.62Å; I45-M436 HydrophobicContact CD1-CE 4.25Å
46	I	50.4	Low	61.4	Low	37 Å²	37	41.1 Å²	41.1	19%	0.19	23%	0.234	C	C	.	.	S	Bend	trans	-123.1	151.9	179	-55.2	167	0	0	0	109.5	V40 A41 Q48 M56	V40-I46 HydrophobicContact CB-CD1 4.09Å; V40-I46 HydrophobicContact CG1-CD1 3.5Å; V40-I46 VanDerWaalsContact CG1-CD1 3.5Å; V40-I46 HydrophobicContact CG1-CG1 3.9Å; A41-I46 HydrophobicContact CB-CB 4.03Å; I46-Q48 PolarHBondContact O-N 2.89Å; I46-M56 HydrophobicContact CD1-CB 3.9Å; I46-M56 HydrophobicContact CD1-CG 4.19Å
47	A	50.9	Low	60.1	Low	61 Å²	61	41.2 Å²	41.2	50%	0.504	24%	0.235	S	C	.	.			trans	-65	127.5	170.7	0	0	0	0	0	110.6	E49 V50 A51	A47-E49 PolarHBondContact O-N 2.88Å; A47-E49 VanDerWaalsContact O-N 3.12Å; A47-V50 HydrophobicContact CB-CG2 4.22Å; A47-V50 PolarHBondContact O-N 3.25Å; A47-A51 PolarHBondContact O-N 3.29Å
48	Q	55.6	Low	58.9	Low	89 Å²	89	41.7 Å²	41.7	42%	0.416	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-24.5	-176.9	-163.1	171	8.6	0	0	113.5	I46 V50 A51	I46-Q48 PolarHBondContact O-N 2.89Å; Q48-V50 VanDerWaalsContact C-N 3.33Å; Q48-A51 WeakPolarHBondContact O-CB 3.38Å; Q48-A51 PolarHBondContact O-N 3.33Å
49	E	52.7	Low	58	Low	135 Å²	135	45.2 Å²	45.2	63%	0.631	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-29.6	176	-74.4	169.2	-168.7	0	0	113.7	A47 R320	A47-E49 PolarHBondContact O-N 2.88Å; A47-E49 VanDerWaalsContact O-N 3.12Å; E49-R320 IonicContact OE1-NH2 2.73Å
50	V	52	Low	57.3	Low	54 Å²	54	47.4 Å²	47.4	33%	0.327	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-13.2	-178.1	-169.2	0	0	0	0	111.2	A47 Q48 G52 D53 V54	A47-V50 HydrophobicContact CB-CG2 4.22Å; A47-V50 PolarHBondContact O-N 3.25Å; Q48-V50 VanDerWaalsContact C-N 3.33Å; V50-G52 PolarHBondContact O-N 3.35Å; V50-D53 PolarHBondContact O-N 2.83Å; V50-V54 HydrophobicContact CG1-CB 3.88Å; V50-V54 HydrophobicContact CG1-CG2 3.5Å; V50-V54 PolarHBondContact O-N 3.29Å
51	A	52.2	Low	56.2	Low	6 Å²	6	51 Å²	51	5%	0.05	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	131.5	-178.7	0	0	0	0	0	111.6	A41 A47 Q48 D53 K319	A41-A51 HydrophobicContact CB-CB 3.35Å; A47-A51 PolarHBondContact O-N 3.29Å; Q48-A51 WeakPolarHBondContact O-CB 3.38Å; Q48-A51 PolarHBondContact O-N 3.33Å; A51-D53 PolarHBondContact O-N 3.17Å; A51-K319 PolarHBondContact O-NZ 2.65Å
52	G	53.5	Low	55.6	Low	6 Å²	6	51 Å²	51	6%	0.062	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.1	-24.6	-177.3	0	0	0	0	0	114.6	V50	V50-G52 PolarHBondContact O-N 3.35Å
53	D	56.3	Low	55.5	Low	111 Å²	111	49 Å²	49	59%	0.594	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-31.8	-178.8	-58.7	-30.6	0	0	0	111.9	V50 A51 K319	V50-D53 PolarHBondContact O-N 2.83Å; A51-D53 PolarHBondContact O-N 3.17Å; D53-K319 VanDerWaalsContact CG-NZ 3.29Å; D53-K319 IonicContact OD1-NZ 3.78Å; D53-K319 PolarHBondContact OD1-NZ 3.43Å; D53-K319 VanDerWaalsContact OD1-NZ 3.16Å; D53-K319 IonicContact OD2-NZ 3.38Å; D53-K319 PolarHBondContact OD2-NZ 3.26Å
54	V	53.4	Low	54.8	Low	64 Å²	64	50.9 Å²	50.9	39%	0.388	30%	0.295	S	S	.	.	S	Bend	trans	-114.6	119.4	170.1	-173.4	0	0	0	0	109.1	V50 M56	V50-V54 HydrophobicContact CG1-CB 3.88Å; V50-V54 HydrophobicContact CG1-CG2 3.5Å; V50-V54 PolarHBondContact O-N 3.29Å; V54-M56 HydrophobicContact CB-CE 4.02Å; V54-M56 HydrophobicContact CB-CG 4.34Å; V54-M56 HydrophobicContact CG1-CE 3.53Å; V54-M56 HydrophobicContact CG1-CG 3.97Å; V54-M56 HydrophobicContact CG1-SD 3.87Å; V54-M56 PolarHBondContact O-N 2.79Å
55	R	54.1	Low	54	Low	86 Å²	86	57.3 Å²	57.3	33%	0.325	32%	0.319	S	S	.	.			trans	-74.6	89.6	174	-73.8	-176.9	-79.1	-168	-5.7	109.8	D37 D58 G67	D37-R55 WeakPolarHBondContact OD2-CA 3.33Å; R55-D58 HydrophobicContact CB-CB 4.09Å; R55-D58 WeakPolarHBondContact CB-OD2 3.46Å; R55-D58 WeakPolarHBondContact CD-OD2 3.3Å; R55-D58 IonicContact NE-OD2 2.8Å; R55-G67 VanDerWaalsContact CZ-CA 3.45Å; R55-G67 VanDerWaalsContact NH1-C 3.31Å; R55-G67 PolarHBondContact NH1-O 3.07Å
56	M	52.8	Low	54	Low	62 Å²	62	58.9 Å²	58.9	31%	0.305	32%	0.322	S	S	.	.	S	Bend	trans	-84.4	-21.3	-172.3	-74.5	-73.9	-174.7	0	0	112.7	D37 I46 V54 K438	D37-M56 PolarHBondContact OD1-N 3.27Å; D37-M56 PolarHBondContact OD2-N 3.03Å; I46-M56 HydrophobicContact CD1-CB 3.9Å; I46-M56 HydrophobicContact CD1-CG 4.19Å; V54-M56 HydrophobicContact CB-CE 4.02Å; V54-M56 HydrophobicContact CB-CG 4.34Å; V54-M56 HydrophobicContact CG1-CE 3.53Å; V54-M56 HydrophobicContact CG1-CG 3.97Å; V54-M56 HydrophobicContact CG1-SD 3.87Å; V54-M56 PolarHBondContact O-N 2.79Å; M56-K438 PolarHBondContact SD-NZ 2.99Å; M56-K438 VanDerWaalsContact SD-NZ 3.45Å
57	T	54.7	Low	54.2	Low	4 Å²	4	57.6 Å²	57.6	3%	0.025	32%	0.318	C	S	.	.	S	Bend	trans	-68.8	-24.5	168.7	64.3	0	0	0	0	112.6	T36 D37 T59 I75 D104	T36-T57 HydrophobicContact CG2-CG2 3.61Å; D37-T57 VanDerWaalsContact OD1-CG2 3.32Å; D37-T57 WeakPolarHBondContact OD1-CG2 3.3Å; D37-T57 PolarHBondContact OD1-N 2.89Å; T57-T59 PolarHBondContact O-N 3.37Å; T57-T59 VanDerWaalsContact O-N 3.11Å; T57-I75 HydrophobicContact CG2-CD1 3.86Å; T57-D104 WeakPolarHBondContact CB-OD2 3.49Å; T57-D104 PolarHBondContact OG1-OD2 3.12Å
58	D	55.5	Low	54.2	Low	11 Å²	11	55.6 Å²	55.6	6%	0.059	30%	0.298	C	S	.	.			trans	-78.5	90.4	167.4	-65.5	-16.7	0	0	0	107.8	R55 R60 E63 T69	R55-D58 HydrophobicContact CB-CB 4.09Å; R55-D58 WeakPolarHBondContact CB-OD2 3.46Å; R55-D58 WeakPolarHBondContact CD-OD2 3.3Å; R55-D58 IonicContact NE-OD2 2.8Å; D58-R60 VanDerWaalsContact C-N 3.33Å; D58-E63 WeakPolarHBondContact CA-OE2 3.25Å; D58-E63 HydrophobicContact CB-CB 3.74Å; D58-T69 PolarHBondContact OD1-OG1 3.27Å
59	T	58.9	Low	54.3	Low	82 Å²	82	51.5 Å²	51.5	50%	0.503	28%	0.279	S	S	.	.			trans	-81.9	-15.1	-172.9	56.5	0	0	0	0	113	T57 E63 T73	T57-T59 PolarHBondContact O-N 3.37Å; T57-T59 VanDerWaalsContact O-N 3.11Å; T59-E63 PolarHBondContact N-OE2 2.93Å; T59-T73 HydrophobicContact CG2-CG2 4.32Å
60	R	63	Low	54	Low	46 Å²	46	45 Å²	45	17%	0.174	25%	0.249	C	C	.	.	S	Bend	trans	-104.4	152.2	-176.3	-54.5	167.3	50.2	132	3.1	112.2	D58 D62 E63 A64 D544	D58-R60 VanDerWaalsContact C-N 3.33Å; R60-D62 VanDerWaalsContact C-N 3.34Å; R60-D62 WeakPolarHBondContact CB-OD1 3.38Å; R60-D62 IonicContact CZ-OD1 3.88Å; R60-D62 IonicContact CZ-OD2 3.99Å; R60-D62 IonicContact NE-OD1 3.72Å; R60-D62 PolarHBondContact NE-OD1 2.97Å; R60-D62 IonicContact NE-OD2 2.73Å; R60-D62 IonicContact NH2-OD1 3.01Å; R60-D62 IonicContact NH2-OD2 3.23Å; R60-D62 PolarHBondContact NH2-OD2 2.65Å; R60-D62 PolarHBondContact O-N 3.15Å; R60-E63 HydrophobicContact CB-CB 4.3Å; R60-E63 HydrophobicContact CB-CG 3.93Å; R60-E63 HydrophobicContact CG-CG 4.41Å; R60-E63 PolarHBondContact N-OE2 3.15Å; R60-E63 PolarHBondContact O-N 3.37Å; R60-A64 PolarHBondContact O-N 2.94Å; R60-D544 IonicContact CZ-OD1 3.42Å; R60-D544 VanDerWaalsContact CZ-OD1 3.29Å; R60-D544 IonicContact CZ-OD2 2.71Å; R60-D544 IonicContact NH1-OD1 3.31Å; R60-D544 PolarHBondContact NH1-OD1 3.41Å; R60-D544 IonicContact NH1-OD2 3.75Å; R60-D544 PolarHBondContact NH1-OD2 2.95Å; R60-D544 IonicContact NH2-OD1 2.99Å; R60-D544 PolarHBondContact NH2-OD1 3.03Å; R60-D544 IonicContact NH2-OD2 3.56Å
61	A	53.2	Low	54.8	Low	80 Å²	80	43.8 Å²	43.8	66%	0.661	24%	0.239	S	C	*	.	H	α-helix	trans	-66.8	-34.7	-179.8	0	0	0	0	0	113	A64 E65	A61-A64 PolarHBondContact O-N 3.34Å; A61-E65 WeakPolarHBondContact O-CB 3.41Å; A61-E65 PolarHBondContact O-N 2.96Å
62	D	57.1	Low	55.2	Low	7 Å²	7	44 Å²	44	4%	0.037	24%	0.24	C	C	.	.	H	α-helix	trans	-73.4	-34.6	176.9	52.9	-5.9	0	0	0	113.1	R60 A64 E65 R66 I70	R60-D62 VanDerWaalsContact C-N 3.34Å; R60-D62 WeakPolarHBondContact CB-OD1 3.38Å; R60-D62 IonicContact CZ-OD1 3.88Å; R60-D62 IonicContact CZ-OD2 3.99Å; R60-D62 IonicContact NE-OD1 3.72Å; R60-D62 PolarHBondContact NE-OD1 2.97Å; R60-D62 IonicContact NE-OD2 2.73Å; R60-D62 IonicContact NH2-OD1 3.01Å; R60-D62 IonicContact NH2-OD2 3.23Å; R60-D62 PolarHBondContact NH2-OD2 2.65Å; R60-D62 PolarHBondContact O-N 3.15Å; D62-A64 VanDerWaalsContact C-N 3.33Å; D62-E65 PolarHBondContact O-N 2.79Å; D62-R66 WeakPolarHBondContact O-CB 3.42Å; D62-R66 VanDerWaalsContact O-CG 3.32Å; D62-R66 WeakPolarHBondContact O-CG 3.35Å; D62-R66 PolarHBondContact O-N 3.4Å; D62-I70 HydrophobicContact CB-CD1 4.43Å
63	E	60.8	Low	55.8	Low	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-57.8	-48	169.1	-68	178.6	143.7	0	0	110.4	D58 T59 R60 R66 G67 I68 I70 K71	D58-E63 WeakPolarHBondContact CA-OE2 3.25Å; D58-E63 HydrophobicContact CB-CB 3.74Å; T59-E63 PolarHBondContact N-OE2 2.93Å; R60-E63 HydrophobicContact CB-CB 4.3Å; R60-E63 HydrophobicContact CB-CG 3.93Å; R60-E63 HydrophobicContact CG-CG 4.41Å; R60-E63 PolarHBondContact N-OE2 3.15Å; R60-E63 PolarHBondContact O-N 3.37Å; E63-R66 PolarHBondContact O-N 2.82Å; E63-G67 WeakPolarHBondContact O-CA 3.42Å; E63-G67 PolarHBondContact O-N 3.19Å; E63-I68 VanDerWaalsContact CA-O 3.3Å; E63-I68 WeakPolarHBondContact CA-O 3.19Å; E63-I68 WeakPolarHBondContact CB-O 3.37Å; E63-I68 WeakPolarHBondContact CG-O 3.02Å; E63-I68 PolarHBondContact O-N 3.37Å; E63-I70 HydrophobicContact CG-CB 3.82Å; E63-I70 HydrophobicContact CG-CD1 3.73Å; E63-I70 HydrophobicContact CG-CG1 3.82Å; E63-I70 PolarHBondContact OE1-N 3.38Å; E63-K71 PolarHBondContact OE1-N 3.03Å
64	A	49.1	Very low	56.7	Low	57 Å²	57	40.2 Å²	40.2	47%	0.471	22%	0.223	S	C	.	.	H	α-helix	trans	-65	-40.4	179.6	0	0	0	0	0	113.3	R60 A61 D62	R60-A64 PolarHBondContact O-N 2.94Å; A61-A64 PolarHBondContact O-N 3.34Å; D62-A64 VanDerWaalsContact C-N 3.33Å
65	E	43.4	Very low	57.9	Low	159 Å²	159	37.7 Å²	37.7	74%	0.743	21%	0.207	S	C	*	.	H	α-helix	trans	-67	-43	178.6	-176.5	-178.2	-176.6	0	0	112.2	A61 D62	A61-E65 WeakPolarHBondContact O-CB 3.41Å; A61-E65 PolarHBondContact O-N 2.96Å; D62-E65 PolarHBondContact O-N 2.79Å
66	R	54.1	Low	59.1	Low	80 Å²	80	33.7 Å²	33.7	30%	0.302	19%	0.193	S	C	.	.	H	α-helix	trans	-85.7	-20.9	-176.8	-65.6	174.6	-179.7	-151	-17.7	113.1	D62 E63 I68 E539	D62-R66 WeakPolarHBondContact O-CB 3.42Å; D62-R66 VanDerWaalsContact O-CG 3.32Å; D62-R66 WeakPolarHBondContact O-CG 3.35Å; D62-R66 PolarHBondContact O-N 3.4Å; E63-R66 PolarHBondContact O-N 2.82Å; R66-I68 VanDerWaalsContact C-N 3.34Å; R66-I68 HydrophobicContact CB-CD1 4.36Å; R66-I68 HydrophobicContact CB-CG1 3.92Å; R66-E539 IonicContact CZ-OE1 2.68Å; R66-E539 IonicContact CZ-OE2 2.8Å; R66-E539 VanDerWaalsContact CZ-OE2 3.31Å; R66-E539 IonicContact NH1-OE2 2.76Å; R66-E539 PolarHBondContact NH1-OE2 3.09Å; R66-E539 IonicContact NH2-OE1 3.31Å; R66-E539 PolarHBondContact NH2-OE1 3.47Å; R66-E539 IonicContact NH2-OE2 3.7Å; R66-E539 PolarHBondContact NH2-OE2 3.43Å
67	G	55.1	Low	60.5	Low	10 Å²	10	30.8 Å²	30.8	10%	0.103	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.3	21.7	-176.2	0	0	0	0	0	115.1	R55 E63	R55-G67 VanDerWaalsContact CZ-CA 3.45Å; R55-G67 VanDerWaalsContact NH1-C 3.31Å; R55-G67 PolarHBondContact NH1-O 3.07Å; E63-G67 WeakPolarHBondContact O-CA 3.42Å; E63-G67 PolarHBondContact O-N 3.19Å
68	I	52	Low	61.9	Low	18 Å²	18	32.4 Å²	32.4	9%	0.092	18%	0.184	C	C	.	.	S	Bend	trans	-125.3	144.5	-180	65.5	178.1	0	0	0	110.6	V28 E63 R66 I70 H108 L536	V28-I68 HydrophobicContact CG1-CG2 3.64Å; E63-I68 VanDerWaalsContact CA-O 3.3Å; E63-I68 WeakPolarHBondContact CA-O 3.19Å; E63-I68 WeakPolarHBondContact CB-O 3.37Å; E63-I68 WeakPolarHBondContact CG-O 3.02Å; E63-I68 PolarHBondContact O-N 3.37Å; R66-I68 VanDerWaalsContact C-N 3.34Å; R66-I68 HydrophobicContact CB-CD1 4.36Å; R66-I68 HydrophobicContact CB-CG1 3.92Å; I68-I70 HydrophobicContact CG1-CG1 4.3Å; I68-H108 HydrophobicContact CD1-CB 4.48Å; I68-L536 HydrophobicContact CD1-CD2 3.79Å
69	T	57.2	Low	63.4	Low	3 Å²	3	34.3 Å²	34.3	2%	0.018	19%	0.191	C	C	.	.			trans	-79.3	128.4	171.8	-52	0	0	0	0	109.7	K32 S33 D58 P106	K32-T69 PolarHBondContact NZ-OG1 3.37Å; S33-T69 PolarHBondContact OG-OG1 3.46Å; D58-T69 PolarHBondContact OD1-OG1 3.27Å; T69-P106 WeakPolarHBondContact O-CA 3.31Å; T69-P106 VanDerWaalsContact O-CB 3.31Å; T69-P106 WeakPolarHBondContact O-CB 3.47Å
70	I	45.9	Very low	64.7	Low	0 Å²	0	36 Å²	36	0%	0	19%	0.193	C	C	.	.			trans	-106.5	-39.1	-176.3	-66.9	165.9	0	0	0	110.2	D62 E63 I68 P106 F111 I540	D62-I70 HydrophobicContact CB-CD1 4.43Å; E63-I70 HydrophobicContact CG-CB 3.82Å; E63-I70 HydrophobicContact CG-CD1 3.73Å; E63-I70 HydrophobicContact CG-CG1 3.82Å; E63-I70 PolarHBondContact OE1-N 3.38Å; I68-I70 HydrophobicContact CG1-CG1 4.3Å; I70-P106 WeakPolarHBondContact O-CG 3.49Å; I70-F111 HydrophobicContact CG1-CE2 4.21Å; I70-F111 HydrophobicContact CG1-CZ 4.3Å; I70-F111 HydrophobicContact CG2-CD1 4.3Å; I70-F111 HydrophobicContact CG2-CE1 3.83Å; I70-F111 HydrophobicContact CG2-CE2 4.45Å; I70-F111 HydrophobicContact CG2-CZ 3.95Å; I70-I540 HydrophobicContact CD1-CD1 3.38Å; I70-I540 HydrophobicContact CD1-CG1 4.04Å; I70-I540 HydrophobicContact CG1-CD1 3.85Å; I70-I540 HydrophobicContact CG2-CD1 4.07Å; I70-I540 HydrophobicContact CG2-CG2 3.8Å
71	K	67.9	Low	65.9	Low	27 Å²	27	34.1 Å²	34.1	12%	0.117	19%	0.186	C	C	.	.	S	Bend	trans	-118.7	138.8	-179.4	-70.3	-69	171.4	-174	0	112	E63 T73 E114 D515	E63-K71 PolarHBondContact OE1-N 3.03Å; K71-T73 PolarHBondContact O-N 3.47Å; K71-E114 VanDerWaalsContact CD-OE1 3.3Å; K71-E114 WeakPolarHBondContact CD-OE1 3.43Å; K71-E114 IonicContact NZ-OE1 3.28Å; K71-E114 PolarHBondContact NZ-OE1 3.31Å; K71-D515 IonicContact NZ-OD2 3.47Å; K71-D515 PolarHBondContact NZ-OD2 3.43Å
72	S	61	Low	67.6	Low	10 Å²	10	34.1 Å²	34.1	7%	0.07	18%	0.178	C	C	.	.			trans	-72.1	128.5	-179.4	-48.6	0	0	0	0	111.8	D104 P106 E114 K382	S72-D104 WeakPolarHBondContact CA-O 3.17Å; S72-D104 WeakPolarHBondContact CB-O 3.4Å; S72-P106 WeakPolarHBondContact OG-CD 3.36Å; S72-E114 PolarHBondContact N-OE2 2.99Å; S72-E114 PolarHBondContact OG-O 3.23Å; S72-E114 PolarHBondContact OG-OE2 3.27Å; S72-K382 PolarHBondContact O-NZ 2.8Å
73	T	67.3	Low	69	Low	26 Å²	26	39.2 Å²	39.2	16%	0.16	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	131.2	178	57.2	0	0	0	0	110.9	T59 K71 I103 D104	T59-T73 HydrophobicContact CG2-CG2 4.32Å; K71-T73 PolarHBondContact O-N 3.47Å; T73-I103 WeakPolarHBondContact O-CA 3.33Å; T73-D104 PolarHBondContact N-O 3.32Å; T73-D104 PolarHBondContact O-N 2.89Å
74	G	73.7	Confident	70.1	Confident	13 Å²	13	46.9 Å²	46.9	13%	0.134	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	130.7	177.3	0	0	0	0	0	111.4	L102	G74-L102 CarbonylContact C-O 3.59Å; G74-L102 WeakPolarHBondContact CA-O 3.33Å
75	I	78.7	Confident	71.7	Confident	10 Å²	10	45.3 Å²	45.3	5%	0.051	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	127.7	178.5	-51.2	176.8	0	0	0	108.9	V40 I45 T57 L77 L102	V40-I75 HydrophobicContact CG2-CD1 3.54Å; V40-I75 HydrophobicContact CG2-CG2 4.18Å; I45-I75 HydrophobicContact CD1-CG2 4.23Å; T57-I75 HydrophobicContact CG2-CD1 3.86Å; I75-L77 HydrophobicContact CG2-CD2 3.76Å; I75-L77 HydrophobicContact CG2-CG 4.44Å; I75-L102 PolarHBondContact N-O 3.43Å; I75-L102 PolarHBondContact O-N 2.88Å
76	S	80.6	Confident	73.8	Confident	3 Å²	3	38 Å²	38	2%	0.021	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	125.7	174.3	-41.8	0	0	0	0	109.5	N101 W435 M436	S76-N101 WeakPolarHBondContact CB-OD1 3.37Å; S76-N101 PolarHBondContact OG-OD1 2.97Å; S76-W435 PolarHBondContact OG-O 2.95Å; S76-W435 VanDerWaalsContact OG-O 3.11Å; S76-M436 WeakPolarHBondContact O-CE 3.34Å
77	L	81.9	Confident	75.3	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	128.3	-179.3	-53.9	177.7	0	0	0	109.5	L39 V40 A43 I45 I75 I100 L333	L39-L77 HydrophobicContact CB-CD1 4.3Å; V40-L77 HydrophobicContact CG2-CD2 4.35Å; A43-L77 HydrophobicContact CB-CB 4.45Å; A43-L77 HydrophobicContact CB-CD2 3.72Å; I45-L77 HydrophobicContact CD1-CD2 3.62Å; I75-L77 HydrophobicContact CG2-CD2 3.76Å; I75-L77 HydrophobicContact CG2-CG 4.44Å; L77-I100 HydrophobicContact CB-CB 4.31Å; L77-I100 PolarHBondContact N-O 2.81Å; L77-I100 PolarHBondContact O-N 2.8Å; L77-L333 HydrophobicContact CD1-CD2 4.24Å
78	Y	83.3	Confident	76.5	Confident	38 Å²	38	45.1 Å²	45.1	15%	0.149	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	132.2	167.9	171.8	-95.1	0	0	0	109.4	F4 I12 E80 E97	F4-Y78 HydrophobicContact CD1-CD1 4.26Å; F4-Y78 AromaticContact CD1-CG 3.91Å; F4-Y78 HydrophobicContact CD1-CG 3.91Å; F4-Y78 HydrophobicContact CE1-CG 4.33Å; I12-Y78 HydrophobicContact CD1-CD2 3.46Å; I12-Y78 VanDerWaalsContact CD1-CD2 3.46Å; I12-Y78 HydrophobicContact CD1-CE2 3.39Å; Y78-E80 HydrophobicContact CE1-CB 4.15Å; Y78-E80 PolarHBondContact OH-OE2 2.89Å; Y78-E97 HydrophobicContact CE2-CB 3.98Å; Y78-E97 HydrophobicContact CE2-CG 4.18Å; Y78-E97 PolarHBondContact OH-OE1 3.33Å
79	Y	86.5	Confident	78.2	Confident	50 Å²	50	45.6 Å²	45.6	20%	0.196	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	132.1	174.8	-166.8	-110.9	0	0	0	111.1	M81 Y98 L333 I337	Y79-M81 HydrophobicContact CD1-CG 4.14Å; Y79-M81 HydrophobicContact CD1-SD 4.04Å; Y79-M81 HydrophobicContact CE1-CG 4.15Å; Y79-M81 HydrophobicContact CE1-SD 3.51Å; Y79-M81 VanDerWaalsContact CE1-SD 3.51Å; Y79-Y98 PolarHBondContact N-O 3.18Å; Y79-Y98 PolarHBondContact O-N 3.33Å; Y79-L333 HydrophobicContact CD1-CB 4.12Å; Y79-L333 HydrophobicContact CD1-CD1 4.4Å; Y79-L333 HydrophobicContact CD2-CD1 3.46Å; Y79-L333 VanDerWaalsContact CD2-CD1 3.46Å; Y79-L333 HydrophobicContact CE1-CB 4.17Å; Y79-L333 HydrophobicContact CE2-CD1 3.81Å; Y79-L333 HydrophobicContact CG-CB 4.31Å; Y79-L333 HydrophobicContact CG-CD1 3.79Å; Y79-I337 HydrophobicContact CD1-CD1 3.76Å; Y79-I337 HydrophobicContact CE1-CD1 4.4Å
80	E	87.4	Confident	79.5	Confident	119 Å²	119	52.4 Å²	52.4	56%	0.556	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.3	122.2	178	-169.3	179.5	166.6	0	0	109.5	Y78	Y78-E80 HydrophobicContact CE1-CB 4.15Å; Y78-E80 PolarHBondContact OH-OE2 2.89Å
81	M	88.2	Confident	81.4	Confident	5 Å²	5	54 Å²	54	3%	0.025	29%	0.291	C	S	.	.			trans	-87.7	145.5	179	-72.1	-77.5	-80.2	0	0	110.6	Y79 L86 N96 Y98 E334 I337 F338	Y79-M81 HydrophobicContact CD1-CG 4.14Å; Y79-M81 HydrophobicContact CD1-SD 4.04Å; Y79-M81 HydrophobicContact CE1-CG 4.15Å; Y79-M81 HydrophobicContact CE1-SD 3.51Å; Y79-M81 VanDerWaalsContact CE1-SD 3.51Å; M81-L86 HydrophobicContact CB-CD1 3.7Å; M81-L86 HydrophobicContact CB-CD2 4.05Å; M81-L86 HydrophobicContact CB-CG 3.72Å; M81-L86 HydrophobicContact CE-CD2 3.71Å; M81-L86 HydrophobicContact CE-CG 4.17Å; M81-L86 HydrophobicContact CG-CD2 4.22Å; M81-L86 HydrophobicContact CG-CG 4.43Å; M81-N96 PolarHBondContact N-O 2.85Å; M81-N96 WeakPolarHBondContact O-CB 3.14Å; M81-N96 PolarHBondContact O-ND2 2.76Å; M81-Y98 HydrophobicContact CB-CE2 4.33Å; M81-Y98 HydrophobicContact CG-CD2 3.95Å; M81-Y98 HydrophobicContact CG-CE2 3.98Å; M81-E334 HydrophobicContact CE-CG 4.13Å; M81-I337 HydrophobicContact CG-CD1 3.7Å; M81-I337 HydrophobicContact SD-CD1 3.94Å; M81-F338 HydrophobicContact CE-CD2 4.21Å; M81-F338 HydrophobicContact CE-CE2 3.61Å
82	T	88	Confident	82.5	Confident	81 Å²	81	55.6 Å²	55.6	50%	0.497	31%	0.309	S	S	.	.			trans	-78.9	152.5	171	63.5	0	0	0	0	110.6	E84 S85 L86	T82-E84 PolarHBondContact O-N 3.49Å; T82-S85 PolarHBondContact O-N 3.05Å; T82-S85 VanDerWaalsContact O-N 3.09Å; T82-S85 WeakPolarHBondContact OG1-CB 3.27Å; T82-S85 PolarHBondContact OG1-N 3.29Å; T82-S85 PolarHBondContact OG1-OG 2.89Å; T82-L86 PolarHBondContact O-N 3.02Å; T82-L86 VanDerWaalsContact O-N 3.07Å
83	D	87.5	Confident	84.1	Confident	114 Å²	114	59.4 Å²	59.4	61%	0.61	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-34.5	175.1	-69.5	-48.2	0	0	0	112.1	L86 K87 N96	D83-L86 PolarHBondContact O-N 3.02Å; D83-K87 PolarHBondContact O-N 3Å; D83-K87 VanDerWaalsContact O-N 3.16Å; D83-N96 PolarHBondContact OD1-ND2 2.82Å
84	E	83.8	Confident	85.2	Confident	160 Å²	160	61.6 Å²	61.6	75%	0.748	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-45.2	175.2	-174.2	172.2	-162.6	0	0	111.6	T82 L86 K87	T82-E84 PolarHBondContact O-N 3.49Å; E84-L86 VanDerWaalsContact C-N 3.27Å; E84-L86 PolarHBondContact O-N 3.4Å; E84-K87 VanDerWaalsContact O-CB 3.31Å; E84-K87 WeakPolarHBondContact O-CB 3.15Å; E84-K87 PolarHBondContact O-N 2.74Å
85	S	83.1	Confident	86.1	Confident	25 Å²	25	63 Å²	63	18%	0.175	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-28.5	177.1	-72.2	0	0	0	0	112.9	T82 F338	T82-S85 PolarHBondContact O-N 3.05Å; T82-S85 VanDerWaalsContact O-N 3.09Å; T82-S85 WeakPolarHBondContact OG1-CB 3.27Å; T82-S85 PolarHBondContact OG1-N 3.29Å; T82-S85 PolarHBondContact OG1-OG 2.89Å; S85-F338 VanDerWaalsContact O-CZ 3.23Å; S85-F338 WeakPolarHBondContact O-CZ 3.46Å
86	L	86.5	Confident	86.7	Confident	6 Å²	6	63.9 Å²	63.9	3%	0.031	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-2.1	178.6	-70.1	173.3	0	0	0	114.2	M81 T82 D83 E84 S88 F89 N96 Y98 F338	M81-L86 HydrophobicContact CB-CD1 3.7Å; M81-L86 HydrophobicContact CB-CD2 4.05Å; M81-L86 HydrophobicContact CB-CG 3.72Å; M81-L86 HydrophobicContact CE-CD2 3.71Å; M81-L86 HydrophobicContact CE-CG 4.17Å; M81-L86 HydrophobicContact CG-CD2 4.22Å; M81-L86 HydrophobicContact CG-CG 4.43Å; T82-L86 PolarHBondContact O-N 3.02Å; T82-L86 VanDerWaalsContact O-N 3.07Å; D83-L86 PolarHBondContact O-N 3.02Å; E84-L86 VanDerWaalsContact C-N 3.27Å; E84-L86 PolarHBondContact O-N 3.4Å; L86-S88 PolarHBondContact O-N 3.37Å; L86-S88 VanDerWaalsContact O-N 3.16Å; L86-F89 HydrophobicContact CB-CB 4.44Å; L86-F89 HydrophobicContact CD2-CB 3.92Å; L86-F89 HydrophobicContact CD2-CD1 4.34Å; L86-F89 HydrophobicContact CD2-CG 4.1Å; L86-F89 WeakPolarHBondContact O-CB 3.39Å; L86-F89 PolarHBondContact O-N 2.84Å; L86-N96 HydrophobicContact CD1-CB 4.21Å; L86-Y98 HydrophobicContact CD1-CE2 4.47Å; L86-Y98 HydrophobicContact CD2-CE2 4.36Å; L86-F338 HydrophobicContact CD2-CE2 4.48Å
87	K	84.6	Confident	87.2	Confident	177 Å²	177	65.7 Å²	65.7	77%	0.77	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-32.2	-176.5	-172.2	178.7	179.9	-178.5	0	113.5	D83 E84	D83-K87 PolarHBondContact O-N 3Å; D83-K87 VanDerWaalsContact O-N 3.16Å; E84-K87 VanDerWaalsContact O-CB 3.31Å; E84-K87 WeakPolarHBondContact O-CB 3.15Å; E84-K87 PolarHBondContact O-N 2.74Å
88	S	82.1	Confident	87.7	Confident	61 Å²	61	65.7 Å²	65.7	43%	0.427	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-3.9	177.3	55.8	0	0	0	0	113.7	L86 T90 F338	L86-S88 PolarHBondContact O-N 3.37Å; L86-S88 VanDerWaalsContact O-N 3.16Å; S88-T90 PolarHBondContact O-N 3.33Å; S88-F338 WeakPolarHBondContact OG-CE1 3.43Å
89	F	87.1	Confident	88.1	Confident	28 Å²	28	63.9 Å²	63.9	12%	0.123	35%	0.353	C	S	.	.			trans	-75.9	120.6	-179.3	-174.4	-104.9	0	0	0	110.4	L86 G91 R93 I337 F338	L86-F89 HydrophobicContact CB-CB 4.44Å; L86-F89 HydrophobicContact CD2-CB 3.92Å; L86-F89 HydrophobicContact CD2-CD1 4.34Å; L86-F89 HydrophobicContact CD2-CG 4.1Å; L86-F89 WeakPolarHBondContact O-CB 3.39Å; L86-F89 PolarHBondContact O-N 2.84Å; F89-G91 VanDerWaalsContact CE1-C 3.42Å; F89-G91 VanDerWaalsContact CE1-CA 3.44Å; F89-G91 WeakPolarHBondContact CE1-O 3.48Å; F89-R93 HydrophobicContact CE1-CB 4.21Å; F89-R93 HydrophobicContact CE1-CG 4.48Å; F89-I337 HydrophobicContact CE2-CG2 4.42Å; F89-I337 WeakPolarHBondContact CE2-O 3.37Å; F89-F338 HydrophobicContact CB-CE1 3.79Å; F89-F338 HydrophobicContact CB-CE2 4.24Å; F89-F338 HydrophobicContact CB-CZ 3.63Å; F89-F338 AromaticContact CD2-CD1 3.92Å; F89-F338 HydrophobicContact CD2-CD1 3.92Å; F89-F338 HydrophobicContact CD2-CD2 4.12Å; F89-F338 HydrophobicContact CD2-CE1 4.04Å; F89-F338 HydrophobicContact CD2-CE2 4.24Å; F89-F338 AromaticContact CD2-CG 3.97Å; F89-F338 HydrophobicContact CD2-CG 3.97Å; F89-F338 HydrophobicContact CD2-CZ 4.2Å; F89-F338 HydrophobicContact CG-CE1 4.43Å; F89-F338 HydrophobicContact CG-CZ 4.39Å
90	T	84.4	Confident	88.3	Confident	146 Å²	146	61.5 Å²	61.5	90%	0.896	34%	0.343	S	S	*	.			trans	-101.5	-5.7	-177.6	55.2	0	0	0	0	113.6	S88	S88-T90 PolarHBondContact O-N 3.33Å
91	G	85.8	Confident	88.4	Confident	35 Å²	35	56 Å²	56	36%	0.361	32%	0.318	S	S	.	.	S	Bend	trans	-73.8	159.8	-179.8	0	0	0	0	0	113.2	F89	F89-G91 VanDerWaalsContact CE1-C 3.42Å; F89-G91 VanDerWaalsContact CE1-CA 3.44Å; F89-G91 WeakPolarHBondContact CE1-O 3.48Å
92	A	91.9	Very high	88.4	Confident	59 Å²	59	55.8 Å²	55.8	49%	0.488	32%	0.317	S	S	.	.			trans	-63	142	168.5	0	0	0	0	0	110.3	H17	H17-A92 HydrophobicContact CB-CB 4.34Å
93	R	92.5	Very high	88.4	Confident	91 Å²	91	52.2 Å²	52.2	34%	0.343	29%	0.294	S	S	.	.			trans	-157.2	152.1	177.1	65.6	-176.7	-174.9	94.7	-9.2	112	N18 F89 G95 N96	N18-R93 WeakPolarHBondContact OD1-CA 3.41Å; N18-R93 WeakPolarHBondContact OD1-CB 3.13Å; F89-R93 HydrophobicContact CE1-CB 4.21Å; F89-R93 HydrophobicContact CE1-CG 4.48Å; R93-G95 VanDerWaalsContact NH1-C 3.34Å; R93-G95 PolarHBondContact NH1-O 2.76Å; R93-N96 PolarHBondContact NH1-OD1 2.92Å
94	D	91.6	Very high	88.3	Confident	72 Å²	72	46.8 Å²	46.8	39%	0.385	27%	0.265	S	S	.	.	S	Bend	trans	-113.6	85.7	174.3	-60.5	-67.4	0	0	0	108.9	Y15 H17 N18	Y15-D94 HydrophobicContact CD1-CB 3.89Å; Y15-D94 HydrophobicContact CG-CB 3.95Å; H17-D94 IonicContact CD2-OD2 2.71Å; N18-D94 PolarHBondContact ND2-O 3.03Å; N18-D94 PolarHBondContact OD1-N 3.05Å
95	G	91.4	Very high	88.3	Confident	41 Å²	41	39.1 Å²	39.1	42%	0.423	23%	0.23	S	C	.	.	S	Bend	trans	77	-160.4	-174.5	0	0	0	0	0	113.8	N18 R93	N18-G95 PolarHBondContact ND2-O 2.84Å; R93-G95 VanDerWaalsContact NH1-C 3.34Å; R93-G95 PolarHBondContact NH1-O 2.76Å
96	N	92.6	Very high	88.2	Confident	30 Å²	30	38 Å²	38	16%	0.16	22%	0.221	C	C	.	.	S	Bend	trans	-109.9	-4.4	-171.1	-68.2	10.9	0	0	0	113.6	M81 D83 L86 R93 Y98	M81-N96 PolarHBondContact N-O 2.85Å; M81-N96 WeakPolarHBondContact O-CB 3.14Å; M81-N96 PolarHBondContact O-ND2 2.76Å; D83-N96 PolarHBondContact OD1-ND2 2.82Å; L86-N96 HydrophobicContact CD1-CB 4.21Å; R93-N96 PolarHBondContact NH1-OD1 2.92Å; N96-Y98 VanDerWaalsContact O-CD2 3.31Å; N96-Y98 WeakPolarHBondContact O-CD2 3.41Å
97	E	91.5	Very high	87.4	Confident	41 Å²	41	37.9 Å²	37.9	19%	0.192	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	128.2	-178.5	-57.3	177.9	97.5	0	0	109.7	R11 I12 N18 Y78	R11-E97 IonicContact CZ-OE1 2.65Å; R11-E97 IonicContact CZ-OE2 3.7Å; R11-E97 VanDerWaalsContact CZ-OE2 3.3Å; R11-E97 IonicContact NH1-OE2 3.96Å; R11-E97 PolarHBondContact NH1-OE2 2.81Å; R11-E97 IonicContact NH2-OE1 3.3Å; R11-E97 PolarHBondContact NH2-OE1 3.43Å; R11-E97 IonicContact NH2-OE2 3.03Å; R11-E97 PolarHBondContact NH2-OE2 2.86Å; I12-E97 HydrophobicContact CD1-CB 4.35Å; I12-E97 HydrophobicContact CG1-CB 4.42Å; N18-E97 VanDerWaalsContact CB-O 3.26Å; N18-E97 WeakPolarHBondContact CB-O 3.23Å; N18-E97 PolarHBondContact ND2-O 2.81Å; Y78-E97 HydrophobicContact CE2-CB 3.98Å; Y78-E97 HydrophobicContact CE2-CG 4.18Å; Y78-E97 PolarHBondContact OH-OE1 3.33Å
98	Y	92	Very high	87	Confident	0 Å²	0	31 Å²	31	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	143.3	179.7	-72	-98	0	0	0	111.4	N18 Y79 M81 L86 N96 I337	N18-Y98 HydrophobicContact CB-CD1 3.85Å; N18-Y98 HydrophobicContact CB-CE1 4.04Å; N18-Y98 HydrophobicContact CB-CG 4.29Å; N18-Y98 VanDerWaalsContact O-CA 3.31Å; N18-Y98 WeakPolarHBondContact O-CA 3.4Å; N18-Y98 VanDerWaalsContact O-CD1 3.23Å; N18-Y98 WeakPolarHBondContact O-CD1 3.48Å; Y79-Y98 PolarHBondContact N-O 3.18Å; Y79-Y98 PolarHBondContact O-N 3.33Å; M81-Y98 HydrophobicContact CB-CE2 4.33Å; M81-Y98 HydrophobicContact CG-CD2 3.95Å; M81-Y98 HydrophobicContact CG-CE2 3.98Å; L86-Y98 HydrophobicContact CD1-CE2 4.47Å; L86-Y98 HydrophobicContact CD2-CE2 4.36Å; N96-Y98 VanDerWaalsContact O-CD2 3.31Å; N96-Y98 WeakPolarHBondContact O-CD2 3.41Å; Y98-I337 HydrophobicContact CD1-CD1 4.17Å; Y98-I337 HydrophobicContact CD1-CG1 3.92Å; Y98-I337 HydrophobicContact CD1-CG2 3.94Å; Y98-I337 HydrophobicContact CD2-CD1 3.92Å; Y98-I337 HydrophobicContact CD2-CG2 4.46Å; Y98-I337 HydrophobicContact CE1-CG1 4.41Å; Y98-I337 HydrophobicContact CE1-CG2 3.55Å; Y98-I337 HydrophobicContact CE2-CG2 4.11Å; Y98-I337 HydrophobicContact CG-CD1 3.73Å; Y98-I337 HydrophobicContact CG-CG1 4Å; Y98-I337 HydrophobicContact CG-CG2 4.39Å
99	L	91.3	Very high	86.6	Confident	1 Å²	1	28.3 Å²	28.3	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	118.6	171.9	-178.8	65.1	0	0	0	109.4	L9 I12 M13 N18 I19 R20	L9-L99 HydrophobicContact CD1-CD1 4.12Å; L9-L99 HydrophobicContact CG-CD1 4.33Å; I12-L99 HydrophobicContact CG2-CB 3.83Å; M13-L99 HydrophobicContact CE-CD2 4.15Å; M13-L99 HydrophobicContact CG-CD2 3.87Å; N18-L99 PolarHBondContact O-N 3.37Å; I19-L99 CarbonylContact C-O 3.53Å; I19-L99 VanDerWaalsContact CA-O 3.29Å; I19-L99 WeakPolarHBondContact CA-O 3.36Å; I19-L99 HydrophobicContact CG1-CB 4.37Å; R20-L99 PolarHBondContact N-O 3.45Å
100	I	90.9	Very high	86	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	106.3	-178.3	-58.4	167.8	0	0	0	108.1	R20 M22 L77 L102 L333 M336 I337	R20-I100 HydrophobicContact CB-CG1 4.28Å; R20-I100 CarbonylContact O-C 3.59Å; R20-I100 WeakPolarHBondContact O-CA 3.37Å; M22-I100 HydrophobicContact CG-CG2 4.42Å; L77-I100 HydrophobicContact CB-CB 4.31Å; L77-I100 PolarHBondContact N-O 2.81Å; L77-I100 PolarHBondContact O-N 2.8Å; I100-L102 PolarHBondContact O-N 3.03Å; I100-L333 HydrophobicContact CD1-CB 4.02Å; I100-L333 HydrophobicContact CD1-CD2 3.59Å; I100-L333 HydrophobicContact CD1-CG 4.26Å; I100-M336 HydrophobicContact CG2-SD 4.43Å; I100-I337 HydrophobicContact CD1-CD1 4.26Å; I100-I337 HydrophobicContact CD1-CG1 4.23Å
101	N	89.9	Confident	85.7	Confident	3 Å²	3	20.7 Å²	20.7	2%	0.016	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	101.9	176.4	-60.4	-38.3	0	0	0	108.2	R20 N21 M22 S76	R20-N101 PolarHBondContact O-N 2.8Å; N21-N101 WeakPolarHBondContact OD1-CB 3.42Å; N21-N101 PolarHBondContact OD1-ND2 3.01Å; M22-N101 PolarHBondContact N-O 2.96Å; S76-N101 WeakPolarHBondContact CB-OD1 3.37Å; S76-N101 PolarHBondContact OG-OD1 2.97Å
102	L	88.5	Confident	85.3	Confident	1 Å²	1	19 Å²	19	1%	0.005	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	132.3	179.9	-173.9	152.9	0	0	0	109.9	M22 V24 T36 L39 G74 I75 I100 D104	M22-L102 HydrophobicContact CE-CD1 4.42Å; M22-L102 HydrophobicContact CE-CG 4.43Å; M22-L102 CarbonylContact O-C 3.37Å; M22-L102 WeakPolarHBondContact O-CA 3.31Å; V24-L102 HydrophobicContact CG2-CD1 3.79Å; V24-L102 HydrophobicContact CG2-CD2 3.83Å; V24-L102 HydrophobicContact CG2-CG 3.79Å; T36-L102 HydrophobicContact CG2-CD1 4.12Å; T36-L102 HydrophobicContact CG2-CD2 3.36Å; T36-L102 HydrophobicContact CG2-CG 4.42Å; L39-L102 HydrophobicContact CD1-CD1 3.87Å; G74-L102 CarbonylContact C-O 3.59Å; G74-L102 WeakPolarHBondContact CA-O 3.33Å; I75-L102 PolarHBondContact N-O 3.43Å; I75-L102 PolarHBondContact O-N 2.88Å; I100-L102 PolarHBondContact O-N 3.03Å; L102-D104 HydrophobicContact CD2-CB 4.37Å
103	I	87.7	Confident	84.7	Confident	5 Å²	5	16.3 Å²	16.3	3%	0.026	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	116.2	169.6	-53.4	-174.6	0	0	0	108.6	M22 S23 V24 T73 S105 A118 I121 T122 F395	M22-I103 PolarHBondContact O-N 3.32Å; S23-I103 CarbonylContact C-O 3.51Å; S23-I103 WeakPolarHBondContact CA-O 3.44Å; V24-I103 PolarHBondContact N-O 2.9Å; T73-I103 WeakPolarHBondContact O-CA 3.33Å; I103-S105 PolarHBondContact O-N 3.44Å; I103-A118 HydrophobicContact CB-CB 4.31Å; I103-A118 HydrophobicContact CG2-CB 3.59Å; I103-I121 HydrophobicContact CD1-CD1 3.46Å; I103-I121 VanDerWaalsContact CD1-CD1 3.46Å; I103-I121 HydrophobicContact CD1-CG1 3.67Å; I103-T122 HydrophobicContact CB-CG2 4.48Å; I103-T122 HydrophobicContact CD1-CG2 3.67Å; I103-T122 HydrophobicContact CG1-CG2 4.04Å; I103-F395 HydrophobicContact CD1-CE1 4.38Å
104	D	84.8	Confident	84.3	Confident	0 Å²	0	12 Å²	12	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	117.6	172.8	-162.6	15.4	0	0	0	107.8	K32 T36 T57 S72 T73 L102	K32-D104 VanDerWaalsContact CD-OD1 3.25Å; K32-D104 WeakPolarHBondContact CD-OD1 3.38Å; K32-D104 WeakPolarHBondContact CE-OD1 3.28Å; K32-D104 WeakPolarHBondContact CG-OD1 3.47Å; K32-D104 VanDerWaalsContact NZ-CG 3.34Å; K32-D104 IonicContact NZ-OD1 2.98Å; K32-D104 PolarHBondContact NZ-OD1 3.12Å; K32-D104 IonicContact NZ-OD2 2.76Å; K32-D104 PolarHBondContact NZ-OD2 3.44Å; T36-D104 HydrophobicContact CG2-CB 4.36Å; T57-D104 WeakPolarHBondContact CB-OD2 3.49Å; T57-D104 PolarHBondContact OG1-OD2 3.12Å; S72-D104 WeakPolarHBondContact CA-O 3.17Å; S72-D104 WeakPolarHBondContact CB-O 3.4Å; T73-D104 PolarHBondContact N-O 3.32Å; T73-D104 PolarHBondContact O-N 2.89Å; L102-D104 HydrophobicContact CD2-CB 4.37Å
105	S	83.8	Confident	84	Confident	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.054	C	C	.	.			trans	-109.7	150.7	-174.8	71.5	0	0	0	0	111.7	V24 K32 I103	V24-S105 PolarHBondContact O-N 3.22Å; V24-S105 PolarHBondContact O-OG 2.82Å; K32-S105 WeakPolarHBondContact CD-O 3.46Å; K32-S105 WeakPolarHBondContact CE-O 3.45Å; I103-S105 PolarHBondContact O-N 3.44Å
106	P	80.5	Confident	83.6	Confident	0 Å²	0	7 Å²	7	0%	0	4%	0.036	C	C	.	.			trans	-58.5	141.5	-178.8	-32	40.5	0	0	0	114.8	T69 I70 S72 F111 E114 V115	T69-P106 WeakPolarHBondContact O-CA 3.31Å; T69-P106 VanDerWaalsContact O-CB 3.31Å; T69-P106 WeakPolarHBondContact O-CB 3.47Å; I70-P106 WeakPolarHBondContact O-CG 3.49Å; S72-P106 WeakPolarHBondContact OG-CD 3.36Å; P106-F111 HydrophobicContact CB-CB 3.46Å; P106-F111 VanDerWaalsContact CB-CB 3.46Å; P106-F111 HydrophobicContact CB-CD2 4.33Å; P106-F111 HydrophobicContact CB-CG 4.24Å; P106-F111 HydrophobicContact CG-CB 3.74Å; P106-E114 HydrophobicContact CG-CB 3.78Å; P106-E114 HydrophobicContact CG-CG 4.45Å; P106-V115 HydrophobicContact CB-CG2 4.48Å; P106-V115 VanDerWaalsContact O-CG2 3.22Å; P106-V115 WeakPolarHBondContact O-CG2 3.35Å
107	G	71.2	Confident	83.3	Confident	5 Å²	5	5.7 Å²	5.7	5%	0.052	3%	0.03	C	C	.	.			trans	-91	-10	175.2	0	0	0	0	0	114.3	A26 V28 Q138	A26-G107 WeakPolarHBondContact O-CA 3.41Å; V28-G107 WeakPolarHBondContact CG2-O 3.24Å; V28-G107 PolarHBondContact N-O 3.43Å; G107-Q138 VanDerWaalsContact O-CG 3.3Å; G107-Q138 WeakPolarHBondContact O-CG 3.47Å
108	H	76.5	Confident	83.2	Confident	33 Å²	33	3.9 Å²	3.9	15%	0.153	2%	0.022	C	C	.	.	S	Bend	trans	-98.4	140.7	-176.7	-169.3	-70.5	0	0	0	111.1	V28 I68 D110 F111	V28-H108 HydrophobicContact CG2-CB 3.9Å; I68-H108 HydrophobicContact CD1-CB 4.48Å; H108-D110 IonicContact CE1-OD1 3.61Å; H108-D110 PolarHBondContact CE1-OD1 3.34Å; H108-D110 WeakPolarHBondContact ND1-CB 3.37Å; H108-D110 PolarHBondContact ND1-N 2.94Å; H108-D110 IonicContact ND1-OD1 3.23Å; H108-D110 PolarHBondContact O-N 3.05Å; H108-F111 HydrophobicContact CB-CD2 4.02Å; H108-F111 HydrophobicContact CB-CE2 4.35Å; H108-F111 PolarHBondContact O-N 3.4Å; H108-F111 VanDerWaalsContact O-N 3.09Å
109	V	72	Confident	83.2	Confident	4 Å²	4	3.9 Å²	3.9	2%	0.024	2%	0.022	C	C	.	.	G	3₁₀ helix	trans	-59.6	-39	-172.6	59.8	0	0	0	0	114.8	F111 S112 C797 V798	V109-F111 PolarHBondContact O-N 3.48Å; V109-S112 VanDerWaalsContact O-CB 3.28Å; V109-S112 WeakPolarHBondContact O-CB 3.21Å; V109-S112 PolarHBondContact O-N 2.89Å; V109-S112 PolarHBondContact O-OG 3.45Å; V109-S112 VanDerWaalsContact O-OG 3.09Å; V109-C797 WeakPolarHBondContact CG1-O 3.15Å; V109-V798 HydrophobicContact CB-CG2 3.94Å; V109-V798 HydrophobicContact CG1-CG2 4.03Å; V109-V798 HydrophobicContact CG2-CB 3.92Å; V109-V798 HydrophobicContact CG2-CG1 3.6Å; V109-V798 HydrophobicContact CG2-CG2 3.44Å; V109-V798 VanDerWaalsContact CG2-CG2 3.44Å
110	D	76.2	Confident	83.1	Confident	12 Å²	12	4.4 Å²	4.4	6%	0.064	2%	0.024	C	C	.	.	G	3₁₀ helix	trans	-48.6	-27.3	173.1	-80.5	36.7	0	0	0	114.7	H108 L536 H537	H108-D110 IonicContact CE1-OD1 3.61Å; H108-D110 PolarHBondContact CE1-OD1 3.34Å; H108-D110 WeakPolarHBondContact ND1-CB 3.37Å; H108-D110 PolarHBondContact ND1-N 2.94Å; H108-D110 IonicContact ND1-OD1 3.23Å; H108-D110 PolarHBondContact O-N 3.05Å; D110-L536 WeakPolarHBondContact OD2-CB 3.48Å; D110-H537 HydrophobicContact CB-CB 4.01Å; D110-H537 PolarHBondContact OD2-N 3.45Å; D110-H537 VanDerWaalsContact OD2-N 3.1Å
111	F	77.8	Confident	83.2	Confident	1 Å²	1	4.5 Å²	4.5	0%	0.004	3%	0.025	C	C	.	.	G	3₁₀ helix	trans	-108.6	23	-178.2	-51.5	-68.2	0	0	0	112.9	I70 P106 H108 V109 S113 E114 V115 L536 H537 I540	I70-F111 HydrophobicContact CG1-CE2 4.21Å; I70-F111 HydrophobicContact CG1-CZ 4.3Å; I70-F111 HydrophobicContact CG2-CD1 4.3Å; I70-F111 HydrophobicContact CG2-CE1 3.83Å; I70-F111 HydrophobicContact CG2-CE2 4.45Å; I70-F111 HydrophobicContact CG2-CZ 3.95Å; P106-F111 HydrophobicContact CB-CB 3.46Å; P106-F111 VanDerWaalsContact CB-CB 3.46Å; P106-F111 HydrophobicContact CB-CD2 4.33Å; P106-F111 HydrophobicContact CB-CG 4.24Å; P106-F111 HydrophobicContact CG-CB 3.74Å; H108-F111 HydrophobicContact CB-CD2 4.02Å; H108-F111 HydrophobicContact CB-CE2 4.35Å; H108-F111 PolarHBondContact O-N 3.4Å; H108-F111 VanDerWaalsContact O-N 3.09Å; V109-F111 PolarHBondContact O-N 3.48Å; F111-S113 PolarHBondContact O-N 3.32Å; F111-S113 VanDerWaalsContact O-N 3.16Å; F111-E114 WeakPolarHBondContact O-CB 3.47Å; F111-E114 PolarHBondContact O-N 2.88Å; F111-V115 PolarHBondContact O-N 3.47Å; F111-L536 HydrophobicContact CE2-CD2 4.03Å; F111-L536 HydrophobicContact CZ-CD2 4.42Å; F111-H537 HydrophobicContact CE1-CB 4.38Å; F111-H537 AromaticContact CE1-CD2 3.89Å; F111-I540 HydrophobicContact CE1-CD1 4.27Å; F111-I540 HydrophobicContact CE2-CD1 4.3Å; F111-I540 HydrophobicContact CZ-CD1 3.48Å; F111-I540 VanDerWaalsContact CZ-CD1 3.48Å
112	S	76.5	Confident	83.4	Confident	1 Å²	1	4.4 Å²	4.4	1%	0.007	2%	0.024	C	C	.	.	H	α-helix	trans	-55.1	-29.6	176.2	53	0	0	0	0	113.8	V109 E114 V115 T116 V485	V109-S112 VanDerWaalsContact O-CB 3.28Å; V109-S112 WeakPolarHBondContact O-CB 3.21Å; V109-S112 PolarHBondContact O-N 2.89Å; V109-S112 PolarHBondContact O-OG 3.45Å; V109-S112 VanDerWaalsContact O-OG 3.09Å; S112-E114 VanDerWaalsContact C-N 3.33Å; S112-E114 PolarHBondContact O-N 3.4Å; S112-V115 WeakPolarHBondContact O-CB 3.2Å; S112-V115 PolarHBondContact O-N 3.44Å; S112-T116 PolarHBondContact O-N 3.44Å; S112-T116 PolarHBondContact O-OG1 3.36Å; S112-V485 WeakPolarHBondContact OG-CG2 3.17Å
113	S	78.9	Confident	83.8	Confident	1 Å²	1	4.3 Å²	4.3	1%	0.007	2%	0.023	C	C	.	.	H	α-helix	trans	-59.2	-40.8	172.4	46	0	0	0	0	113.4	F111 V115 T116 A117 M517	F111-S113 PolarHBondContact O-N 3.32Å; F111-S113 VanDerWaalsContact O-N 3.16Å; S113-V115 VanDerWaalsContact C-N 3.3Å; S113-T116 PolarHBondContact O-N 2.97Å; S113-A117 WeakPolarHBondContact O-CB 3.33Å; S113-A117 PolarHBondContact O-N 3.05Å; S113-M517 WeakPolarHBondContact OG-CB 3.18Å
114	E	84	Confident	84.2	Confident	1 Å²	1	4.1 Å²	4.1	1%	0.005	2%	0.022	C	C	.	.	H	α-helix	trans	-67.8	-35.3	177.5	-74.7	-83.5	169.1	0	0	110.6	K71 S72 P106 F111 S112 A117 A118 K382	K71-E114 VanDerWaalsContact CD-OE1 3.3Å; K71-E114 WeakPolarHBondContact CD-OE1 3.43Å; K71-E114 IonicContact NZ-OE1 3.28Å; K71-E114 PolarHBondContact NZ-OE1 3.31Å; S72-E114 PolarHBondContact N-OE2 2.99Å; S72-E114 PolarHBondContact OG-O 3.23Å; S72-E114 PolarHBondContact OG-OE2 3.27Å; P106-E114 HydrophobicContact CG-CB 3.78Å; P106-E114 HydrophobicContact CG-CG 4.45Å; F111-E114 WeakPolarHBondContact O-CB 3.47Å; F111-E114 PolarHBondContact O-N 2.88Å; S112-E114 VanDerWaalsContact C-N 3.33Å; S112-E114 PolarHBondContact O-N 3.4Å; E114-A117 PolarHBondContact O-N 3.34Å; E114-A118 WeakPolarHBondContact O-CB 3.47Å; E114-A118 PolarHBondContact O-N 2.89Å; E114-K382 IonicContact OE2-NZ 2.92Å; E114-K382 PolarHBondContact OE2-NZ 3.47Å; E114-K382 VanDerWaalsContact OE2-NZ 3.09Å
115	V	86	Confident	84.7	Confident	0 Å²	0	4.1 Å²	4.1	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-64.1	-50.6	174	-176.6	0	0	0	0	110.5	I25 P106 F111 S112 S113 A117 A118 L119 V142	I25-V115 HydrophobicContact CG2-CG1 4.33Å; P106-V115 HydrophobicContact CB-CG2 4.48Å; P106-V115 VanDerWaalsContact O-CG2 3.22Å; P106-V115 WeakPolarHBondContact O-CG2 3.35Å; F111-V115 PolarHBondContact O-N 3.47Å; S112-V115 WeakPolarHBondContact O-CB 3.2Å; S112-V115 PolarHBondContact O-N 3.44Å; S113-V115 VanDerWaalsContact C-N 3.3Å; V115-A117 VanDerWaalsContact C-N 3.28Å; V115-A117 PolarHBondContact O-N 3.21Å; V115-A118 WeakPolarHBondContact O-CB 3.26Å; V115-A118 PolarHBondContact O-N 3.46Å; V115-A118 VanDerWaalsContact O-N 3.13Å; V115-L119 HydrophobicContact CG1-CD1 3.8Å; V115-L119 HydrophobicContact CG1-CG 4.21Å; V115-L119 WeakPolarHBondContact O-CB 3.4Å; V115-L119 VanDerWaalsContact O-CG 3.26Å; V115-L119 WeakPolarHBondContact O-CG 3.31Å; V115-L119 PolarHBondContact O-N 3.06Å; V115-V142 HydrophobicContact CG1-CB 4.25Å; V115-V142 HydrophobicContact CG1-CG1 4.01Å; V115-V142 HydrophobicContact CG2-CG1 4.47Å
116	T	84	Confident	85.3	Confident	7 Å²	7	4.1 Å²	4.1	4%	0.043	2%	0.023	C	C	.	.	H	α-helix	trans	-57.8	-41.3	176.5	-56	0	0	0	0	111.9	S112 S113 L119 R120 M481	S112-T116 PolarHBondContact O-N 3.44Å; S112-T116 PolarHBondContact O-OG1 3.36Å; S113-T116 PolarHBondContact O-N 2.97Å; T116-L119 PolarHBondContact O-N 2.82Å; T116-R120 PolarHBondContact O-N 3.12Å; T116-M481 HydrophobicContact CG2-CB 4.17Å; T116-M481 HydrophobicContact CG2-CG 4.24Å; T116-M481 HydrophobicContact CG2-SD 4.2Å
117	A	85.7	Confident	86	Confident	3 Å²	3	4.1 Å²	4.1	3%	0.025	2%	0.023	C	C	.	.	H	α-helix	trans	-61.4	-44.8	175.1	0	0	0	0	0	112.8	S113 E114 V115 S381 M481	S113-A117 WeakPolarHBondContact O-CB 3.33Å; S113-A117 PolarHBondContact O-N 3.05Å; E114-A117 PolarHBondContact O-N 3.34Å; V115-A117 VanDerWaalsContact C-N 3.28Å; V115-A117 PolarHBondContact O-N 3.21Å; A117-S381 WeakPolarHBondContact CA-OG 3.31Å; A117-S381 WeakPolarHBondContact CB-OG 3.38Å; A117-S381 PolarHBondContact O-OG 3.46Å; A117-M481 WeakPolarHBondContact CA-SD 3.36Å; A117-M481 HydrophobicContact CB-CE 4.14Å; A117-M481 HydrophobicContact CB-SD 3.96Å
118	A	89.2	Confident	87.2	Confident	3 Å²	3	3.9 Å²	3.9	3%	0.025	2%	0.02	C	C	.	.	H	α-helix	trans	-61.5	-47.6	175.2	0	0	0	0	0	111.5	S23 I103 E114 V115 R120 I121 T122	S23-A118 PolarHBondContact OG-O 2.81Å; I103-A118 HydrophobicContact CB-CB 4.31Å; I103-A118 HydrophobicContact CG2-CB 3.59Å; E114-A118 WeakPolarHBondContact O-CB 3.47Å; E114-A118 PolarHBondContact O-N 2.89Å; V115-A118 WeakPolarHBondContact O-CB 3.26Å; V115-A118 PolarHBondContact O-N 3.46Å; V115-A118 VanDerWaalsContact O-N 3.13Å; A118-R120 VanDerWaalsContact C-N 3.34Å; A118-R120 PolarHBondContact O-N 3.29Å; A118-I121 VanDerWaalsContact O-CG1 3.29Å; A118-I121 WeakPolarHBondContact O-CG1 3.42Å; A118-I121 PolarHBondContact O-N 2.91Å; A118-T122 WeakPolarHBondContact O-CG2 3.48Å; A118-T122 PolarHBondContact O-N 3.38Å; A118-T122 PolarHBondContact O-OG1 3.49Å
119	L	91	Very high	88.1	Confident	0 Å²	0	2.3 Å²	2.3	0%	0	1%	0.013	C	C	.	.	H	α-helix	trans	-60.4	-40.2	-179.1	-71.2	175.6	0	0	0	112.3	I25 V115 T116 I121 T122 Q145 A146 E149 I151 R350	I25-L119 HydrophobicContact CG2-CD2 4.14Å; V115-L119 HydrophobicContact CG1-CD1 3.8Å; V115-L119 HydrophobicContact CG1-CG 4.21Å; V115-L119 WeakPolarHBondContact O-CB 3.4Å; V115-L119 VanDerWaalsContact O-CG 3.26Å; V115-L119 WeakPolarHBondContact O-CG 3.31Å; V115-L119 PolarHBondContact O-N 3.06Å; T116-L119 PolarHBondContact O-N 2.82Å; L119-I121 PolarHBondContact O-N 3.5Å; L119-I121 VanDerWaalsContact O-N 3.09Å; L119-T122 WeakPolarHBondContact CA-OG1 3.03Å; L119-T122 PolarHBondContact O-N 3.4Å; L119-T122 VanDerWaalsContact O-N 3.11Å; L119-T122 PolarHBondContact O-OG1 2.91Å; L119-Q145 HydrophobicContact CD1-CB 3.81Å; L119-A146 HydrophobicContact CD1-CB 4.08Å; L119-A146 HydrophobicContact CD2-CB 3.84Å; L119-E149 HydrophobicContact CB-CG 4.46Å; L119-I151 HydrophobicContact CB-CD1 3.38Å; L119-I151 HydrophobicContact CD2-CD1 3.46Å; L119-I151 VanDerWaalsContact CD2-CD1 3.46Å; L119-I151 HydrophobicContact CG-CD1 3.93Å; L119-I151 WeakPolarHBondContact O-CD1 3.16Å; L119-R350 PolarHBondContact O-NH2 3.45Å
120	R	89.5	Confident	89.1	Confident	13 Å²	13	2.1 Å²	2.1	5%	0.049	1%	0.012	C	C	.	.	H	α-helix	trans	-57.8	-31.7	-179.1	-175.8	53.7	64.8	111.7	3.6	113.3	T116 A118 E149 R350 Y379 R479 M481	T116-R120 PolarHBondContact O-N 3.12Å; A118-R120 VanDerWaalsContact C-N 3.34Å; A118-R120 PolarHBondContact O-N 3.29Å; R120-E149 IonicContact CZ-OE1 2.7Å; R120-E149 IonicContact CZ-OE2 3.15Å; R120-E149 VanDerWaalsContact NE-CD 3.32Å; R120-E149 IonicContact NE-OE1 2.82Å; R120-E149 PolarHBondContact NE-OE1 2.96Å; R120-E149 IonicContact NE-OE2 3.86Å; R120-E149 PolarHBondContact NE-OE2 2.89Å; R120-E149 IonicContact NH2-OE1 3.57Å; R120-E149 PolarHBondContact NH2-OE1 3.42Å; R120-E149 IonicContact NH2-OE2 3.8Å; R120-E149 PolarHBondContact NH2-OE2 2.93Å; R120-R350 PolarHBondContact O-NH2 3.23Å; R120-Y379 HydrophobicContact CB-CE1 4.38Å; R120-Y379 HydrophobicContact CG-CD1 3.77Å; R120-Y379 HydrophobicContact CG-CE1 3.49Å; R120-Y379 VanDerWaalsContact CG-CE1 3.49Å; R120-R479 PolarHBondContact NH1-O 3Å; R120-M481 HydrophobicContact CB-CG 4.22Å; R120-M481 HydrophobicContact CB-SD 4.01Å; R120-M481 HydrophobicContact CG-CG 4.18Å; R120-M481 HydrophobicContact CG-SD 4.44Å
121	I	92.5	Very high	89.9	Confident	2 Å²	2	1.6 Å²	1.6	1%	0.01	1%	0.009	C	C	.	.	H	α-helix	trans	-100.1	-2.5	-179	59.7	173.7	0	0	0	114.2	I103 A118 L119 Y379 F395 R397 T451	I103-I121 HydrophobicContact CD1-CD1 3.46Å; I103-I121 VanDerWaalsContact CD1-CD1 3.46Å; I103-I121 HydrophobicContact CD1-CG1 3.67Å; A118-I121 VanDerWaalsContact O-CG1 3.29Å; A118-I121 WeakPolarHBondContact O-CG1 3.42Å; A118-I121 PolarHBondContact O-N 2.91Å; L119-I121 PolarHBondContact O-N 3.5Å; L119-I121 VanDerWaalsContact O-N 3.09Å; I121-Y379 HydrophobicContact CG2-CD1 4.24Å; I121-F395 HydrophobicContact CD1-CD1 4.1Å; I121-F395 HydrophobicContact CD1-CE1 3.49Å; I121-F395 VanDerWaalsContact CD1-CE1 3.49Å; I121-F395 HydrophobicContact CD1-CZ 4.19Å; I121-R397 HydrophobicContact CB-CB 3.87Å; I121-R397 HydrophobicContact CG2-CB 3.85Å; I121-R397 WeakPolarHBondContact O-CD 3.27Å; I121-R397 PolarHBondContact O-NH1 2.81Å; I121-T451 HydrophobicContact CD1-CG2 4.39Å
122	T	94.7	Very high	90.3	Very high	0 Å²	0	2.6 Å²	2.6	0%	0	1%	0.014	C	C	.	.			trans	-107.7	158.9	178.6	57.2	0	0	0	0	112.2	N21 M22 S23 I103 A118 L119 R350	N21-T122 HydrophobicContact CB-CG2 4.47Å; M22-T122 VanDerWaalsContact C-CG2 3.41Å; S23-T122 WeakPolarHBondContact OG-CG2 3.4Å; S23-T122 PolarHBondContact OG-OG1 3.01Å; I103-T122 HydrophobicContact CB-CG2 4.48Å; I103-T122 HydrophobicContact CD1-CG2 3.67Å; I103-T122 HydrophobicContact CG1-CG2 4.04Å; A118-T122 WeakPolarHBondContact O-CG2 3.48Å; A118-T122 PolarHBondContact O-N 3.38Å; A118-T122 PolarHBondContact O-OG1 3.49Å; L119-T122 WeakPolarHBondContact CA-OG1 3.03Å; L119-T122 PolarHBondContact O-N 3.4Å; L119-T122 VanDerWaalsContact O-N 3.11Å; L119-T122 PolarHBondContact O-OG1 2.91Å; T122-R350 VanDerWaalsContact O-CZ 3.24Å; T122-R350 PolarHBondContact O-NH1 3.5Å; T122-R350 PolarHBondContact O-NH2 3.26Å
123	D	96.2	Very high	90.7	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	2%	0.022	C	C	.	.	S	Bend	trans	-111.1	-20.8	-176.9	-62	-44.5	0	0	0	112.9	N21 R152 P341 A346 R350 R397	N21-D123 PolarHBondContact ND2-OD2 3.27Å; N21-D123 PolarHBondContact O-N 2.86Å; D123-R152 PolarHBondContact O-N 2.97Å; D123-P341 HydrophobicContact CB-CG 4.12Å; D123-A346 HydrophobicContact CB-CB 3.6Å; D123-A346 VanDerWaalsContact CG-CB 3.43Å; D123-A346 WeakPolarHBondContact OD1-CB 3.11Å; D123-R350 IonicContact OD1-NH1 4Å; D123-R350 PolarHBondContact OD1-NH1 2.73Å; D123-R397 IonicContact OD1-CZ 3.34Å; D123-R397 IonicContact OD1-NH1 3.16Å; D123-R397 PolarHBondContact OD1-NH1 3.22Å; D123-R397 IonicContact OD1-NH2 2.98Å; D123-R397 PolarHBondContact OD1-NH2 2.91Å; D123-R397 IonicContact OD2-CZ 3.73Å; D123-R397 IonicContact OD2-NH1 2.88Å; D123-R397 PolarHBondContact OD2-NH1 2.88Å; D123-R397 IonicContact OD2-NH2 3.78Å; D123-R397 PolarHBondContact OD2-NH2 2.77Å
124	G	96.3	Very high	91.1	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	3%	0.025	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	165	175.4	0	0	0	0	0	112.8	N21 M22 S23 R152	N21-G124 PolarHBondContact O-N 3.3Å; M22-G124 CarbonylContact C-O 3.54Å; M22-G124 WeakPolarHBondContact CA-O 3.38Å; M22-G124 WeakPolarHBondContact CB-O 3.42Å; S23-G124 PolarHBondContact N-O 3.32Å; G124-R152 CarbonylContact C-O 3.54Å; G124-R152 WeakPolarHBondContact CA-O 3.23Å
125	A	96	Very high	91.2	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.033	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	135	174.8	0	0	0	0	0	111.4	S23 I25 I151 R152 P153 V154	S23-A125 CarbonylContact O-C 3.56Å; S23-A125 VanDerWaalsContact O-CA 3.24Å; S23-A125 WeakPolarHBondContact O-CA 3.33Å; I25-A125 HydrophobicContact CD1-CB 3.76Å; I25-A125 HydrophobicContact CG1-CB 4.16Å; A125-I151 HydrophobicContact CB-CG2 3.8Å; A125-R152 PolarHBondContact N-O 2.95Å; A125-P153 CarbonylContact O-C 3.47Å; A125-P153 WeakPolarHBondContact O-CA 3.39Å; A125-V154 PolarHBondContact O-N 3.48Å
126	L	96.1	Very high	91	Very high	1 Å²	1	6.1 Å²	6.1	1%	0.005	3%	0.034	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	108.4	166	177.3	65.4	0	0	0	108.3	M22 S23 V24 I25 L35 V128 V154 T156 M335 M336	M22-L126 HydrophobicContact CE-CB 3.4Å; M22-L126 VanDerWaalsContact CE-CB 3.4Å; S23-L126 PolarHBondContact O-N 3.29Å; V24-L126 HydrophobicContact CG1-CB 4.37Å; V24-L126 HydrophobicContact CG1-CD2 4.22Å; V24-L126 HydrophobicContact CG1-CG 4.41Å; I25-L126 PolarHBondContact N-O 3.36Å; L35-L126 HydrophobicContact CD2-CD2 4.05Å; L126-V128 HydrophobicContact CD2-CG2 4.39Å; L126-V128 HydrophobicContact CG-CG2 4.21Å; L126-V154 HydrophobicContact CB-CG2 4.42Å; L126-V154 HydrophobicContact CD1-CG2 3.87Å; L126-T156 HydrophobicContact CD1-CG2 3.81Å; L126-T156 HydrophobicContact CD2-CG2 4.28Å; L126-T156 HydrophobicContact CG-CG2 4.09Å; L126-M335 HydrophobicContact CD1-CE 3.7Å; L126-M336 HydrophobicContact CB-CE 4.47Å; L126-M336 HydrophobicContact CD2-CE 3.71Å
127	V	96.4	Very high	90.6	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	119.4	174.8	-168.5	0	0	0	0	108.3	I25 V129 T139 L143 P153 V154 L155 T156	I25-V127 HydrophobicContact CD1-CG2 4.09Å; I25-V127 HydrophobicContact CG1-CB 4.47Å; I25-V127 HydrophobicContact CG1-CG2 4.09Å; I25-V127 CarbonylContact O-C 3.4Å; I25-V127 WeakPolarHBondContact O-CA 3.49Å; V127-V129 HydrophobicContact CG1-CG2 3.96Å; V127-T139 HydrophobicContact CG1-CG2 3.92Å; V127-L143 HydrophobicContact CG2-CD1 3.98Å; V127-P153 HydrophobicContact CG2-CB 3.89Å; V127-V154 PolarHBondContact N-O 2.79Å; V127-L155 HydrophobicContact CB-CD1 3.95Å; V127-L155 HydrophobicContact CG1-CD1 3.99Å; V127-T156 PolarHBondContact O-N 3.03Å
128	V	96.1	Very high	90.3	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	119.7	178.9	-172.6	0	0	0	0	109.5	V24 I25 A26 H30 L35 L126 T156 N158	V24-V128 HydrophobicContact CG1-CG2 3.54Å; I25-V128 PolarHBondContact O-N 3.39Å; A26-V128 HydrophobicContact CB-CB 3.82Å; H30-V128 PolarHBondContact ND1-O 2.8Å; H30-V128 WeakPolarHBondContact O-CG1 3.28Å; L35-V128 HydrophobicContact CD2-CG1 4.37Å; L35-V128 HydrophobicContact CD2-CG2 4.04Å; L126-V128 HydrophobicContact CD2-CG2 4.39Å; L126-V128 HydrophobicContact CG-CG2 4.21Å; V128-T156 HydrophobicContact CB-CG2 4.06Å; V128-T156 HydrophobicContact CG1-CG2 4.01Å; V128-T156 HydrophobicContact CG2-CG2 3.75Å; V128-N158 HydrophobicContact CG1-CB 3.7Å
129	V	95.3	Very high	90.2	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	123	-178	-174.1	0	0	0	0	109.7	V127 C131 G134 V135 T139 L155 T156 V157 N158 V181	V127-V129 HydrophobicContact CG1-CG2 3.96Å; V129-C131 PolarHBondContact O-N 2.86Å; V129-G134 WeakPolarHBondContact CG1-O 3.39Å; V129-V135 HydrophobicContact CG1-CG2 4.23Å; V129-T139 HydrophobicContact CG2-CG2 3.95Å; V129-L155 HydrophobicContact CB-CD1 4.14Å; V129-L155 HydrophobicContact CG2-CD1 3.52Å; V129-T156 PolarHBondContact N-O 2.97Å; V129-V157 CarbonylContact O-C 3.59Å; V129-V157 WeakPolarHBondContact O-CA 3.23Å; V129-N158 PolarHBondContact O-N 3.12Å; V129-V181 HydrophobicContact CB-CG1 4.04Å; V129-V181 HydrophobicContact CG1-CG1 3.52Å
130	D	93	Very high	89.8	Confident	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	132.5	172.6	179.6	-36.2	0	0	0	109.1	H30 I132 E133 G134 K159 R162	H30-D130 HydrophobicContact CB-CB 4.43Å; H30-D130 PolarHBondContact ND1-N 3.25Å; D130-I132 PolarHBondContact O-N 2.89Å; D130-I132 WeakPolarHBondContact OD1-CA 3.23Å; D130-I132 WeakPolarHBondContact OD1-CB 3.37Å; D130-I132 PolarHBondContact OD1-N 3.05Å; D130-E133 HydrophobicContact CB-CB 4.02Å; D130-E133 HydrophobicContact CB-CG 4.33Å; D130-E133 PolarHBondContact OD1-N 3.3Å; D130-G134 VanDerWaalsContact O-CA 3.29Å; D130-G134 WeakPolarHBondContact O-CA 3.42Å; D130-G134 PolarHBondContact O-N 3.26Å; D130-K159 WeakPolarHBondContact OD2-CD 3.48Å; D130-K159 WeakPolarHBondContact OD2-CE 3.21Å; D130-K159 IonicContact OD2-NZ 3.45Å; D130-K159 PolarHBondContact OD2-NZ 3.23Å; D130-R162 IonicContact OD1-NH1 3.34Å; D130-R162 IonicContact OD2-NH1 3.45Å; D130-R162 PolarHBondContact OD2-NH1 3.03Å; D130-R162 VanDerWaalsContact OD2-NH1 3.15Å
131	C	92.4	Very high	89.4	Confident	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-20.5	-176.6	69.8	0	0	0	0	114.3	V129 V157 N158 K159 T177 F178	V129-C131 PolarHBondContact O-N 2.86Å; C131-V157 HydrophobicContact CB-CG1 3.37Å; C131-N158 WeakPolarHBondContact CB-O 3.49Å; C131-N158 PolarHBondContact N-O 3.32Å; C131-N158 PolarHBondContact SG-O 3.49Å; C131-K159 PolarHBondContact SG-O 2.78Å; C131-T177 WeakPolarHBondContact O-CG2 3.5Å; C131-F178 HydrophobicContact CB-CD1 3.91Å; C131-F178 HydrophobicContact CB-CE1 3.6Å
132	I	87.3	Confident	89.1	Confident	22 Å²	22	10.4 Å²	10.4	11%	0.113	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-45.8	179.1	-54	-51.1	0	0	0	110.9	D130 R162 L167 T764	D130-I132 PolarHBondContact O-N 2.89Å; D130-I132 WeakPolarHBondContact OD1-CA 3.23Å; D130-I132 WeakPolarHBondContact OD1-CB 3.37Å; D130-I132 PolarHBondContact OD1-N 3.05Å; I132-R162 HydrophobicContact CG1-CB 4.28Å; I132-L167 HydrophobicContact CD1-CD1 3.51Å; I132-L167 HydrophobicContact CG1-CD1 3.97Å; I132-L167 HydrophobicContact CG2-CD1 4.19Å; I132-T764 HydrophobicContact CG2-CG2 4.36Å
133	E	83.9	Confident	88.8	Confident	39 Å²	39	10.4 Å²	10.4	18%	0.182	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-34.5	178.6	-60.9	168.7	-158.8	0	0	111	H30 D130 K159 R162 R761	H30-E133 IonicContact CD2-OE2 3.18Å; H30-E133 PolarHBondContact CD2-OE2 3.38Å; H30-E133 VanDerWaalsContact CD2-OE2 3.23Å; H30-E133 IonicContact NE2-OE2 2.78Å; H30-E133 PolarHBondContact NE2-OE2 3.08Å; D130-E133 HydrophobicContact CB-CB 4.02Å; D130-E133 HydrophobicContact CB-CG 4.33Å; D130-E133 PolarHBondContact OD1-N 3.3Å; E133-K159 IonicContact OE1-NZ 2.91Å; E133-R162 IonicContact OE1-NH1 2.78Å; E133-R761 PolarHBondContact O-NH1 3.27Å; E133-R761 PolarHBondContact O-NH2 2.79Å
134	G	87.2	Confident	88.3	Confident	7 Å²	7	15.4 Å²	15.4	7%	0.072	8%	0.075	C	C	.	.			trans	69.3	-157.9	-179.2	0	0	0	0	0	113	H30 V129 D130 C136	H30-G134 PolarHBondContact CE1-O 3.34Å; V129-G134 WeakPolarHBondContact CG1-O 3.39Å; D130-G134 VanDerWaalsContact O-CA 3.29Å; D130-G134 WeakPolarHBondContact O-CA 3.42Å; D130-G134 PolarHBondContact O-N 3.26Å; G134-C136 PolarHBondContact O-N 3.32Å; G134-C136 PolarHBondContact O-SG 2.83Å
135	V	85.8	Confident	87.8	Confident	27 Å²	27	16.6 Å²	16.6	16%	0.164	8%	0.08	C	C	.	.	S	Bend	trans	-75.8	123.2	-176.6	-178.8	0	0	0	0	110.1	V129 T139 N184 A185 I188	V129-V135 HydrophobicContact CG1-CG2 4.23Å; V135-T139 HydrophobicContact CG1-CG2 4.02Å; V135-N184 HydrophobicContact CB-CB 4.25Å; V135-N184 HydrophobicContact CG2-CB 3.99Å; V135-A185 HydrophobicContact CG2-CB 4.06Å; V135-I188 HydrophobicContact CG1-CD1 3.5Å
136	C	82.6	Confident	87.6	Confident	5 Å²	5	16.6 Å²	16.6	3%	0.034	8%	0.08	C	C	.	.			trans	-114.7	169.4	-179.9	-55	0	0	0	0	111	H27 G134 Q138 T139 E140 Q735 R761	H27-C136 HydrophobicContact CB-CB 4.29Å; H27-C136 WeakPolarHBondContact CE1-CB 3.44Å; H27-C136 WeakPolarHBondContact ND1-CB 3.33Å; G134-C136 PolarHBondContact O-N 3.32Å; G134-C136 PolarHBondContact O-SG 2.83Å; C136-Q138 VanDerWaalsContact C-N 3.3Å; C136-Q138 PolarHBondContact O-N 3.46Å; C136-T139 WeakPolarHBondContact O-CA 3.26Å; C136-T139 VanDerWaalsContact O-CB 3.28Å; C136-T139 WeakPolarHBondContact O-CB 3.41Å; C136-T139 PolarHBondContact O-N 2.9Å; C136-E140 PolarHBondContact O-N 2.73Å; C136-E140 VanDerWaalsContact O-N 3.16Å; C136-Q735 PolarHBondContact SG-NE2 3.38Å; C136-R761 PolarHBondContact SG-NH2 2.97Å
137	V	74.9	Confident	87.3	Confident	17 Å²	17	16.8 Å²	16.8	10%	0.103	8%	0.081	C	C	.	.	H	α-helix	trans	-54.4	-41.8	-174.4	169	0	0	0	0	113.1	T139 E140 T141 M731 E733	V137-T139 VanDerWaalsContact C-N 3.32Å; V137-T139 PolarHBondContact O-N 3.05Å; V137-E140 WeakPolarHBondContact O-CB 3.15Å; V137-E140 PolarHBondContact O-N 2.78Å; V137-T141 PolarHBondContact O-N 3.16Å; V137-T141 PolarHBondContact O-OG1 2.91Å; V137-M731 HydrophobicContact CG1-CE 3.79Å; V137-M731 HydrophobicContact CG2-CE 4.4Å; V137-E733 WeakPolarHBondContact CB-OE2 3.35Å; V137-E733 HydrophobicContact CG2-CB 4.32Å; V137-E733 VanDerWaalsContact CG2-CD 3.46Å; V137-E733 HydrophobicContact CG2-CG 4.32Å; V137-E733 WeakPolarHBondContact CG2-OE2 3.17Å; V137-E733 PolarHBondContact N-OE2 3.43Å
138	Q	80	Confident	86.8	Confident	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-69.7	-31.1	178.8	-167.7	61.3	5.7	0	0	112.7	H27 G107 C136 E140 T141 V142	H27-Q138 HydrophobicContact CB-CB 4.35Å; H27-Q138 WeakPolarHBondContact ND1-CB 3.34Å; G107-Q138 VanDerWaalsContact O-CG 3.3Å; G107-Q138 WeakPolarHBondContact O-CG 3.47Å; C136-Q138 VanDerWaalsContact C-N 3.3Å; C136-Q138 PolarHBondContact O-N 3.46Å; Q138-E140 VanDerWaalsContact C-N 3.3Å; Q138-E140 PolarHBondContact O-N 3.13Å; Q138-T141 PolarHBondContact O-N 2.88Å; Q138-V142 HydrophobicContact CG-CG1 4.19Å; Q138-V142 WeakPolarHBondContact O-CG1 3.39Å; Q138-V142 VanDerWaalsContact O-CG2 3.24Å; Q138-V142 WeakPolarHBondContact O-CG2 3.44Å; Q138-V142 PolarHBondContact O-N 2.98Å
139	T	86.6	Confident	86.4	Confident	1 Å²	1	20.3 Å²	20.3	1%	0.006	11%	0.111	C	C	.	.	H	α-helix	trans	-61.6	-44	173.3	-57.3	0	0	0	0	109.7	H27 V127 V129 V135 C136 V137 V142 L143	H27-T139 WeakPolarHBondContact CB-OG1 3.3Å; V127-T139 HydrophobicContact CG1-CG2 3.92Å; V129-T139 HydrophobicContact CG2-CG2 3.95Å; V135-T139 HydrophobicContact CG1-CG2 4.02Å; C136-T139 WeakPolarHBondContact O-CA 3.26Å; C136-T139 VanDerWaalsContact O-CB 3.28Å; C136-T139 WeakPolarHBondContact O-CB 3.41Å; C136-T139 PolarHBondContact O-N 2.9Å; V137-T139 VanDerWaalsContact C-N 3.32Å; V137-T139 PolarHBondContact O-N 3.05Å; T139-V142 WeakPolarHBondContact O-CG2 3.49Å; T139-L143 WeakPolarHBondContact O-CB 3.2Å; T139-L143 PolarHBondContact O-N 3.27Å
140	E	82.9	Confident	86.3	Confident	82 Å²	82	21.3 Å²	21.3	38%	0.383	12%	0.115	S	C	.	.	H	α-helix	trans	-61.3	-47.2	174.2	-177.1	-178.2	164.1	0	0	111.7	C136 V137 Q138 V142 L143 R144 I188	C136-E140 PolarHBondContact O-N 2.73Å; C136-E140 VanDerWaalsContact O-N 3.16Å; V137-E140 WeakPolarHBondContact O-CB 3.15Å; V137-E140 PolarHBondContact O-N 2.78Å; Q138-E140 VanDerWaalsContact C-N 3.3Å; Q138-E140 PolarHBondContact O-N 3.13Å; E140-V142 PolarHBondContact O-N 3.05Å; E140-L143 PolarHBondContact O-N 2.87Å; E140-R144 VanDerWaalsContact O-CB 3.3Å; E140-R144 WeakPolarHBondContact O-CB 3.45Å; E140-R144 PolarHBondContact O-N 3.44Å; E140-I188 HydrophobicContact CB-CD1 3.77Å; E140-I188 HydrophobicContact CG-CD1 3.87Å; E140-I188 HydrophobicContact CG-CG1 4.12Å; E140-I188 HydrophobicContact CG-CG2 4Å
141	T	80.2	Confident	86.3	Confident	17 Å²	17	21.3 Å²	21.3	10%	0.104	12%	0.115	C	C	.	.	H	α-helix	trans	-60.3	-49.5	-178.2	-61.7	0	0	0	0	111.9	V137 Q138 R144 Q145	V137-T141 PolarHBondContact O-N 3.16Å; V137-T141 PolarHBondContact O-OG1 2.91Å; Q138-T141 PolarHBondContact O-N 2.88Å; T141-R144 PolarHBondContact O-N 3.49Å; T141-Q145 WeakPolarHBondContact O-CG 3.19Å; T141-Q145 PolarHBondContact O-N 3.11Å
142	V	87.7	Confident	86.5	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-70.8	-32.6	180	-58.9	0	0	0	0	112	I25 V115 Q138 T139 E140 Q145 A146	I25-V142 HydrophobicContact CB-CB 4.14Å; I25-V142 HydrophobicContact CB-CG2 3.77Å; I25-V142 HydrophobicContact CD1-CB 4.41Å; I25-V142 HydrophobicContact CD1-CG2 4.03Å; I25-V142 HydrophobicContact CG1-CG2 4.06Å; V115-V142 HydrophobicContact CG1-CB 4.25Å; V115-V142 HydrophobicContact CG1-CG1 4.01Å; V115-V142 HydrophobicContact CG2-CG1 4.47Å; Q138-V142 HydrophobicContact CG-CG1 4.19Å; Q138-V142 WeakPolarHBondContact O-CG1 3.39Å; Q138-V142 VanDerWaalsContact O-CG2 3.24Å; Q138-V142 WeakPolarHBondContact O-CG2 3.44Å; Q138-V142 PolarHBondContact O-N 2.98Å; T139-V142 WeakPolarHBondContact O-CG2 3.49Å; E140-V142 PolarHBondContact O-N 3.05Å; V142-Q145 PolarHBondContact O-N 3.23Å; V142-A146 WeakPolarHBondContact O-CB 3.36Å; V142-A146 PolarHBondContact O-N 3.49Å
143	L	89	Confident	86.9	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-68.5	-42.4	175.4	-175.4	57	0	0	0	111.2	V127 T139 E140 Q145 A146 L147 P153 I188 M189	V127-L143 HydrophobicContact CG2-CD1 3.98Å; T139-L143 WeakPolarHBondContact O-CB 3.2Å; T139-L143 PolarHBondContact O-N 3.27Å; E140-L143 PolarHBondContact O-N 2.87Å; L143-Q145 PolarHBondContact O-N 3.31Å; L143-A146 WeakPolarHBondContact O-CB 3.48Å; L143-A146 PolarHBondContact O-N 2.77Å; L143-L147 HydrophobicContact CD1-CD1 4.32Å; L143-L147 HydrophobicContact CD1-CG 4.36Å; L143-L147 HydrophobicContact CG-CD1 4.09Å; L143-L147 WeakPolarHBondContact O-CB 3.15Å; L143-L147 VanDerWaalsContact O-CG 3.27Å; L143-L147 WeakPolarHBondContact O-CG 3.28Å; L143-L147 PolarHBondContact O-N 3.47Å; L143-P153 HydrophobicContact CD1-CB 4.03Å; L143-P153 HydrophobicContact CD1-CG 4.36Å; L143-I188 HydrophobicContact CD2-CB 4.12Å; L143-I188 HydrophobicContact CD2-CG2 3.83Å; L143-I188 HydrophobicContact CG-CG2 4.23Å; L143-M189 HydrophobicContact CD1-CE 4.01Å; L143-M189 HydrophobicContact CD1-CG 4.34Å; L143-M189 HydrophobicContact CD2-CE 3.82Å; L143-M189 HydrophobicContact CD2-CG 3.85Å; L143-M189 HydrophobicContact CG-CG 4.39Å
144	R	85.2	Confident	87.6	Confident	106 Å²	106	22.6 Å²	22.6	40%	0.4	12%	0.118	S	C	.	.	H	α-helix	trans	-58.9	-46.4	172.4	177.8	178.3	71.3	177.2	-1.3	111.7	E140 T141 A146 L147 G148 Y192	E140-R144 VanDerWaalsContact O-CB 3.3Å; E140-R144 WeakPolarHBondContact O-CB 3.45Å; E140-R144 PolarHBondContact O-N 3.44Å; T141-R144 PolarHBondContact O-N 3.49Å; R144-A146 VanDerWaalsContact C-N 3.32Å; R144-A146 PolarHBondContact O-N 3.28Å; R144-L147 PolarHBondContact O-N 3.22Å; R144-G148 PolarHBondContact O-N 3.14Å; R144-Y192 HydrophobicContact CB-CE2 4.15Å; R144-Y192 VanDerWaalsContact CD-CZ 3.44Å; R144-Y192 WeakPolarHBondContact CD-OH 3.36Å; R144-Y192 HydrophobicContact CG-CD1 4.31Å; R144-Y192 HydrophobicContact CG-CD2 4.5Å; R144-Y192 HydrophobicContact CG-CE1 3.71Å; R144-Y192 HydrophobicContact CG-CE2 3.94Å
145	Q	86	Confident	88.1	Confident	24 Å²	24	22.3 Å²	22.3	11%	0.112	11%	0.114	C	C	.	.	H	α-helix	trans	-59.8	-43.4	175.3	-73.4	174.7	-6.8	0	0	111.4	L119 T141 V142 L143 G148 E149 S484	L119-Q145 HydrophobicContact CD1-CB 3.81Å; T141-Q145 WeakPolarHBondContact O-CG 3.19Å; T141-Q145 PolarHBondContact O-N 3.11Å; V142-Q145 PolarHBondContact O-N 3.23Å; L143-Q145 PolarHBondContact O-N 3.31Å; Q145-G148 PolarHBondContact O-N 3.36Å; Q145-E149 WeakPolarHBondContact O-CG 3.5Å; Q145-E149 PolarHBondContact O-N 3.3Å; Q145-E149 VanDerWaalsContact O-N 3.15Å; Q145-S484 PolarHBondContact NE2-OG 3.07Å; Q145-S484 VanDerWaalsContact NE2-OG 3.09Å
146	A	90.8	Very high	88.7	Confident	0 Å²	0	21 Å²	21	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-62.7	-47	177.8	0	0	0	0	0	111.9	I25 L119 V142 L143 R144 G148 E149 R150 I151	I25-A146 HydrophobicContact CD1-CB 3.98Å; L119-A146 HydrophobicContact CD1-CB 4.08Å; L119-A146 HydrophobicContact CD2-CB 3.84Å; V142-A146 WeakPolarHBondContact O-CB 3.36Å; V142-A146 PolarHBondContact O-N 3.49Å; L143-A146 WeakPolarHBondContact O-CB 3.48Å; L143-A146 PolarHBondContact O-N 2.77Å; R144-A146 VanDerWaalsContact C-N 3.32Å; R144-A146 PolarHBondContact O-N 3.28Å; A146-G148 PolarHBondContact O-N 3.35Å; A146-E149 CarbonylContact O-C 3.59Å; A146-E149 PolarHBondContact O-N 3.14Å; A146-E149 VanDerWaalsContact O-N 3.17Å; A146-R150 PolarHBondContact O-N 3.36Å; A146-I151 HydrophobicContact CB-CB 4.16Å; A146-I151 HydrophobicContact CB-CG2 4.42Å; A146-I151 VanDerWaalsContact O-CB 3.24Å; A146-I151 WeakPolarHBondContact O-CB 3.4Å; A146-I151 PolarHBondContact O-N 3.39Å
147	L	90.3	Very high	89.4	Confident	6 Å²	6	20.8 Å²	20.8	3%	0.031	11%	0.105	C	C	.	.	H	α-helix	trans	-64.6	-40.5	179.3	-66.8	170.9	0	0	0	111.8	L143 R144 E149 R150 P153 M189 Y192 V200	L143-L147 HydrophobicContact CD1-CD1 4.32Å; L143-L147 HydrophobicContact CD1-CG 4.36Å; L143-L147 HydrophobicContact CG-CD1 4.09Å; L143-L147 WeakPolarHBondContact O-CB 3.15Å; L143-L147 VanDerWaalsContact O-CG 3.27Å; L143-L147 WeakPolarHBondContact O-CG 3.28Å; L143-L147 PolarHBondContact O-N 3.47Å; R144-L147 PolarHBondContact O-N 3.22Å; L147-E149 PolarHBondContact O-N 3.26Å; L147-R150 WeakPolarHBondContact O-CA 3.31Å; L147-R150 PolarHBondContact O-N 3.26Å; L147-P153 HydrophobicContact CD2-CG 4.38Å; L147-M189 HydrophobicContact CD1-CB 4.49Å; L147-M189 HydrophobicContact CD1-CG 4.41Å; L147-Y192 HydrophobicContact CD1-CD2 4.36Å; L147-V200 HydrophobicContact CD2-CB 4.23Å; L147-V200 HydrophobicContact CD2-CG1 4.42Å; L147-V200 HydrophobicContact CD2-CG2 4.05Å
148	G	85.3	Confident	90.4	Very high	52 Å²	52	20 Å²	20	54%	0.536	10%	0.101	S	C	.	.	H	α-helix	trans	-61.2	-30.3	173.9	0	0	0	0	0	113.6	R144 Q145 A146 R150 N353	R144-G148 PolarHBondContact O-N 3.14Å; Q145-G148 PolarHBondContact O-N 3.36Å; A146-G148 PolarHBondContact O-N 3.35Å; G148-R150 PolarHBondContact O-N 3.14Å; G148-N353 PolarHBondContact O-ND2 2.9Å
149	E	88.6	Confident	91.2	Very high	21 Å²	21	21.8 Å²	21.8	10%	0.098	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	7.1	173.1	-70.4	-68.5	161.3	0	0	113.7	L119 R120 Q145 A146 L147 I151 R350	L119-E149 HydrophobicContact CB-CG 4.46Å; R120-E149 IonicContact CZ-OE1 2.7Å; R120-E149 IonicContact CZ-OE2 3.15Å; R120-E149 VanDerWaalsContact NE-CD 3.32Å; R120-E149 IonicContact NE-OE1 2.82Å; R120-E149 PolarHBondContact NE-OE1 2.96Å; R120-E149 IonicContact NE-OE2 3.86Å; R120-E149 PolarHBondContact NE-OE2 2.89Å; R120-E149 IonicContact NH2-OE1 3.57Å; R120-E149 PolarHBondContact NH2-OE1 3.42Å; R120-E149 IonicContact NH2-OE2 3.8Å; R120-E149 PolarHBondContact NH2-OE2 2.93Å; Q145-E149 WeakPolarHBondContact O-CG 3.5Å; Q145-E149 PolarHBondContact O-N 3.3Å; Q145-E149 VanDerWaalsContact O-N 3.15Å; A146-E149 CarbonylContact O-C 3.59Å; A146-E149 PolarHBondContact O-N 3.14Å; A146-E149 VanDerWaalsContact O-N 3.17Å; L147-E149 PolarHBondContact O-N 3.26Å; E149-I151 VanDerWaalsContact C-N 3.33Å; E149-I151 HydrophobicContact CB-CD1 3.61Å; E149-I151 HydrophobicContact CB-CG1 3.88Å; E149-I151 PolarHBondContact O-N 2.99Å; E149-R350 PolarHBondContact O-NE 2.9Å; E149-R350 PolarHBondContact O-NH2 3.02Å
150	R	92.3	Very high	91.6	Very high	21 Å²	21	21.8 Å²	21.8	8%	0.079	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	45.6	-173.4	-70.7	177.2	-179.9	166.3	7	112.2	A146 L147 G148 D194 L196 L197 Y349 R350 E352 N353	A146-R150 PolarHBondContact O-N 3.36Å; L147-R150 WeakPolarHBondContact O-CA 3.31Å; L147-R150 PolarHBondContact O-N 3.26Å; G148-R150 PolarHBondContact O-N 3.14Å; R150-D194 WeakPolarHBondContact CG-OD2 3.29Å; R150-D194 IonicContact CZ-OD2 2.73Å; R150-D194 IonicContact NE-OD1 3.2Å; R150-D194 IonicContact NE-OD2 3.46Å; R150-D194 PolarHBondContact NE-OD2 2.99Å; R150-D194 IonicContact NH2-OD2 2.83Å; R150-D194 PolarHBondContact NH2-OD2 3.09Å; R150-L196 VanDerWaalsContact NH1-CD1 3.29Å; R150-L197 HydrophobicContact CB-CD1 4.04Å; R150-L197 HydrophobicContact CB-CD2 3.99Å; R150-L197 HydrophobicContact CB-CG 4.13Å; R150-L197 HydrophobicContact CG-CD1 4.04Å; R150-L197 HydrophobicContact CG-CG 4.16Å; R150-Y349 HydrophobicContact CB-CD2 4.13Å; R150-Y349 HydrophobicContact CB-CE2 4.08Å; R150-Y349 WeakPolarHBondContact CD-O 3.42Å; R150-Y349 PolarHBondContact NH1-O 3.41Å; R150-Y349 WeakPolarHBondContact O-CE2 3.25Å; R150-R350 HydrophobicContact CB-CG 4.03Å; R150-E352 IonicContact CZ-OE2 2.77Å; R150-E352 IonicContact NH1-OE2 3.91Å; R150-E352 PolarHBondContact NH1-OE2 3.23Å; R150-E352 IonicContact NH2-OE2 3.31Å; R150-E352 PolarHBondContact NH2-OE2 3.08Å; R150-E352 VanDerWaalsContact NH2-OE2 3.15Å; R150-N353 VanDerWaalsContact CD-ND2 3.34Å; R150-N353 WeakPolarHBondContact CD-ND2 3.28Å; R150-N353 WeakPolarHBondContact CG-ND2 3.49Å; R150-N353 VanDerWaalsContact CZ-OD1 3.22Å; R150-N353 PolarHBondContact NE-ND2 2.98Å; R150-N353 PolarHBondContact NH1-OD1 3.44Å
151	I	93.7	Very high	92.1	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.092	C	C	.	.	P	Polyproline II helix	trans	-98.3	131.2	179	-63	168.9	0	0	0	109.1	L119 A125 A146 E149 P153	L119-I151 HydrophobicContact CB-CD1 3.38Å; L119-I151 HydrophobicContact CD2-CD1 3.46Å; L119-I151 VanDerWaalsContact CD2-CD1 3.46Å; L119-I151 HydrophobicContact CG-CD1 3.93Å; L119-I151 WeakPolarHBondContact O-CD1 3.16Å; A125-I151 HydrophobicContact CB-CG2 3.8Å; A146-I151 HydrophobicContact CB-CB 4.16Å; A146-I151 HydrophobicContact CB-CG2 4.42Å; A146-I151 VanDerWaalsContact O-CB 3.24Å; A146-I151 WeakPolarHBondContact O-CB 3.4Å; A146-I151 PolarHBondContact O-N 3.39Å; E149-I151 VanDerWaalsContact C-N 3.33Å; E149-I151 HydrophobicContact CB-CD1 3.61Å; E149-I151 HydrophobicContact CB-CG1 3.88Å; E149-I151 PolarHBondContact O-N 2.99Å; I151-P153 WeakPolarHBondContact O-CD 3.23Å
152	R	95.6	Very high	92.6	Very high	84 Å²	84	20.1 Å²	20.1	32%	0.317	10%	0.097	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	122.6	-176.9	-165.9	172.3	-175.1	104.2	12.1	110.8	D123 G124 A125 D199 H339 L340 P341	D123-R152 PolarHBondContact O-N 2.97Å; G124-R152 CarbonylContact C-O 3.54Å; G124-R152 WeakPolarHBondContact CA-O 3.23Å; A125-R152 PolarHBondContact N-O 2.95Å; R152-D199 PolarHBondContact NH2-O 2.83Å; R152-H339 WeakPolarHBondContact CD-O 3.4Å; R152-L340 VanDerWaalsContact O-CD2 3.25Å; R152-L340 WeakPolarHBondContact O-CD2 3.46Å; R152-P341 HydrophobicContact CB-CG 4.34Å
153	P	96.9	Very high	92.8	Very high	5 Å²	5	20.2 Å²	20.2	3%	0.032	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	151.4	179.3	33.8	-34	0	0	0	112.4	A125 V127 L143 L147 I151 M189 V200	A125-P153 CarbonylContact O-C 3.47Å; A125-P153 WeakPolarHBondContact O-CA 3.39Å; V127-P153 HydrophobicContact CG2-CB 3.89Å; L143-P153 HydrophobicContact CD1-CB 4.03Å; L143-P153 HydrophobicContact CD1-CG 4.36Å; L147-P153 HydrophobicContact CD2-CG 4.38Å; I151-P153 WeakPolarHBondContact O-CD 3.23Å; P153-M189 HydrophobicContact CB-CE 3.98Å; P153-M189 HydrophobicContact CG-CE 3.93Å; P153-M189 HydrophobicContact CG-CG 4.44Å; P153-M189 HydrophobicContact CG-SD 3.86Å; P153-V200 HydrophobicContact CG-CB 4.46Å; P153-V200 WeakPolarHBondContact CG-O 3.48Å
154	V	97.9	Very high	92.9	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	151.5	156	-69.9	0	0	0	0	107.7	A125 L126 V127 M335 H339 L340	A125-V154 PolarHBondContact O-N 3.48Å; L126-V154 HydrophobicContact CB-CG2 4.42Å; L126-V154 HydrophobicContact CD1-CG2 3.87Å; V127-V154 PolarHBondContact N-O 2.79Å; V154-M335 HydrophobicContact CB-CE 4.04Å; V154-M335 HydrophobicContact CB-CG 4.39Å; V154-M335 HydrophobicContact CB-SD 4.18Å; V154-M335 HydrophobicContact CG1-CG 4.34Å; V154-M335 HydrophobicContact CG2-CE 3.87Å; V154-H339 HydrophobicContact CG1-CB 3.74Å; V154-L340 HydrophobicContact CB-CD2 4.43Å; V154-L340 HydrophobicContact CG1-CD2 3.75Å; V154-L340 HydrophobicContact CG1-CG 4.27Å; V154-L340 HydrophobicContact CG2-CD1 4.34Å; V154-L340 HydrophobicContact CG2-CD2 4.02Å; V154-L340 HydrophobicContact CG2-CG 4.29Å
155	L	98.2	Very high	93.1	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	141.4	-173.2	178.1	68.8	0	0	0	110.7	V127 V129 V157 I182 A185 V202 T208 V209 A210	V127-L155 HydrophobicContact CB-CD1 3.95Å; V127-L155 HydrophobicContact CG1-CD1 3.99Å; V129-L155 HydrophobicContact CB-CD1 4.14Å; V129-L155 HydrophobicContact CG2-CD1 3.52Å; L155-V157 HydrophobicContact CD2-CG2 4.42Å; L155-I182 HydrophobicContact CD2-CB 4.41Å; L155-I182 HydrophobicContact CD2-CG1 3.87Å; L155-A185 HydrophobicContact CD2-CB 4.25Å; L155-V202 HydrophobicContact CB-CB 4.22Å; L155-V202 HydrophobicContact CB-CG1 4.15Å; L155-V202 HydrophobicContact CB-CG2 3.82Å; L155-V202 HydrophobicContact CD2-CG2 3.82Å; L155-V202 HydrophobicContact CG-CG2 4.47Å; L155-T208 PolarHBondContact N-O 3.2Å; L155-T208 VanDerWaalsContact N-O 3.09Å; L155-V209 HydrophobicContact CB-CG2 4.36Å; L155-V209 HydrophobicContact CD2-CG1 4.39Å; L155-V209 HydrophobicContact CD2-CG2 4.49Å; L155-V209 CarbonylContact O-C 3.58Å; L155-V209 VanDerWaalsContact O-CA 3.29Å; L155-V209 WeakPolarHBondContact O-CA 3.48Å; L155-A210 PolarHBondContact O-N 3.04Å
156	T	97.9	Very high	93.2	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	121.7	163.9	-168.5	0	0	0	0	110.4	L35 L126 V127 V128 V129 N158 A210 S212	L35-T156 HydrophobicContact CD2-CG2 3.55Å; L126-T156 HydrophobicContact CD1-CG2 3.81Å; L126-T156 HydrophobicContact CD2-CG2 4.28Å; L126-T156 HydrophobicContact CG-CG2 4.09Å; V127-T156 PolarHBondContact O-N 3.03Å; V128-T156 HydrophobicContact CB-CG2 4.06Å; V128-T156 HydrophobicContact CG1-CG2 4.01Å; V128-T156 HydrophobicContact CG2-CG2 3.75Å; V129-T156 PolarHBondContact N-O 2.97Å; T156-N158 PolarHBondContact O-N 3.26Å; T156-A210 CarbonylContact C-O 3.59Å; T156-A210 VanDerWaalsContact CA-O 3.31Å; T156-A210 WeakPolarHBondContact CA-O 3.41Å; T156-S212 WeakPolarHBondContact OG1-CB 3.28Å; T156-S212 PolarHBondContact OG1-OG 3.31Å
157	V	98	Very high	92.9	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	106.8	171.5	178.2	0	0	0	0	106.6	V129 C131 L155 F178 V181 I182 V209 A210 F211 S212	V129-V157 CarbonylContact O-C 3.59Å; V129-V157 WeakPolarHBondContact O-CA 3.23Å; C131-V157 HydrophobicContact CB-CG1 3.37Å; L155-V157 HydrophobicContact CD2-CG2 4.42Å; V157-F178 HydrophobicContact CG1-CD1 3.91Å; V157-F178 HydrophobicContact CG1-CE1 4.4Å; V157-F178 HydrophobicContact CG1-CG 4.38Å; V157-V181 HydrophobicContact CG2-CG1 4.23Å; V157-I182 HydrophobicContact CG2-CG1 4.25Å; V157-V209 HydrophobicContact CG2-CG1 4.23Å; V157-A210 PolarHBondContact N-O 2.96Å; V157-F211 HydrophobicContact CB-CD1 4.03Å; V157-F211 HydrophobicContact CB-CE1 4.28Å; V157-F211 HydrophobicContact CG1-CD1 4.41Å; V157-F211 HydrophobicContact CG2-CE1 4.29Å; V157-S212 PolarHBondContact O-N 3.04Å; V157-S212 PolarHBondContact O-OG 3.47Å
158	N	96.4	Very high	92.7	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.011	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	171.1	-169.9	-164.6	24.7	0	0	0	112.4	H30 G31 V128 V129 C131 T156 M160 S212 G214	H30-N158 PolarHBondContact O-ND2 3.08Å; G31-N158 PolarHBondContact O-ND2 3.26Å; V128-N158 HydrophobicContact CG1-CB 3.7Å; V129-N158 PolarHBondContact O-N 3.12Å; C131-N158 WeakPolarHBondContact CB-O 3.49Å; C131-N158 PolarHBondContact N-O 3.32Å; C131-N158 PolarHBondContact SG-O 3.49Å; T156-N158 PolarHBondContact O-N 3.26Å; N158-M160 VanDerWaalsContact C-N 3.26Å; N158-M160 PolarHBondContact O-N 2.96Å; N158-S212 CarbonylContact C-O 3.24Å; N158-S212 VanDerWaalsContact CA-O 3.31Å; N158-S212 WeakPolarHBondContact CA-O 3.31Å; N158-S212 VanDerWaalsContact CA-OG 3.31Å; N158-S212 WeakPolarHBondContact CA-OG 3.37Å; N158-S212 PolarHBondContact OD1-O 3.46Å; N158-S212 PolarHBondContact OD1-OG 2.85Å; N158-G214 PolarHBondContact OD1-N 3.23Å
159	K	95.1	Very high	92.9	Very high	37 Å²	37	31.6 Å²	31.6	16%	0.161	15%	0.146	C	C	.	.			trans	59.8	31.1	-177.3	-50.3	-155.7	-151.9	149.3	0	114.4	D29 D130 C131 E133 D161 R162 S212	D29-K159 WeakPolarHBondContact O-CE 3.49Å; D29-K159 PolarHBondContact O-NZ 2.88Å; D130-K159 WeakPolarHBondContact OD2-CD 3.48Å; D130-K159 WeakPolarHBondContact OD2-CE 3.21Å; D130-K159 IonicContact OD2-NZ 3.45Å; D130-K159 PolarHBondContact OD2-NZ 3.23Å; C131-K159 PolarHBondContact SG-O 2.78Å; E133-K159 IonicContact OE1-NZ 2.91Å; K159-D161 WeakPolarHBondContact CA-OD1 3.18Å; K159-D161 PolarHBondContact O-N 3.35Å; K159-D161 VanDerWaalsContact O-N 3.1Å; K159-R162 HydrophobicContact CB-CG 4.09Å; K159-R162 WeakPolarHBondContact O-CB 3.39Å; K159-R162 WeakPolarHBondContact O-CG 3.43Å; K159-R162 PolarHBondContact O-N 2.93Å; K159-S212 PolarHBondContact N-O 3.17Å; K159-S212 VanDerWaalsContact N-O 3.13Å
160	M	95.1	Very high	93	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-21.3	176.2	-74.5	-174	65.3	0	0	113.7	N158 R162 C163 F164 F178 F211 S212 W218 F220	N158-M160 VanDerWaalsContact C-N 3.26Å; N158-M160 PolarHBondContact O-N 2.96Å; M160-R162 PolarHBondContact O-N 3.47Å; M160-C163 WeakPolarHBondContact O-CB 3.33Å; M160-C163 PolarHBondContact O-N 3.27Å; M160-C163 VanDerWaalsContact O-N 3.08Å; M160-F164 HydrophobicContact CB-CE2 4.31Å; M160-F164 HydrophobicContact CE-CE2 4.41Å; M160-F164 HydrophobicContact CE-CZ 4.4Å; M160-F164 WeakPolarHBondContact O-CD2 3.35Å; M160-F164 VanDerWaalsContact O-CE2 3.27Å; M160-F164 WeakPolarHBondContact O-CE2 3.32Å; M160-F178 HydrophobicContact CE-CE2 3.68Å; M160-F178 HydrophobicContact CE-CZ 3.78Å; M160-F178 HydrophobicContact CG-CZ 4.21Å; M160-F178 HydrophobicContact SD-CZ 4.45Å; M160-F211 HydrophobicContact CE-CB 4.34Å; M160-F211 HydrophobicContact SD-CB 3.4Å; M160-F211 WeakPolarHBondContact SD-CB 3.37Å; M160-F211 HydrophobicContact SD-CD1 3.86Å; M160-F211 HydrophobicContact SD-CG 4.07Å; M160-S212 WeakPolarHBondContact CB-O 3.29Å; M160-S212 WeakPolarHBondContact CG-O 3.1Å; M160-S212 PolarHBondContact N-O 3.19Å; M160-W218 HydrophobicContact CB-CH2 4.03Å; M160-W218 HydrophobicContact CB-CZ2 4.47Å; M160-W218 HydrophobicContact CE-CH2 4.42Å; M160-W218 HydrophobicContact SD-CH2 4.47Å; M160-F220 HydrophobicContact CE-CE1 4.08Å; M160-F220 HydrophobicContact CE-CZ 4.31Å; M160-F220 HydrophobicContact SD-CE1 4.29Å
161	D	93.2	Very high	93	Very high	11 Å²	11	33.8 Å²	33.8	6%	0.059	16%	0.162	C	C	.	.	H	α-helix	trans	-55.1	-33.1	171.9	55.3	-73.1	0	0	0	112.6	K159 C163 F164 L165 A213 H216	K159-D161 WeakPolarHBondContact CA-OD1 3.18Å; K159-D161 PolarHBondContact O-N 3.35Å; K159-D161 VanDerWaalsContact O-N 3.1Å; D161-C163 VanDerWaalsContact C-N 3.3Å; D161-C163 PolarHBondContact O-N 3.19Å; D161-F164 PolarHBondContact O-N 3.37Å; D161-L165 HydrophobicContact CB-CD1 4.16Å; D161-L165 WeakPolarHBondContact O-CB 3.12Å; D161-L165 WeakPolarHBondContact O-CG 3.25Å; D161-L165 PolarHBondContact O-N 2.85Å; D161-A213 HydrophobicContact CB-CB 3.94Å; D161-A213 WeakPolarHBondContact OD1-CB 3.37Å; D161-H216 VanDerWaalsContact CB-CD2 3.44Å; D161-H216 WeakPolarHBondContact CB-CD2 3.43Å; D161-H216 IonicContact OD2-NE2 2.74Å
162	R	91.8	Very high	93	Very high	53 Å²	53	36.8 Å²	36.8	20%	0.2	18%	0.176	C	C	.	.	H	α-helix	trans	-62.7	-35.7	176.4	-58.4	-177.7	66.8	-170.4	2.1	112.4	D130 I132 E133 K159 M160 F164 E166 L167	D130-R162 IonicContact OD1-NH1 3.34Å; D130-R162 IonicContact OD2-NH1 3.45Å; D130-R162 PolarHBondContact OD2-NH1 3.03Å; D130-R162 VanDerWaalsContact OD2-NH1 3.15Å; I132-R162 HydrophobicContact CG1-CB 4.28Å; E133-R162 IonicContact OE1-NH1 2.78Å; K159-R162 HydrophobicContact CB-CG 4.09Å; K159-R162 WeakPolarHBondContact O-CB 3.39Å; K159-R162 WeakPolarHBondContact O-CG 3.43Å; K159-R162 PolarHBondContact O-N 2.93Å; M160-R162 PolarHBondContact O-N 3.47Å; R162-F164 PolarHBondContact O-N 3.03Å; R162-E166 HydrophobicContact CB-CB 4.48Å; R162-E166 HydrophobicContact CB-CG 4.43Å; R162-E166 IonicContact CZ-OE2 3.77Å; R162-E166 IonicContact NE-OE1 3.44Å; R162-E166 IonicContact NE-OE2 3.21Å; R162-E166 PolarHBondContact NE-OE2 3.24Å; R162-E166 IonicContact NH2-OE2 3.02Å; R162-E166 PolarHBondContact NH2-OE2 2.9Å; R162-E166 WeakPolarHBondContact O-CB 3.26Å; R162-E166 PolarHBondContact O-N 3.22Å; R162-L167 PolarHBondContact O-N 3.39Å
163	C	91.6	Very high	92.8	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.014	18%	0.18	C	C	.	.	H	α-helix	trans	-61.2	-30.9	175.1	-60.4	0	0	0	0	112.2	M160 D161 Q168 V169 Y276	M160-C163 WeakPolarHBondContact O-CB 3.33Å; M160-C163 PolarHBondContact O-N 3.27Å; M160-C163 VanDerWaalsContact O-N 3.08Å; D161-C163 VanDerWaalsContact C-N 3.3Å; D161-C163 PolarHBondContact O-N 3.19Å; C163-Q168 CarbonylContact O-C 3.58Å; C163-Q168 WeakPolarHBondContact O-CA 3.2Å; C163-Q168 PolarHBondContact O-N 3.48Å; C163-Q168 VanDerWaalsContact O-N 3.08Å; C163-V169 HydrophobicContact CB-CG2 4.3Å; C163-V169 PolarHBondContact O-N 2.86Å; C163-Y276 HydrophobicContact CB-CE2 4.44Å
164	F	92.2	Very high	92.6	Very high	15 Å²	15	36.7 Å²	36.7	7%	0.066	18%	0.179	C	C	.	.	H	α-helix	trans	-96.9	-38.6	-176.6	-53.1	-72	0	0	0	113.2	M160 D161 R162 W218 Y276 I279 K280 I283	M160-F164 HydrophobicContact CB-CE2 4.31Å; M160-F164 HydrophobicContact CE-CE2 4.41Å; M160-F164 HydrophobicContact CE-CZ 4.4Å; M160-F164 WeakPolarHBondContact O-CD2 3.35Å; M160-F164 VanDerWaalsContact O-CE2 3.27Å; M160-F164 WeakPolarHBondContact O-CE2 3.32Å; D161-F164 PolarHBondContact O-N 3.37Å; R162-F164 PolarHBondContact O-N 3.03Å; F164-W218 HydrophobicContact CE2-CH2 4.05Å; F164-W218 HydrophobicContact CE2-CZ2 4.2Å; F164-Y276 HydrophobicContact CD1-CE1 4.49Å; F164-Y276 HydrophobicContact CD1-CE2 4.36Å; F164-Y276 HydrophobicContact CE1-CD1 4.25Å; F164-Y276 AromaticContact CE1-CD2 3.89Å; F164-Y276 HydrophobicContact CE1-CD2 3.89Å; F164-Y276 AromaticContact CE1-CE1 3.82Å; F164-Y276 HydrophobicContact CE1-CE1 3.82Å; F164-Y276 AromaticContact CE1-CE2 3.4Å; F164-Y276 HydrophobicContact CE1-CE2 3.4Å; F164-Y276 VanDerWaalsContact CE1-CE2 3.4Å; F164-Y276 HydrophobicContact CE1-CG 4.28Å; F164-Y276 AromaticContact CE1-CZ 3.36Å; F164-Y276 AromaticContact CZ-CD2 3.8Å; F164-Y276 HydrophobicContact CZ-CD2 3.8Å; F164-Y276 AromaticContact CZ-CE2 3.49Å; F164-Y276 HydrophobicContact CZ-CE2 3.49Å; F164-Y276 VanDerWaalsContact CZ-CE2 3.49Å; F164-Y276 AromaticContact CZ-CZ 3.97Å; F164-I279 HydrophobicContact CD2-CG2 4.5Å; F164-I279 HydrophobicContact CE1-CG2 4.12Å; F164-I279 HydrophobicContact CE2-CG2 3.8Å; F164-I279 HydrophobicContact CZ-CB 4.25Å; F164-I279 HydrophobicContact CZ-CG2 3.58Å; F164-K280 HydrophobicContact CD1-CB 3.93Å; F164-K280 HydrophobicContact CD1-CG 4.13Å; F164-K280 HydrophobicContact CE1-CB 3.88Å; F164-I283 HydrophobicContact CB-CD1 4.07Å; F164-I283 HydrophobicContact CB-CG2 4.21Å; F164-I283 HydrophobicContact CD1-CD1 4.42Å; F164-I283 HydrophobicContact CD2-CD1 3.58Å; F164-I283 HydrophobicContact CE2-CD1 4.11Å; F164-I283 HydrophobicContact CG-CD1 3.77Å
165	L	89	Confident	92.5	Very high	45 Å²	45	37.1 Å²	37.1	24%	0.236	18%	0.18	C	C	.	.	H	α-helix	trans	-98.8	-29.5	-169.2	-57.6	179.3	0	0	0	113.4	D161 H216 I283 M287 M318	D161-L165 HydrophobicContact CB-CD1 4.16Å; D161-L165 WeakPolarHBondContact O-CB 3.12Å; D161-L165 WeakPolarHBondContact O-CG 3.25Å; D161-L165 PolarHBondContact O-N 2.85Å; L165-H216 WeakPolarHBondContact CD1-NE2 3.49Å; L165-I283 HydrophobicContact CD2-CG2 3.73Å; L165-M287 HydrophobicContact CD2-CG 4.16Å; L165-M287 HydrophobicContact CD2-SD 4.41Å; L165-M318 HydrophobicContact CD1-CE 3.72Å; L165-M318 HydrophobicContact CD2-CE 3.66Å; L165-M318 HydrophobicContact CG-CE 4.29Å
166	E	87.8	Confident	92.3	Very high	117 Å²	117	41 Å²	41	55%	0.547	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	-61.4	-176.4	-61.9	176.9	-170.5	0	0	110.7	R162	R162-E166 HydrophobicContact CB-CB 4.48Å; R162-E166 HydrophobicContact CB-CG 4.43Å; R162-E166 IonicContact CZ-OE2 3.77Å; R162-E166 IonicContact NE-OE1 3.44Å; R162-E166 IonicContact NE-OE2 3.21Å; R162-E166 PolarHBondContact NE-OE2 3.24Å; R162-E166 IonicContact NH2-OE2 3.02Å; R162-E166 PolarHBondContact NH2-OE2 2.9Å; R162-E166 WeakPolarHBondContact O-CB 3.26Å; R162-E166 PolarHBondContact O-N 3.22Å
167	L	85.3	Confident	92	Very high	95 Å²	95	42.6 Å²	42.6	50%	0.497	21%	0.208	S	C	.	.	S	Bend	trans	-89.6	-19.9	-171.7	-63.8	174.8	0	0	0	113.3	I132 R162 V169	I132-L167 HydrophobicContact CD1-CD1 3.51Å; I132-L167 HydrophobicContact CG1-CD1 3.97Å; I132-L167 HydrophobicContact CG2-CD1 4.19Å; R162-L167 PolarHBondContact O-N 3.39Å; L167-V169 HydrophobicContact CB-CG2 3.45Å; L167-V169 VanDerWaalsContact CB-CG2 3.45Å; L167-V169 HydrophobicContact CD1-CG2 4.23Å; L167-V169 PolarHBondContact O-N 2.87Å; L167-V169 VanDerWaalsContact O-N 3.15Å
168	Q	85.9	Confident	91.9	Very high	141 Å²	141	42.6 Å²	42.6	66%	0.659	21%	0.208	S	C	*	.			trans	51.4	34	-178.1	-58.6	-171.7	-3.9	0	0	114.5	C163 K280	C163-Q168 CarbonylContact O-C 3.58Å; C163-Q168 WeakPolarHBondContact O-CA 3.2Å; C163-Q168 PolarHBondContact O-N 3.48Å; C163-Q168 VanDerWaalsContact O-N 3.08Å; Q168-K280 PolarHBondContact O-NZ 2.84Å
169	V	88.7	Confident	91.9	Very high	14 Å²	14	42.9 Å²	42.9	9%	0.085	21%	0.211	C	C	.	.			trans	-52.9	144.5	-173.5	-165.9	0	0	0	0	110.9	C163 L167 E173 A174 Y276 K280	C163-V169 HydrophobicContact CB-CG2 4.3Å; C163-V169 PolarHBondContact O-N 2.86Å; L167-V169 HydrophobicContact CB-CG2 3.45Å; L167-V169 VanDerWaalsContact CB-CG2 3.45Å; L167-V169 HydrophobicContact CD1-CG2 4.23Å; L167-V169 PolarHBondContact O-N 2.87Å; L167-V169 VanDerWaalsContact O-N 3.15Å; V169-E173 HydrophobicContact CG1-CB 3.67Å; V169-E173 HydrophobicContact CG1-CG 3.58Å; V169-E173 WeakPolarHBondContact CG1-OE2 3.36Å; V169-A174 HydrophobicContact CB-CB 4.46Å; V169-A174 HydrophobicContact CG1-CB 4.08Å; V169-Y276 PolarHBondContact O-OH 2.78Å; V169-K280 PolarHBondContact O-NZ 3.1Å
170	D	91.2	Very high	91.7	Very high	81 Å²	81	45.5 Å²	45.5	43%	0.433	22%	0.219	S	C	.	.			trans	-72	161.5	168.9	78.4	-110	0	0	0	111.1	E172 E173 A174	D170-E172 VanDerWaalsContact C-N 3.35Å; D170-E172 PolarHBondContact O-N 2.93Å; D170-E172 WeakPolarHBondContact OD2-CA 3.37Å; D170-E172 PolarHBondContact OD2-N 3.34Å; D170-E173 WeakPolarHBondContact OD1-CB 3.24Å; D170-E173 PolarHBondContact OD2-N 3.27Å; D170-A174 VanDerWaalsContact O-CB 3.3Å; D170-A174 WeakPolarHBondContact O-CB 3.22Å; D170-A174 PolarHBondContact O-N 2.78Å
171	G	92.2	Very high	91.7	Very high	8 Å²	8	45.9 Å²	45.9	8%	0.082	22%	0.222	C	C	.	.	H	α-helix	trans	-68.1	-33	-173.2	0	0	0	0	0	114.1	Y175 V272 Y276	G171-Y175 WeakPolarHBondContact O-CB 3.37Å; G171-Y175 PolarHBondContact O-N 2.95Å; G171-V272 VanDerWaalsContact C-CG2 3.46Å; G171-V272 WeakPolarHBondContact O-CG2 3.29Å; G171-Y276 VanDerWaalsContact CA-CD1 3.46Å
172	E	93.2	Very high	91.9	Very high	62 Å²	62	45.7 Å²	45.7	29%	0.29	22%	0.221	S	C	.	.	H	α-helix	trans	-74.2	-44.2	-179.6	-174.9	61.2	-154.9	0	0	110	D170 A174 Y175 Q176 R269	D170-E172 VanDerWaalsContact C-N 3.35Å; D170-E172 PolarHBondContact O-N 2.93Å; D170-E172 WeakPolarHBondContact OD2-CA 3.37Å; D170-E172 PolarHBondContact OD2-N 3.34Å; E172-A174 VanDerWaalsContact C-N 3.33Å; E172-A174 PolarHBondContact O-N 2.83Å; E172-Y175 WeakPolarHBondContact O-CB 3.32Å; E172-Y175 PolarHBondContact O-N 2.77Å; E172-Q176 VanDerWaalsContact O-CG 3.31Å; E172-Q176 WeakPolarHBondContact O-CG 3.15Å; E172-Q176 PolarHBondContact O-N 2.93Å; E172-Q176 PolarHBondContact OE1-NE2 2.93Å; E172-R269 IonicContact OE1-CZ 3.71Å; E172-R269 IonicContact OE1-NE 3.79Å; E172-R269 PolarHBondContact OE1-NE 3.02Å; E172-R269 VanDerWaalsContact OE1-NE 3.16Å; E172-R269 IonicContact OE1-NH2 3.38Å; E172-R269 PolarHBondContact OE1-NH2 3.23Å; E172-R269 IonicContact OE2-CZ 2.81Å; E172-R269 IonicContact OE2-NE 3.37Å; E172-R269 PolarHBondContact OE2-NE 3.21Å; E172-R269 IonicContact OE2-NH2 3.86Å
173	E	91.9	Very high	92	Very high	86 Å²	86	48.9 Å²	48.9	40%	0.402	24%	0.238	S	C	.	.	H	α-helix	trans	-60.3	-41.8	174	-178.3	179.1	-160.2	0	0	112.1	V169 D170 Q176 T177	V169-E173 HydrophobicContact CG1-CB 3.67Å; V169-E173 HydrophobicContact CG1-CG 3.58Å; V169-E173 WeakPolarHBondContact CG1-OE2 3.36Å; D170-E173 WeakPolarHBondContact OD1-CB 3.24Å; D170-E173 PolarHBondContact OD2-N 3.27Å; E173-Q176 PolarHBondContact O-N 2.92Å; E173-T177 WeakPolarHBondContact O-CB 3.49Å; E173-T177 PolarHBondContact O-N 3.09Å; E173-T177 PolarHBondContact O-OG1 2.86Å
174	A	93.2	Very high	92	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.008	26%	0.256	C	S	.	.	H	α-helix	trans	-61.8	-44.3	174.1	0	0	0	0	0	111.7	V169 D170 E172 Q176 T177 F178 Y276	V169-A174 HydrophobicContact CB-CB 4.46Å; V169-A174 HydrophobicContact CG1-CB 4.08Å; D170-A174 VanDerWaalsContact O-CB 3.3Å; D170-A174 WeakPolarHBondContact O-CB 3.22Å; D170-A174 PolarHBondContact O-N 2.78Å; E172-A174 VanDerWaalsContact C-N 3.33Å; E172-A174 PolarHBondContact O-N 2.83Å; A174-Q176 PolarHBondContact O-N 3.25Å; A174-T177 PolarHBondContact O-N 3.08Å; A174-F178 HydrophobicContact CB-CE2 4.13Å; A174-F178 HydrophobicContact CB-CZ 3.99Å; A174-F178 VanDerWaalsContact O-CD1 3.3Å; A174-F178 WeakPolarHBondContact O-CD1 3.4Å; A174-F178 WeakPolarHBondContact O-CD2 3.31Å; A174-F178 WeakPolarHBondContact O-CG 3.47Å; A174-F178 PolarHBondContact O-N 2.83Å; A174-Y276 HydrophobicContact CB-CD2 4.05Å; A174-Y276 HydrophobicContact CB-CE1 4.44Å; A174-Y276 HydrophobicContact CB-CE2 3.41Å; A174-Y276 VanDerWaalsContact CB-CE2 3.41Å
175	Y	95.5	Very high	92.1	Very high	10 Å²	10	51.7 Å²	51.7	4%	0.039	25%	0.253	C	S	.	.	H	α-helix	trans	-60.6	-45	176.3	171.8	-89.3	0	0	0	112.4	G171 E172 T177 F178 S179 W245 G246 R269 F271	G171-Y175 WeakPolarHBondContact O-CB 3.37Å; G171-Y175 PolarHBondContact O-N 2.95Å; E172-Y175 WeakPolarHBondContact O-CB 3.32Å; E172-Y175 PolarHBondContact O-N 2.77Å; Y175-T177 VanDerWaalsContact C-N 3.31Å; Y175-T177 PolarHBondContact O-N 3.01Å; Y175-F178 PolarHBondContact O-N 3.26Å; Y175-S179 VanDerWaalsContact CE1-OG 3.28Å; Y175-S179 WeakPolarHBondContact CE1-OG 3.46Å; Y175-S179 VanDerWaalsContact CZ-OG 3.28Å; Y175-S179 WeakPolarHBondContact O-CB 3.14Å; Y175-S179 PolarHBondContact O-N 3.43Å; Y175-S179 PolarHBondContact O-OG 3.08Å; Y175-W245 HydrophobicContact CD2-CE3 4.22Å; Y175-W245 AromaticContact CD2-CH2 3.94Å; Y175-W245 HydrophobicContact CD2-CH2 3.94Å; Y175-W245 AromaticContact CD2-CZ3 3.78Å; Y175-W245 HydrophobicContact CD2-CZ3 3.78Å; Y175-W245 AromaticContact CE2-CD2 3.82Å; Y175-W245 HydrophobicContact CE2-CD2 3.82Å; Y175-W245 AromaticContact CE2-CE2 3.92Å; Y175-W245 AromaticContact CE2-CE3 3.65Å; Y175-W245 HydrophobicContact CE2-CE3 3.65Å; Y175-W245 AromaticContact CE2-CH2 3.72Å; Y175-W245 HydrophobicContact CE2-CH2 3.72Å; Y175-W245 AromaticContact CE2-CZ2 3.88Å; Y175-W245 HydrophobicContact CE2-CZ2 3.88Å; Y175-W245 AromaticContact CE2-CZ3 3.6Å; Y175-W245 HydrophobicContact CE2-CZ3 3.6Å; Y175-G246 WeakPolarHBondContact OH-CA 3.28Å; Y175-G246 PolarHBondContact OH-N 3.03Å; Y175-R269 VanDerWaalsContact CD1-NE 3.29Å; Y175-R269 VanDerWaalsContact CD2-CD 3.5Å; Y175-R269 VanDerWaalsContact CE1-CD 3.41Å; Y175-R269 VanDerWaalsContact CE1-NE 3.34Å; Y175-R269 VanDerWaalsContact CE2-CD 3.49Å; Y175-R269 VanDerWaalsContact CG-CD 3.43Å; Y175-R269 VanDerWaalsContact CZ-CD 3.48Å; Y175-F271 HydrophobicContact CD2-CB 3.78Å; Y175-F271 AromaticContact CD2-CD1 3.77Å; Y175-F271 HydrophobicContact CD2-CD1 3.77Å; Y175-F271 AromaticContact CD2-CG 3.93Å; Y175-F271 HydrophobicContact CD2-CG 3.93Å; Y175-F271 HydrophobicContact CE2-CB 4.15Å; Y175-F271 HydrophobicContact CG-CD1 4.47Å
176	Q	93.8	Very high	92.4	Very high	80 Å²	80	50.3 Å²	50.3	37%	0.374	25%	0.246	S	C	.	.	H	α-helix	trans	-62.8	-41.1	178.5	-67.4	-59.2	-30.6	0	0	111.1	E172 E173 A174 S179 R180	E172-Q176 VanDerWaalsContact O-CG 3.31Å; E172-Q176 WeakPolarHBondContact O-CG 3.15Å; E172-Q176 PolarHBondContact O-N 2.93Å; E172-Q176 PolarHBondContact OE1-NE2 2.93Å; E173-Q176 PolarHBondContact O-N 2.92Å; A174-Q176 PolarHBondContact O-N 3.25Å; Q176-S179 PolarHBondContact O-N 2.85Å; Q176-R180 WeakPolarHBondContact O-CB 3.27Å; Q176-R180 PolarHBondContact O-N 3.48Å
177	T	91.5	Very high	92.5	Very high	34 Å²	34	49.2 Å²	49.2	21%	0.209	25%	0.247	C	C	.	.	H	α-helix	trans	-60.5	-50.2	174.6	-59.1	0	0	0	0	111.1	C131 E173 A174 Y175 S179 R180 V181	C131-T177 WeakPolarHBondContact O-CG2 3.5Å; E173-T177 WeakPolarHBondContact O-CB 3.49Å; E173-T177 PolarHBondContact O-N 3.09Å; E173-T177 PolarHBondContact O-OG1 2.86Å; A174-T177 PolarHBondContact O-N 3.08Å; Y175-T177 VanDerWaalsContact C-N 3.31Å; Y175-T177 PolarHBondContact O-N 3.01Å; T177-S179 PolarHBondContact O-N 2.87Å; T177-R180 PolarHBondContact O-N 2.81Å; T177-V181 WeakPolarHBondContact O-CG2 3.04Å; T177-V181 PolarHBondContact O-N 2.81Å
178	F	96	Very high	92.5	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-63.5	-41.3	-180	-57.9	-18.3	0	0	0	112.5	C131 V157 M160 A174 Y175 R180 V181 I182 F211 W245 F271 Y276	C131-F178 HydrophobicContact CB-CD1 3.91Å; C131-F178 HydrophobicContact CB-CE1 3.6Å; V157-F178 HydrophobicContact CG1-CD1 3.91Å; V157-F178 HydrophobicContact CG1-CE1 4.4Å; V157-F178 HydrophobicContact CG1-CG 4.38Å; M160-F178 HydrophobicContact CE-CE2 3.68Å; M160-F178 HydrophobicContact CE-CZ 3.78Å; M160-F178 HydrophobicContact CG-CZ 4.21Å; M160-F178 HydrophobicContact SD-CZ 4.45Å; A174-F178 HydrophobicContact CB-CE2 4.13Å; A174-F178 HydrophobicContact CB-CZ 3.99Å; A174-F178 VanDerWaalsContact O-CD1 3.3Å; A174-F178 WeakPolarHBondContact O-CD1 3.4Å; A174-F178 WeakPolarHBondContact O-CD2 3.31Å; A174-F178 WeakPolarHBondContact O-CG 3.47Å; A174-F178 PolarHBondContact O-N 2.83Å; Y175-F178 PolarHBondContact O-N 3.26Å; F178-R180 VanDerWaalsContact C-N 3.31Å; F178-R180 PolarHBondContact O-N 2.99Å; F178-V181 PolarHBondContact O-N 3.47Å; F178-I182 WeakPolarHBondContact O-CD1 3.49Å; F178-I182 VanDerWaalsContact O-CG1 3.29Å; F178-I182 WeakPolarHBondContact O-CG1 3.33Å; F178-I182 PolarHBondContact O-N 3.32Å; F178-F211 HydrophobicContact CB-CE1 3.99Å; F178-F211 HydrophobicContact CD2-CD1 4.18Å; F178-F211 AromaticContact CD2-CE1 3.84Å; F178-F211 HydrophobicContact CD2-CE1 3.84Å; F178-F211 HydrophobicContact CG-CE1 4.07Å; F178-W245 HydrophobicContact CB-CH2 4.19Å; F178-F271 AromaticContact CD2-CE1 3.8Å; F178-F271 HydrophobicContact CD2-CE1 3.8Å; F178-F271 AromaticContact CD2-CZ 3.89Å; F178-F271 HydrophobicContact CD2-CZ 3.89Å; F178-F271 AromaticContact CE2-CE1 3.88Å; F178-F271 HydrophobicContact CE2-CE1 3.88Å; F178-F271 HydrophobicContact CE2-CZ 4.01Å; F178-Y276 HydrophobicContact CE2-CD2 4.3Å; F178-Y276 HydrophobicContact CE2-CE2 4.42Å; F178-Y276 HydrophobicContact CZ-CE2 4.4Å
179	S	95.7	Very high	92.7	Very high	9 Å²	9	38.7 Å²	38.7	6%	0.063	20%	0.196	C	C	.	.	H	α-helix	trans	-58.8	-45.4	176.9	-58.7	0	0	0	0	110.7	Y175 Q176 T177 V181 I182 E183 W245	Y175-S179 VanDerWaalsContact CE1-OG 3.28Å; Y175-S179 WeakPolarHBondContact CE1-OG 3.46Å; Y175-S179 VanDerWaalsContact CZ-OG 3.28Å; Y175-S179 WeakPolarHBondContact O-CB 3.14Å; Y175-S179 PolarHBondContact O-N 3.43Å; Y175-S179 PolarHBondContact O-OG 3.08Å; Q176-S179 PolarHBondContact O-N 2.85Å; T177-S179 PolarHBondContact O-N 2.87Å; S179-V181 PolarHBondContact O-N 3.43Å; S179-I182 PolarHBondContact O-N 3.49Å; S179-E183 WeakPolarHBondContact O-CB 3.48Å; S179-E183 VanDerWaalsContact O-CG 3.3Å; S179-E183 WeakPolarHBondContact O-CG 3.44Å; S179-E183 PolarHBondContact O-N 2.98Å; S179-W245 WeakPolarHBondContact OG-CZ2 3.41Å
180	R	92.1	Very high	92.7	Very high	91 Å²	91	39.7 Å²	39.7	34%	0.343	21%	0.206	S	C	.	.	H	α-helix	trans	-63.2	-40.2	176.8	-167.4	-176	-55.1	162.7	7.5	113	Q176 T177 F178 I182 E183 N184 P762	Q176-R180 WeakPolarHBondContact O-CB 3.27Å; Q176-R180 PolarHBondContact O-N 3.48Å; T177-R180 PolarHBondContact O-N 2.81Å; F178-R180 VanDerWaalsContact C-N 3.31Å; F178-R180 PolarHBondContact O-N 2.99Å; R180-I182 VanDerWaalsContact C-N 3.3Å; R180-I182 PolarHBondContact O-N 2.93Å; R180-E183 PolarHBondContact O-N 3.37Å; R180-N184 WeakPolarHBondContact O-CB 3.5Å; R180-N184 PolarHBondContact O-N 3.43Å; R180-N184 PolarHBondContact O-OD1 3.31Å; R180-P762 VanDerWaalsContact NH1-CB 3.3Å; R180-P762 PolarHBondContact NH1-O 2.75Å
181	V	93.9	Very high	92.2	Very high	8 Å²	8	40.5 Å²	40.5	5%	0.048	21%	0.213	C	C	.	.	H	α-helix	trans	-59.4	-44.8	176	170.5	0	0	0	0	110.7	V129 V157 T177 F178 S179 A185	V129-V181 HydrophobicContact CB-CG1 4.04Å; V129-V181 HydrophobicContact CG1-CG1 3.52Å; V157-V181 HydrophobicContact CG2-CG1 4.23Å; T177-V181 WeakPolarHBondContact O-CG2 3.04Å; T177-V181 PolarHBondContact O-N 2.81Å; F178-V181 PolarHBondContact O-N 3.47Å; S179-V181 PolarHBondContact O-N 3.43Å; V181-A185 PolarHBondContact O-N 3.19Å; V181-A185 VanDerWaalsContact O-N 3.11Å
182	I	97.2	Very high	91.5	Very high	7 Å²	7	44.1 Å²	44.1	4%	0.036	23%	0.225	C	C	.	.	H	α-helix	trans	-67.1	-44.5	178.9	-64.8	157.2	0	0	0	110.8	L155 V157 F178 S179 R180 A185 N186 V202 P204 V209 F211 W245	L155-I182 HydrophobicContact CD2-CB 4.41Å; L155-I182 HydrophobicContact CD2-CG1 3.87Å; V157-I182 HydrophobicContact CG2-CG1 4.25Å; F178-I182 WeakPolarHBondContact O-CD1 3.49Å; F178-I182 VanDerWaalsContact O-CG1 3.29Å; F178-I182 WeakPolarHBondContact O-CG1 3.33Å; F178-I182 PolarHBondContact O-N 3.32Å; S179-I182 PolarHBondContact O-N 3.49Å; R180-I182 VanDerWaalsContact C-N 3.3Å; R180-I182 PolarHBondContact O-N 2.93Å; I182-A185 PolarHBondContact O-N 2.91Å; I182-N186 WeakPolarHBondContact O-CB 3.33Å; I182-N186 PolarHBondContact O-N 2.64Å; I182-V202 HydrophobicContact CG2-CG2 4.3Å; I182-P204 HydrophobicContact CD1-CG 3.53Å; I182-V209 HydrophobicContact CD1-CG1 4.06Å; I182-V209 HydrophobicContact CG1-CG1 4.18Å; I182-V209 HydrophobicContact CG1-CG2 4.49Å; I182-V209 HydrophobicContact CG2-CG2 4.46Å; I182-F211 HydrophobicContact CD1-CZ 4.28Å; I182-W245 HydrophobicContact CD1-CH2 3.88Å; I182-W245 HydrophobicContact CD1-CZ2 3.62Å
183	E	95.1	Very high	90.6	Very high	120 Å²	120	48.1 Å²	48.1	56%	0.561	24%	0.244	S	C	*	.	H	α-helix	trans	-60.9	-47.5	177.4	-74.9	170.1	-175	0	0	111.7	S179 R180 A185 N186 V187	S179-E183 WeakPolarHBondContact O-CB 3.48Å; S179-E183 VanDerWaalsContact O-CG 3.3Å; S179-E183 WeakPolarHBondContact O-CG 3.44Å; S179-E183 PolarHBondContact O-N 2.98Å; R180-E183 PolarHBondContact O-N 3.37Å; E183-A185 VanDerWaalsContact C-N 3.29Å; E183-A185 PolarHBondContact O-N 2.91Å; E183-N186 WeakPolarHBondContact O-CB 3.3Å; E183-N186 PolarHBondContact O-N 3.38Å; E183-N186 VanDerWaalsContact O-N 3.09Å; E183-V187 WeakPolarHBondContact O-CG2 3.23Å; E183-V187 PolarHBondContact O-N 2.97Å
184	N	91.3	Very high	90	Very high	76 Å²	76	45.6 Å²	45.6	41%	0.406	23%	0.233	S	C	.	.	H	α-helix	trans	-60.9	-39.5	177.5	-72.7	-5.2	0	0	0	111.8	V135 R180 V187 I188	V135-N184 HydrophobicContact CB-CB 4.25Å; V135-N184 HydrophobicContact CG2-CB 3.99Å; R180-N184 WeakPolarHBondContact O-CB 3.5Å; R180-N184 PolarHBondContact O-N 3.43Å; R180-N184 PolarHBondContact O-OD1 3.31Å; N184-V187 PolarHBondContact O-N 3.15Å; N184-I188 PolarHBondContact O-N 3.34Å
185	A	93.4	Very high	89.7	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-64.7	-42.5	174.3	0	0	0	0	0	111.3	V135 L155 V181 I182 E183 V187 I188 M189	V135-A185 HydrophobicContact CG2-CB 4.06Å; L155-A185 HydrophobicContact CD2-CB 4.25Å; V181-A185 PolarHBondContact O-N 3.19Å; V181-A185 VanDerWaalsContact O-N 3.11Å; I182-A185 PolarHBondContact O-N 2.91Å; E183-A185 VanDerWaalsContact C-N 3.29Å; E183-A185 PolarHBondContact O-N 2.91Å; A185-V187 PolarHBondContact O-N 3.29Å; A185-I188 PolarHBondContact O-N 2.84Å; A185-M189 HydrophobicContact CB-CE 4.25Å; A185-M189 WeakPolarHBondContact O-CG 3.32Å; A185-M189 PolarHBondContact O-N 3.44Å
186	N	95.3	Very high	89.2	Confident	17 Å²	17	55.5 Å²	55.5	9%	0.091	29%	0.293	C	S	.	.	H	α-helix	trans	-65.6	-34.5	178.1	-77.5	-20.3	0	0	0	113.2	I182 E183 I188 M189 A190 Q201 V202	I182-N186 WeakPolarHBondContact O-CB 3.33Å; I182-N186 PolarHBondContact O-N 2.64Å; E183-N186 WeakPolarHBondContact O-CB 3.3Å; E183-N186 PolarHBondContact O-N 3.38Å; E183-N186 VanDerWaalsContact O-N 3.09Å; N186-I188 VanDerWaalsContact C-N 3.29Å; N186-I188 PolarHBondContact O-N 2.88Å; N186-M189 PolarHBondContact O-N 3.33Å; N186-A190 VanDerWaalsContact O-CB 3.27Å; N186-A190 WeakPolarHBondContact O-CB 3.09Å; N186-A190 PolarHBondContact O-N 3.04Å; N186-Q201 HydrophobicContact CB-CB 4.46Å; N186-Q201 HydrophobicContact CB-CG 4.27Å; N186-Q201 WeakPolarHBondContact OD1-CA 3.3Å; N186-Q201 WeakPolarHBondContact OD1-CB 3.44Å; N186-V202 PolarHBondContact ND2-O 3.5Å; N186-V202 VanDerWaalsContact OD1-CG2 3.28Å; N186-V202 WeakPolarHBondContact OD1-CG2 3.46Å; N186-V202 PolarHBondContact OD1-N 3.29Å; N186-V202 PolarHBondContact OD1-O 2.87Å
187	V	91	Very high	88.8	Confident	93 Å²	93	52.3 Å²	52.3	56%	0.564	28%	0.279	S	S	*	.	H	α-helix	trans	-58.3	-44.3	174.1	169.7	0	0	0	0	110.6	E183 N184 A185 A190 T191	E183-V187 WeakPolarHBondContact O-CG2 3.23Å; E183-V187 PolarHBondContact O-N 2.97Å; N184-V187 PolarHBondContact O-N 3.15Å; A185-V187 PolarHBondContact O-N 3.29Å; V187-A190 PolarHBondContact O-N 3.12Å; V187-T191 PolarHBondContact O-N 2.91Å; V187-T191 PolarHBondContact O-OG1 2.74Å
188	I	85.1	Confident	88.6	Confident	16 Å²	16	52.6 Å²	52.6	8%	0.082	29%	0.288	C	S	.	.	H	α-helix	trans	-65.7	-46.1	176.2	-61.1	163	0	0	0	110.2	V135 E140 L143 N184 A185 N186 A190 T191 Y192	V135-I188 HydrophobicContact CG1-CD1 3.5Å; E140-I188 HydrophobicContact CB-CD1 3.77Å; E140-I188 HydrophobicContact CG-CD1 3.87Å; E140-I188 HydrophobicContact CG-CG1 4.12Å; E140-I188 HydrophobicContact CG-CG2 4Å; L143-I188 HydrophobicContact CD2-CB 4.12Å; L143-I188 HydrophobicContact CD2-CG2 3.83Å; L143-I188 HydrophobicContact CG-CG2 4.23Å; N184-I188 PolarHBondContact O-N 3.34Å; A185-I188 PolarHBondContact O-N 2.84Å; N186-I188 VanDerWaalsContact C-N 3.29Å; N186-I188 PolarHBondContact O-N 2.88Å; I188-A190 VanDerWaalsContact C-N 3.3Å; I188-A190 PolarHBondContact O-N 3.44Å; I188-T191 WeakPolarHBondContact O-CB 3.21Å; I188-T191 PolarHBondContact O-N 2.98Å; I188-T191 VanDerWaalsContact O-N 3.08Å; I188-Y192 HydrophobicContact CG2-CE2 4.46Å; I188-Y192 WeakPolarHBondContact O-CD2 3.32Å
189	M	90.4	Very high	88.4	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-61.1	-38.3	180	-65.3	174.2	-169	0	0	112.6	L143 L147 P153 A185 N186 T191 Y192 V200 Q201 V202	L143-M189 HydrophobicContact CD1-CE 4.01Å; L143-M189 HydrophobicContact CD1-CG 4.34Å; L143-M189 HydrophobicContact CD2-CE 3.82Å; L143-M189 HydrophobicContact CD2-CG 3.85Å; L143-M189 HydrophobicContact CG-CG 4.39Å; L147-M189 HydrophobicContact CD1-CB 4.49Å; L147-M189 HydrophobicContact CD1-CG 4.41Å; P153-M189 HydrophobicContact CB-CE 3.98Å; P153-M189 HydrophobicContact CG-CE 3.93Å; P153-M189 HydrophobicContact CG-CG 4.44Å; P153-M189 HydrophobicContact CG-SD 3.86Å; A185-M189 HydrophobicContact CB-CE 4.25Å; A185-M189 WeakPolarHBondContact O-CG 3.32Å; A185-M189 PolarHBondContact O-N 3.44Å; N186-M189 PolarHBondContact O-N 3.33Å; M189-T191 VanDerWaalsContact C-N 3.28Å; M189-T191 PolarHBondContact O-N 3.42Å; M189-Y192 PolarHBondContact O-N 3.32Å; M189-V200 HydrophobicContact CB-CG2 4.21Å; M189-V200 VanDerWaalsContact SD-O 3.39Å; M189-Q201 HydrophobicContact CB-CG 4.35Å; M189-V202 HydrophobicContact CE-CG1 4.15Å; M189-V202 HydrophobicContact CE-CG2 4.17Å; M189-V202 HydrophobicContact SD-CG1 4.12Å; M189-V202 HydrophobicContact SD-CG2 4.22Å
190	A	88	Confident	88.3	Confident	35 Å²	35	55.7 Å²	55.7	29%	0.289	31%	0.305	S	S	.	.	H	α-helix	trans	-70.8	-21.5	176.6	0	0	0	0	0	113.4	N186 V187 I188 Y192 E193	N186-A190 VanDerWaalsContact O-CB 3.27Å; N186-A190 WeakPolarHBondContact O-CB 3.09Å; N186-A190 PolarHBondContact O-N 3.04Å; V187-A190 PolarHBondContact O-N 3.12Å; I188-A190 VanDerWaalsContact C-N 3.3Å; I188-A190 PolarHBondContact O-N 3.44Å; A190-Y192 VanDerWaalsContact C-N 3.32Å; A190-E193 WeakPolarHBondContact O-CG 3.33Å
191	T	80.5	Confident	88.4	Confident	97 Å²	97	53.9 Å²	53.9	60%	0.595	30%	0.3	S	S	*	.	H	α-helix	trans	-74.3	-26.2	178.4	-58.7	0	0	0	0	112.1	V187 I188 M189	V187-T191 PolarHBondContact O-N 2.91Å; V187-T191 PolarHBondContact O-OG1 2.74Å; I188-T191 WeakPolarHBondContact O-CB 3.21Å; I188-T191 PolarHBondContact O-N 2.98Å; I188-T191 VanDerWaalsContact O-N 3.08Å; M189-T191 VanDerWaalsContact C-N 3.28Å; M189-T191 PolarHBondContact O-N 3.42Å
192	Y	77.5	Confident	88.6	Confident	84 Å²	84	53.6 Å²	53.6	33%	0.329	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.4	50.6	-179.5	-60.8	-84.5	0	0	0	111.3	R144 L147 I188 M189 A190 D194	R144-Y192 HydrophobicContact CB-CE2 4.15Å; R144-Y192 VanDerWaalsContact CD-CZ 3.44Å; R144-Y192 WeakPolarHBondContact CD-OH 3.36Å; R144-Y192 HydrophobicContact CG-CD1 4.31Å; R144-Y192 HydrophobicContact CG-CD2 4.5Å; R144-Y192 HydrophobicContact CG-CE1 3.71Å; R144-Y192 HydrophobicContact CG-CE2 3.94Å; L147-Y192 HydrophobicContact CD1-CD2 4.36Å; I188-Y192 HydrophobicContact CG2-CE2 4.46Å; I188-Y192 WeakPolarHBondContact O-CD2 3.32Å; M189-Y192 PolarHBondContact O-N 3.32Å; A190-Y192 VanDerWaalsContact C-N 3.32Å; Y192-D194 PolarHBondContact O-N 3.35Å
193	E	73.8	Confident	88.6	Confident	146 Å²	146	55.6 Å²	55.6	68%	0.682	31%	0.305	S	S	*	.			trans	-64	126.4	176	-83	-179.7	-171.1	0	0	111.6	A190	A190-E193 WeakPolarHBondContact O-CG 3.33Å
194	D	80.8	Confident	88.7	Confident	33 Å²	33	50 Å²	50	18%	0.176	28%	0.279	C	S	.	.			trans	-118.7	117.3	170.5	-173.3	-36.1	0	0	0	108.5	R150 Y192 L196 L197 G198	R150-D194 WeakPolarHBondContact CG-OD2 3.29Å; R150-D194 IonicContact CZ-OD2 2.73Å; R150-D194 IonicContact NE-OD1 3.2Å; R150-D194 IonicContact NE-OD2 3.46Å; R150-D194 PolarHBondContact NE-OD2 2.99Å; R150-D194 IonicContact NH2-OD2 2.83Å; R150-D194 PolarHBondContact NH2-OD2 3.09Å; Y192-D194 PolarHBondContact O-N 3.35Å; D194-L196 PolarHBondContact O-N 2.8Å; D194-L196 WeakPolarHBondContact OD1-CB 3.38Å; D194-L196 PolarHBondContact OD1-N 3.48Å; D194-L197 HydrophobicContact CB-CB 4.23Å; D194-L197 HydrophobicContact CB-CD1 3.93Å; D194-L197 HydrophobicContact CB-CG 4.17Å; D194-L197 PolarHBondContact O-N 3.47Å; D194-G198 PolarHBondContact O-N 2.79Å; D194-G198 VanDerWaalsContact O-N 3.11Å
195	P	85.2	Confident	88.8	Confident	127 Å²	127	49.1 Å²	49.1	83%	0.825	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-27.8	179.8	-27.6	34.9	0	0	0	114.4
196	L	86	Confident	88.9	Confident	93 Å²	93	54.1 Å²	54.1	49%	0.487	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-24.4	178.9	-66.8	174.7	0	0	0	113.4	R150 D194 E352	R150-L196 VanDerWaalsContact NH1-CD1 3.29Å; D194-L196 PolarHBondContact O-N 2.8Å; D194-L196 WeakPolarHBondContact OD1-CB 3.38Å; D194-L196 PolarHBondContact OD1-N 3.48Å; L196-E352 WeakPolarHBondContact CD1-OE2 3.41Å
197	L	84.2	Confident	88.8	Confident	12 Å²	12	53.3 Å²	53.3	6%	0.063	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-28.4	172.1	-74.4	171.8	0	0	0	112.1	R150 D194 V200 Y349	R150-L197 HydrophobicContact CB-CD1 4.04Å; R150-L197 HydrophobicContact CB-CD2 3.99Å; R150-L197 HydrophobicContact CB-CG 4.13Å; R150-L197 HydrophobicContact CG-CD1 4.04Å; R150-L197 HydrophobicContact CG-CG 4.16Å; D194-L197 HydrophobicContact CB-CB 4.23Å; D194-L197 HydrophobicContact CB-CD1 3.93Å; D194-L197 HydrophobicContact CB-CG 4.17Å; D194-L197 PolarHBondContact O-N 3.47Å; L197-V200 HydrophobicContact CB-CG1 3.7Å; L197-V200 HydrophobicContact CD1-CG1 4.11Å; L197-V200 HydrophobicContact CG-CG1 4.38Å; L197-Y349 HydrophobicContact CD2-CD2 3.91Å; L197-Y349 HydrophobicContact CD2-CE2 3.41Å; L197-Y349 VanDerWaalsContact CD2-CE2 3.41Å
198	G	88.5	Confident	89.1	Confident	40 Å²	40	49.6 Å²	49.6	41%	0.412	27%	0.268	S	S	.	.			trans	67.2	-145.9	-171.5	0	0	0	0	0	111.4	D194 V200	D194-G198 PolarHBondContact O-N 2.79Å; D194-G198 VanDerWaalsContact O-N 3.11Å; G198-V200 PolarHBondContact O-N 2.99Å
199	D	92	Very high	89.7	Confident	70 Å²	70	48.9 Å²	48.9	37%	0.374	26%	0.264	S	S	.	.			trans	-68.1	113.8	177.4	-179.2	15.4	0	0	0	111.1	R152 Q201 Y203 K206	R152-D199 PolarHBondContact NH2-O 2.83Å; D199-Q201 WeakPolarHBondContact OD1-CB 3.38Å; D199-Q201 PolarHBondContact OD1-N 2.85Å; D199-Y203 VanDerWaalsContact OD2-CE2 3.32Å; D199-Y203 WeakPolarHBondContact OD2-CE2 3.13Å; D199-K206 IonicContact OD2-NZ 2.76Å; D199-K206 PolarHBondContact OD2-NZ 3.44Å
200	V	92.1	Very high	90	Very high	5 Å²	5	48.9 Å²	48.9	3%	0.03	26%	0.264	C	S	.	.			trans	-106	-2.4	176.8	-68.2	0	0	0	0	113	L147 P153 M189 L197 G198	L147-V200 HydrophobicContact CD2-CB 4.23Å; L147-V200 HydrophobicContact CD2-CG1 4.42Å; L147-V200 HydrophobicContact CD2-CG2 4.05Å; P153-V200 HydrophobicContact CG-CB 4.46Å; P153-V200 WeakPolarHBondContact CG-O 3.48Å; M189-V200 HydrophobicContact CB-CG2 4.21Å; M189-V200 VanDerWaalsContact SD-O 3.39Å; L197-V200 HydrophobicContact CB-CG1 3.7Å; L197-V200 HydrophobicContact CD1-CG1 4.11Å; L197-V200 HydrophobicContact CG-CG1 4.38Å; G198-V200 PolarHBondContact O-N 2.99Å
201	Q	95.3	Very high	90.5	Very high	53 Å²	53	47.2 Å²	47.2	25%	0.248	25%	0.251	C	S	.	.			trans	-68.3	158.8	178	-65.3	179.8	30.2	0	0	110.9	N186 M189 D199 Y203	N186-Q201 HydrophobicContact CB-CB 4.46Å; N186-Q201 HydrophobicContact CB-CG 4.27Å; N186-Q201 WeakPolarHBondContact OD1-CA 3.3Å; N186-Q201 WeakPolarHBondContact OD1-CB 3.44Å; M189-Q201 HydrophobicContact CB-CG 4.35Å; D199-Q201 WeakPolarHBondContact OD1-CB 3.38Å; D199-Q201 PolarHBondContact OD1-N 2.85Å; Q201-Y203 HydrophobicContact CB-CE1 4.48Å; Q201-Y203 HydrophobicContact CB-CE2 3.63Å; Q201-Y203 WeakPolarHBondContact CB-OH 3.37Å; Q201-Y203 WeakPolarHBondContact O-CE2 3.31Å; Q201-Y203 PolarHBondContact OE1-OH 3.48Å
202	V	97.1	Very high	91.3	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.006	22%	0.222	C	C	.	.			trans	-110.5	137.2	-177.4	-65.6	0	0	0	0	111.7	L155 I182 N186 M189 T208 V209	L155-V202 HydrophobicContact CB-CB 4.22Å; L155-V202 HydrophobicContact CB-CG1 4.15Å; L155-V202 HydrophobicContact CB-CG2 3.82Å; L155-V202 HydrophobicContact CD2-CG2 3.82Å; L155-V202 HydrophobicContact CG-CG2 4.47Å; I182-V202 HydrophobicContact CG2-CG2 4.3Å; N186-V202 PolarHBondContact ND2-O 3.5Å; N186-V202 VanDerWaalsContact OD1-CG2 3.28Å; N186-V202 WeakPolarHBondContact OD1-CG2 3.46Å; N186-V202 PolarHBondContact OD1-N 3.29Å; N186-V202 PolarHBondContact OD1-O 2.87Å; M189-V202 HydrophobicContact CE-CG1 4.15Å; M189-V202 HydrophobicContact CE-CG2 4.17Å; M189-V202 HydrophobicContact SD-CG1 4.12Å; M189-V202 HydrophobicContact SD-CG2 4.22Å; V202-T208 VanDerWaalsContact CA-OG1 3.23Å; V202-T208 WeakPolarHBondContact CA-OG1 3.46Å; V202-T208 WeakPolarHBondContact CB-OG1 3.38Å; V202-V209 HydrophobicContact CB-CG2 3.76Å; V202-V209 HydrophobicContact CG2-CG2 4.01Å
203	Y	97.2	Very high	92.1	Very high	49 Å²	49	38.6 Å²	38.6	19%	0.192	21%	0.207	C	C	.	.			trans	-138.3	117.8	-173.3	-56.4	-79.1	0	0	0	110	D199 Q201 E205 K206 G207 T208	D199-Y203 VanDerWaalsContact OD2-CE2 3.32Å; D199-Y203 WeakPolarHBondContact OD2-CE2 3.13Å; Q201-Y203 HydrophobicContact CB-CE1 4.48Å; Q201-Y203 HydrophobicContact CB-CE2 3.63Å; Q201-Y203 WeakPolarHBondContact CB-OH 3.37Å; Q201-Y203 WeakPolarHBondContact O-CE2 3.31Å; Q201-Y203 PolarHBondContact OE1-OH 3.48Å; Y203-E205 VanDerWaalsContact C-N 3.27Å; Y203-E205 PolarHBondContact O-N 3.44Å; Y203-K206 HydrophobicContact CD2-CD 3.62Å; Y203-K206 HydrophobicContact CD2-CG 4.41Å; Y203-K206 VanDerWaalsContact CD2-NZ 3.29Å; Y203-K206 HydrophobicContact CE2-CD 4.4Å; Y203-K206 HydrophobicContact CG-CD 3.96Å; Y203-K206 HydrophobicContact CG-CG 4.32Å; Y203-K206 PolarHBondContact O-N 2.88Å; Y203-G207 PolarHBondContact O-N 3.03Å; Y203-T208 PolarHBondContact N-OG1 3.15Å; Y203-T208 PolarHBondContact O-N 3.31Å; Y203-T208 PolarHBondContact O-OG1 2.95Å
204	P	97.5	Very high	92.8	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.013	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-56.3	-40.1	177.2	-28.1	37.5	0	0	0	113.4	I182 K206 G207 V209 F211 L222 W245	I182-P204 HydrophobicContact CD1-CG 3.53Å; P204-K206 PolarHBondContact O-N 3.16Å; P204-G207 PolarHBondContact O-N 3.01Å; P204-V209 HydrophobicContact CB-CB 4.25Å; P204-V209 HydrophobicContact CG-CB 3.87Å; P204-V209 HydrophobicContact CG-CG1 4.25Å; P204-V209 HydrophobicContact CG-CG2 3.88Å; P204-F211 HydrophobicContact CB-CE2 4.3Å; P204-F211 HydrophobicContact CB-CZ 4.5Å; P204-F211 HydrophobicContact CG-CZ 4.4Å; P204-L222 HydrophobicContact CB-CD1 3.68Å; P204-L222 HydrophobicContact CB-CG 4.17Å; P204-W245 HydrophobicContact CB-CD2 3.71Å; P204-W245 HydrophobicContact CB-CE3 3.98Å; P204-W245 HydrophobicContact CB-CG 3.93Å; P204-W245 HydrophobicContact CG-CD2 3.8Å; P204-W245 HydrophobicContact CG-CE3 4.25Å; P204-W245 HydrophobicContact CG-CG 4.24Å; P204-W245 HydrophobicContact CG-CH2 4.28Å; P204-W245 HydrophobicContact CG-CZ2 3.83Å; P204-W245 HydrophobicContact CG-CZ3 4.47Å
205	E	94.9	Very high	93.1	Very high	59 Å²	59	33.9 Å²	33.9	28%	0.276	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-68.4	-17.9	178.5	70.7	-78.8	-174.5	0	0	113.6	Y203 M241 W245	Y203-E205 VanDerWaalsContact C-N 3.27Å; Y203-E205 PolarHBondContact O-N 3.44Å; E205-M241 WeakPolarHBondContact O-CE 3.32Å; E205-W245 HydrophobicContact CB-CB 4.23Å; E205-W245 VanDerWaalsContact OE2-CD1 3.29Å
206	K	93.7	Very high	93.3	Very high	104 Å²	104	28.4 Å²	28.4	45%	0.452	15%	0.149	S	C	.	.	G	3₁₀ helix	trans	-96.4	-2.3	171.3	-57	-175.8	-170	160.6	0	112.9	D199 Y203 P204 H339	D199-K206 IonicContact OD2-NZ 2.76Å; D199-K206 PolarHBondContact OD2-NZ 3.44Å; Y203-K206 HydrophobicContact CD2-CD 3.62Å; Y203-K206 HydrophobicContact CD2-CG 4.41Å; Y203-K206 VanDerWaalsContact CD2-NZ 3.29Å; Y203-K206 HydrophobicContact CE2-CD 4.4Å; Y203-K206 HydrophobicContact CG-CD 3.96Å; Y203-K206 HydrophobicContact CG-CG 4.32Å; Y203-K206 PolarHBondContact O-N 2.88Å; P204-K206 PolarHBondContact O-N 3.16Å; K206-H339 PolarHBondContact O-CE1 3.37Å; K206-H339 PolarHBondContact O-NE2 3.48Å
207	G	94.1	Very high	93.4	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.01	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.4	3.4	177.4	0	0	0	0	0	115.6	Y203 P204 V209 M335 H339	Y203-G207 PolarHBondContact O-N 3.03Å; P204-G207 PolarHBondContact O-N 3.01Å; G207-V209 PolarHBondContact O-N 3.12Å; G207-M335 WeakPolarHBondContact O-CG 3.41Å; G207-H339 VanDerWaalsContact C-NE2 3.31Å; G207-H339 PolarHBondContact O-CD2 2.91Å; G207-H339 VanDerWaalsContact O-CD2 3.29Å; G207-H339 PolarHBondContact O-NE2 3.5Å
208	T	96.3	Very high	93.8	Very high	15 Å²	15	23.8 Å²	23.8	9%	0.092	13%	0.127	C	C	.	.			trans	-83.8	1.5	-179.4	66	0	0	0	0	113.5	L155 V202 Y203 H339	L155-T208 PolarHBondContact N-O 3.2Å; L155-T208 VanDerWaalsContact N-O 3.09Å; V202-T208 VanDerWaalsContact CA-OG1 3.23Å; V202-T208 WeakPolarHBondContact CA-OG1 3.46Å; V202-T208 WeakPolarHBondContact CB-OG1 3.38Å; Y203-T208 PolarHBondContact N-OG1 3.15Å; Y203-T208 PolarHBondContact O-N 3.31Å; Y203-T208 PolarHBondContact O-OG1 2.95Å; T208-H339 HydrophobicContact CG2-CB 4.13Å
209	V	98.3	Very high	94.1	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	127	176.7	-175.2	0	0	0	0	109.7	L155 V157 I182 V202 P204 G207 F211	L155-V209 HydrophobicContact CB-CG2 4.36Å; L155-V209 HydrophobicContact CD2-CG1 4.39Å; L155-V209 HydrophobicContact CD2-CG2 4.49Å; L155-V209 CarbonylContact O-C 3.58Å; L155-V209 VanDerWaalsContact O-CA 3.29Å; L155-V209 WeakPolarHBondContact O-CA 3.48Å; V157-V209 HydrophobicContact CG2-CG1 4.23Å; I182-V209 HydrophobicContact CD1-CG1 4.06Å; I182-V209 HydrophobicContact CG1-CG1 4.18Å; I182-V209 HydrophobicContact CG1-CG2 4.49Å; I182-V209 HydrophobicContact CG2-CG2 4.46Å; V202-V209 HydrophobicContact CB-CG2 3.76Å; V202-V209 HydrophobicContact CG2-CG2 4.01Å; P204-V209 HydrophobicContact CB-CB 4.25Å; P204-V209 HydrophobicContact CG-CB 3.87Å; P204-V209 HydrophobicContact CG-CG1 4.25Å; P204-V209 HydrophobicContact CG-CG2 3.88Å; G207-V209 PolarHBondContact O-N 3.12Å; V209-F211 HydrophobicContact CG1-CE2 4.45Å; V209-F211 HydrophobicContact CG1-CZ 4.31Å
210	A	98	Very high	94.3	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	155.9	168.7	0	0	0	0	0	111.5	L155 T156 V157 F220 T221 L332 M335	L155-A210 PolarHBondContact O-N 3.04Å; T156-A210 CarbonylContact C-O 3.59Å; T156-A210 VanDerWaalsContact CA-O 3.31Å; T156-A210 WeakPolarHBondContact CA-O 3.41Å; V157-A210 PolarHBondContact N-O 2.96Å; A210-F220 CarbonylContact C-O 3.58Å; A210-F220 WeakPolarHBondContact CA-O 3.29Å; A210-T221 HydrophobicContact CB-CG2 4.02Å; A210-L332 HydrophobicContact CB-CD2 3.61Å; A210-M335 HydrophobicContact CB-CE 3.76Å; A210-M335 HydrophobicContact CB-SD 3.8Å
211	F	98.1	Very high	94.5	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	118.7	-180	-73.9	-70.8	0	0	0	106.9	V157 M160 F178 I182 P204 V209 A219 F220 L222 W245 F271	V157-F211 HydrophobicContact CB-CD1 4.03Å; V157-F211 HydrophobicContact CB-CE1 4.28Å; V157-F211 HydrophobicContact CG1-CD1 4.41Å; V157-F211 HydrophobicContact CG2-CE1 4.29Å; M160-F211 HydrophobicContact CE-CB 4.34Å; M160-F211 HydrophobicContact SD-CB 3.4Å; M160-F211 WeakPolarHBondContact SD-CB 3.37Å; M160-F211 HydrophobicContact SD-CD1 3.86Å; M160-F211 HydrophobicContact SD-CG 4.07Å; F178-F211 HydrophobicContact CB-CE1 3.99Å; F178-F211 HydrophobicContact CD2-CD1 4.18Å; F178-F211 AromaticContact CD2-CE1 3.84Å; F178-F211 HydrophobicContact CD2-CE1 3.84Å; F178-F211 HydrophobicContact CG-CE1 4.07Å; I182-F211 HydrophobicContact CD1-CZ 4.28Å; P204-F211 HydrophobicContact CB-CE2 4.3Å; P204-F211 HydrophobicContact CB-CZ 4.5Å; P204-F211 HydrophobicContact CG-CZ 4.4Å; V209-F211 HydrophobicContact CG1-CE2 4.45Å; V209-F211 HydrophobicContact CG1-CZ 4.31Å; F211-A219 CarbonylContact O-C 3.52Å; F211-A219 WeakPolarHBondContact O-CA 3.24Å; F211-A219 WeakPolarHBondContact O-CB 3.41Å; F211-F220 HydrophobicContact CB-CD1 3.86Å; F211-F220 HydrophobicContact CB-CD2 4.12Å; F211-F220 HydrophobicContact CB-CE1 3.44Å; F211-F220 VanDerWaalsContact CB-CE1 3.44Å; F211-F220 HydrophobicContact CB-CE2 3.74Å; F211-F220 HydrophobicContact CB-CG 4.19Å; F211-F220 HydrophobicContact CB-CZ 3.38Å; F211-F220 HydrophobicContact CD2-CD2 4.17Å; F211-F220 AromaticContact CD2-CE2 3.58Å; F211-F220 HydrophobicContact CD2-CE2 3.58Å; F211-F220 AromaticContact CD2-CZ 3.92Å; F211-F220 HydrophobicContact CD2-CZ 3.92Å; F211-F220 HydrophobicContact CE2-CE2 4.5Å; F211-F220 HydrophobicContact CG-CE1 4.32Å; F211-F220 AromaticContact CG-CE2 3.92Å; F211-F220 HydrophobicContact CG-CE2 3.92Å; F211-F220 AromaticContact CG-CZ 3.76Å; F211-F220 HydrophobicContact CG-CZ 3.76Å; F211-F220 PolarHBondContact N-O 2.83Å; F211-F220 PolarHBondContact O-N 3.41Å; F211-L222 HydrophobicContact CE2-CD2 4.31Å; F211-W245 HydrophobicContact CE1-CH2 4.31Å; F211-W245 HydrophobicContact CE1-CZ3 4.31Å; F211-W245 HydrophobicContact CE2-CZ3 4.15Å; F211-W245 HydrophobicContact CZ-CE3 4.34Å; F211-W245 AromaticContact CZ-CH2 3.71Å; F211-W245 HydrophobicContact CZ-CH2 3.71Å; F211-W245 AromaticContact CZ-CZ3 3.49Å; F211-W245 HydrophobicContact CZ-CZ3 3.49Å; F211-W245 VanDerWaalsContact CZ-CZ3 3.49Å; F211-F271 HydrophobicContact CD1-CZ 4.37Å; F211-F271 HydrophobicContact CD2-CE2 4.17Å; F211-F271 HydrophobicContact CE1-CE2 4.42Å; F211-F271 HydrophobicContact CE1-CZ 4.24Å; F211-F271 AromaticContact CE2-CE2 3.9Å; F211-F271 HydrophobicContact CE2-CE2 3.9Å; F211-F271 HydrophobicContact CE2-CZ 4.49Å; F211-F271 HydrophobicContact CZ-CE2 4.04Å; F211-F271 HydrophobicContact CZ-CZ 4.31Å
212	S	96.1	Very high	94.6	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	152.6	-163.1	61.5	0	0	0	0	113.9	T156 V157 N158 K159 M160	T156-S212 WeakPolarHBondContact OG1-CB 3.28Å; T156-S212 PolarHBondContact OG1-OG 3.31Å; V157-S212 PolarHBondContact O-N 3.04Å; V157-S212 PolarHBondContact O-OG 3.47Å; N158-S212 CarbonylContact C-O 3.24Å; N158-S212 VanDerWaalsContact CA-O 3.31Å; N158-S212 WeakPolarHBondContact CA-O 3.31Å; N158-S212 VanDerWaalsContact CA-OG 3.31Å; N158-S212 WeakPolarHBondContact CA-OG 3.37Å; N158-S212 PolarHBondContact OD1-O 3.46Å; N158-S212 PolarHBondContact OD1-OG 2.85Å; K159-S212 PolarHBondContact N-O 3.17Å; K159-S212 VanDerWaalsContact N-O 3.13Å; M160-S212 WeakPolarHBondContact CB-O 3.29Å; M160-S212 WeakPolarHBondContact CG-O 3.1Å; M160-S212 PolarHBondContact N-O 3.19Å
213	A	94.6	Very high	94.3	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	84.4	164.7	0	0	0	0	0	107.7	D161 L215 H216 G217 W218	D161-A213 HydrophobicContact CB-CB 3.94Å; D161-A213 WeakPolarHBondContact OD1-CB 3.37Å; A213-L215 PolarHBondContact O-N 3.08Å; A213-H216 CarbonylContact O-C 3.58Å; A213-H216 PolarHBondContact O-N 3.06Å; A213-G217 PolarHBondContact O-N 2.98Å; A213-W218 HydrophobicContact CB-CD2 4.02Å; A213-W218 HydrophobicContact CB-CG 4.4Å; A213-W218 HydrophobicContact CB-CH2 4.3Å; A213-W218 HydrophobicContact CB-CZ2 3.56Å; A213-W218 PolarHBondContact N-O 2.96Å
214	G	88.6	Confident	94	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	-54.3	-37.6	-175.8	0	0	0	0	0	113.3	S38 N158 H216 G217	S38-G214 PolarHBondContact OG-O 3.34Å; S38-G214 VanDerWaalsContact OG-O 3.04Å; N158-G214 PolarHBondContact OD1-N 3.23Å; G214-H216 PolarHBondContact O-N 3.21Å; G214-G217 PolarHBondContact O-N 3.1Å; G214-G217 VanDerWaalsContact O-N 3.08Å
215	L	87.3	Confident	93.7	Very high	80 Å²	80	15.4 Å²	15.4	42%	0.419	8%	0.078	S	C	.	.	G	3₁₀ helix	trans	-59.4	-31.8	177.7	-176.5	63.3	0	0	0	113.1	T34 A213	T34-L215 HydrophobicContact CG2-CB 4.43Å; T34-L215 HydrophobicContact CG2-CD1 4.46Å; A213-L215 PolarHBondContact O-N 3.08Å
216	H	88.9	Confident	93.6	Very high	13 Å²	13	12.6 Å²	12.6	6%	0.06	7%	0.065	C	C	.	.	G	3₁₀ helix	trans	-103.3	3.1	180	-61.2	-27.3	0	0	0	112.7	D161 L165 A213 G214 W218 Q323	D161-H216 VanDerWaalsContact CB-CD2 3.44Å; D161-H216 WeakPolarHBondContact CB-CD2 3.43Å; D161-H216 IonicContact OD2-NE2 2.74Å; L165-H216 WeakPolarHBondContact CD1-NE2 3.49Å; A213-H216 CarbonylContact O-C 3.58Å; A213-H216 PolarHBondContact O-N 3.06Å; G214-H216 PolarHBondContact O-N 3.21Å; H216-W218 VanDerWaalsContact C-N 3.31Å; H216-W218 VanDerWaalsContact CB-CD1 3.48Å; H216-W218 PolarHBondContact O-N 3.45Å; H216-Q323 WeakPolarHBondContact O-CG 3.29Å; H216-Q323 PolarHBondContact O-NE2 3.46Å
217	G	88.3	Confident	93.3	Very high	8 Å²	8	10.1 Å²	10.1	8%	0.082	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.9	27	173.6	0	0	0	0	0	114.8	A213 G214 A328	A213-G217 PolarHBondContact O-N 2.98Å; G214-G217 PolarHBondContact O-N 3.1Å; G214-G217 VanDerWaalsContact O-N 3.08Å; G217-A328 WeakPolarHBondContact O-CB 3.45Å; G217-A328 PolarHBondContact O-N 2.8Å
218	W	93.1	Very high	92.9	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	147.5	176.5	68.1	-95.7	0	0	0	112.2	M160 F164 A213 H216 F220 I279 I283 M322 L326	M160-W218 HydrophobicContact CB-CH2 4.03Å; M160-W218 HydrophobicContact CB-CZ2 4.47Å; M160-W218 HydrophobicContact CE-CH2 4.42Å; M160-W218 HydrophobicContact SD-CH2 4.47Å; F164-W218 HydrophobicContact CE2-CH2 4.05Å; F164-W218 HydrophobicContact CE2-CZ2 4.2Å; A213-W218 HydrophobicContact CB-CD2 4.02Å; A213-W218 HydrophobicContact CB-CG 4.4Å; A213-W218 HydrophobicContact CB-CH2 4.3Å; A213-W218 HydrophobicContact CB-CZ2 3.56Å; A213-W218 PolarHBondContact N-O 2.96Å; H216-W218 VanDerWaalsContact C-N 3.31Å; H216-W218 VanDerWaalsContact CB-CD1 3.48Å; H216-W218 PolarHBondContact O-N 3.45Å; W218-F220 HydrophobicContact CE3-CD1 4.4Å; W218-F220 AromaticContact CZ3-CD1 3.86Å; W218-F220 HydrophobicContact CZ3-CD1 3.86Å; W218-F220 AromaticContact CZ3-CE1 3.93Å; W218-F220 HydrophobicContact CZ3-CE1 3.93Å; W218-I279 HydrophobicContact CH2-CD1 4.49Å; W218-I279 HydrophobicContact CH2-CG2 4.07Å; W218-I279 HydrophobicContact CZ2-CG2 4.37Å; W218-I279 HydrophobicContact CZ3-CD1 4.22Å; W218-I283 HydrophobicContact CZ2-CD1 4.43Å; W218-M322 HydrophobicContact CB-CB 3.91Å; W218-M322 VanDerWaalsContact CD1-CB 3.43Å; W218-M322 HydrophobicContact CD2-CB 4.46Å; W218-M322 HydrophobicContact CD2-CE 3.56Å; W218-M322 HydrophobicContact CE3-CE 3.82Å; W218-M322 HydrophobicContact CG-CB 3.69Å; W218-M322 HydrophobicContact CG-CE 3.97Å; W218-M322 HydrophobicContact CG-CG 4.42Å; W218-M322 HydrophobicContact CH2-CE 4.37Å; W218-M322 HydrophobicContact CZ2-CE 4.11Å; W218-M322 HydrophobicContact CZ3-CE 4.23Å; W218-L326 WeakPolarHBondContact CA-O 3.43Å; W218-L326 HydrophobicContact CB-CB 4.48Å; W218-L326 WeakPolarHBondContact CB-O 3.39Å
219	A	95.5	Very high	92.5	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.008	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	159.7	174.2	0	0	0	0	0	110.7	F211 L326 A328 A331 L332	F211-A219 CarbonylContact O-C 3.52Å; F211-A219 WeakPolarHBondContact O-CA 3.24Å; F211-A219 WeakPolarHBondContact O-CB 3.41Å; A219-L326 PolarHBondContact N-O 3.04Å; A219-A328 HydrophobicContact CB-CB 4Å; A219-A331 HydrophobicContact CB-CB 4.2Å; A219-A331 WeakPolarHBondContact O-CB 3.35Å; A219-L332 HydrophobicContact CB-CD1 4.36Å; A219-L332 HydrophobicContact CB-CG 4.17Å
220	F	96.2	Very high	92	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	153.3	172.9	69.9	-88.9	0	0	0	111.3	M160 A210 F211 W218 L222 F225 F271 C275 I279 L326	M160-F220 HydrophobicContact CE-CE1 4.08Å; M160-F220 HydrophobicContact CE-CZ 4.31Å; M160-F220 HydrophobicContact SD-CE1 4.29Å; A210-F220 CarbonylContact C-O 3.58Å; A210-F220 WeakPolarHBondContact CA-O 3.29Å; F211-F220 HydrophobicContact CB-CD1 3.86Å; F211-F220 HydrophobicContact CB-CD2 4.12Å; F211-F220 HydrophobicContact CB-CE1 3.44Å; F211-F220 VanDerWaalsContact CB-CE1 3.44Å; F211-F220 HydrophobicContact CB-CE2 3.74Å; F211-F220 HydrophobicContact CB-CG 4.19Å; F211-F220 HydrophobicContact CB-CZ 3.38Å; F211-F220 HydrophobicContact CD2-CD2 4.17Å; F211-F220 AromaticContact CD2-CE2 3.58Å; F211-F220 HydrophobicContact CD2-CE2 3.58Å; F211-F220 AromaticContact CD2-CZ 3.92Å; F211-F220 HydrophobicContact CD2-CZ 3.92Å; F211-F220 HydrophobicContact CE2-CE2 4.5Å; F211-F220 HydrophobicContact CG-CE1 4.32Å; F211-F220 AromaticContact CG-CE2 3.92Å; F211-F220 HydrophobicContact CG-CE2 3.92Å; F211-F220 AromaticContact CG-CZ 3.76Å; F211-F220 HydrophobicContact CG-CZ 3.76Å; F211-F220 PolarHBondContact N-O 2.83Å; F211-F220 PolarHBondContact O-N 3.41Å; W218-F220 HydrophobicContact CE3-CD1 4.4Å; W218-F220 AromaticContact CZ3-CD1 3.86Å; W218-F220 HydrophobicContact CZ3-CD1 3.86Å; W218-F220 AromaticContact CZ3-CE1 3.93Å; W218-F220 HydrophobicContact CZ3-CE1 3.93Å; F220-L222 HydrophobicContact CE2-CD2 4.45Å; F220-F225 HydrophobicContact CB-CD2 4.36Å; F220-F225 HydrophobicContact CB-CE2 4.03Å; F220-F225 HydrophobicContact CD1-CE2 4.08Å; F220-F225 AromaticContact CD2-CD2 3.55Å; F220-F225 HydrophobicContact CD2-CD2 3.55Å; F220-F225 AromaticContact CD2-CE2 3.46Å; F220-F225 HydrophobicContact CD2-CE2 3.46Å; F220-F225 VanDerWaalsContact CD2-CE2 3.46Å; F220-F225 HydrophobicContact CE1-CE2 4.41Å; F220-F225 HydrophobicContact CE2-CD2 4.01Å; F220-F225 AromaticContact CE2-CE2 3.83Å; F220-F225 HydrophobicContact CE2-CE2 3.83Å; F220-F225 HydrophobicContact CG-CD2 4.06Å; F220-F225 AromaticContact CG-CE2 3.59Å; F220-F225 HydrophobicContact CG-CE2 3.59Å; F220-F225 HydrophobicContact CZ-CE2 4.29Å; F220-F271 AromaticContact CE2-CE2 3.99Å; F220-F271 HydrophobicContact CE2-CE2 3.99Å; F220-F271 HydrophobicContact CZ-CE2 4.02Å; F220-F271 HydrophobicContact CZ-CZ 4.13Å; F220-C275 HydrophobicContact CE2-CB 4.09Å; F220-C275 HydrophobicContact CZ-CB 4.26Å; F220-I279 HydrophobicContact CD1-CD1 3.88Å; F220-I279 HydrophobicContact CE1-CD1 3.4Å; F220-I279 HydrophobicContact CZ-CD1 4.03Å; F220-L326 HydrophobicContact CB-CD1 4.37Å; F220-L326 HydrophobicContact CB-CD2 4.24Å; F220-L326 HydrophobicContact CD1-CD1 4.24Å
221	T	96.5	Very high	91.3	Very high	3 Å²	3	18.3 Å²	18.3	2%	0.018	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	166.4	160.1	62.6	0	0	0	0	108.6	A210 T223 N224 M335	A210-T221 HydrophobicContact CB-CG2 4.02Å; T221-T223 PolarHBondContact O-N 2.98Å; T221-T223 WeakPolarHBondContact OG1-CB 3.35Å; T221-T223 PolarHBondContact OG1-N 3.18Å; T221-N224 PolarHBondContact N-OD1 3.26Å; T221-N224 PolarHBondContact O-N 2.94Å; T221-N224 VanDerWaalsContact O-N 3.09Å; T221-N224 PolarHBondContact O-OD1 2.89Å; T221-N224 PolarHBondContact OG1-OD1 2.8Å; T221-M335 HydrophobicContact CG2-CB 4.14Å; T221-M335 HydrophobicContact CG2-SD 4.27Å
222	L	96.2	Very high	90.6	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-62.2	-23.9	173.9	-60.4	-170.4	0	0	0	112.2	P204 F211 F220 N224 F225 A226 M241 L244 W245 F271	P204-L222 HydrophobicContact CB-CD1 3.68Å; P204-L222 HydrophobicContact CB-CG 4.17Å; F211-L222 HydrophobicContact CE2-CD2 4.31Å; F220-L222 HydrophobicContact CE2-CD2 4.45Å; L222-N224 VanDerWaalsContact C-N 3.29Å; L222-N224 PolarHBondContact O-N 3.2Å; L222-F225 PolarHBondContact O-N 3.4Å; L222-A226 WeakPolarHBondContact O-CB 3.35Å; L222-A226 PolarHBondContact O-N 2.84Å; L222-M241 HydrophobicContact CB-CE 4.3Å; L222-M241 HydrophobicContact CB-CG 4.39Å; L222-L244 HydrophobicContact CD1-CB 4.15Å; L222-L244 HydrophobicContact CD2-CB 4.31Å; L222-W245 HydrophobicContact CD1-CB 3.69Å; L222-W245 HydrophobicContact CD1-CD2 4.48Å; L222-W245 HydrophobicContact CD1-CE3 4.21Å; L222-W245 HydrophobicContact CD1-CG 4.3Å; L222-F271 HydrophobicContact CD2-CD2 3.97Å; L222-F271 HydrophobicContact CD2-CE2 4.17Å
223	T	91.2	Very high	90.1	Very high	17 Å²	17	28 Å²	28	10%	0.104	15%	0.145	C	C	.	.	H	α-helix	trans	-58.2	-41.2	173.4	-47.6	0	0	0	0	111.5	T221 F225 A226 K227 M241	T221-T223 PolarHBondContact O-N 2.98Å; T221-T223 WeakPolarHBondContact OG1-CB 3.35Å; T221-T223 PolarHBondContact OG1-N 3.18Å; T223-F225 PolarHBondContact O-N 3.48Å; T223-A226 PolarHBondContact O-N 2.82Å; T223-K227 HydrophobicContact CG2-CD 4.25Å; T223-K227 WeakPolarHBondContact O-CB 3.37Å; T223-K227 WeakPolarHBondContact O-CG 3.16Å; T223-K227 PolarHBondContact O-N 3.41Å; T223-M241 HydrophobicContact CG2-SD 4.44Å; T223-M241 WeakPolarHBondContact OG1-CE 3.43Å
224	N	90.4	Very high	89.7	Confident	23 Å²	23	31.4 Å²	31.4	12%	0.123	18%	0.18	C	C	.	.	H	α-helix	trans	-63.2	-44.9	-178.7	-58.2	110.4	0	0	0	111.5	T221 L222 M228	T221-N224 PolarHBondContact N-OD1 3.26Å; T221-N224 PolarHBondContact O-N 2.94Å; T221-N224 VanDerWaalsContact O-N 3.09Å; T221-N224 PolarHBondContact O-OD1 2.89Å; T221-N224 PolarHBondContact OG1-OD1 2.8Å; L222-N224 VanDerWaalsContact C-N 3.29Å; L222-N224 PolarHBondContact O-N 3.2Å; N224-M228 WeakPolarHBondContact O-CG 3.2Å
225	F	92.3	Very high	89.6	Confident	0 Å²	0	33 Å²	33	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-75	-34.8	176.1	-78.9	-76	0	0	0	112.7	F220 L222 T223 K227 M228 Y229 L244 F274 C275 I279 W325 L326	F220-F225 HydrophobicContact CB-CD2 4.36Å; F220-F225 HydrophobicContact CB-CE2 4.03Å; F220-F225 HydrophobicContact CD1-CE2 4.08Å; F220-F225 AromaticContact CD2-CD2 3.55Å; F220-F225 HydrophobicContact CD2-CD2 3.55Å; F220-F225 AromaticContact CD2-CE2 3.46Å; F220-F225 HydrophobicContact CD2-CE2 3.46Å; F220-F225 VanDerWaalsContact CD2-CE2 3.46Å; F220-F225 HydrophobicContact CE1-CE2 4.41Å; F220-F225 HydrophobicContact CE2-CD2 4.01Å; F220-F225 AromaticContact CE2-CE2 3.83Å; F220-F225 HydrophobicContact CE2-CE2 3.83Å; F220-F225 HydrophobicContact CG-CD2 4.06Å; F220-F225 AromaticContact CG-CE2 3.59Å; F220-F225 HydrophobicContact CG-CE2 3.59Å; F220-F225 HydrophobicContact CZ-CE2 4.29Å; L222-F225 PolarHBondContact O-N 3.4Å; T223-F225 PolarHBondContact O-N 3.48Å; F225-K227 VanDerWaalsContact C-N 3.34Å; F225-K227 PolarHBondContact O-N 2.75Å; F225-M228 HydrophobicContact CD1-SD 4.43Å; F225-M228 WeakPolarHBondContact O-CB 3.39Å; F225-M228 PolarHBondContact O-N 2.99Å; F225-M228 VanDerWaalsContact O-N 3.12Å; F225-Y229 HydrophobicContact CB-CD2 4.15Å; F225-Y229 HydrophobicContact CB-CE2 4.13Å; F225-Y229 HydrophobicContact CD1-CD2 4.38Å; F225-Y229 AromaticContact CD1-CE2 3.58Å; F225-Y229 HydrophobicContact CD1-CE2 3.58Å; F225-Y229 HydrophobicContact CE1-CE2 4.46Å; F225-Y229 HydrophobicContact CG-CE2 4.31Å; F225-Y229 WeakPolarHBondContact O-CD2 3.44Å; F225-Y229 PolarHBondContact O-N 3.04Å; F225-L244 HydrophobicContact CB-CD1 4Å; F225-F274 WeakPolarHBondContact CD1-O 3.37Å; F225-F274 WeakPolarHBondContact CE1-O 3.48Å; F225-C275 HydrophobicContact CD2-CB 4.06Å; F225-C275 HydrophobicContact CE2-CB 3.98Å; F225-C275 HydrophobicContact CG-CB 4.46Å; F225-C275 HydrophobicContact CZ-CB 4.3Å; F225-I279 HydrophobicContact CE2-CD1 4.32Å; F225-I279 HydrophobicContact CZ-CD1 4.1Å; F225-I279 HydrophobicContact CZ-CG1 4.32Å; F225-W325 HydrophobicContact CE1-CH2 4.1Å; F225-W325 AromaticContact CE1-CZ2 3.78Å; F225-W325 HydrophobicContact CE1-CZ2 3.78Å; F225-W325 AromaticContact CZ-CH2 3.97Å; F225-W325 HydrophobicContact CZ-CH2 3.97Å; F225-W325 AromaticContact CZ-CZ2 3.98Å; F225-W325 HydrophobicContact CZ-CZ2 3.98Å; F225-L326 HydrophobicContact CE2-CD1 4.27Å; F225-L326 HydrophobicContact CE2-CD2 4.46Å; F225-L326 HydrophobicContact CZ-CD1 4.04Å; F225-L326 HydrophobicContact CZ-CD2 4.42Å
226	A	91.2	Very high	89.7	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-59.7	-44.7	175.3	0	0	0	0	0	111.2	L222 T223 M228 Y229 A230 M240 M241 L244	L222-A226 WeakPolarHBondContact O-CB 3.35Å; L222-A226 PolarHBondContact O-N 2.84Å; T223-A226 PolarHBondContact O-N 2.82Å; A226-M228 VanDerWaalsContact C-N 3.27Å; A226-M228 PolarHBondContact O-N 3.17Å; A226-Y229 PolarHBondContact O-N 2.84Å; A226-A230 WeakPolarHBondContact O-CA 3.37Å; A226-A230 WeakPolarHBondContact O-CB 3.44Å; A226-A230 PolarHBondContact O-N 3.46Å; A226-M240 HydrophobicContact CB-CB 4.04Å; A226-M240 HydrophobicContact CB-CG 4.18Å; A226-M241 HydrophobicContact CB-CG 3.42Å; A226-M241 VanDerWaalsContact CB-CG 3.42Å; A226-L244 HydrophobicContact CB-CD1 4.26Å
227	K	87.3	Confident	89.6	Confident	52 Å²	52	36.1 Å²	36.1	23%	0.226	21%	0.208	C	C	.	.	H	α-helix	trans	-55.7	-39.6	173.2	-75.2	170.1	173.8	176.4	0	112.4	T223 F225 E237 E334	T223-K227 HydrophobicContact CG2-CD 4.25Å; T223-K227 WeakPolarHBondContact O-CB 3.37Å; T223-K227 WeakPolarHBondContact O-CG 3.16Å; T223-K227 PolarHBondContact O-N 3.41Å; F225-K227 VanDerWaalsContact C-N 3.34Å; F225-K227 PolarHBondContact O-N 2.75Å; K227-E237 HydrophobicContact CG-CG 4.34Å; K227-E237 WeakPolarHBondContact CG-OE2 3.44Å; K227-E334 IonicContact NZ-OE1 2.65Å; K227-E334 PolarHBondContact NZ-OE1 2.94Å; K227-E334 IonicContact NZ-OE2 3.73Å
228	M	85.6	Confident	89.6	Confident	59 Å²	59	38.9 Å²	38.9	29%	0.291	23%	0.226	S	C	.	.	H	α-helix	trans	-72.9	-32.3	178.8	-64.1	-179.5	-166.8	0	0	114.1	N224 F225 A226 L326	N224-M228 WeakPolarHBondContact O-CG 3.2Å; F225-M228 HydrophobicContact CD1-SD 4.43Å; F225-M228 WeakPolarHBondContact O-CB 3.39Å; F225-M228 PolarHBondContact O-N 2.99Å; F225-M228 VanDerWaalsContact O-N 3.12Å; A226-M228 VanDerWaalsContact C-N 3.27Å; A226-M228 PolarHBondContact O-N 3.17Å; M228-L326 HydrophobicContact CE-CD2 4.41Å
229	Y	89.3	Confident	89.5	Confident	26 Å²	26	44.8 Å²	44.8	10%	0.102	25%	0.252	C	S	.	.	H	α-helix	trans	-104.8	-24	-172.1	-66.5	-55.8	0	0	0	114.5	F225 A226 S231 K232 F233 M240 F274	F225-Y229 HydrophobicContact CB-CD2 4.15Å; F225-Y229 HydrophobicContact CB-CE2 4.13Å; F225-Y229 HydrophobicContact CD1-CD2 4.38Å; F225-Y229 AromaticContact CD1-CE2 3.58Å; F225-Y229 HydrophobicContact CD1-CE2 3.58Å; F225-Y229 HydrophobicContact CE1-CE2 4.46Å; F225-Y229 HydrophobicContact CG-CE2 4.31Å; F225-Y229 WeakPolarHBondContact O-CD2 3.44Å; F225-Y229 PolarHBondContact O-N 3.04Å; A226-Y229 PolarHBondContact O-N 2.84Å; Y229-S231 VanDerWaalsContact C-N 3.33Å; Y229-S231 PolarHBondContact O-N 3.37Å; Y229-K232 HydrophobicContact CD1-CD 4.22Å; Y229-K232 WeakPolarHBondContact O-CB 3.25Å; Y229-K232 PolarHBondContact O-N 3.04Å; Y229-F233 WeakPolarHBondContact O-CD2 3.3Å; Y229-F233 PolarHBondContact O-N 3.13Å; Y229-M240 HydrophobicContact CD2-CE 4.44Å; Y229-M240 HydrophobicContact CG-CE 4.31Å; Y229-F274 HydrophobicContact CD1-CD1 4.36Å; Y229-F274 HydrophobicContact CD2-CB 4.14Å; Y229-F274 HydrophobicContact CD2-CD1 4.42Å; Y229-F274 HydrophobicContact CE1-CD1 4.12Å; Y229-F274 HydrophobicContact CE2-CB 3.67Å; Y229-F274 HydrophobicContact CE2-CD1 4.16Å; Y229-F274 HydrophobicContact CE2-CG 4.32Å; Y229-F274 VanDerWaalsContact CE2-O 3.32Å; Y229-F274 WeakPolarHBondContact CE2-O 3.47Å; Y229-F274 PolarHBondContact OH-O 3.38Å; Y229-F274 VanDerWaalsContact OH-O 3.09Å
230	A	86.7	Confident	89.4	Confident	6 Å²	6	44.7 Å²	44.7	5%	0.05	25%	0.251	C	S	.	.	H	α-helix	trans	-54.4	-48.3	-179.3	0	0	0	0	0	111.8	A226 K232 F233 G234 V235 E237 M240	A226-A230 WeakPolarHBondContact O-CA 3.37Å; A226-A230 WeakPolarHBondContact O-CB 3.44Å; A226-A230 PolarHBondContact O-N 3.46Å; A230-K232 VanDerWaalsContact C-N 3.34Å; A230-K232 PolarHBondContact O-N 3.01Å; A230-F233 PolarHBondContact O-N 3.1Å; A230-G234 PolarHBondContact O-N 2.84Å; A230-V235 CarbonylContact C-O 3.47Å; A230-V235 VanDerWaalsContact CB-O 3.3Å; A230-V235 WeakPolarHBondContact CB-O 3.44Å; A230-V235 PolarHBondContact O-N 3.46Å; A230-E237 HydrophobicContact CB-CG 3.92Å; A230-M240 HydrophobicContact CB-CB 4.33Å
231	S	83.4	Confident	89.2	Confident	97 Å²	97	45.5 Å²	45.5	68%	0.678	26%	0.255	S	S	*	.	H	α-helix	trans	-62.6	-37.3	176.4	58.5	0	0	0	0	112.9	Y229	Y229-S231 VanDerWaalsContact C-N 3.33Å; Y229-S231 PolarHBondContact O-N 3.37Å
232	K	84.2	Confident	89	Confident	139 Å²	139	50.9 Å²	50.9	60%	0.604	28%	0.28	S	S	*	.	H	α-helix	trans	-70.9	-35.5	179.1	-67.4	178.6	179	170.1	0	113	Y229 A230	Y229-K232 HydrophobicContact CD1-CD 4.22Å; Y229-K232 WeakPolarHBondContact O-CB 3.25Å; Y229-K232 PolarHBondContact O-N 3.04Å; A230-K232 VanDerWaalsContact C-N 3.34Å; A230-K232 PolarHBondContact O-N 3.01Å
233	F	86	Confident	88.9	Confident	65 Å²	65	54.6 Å²	54.6	29%	0.285	29%	0.294	S	S	.	.	H	α-helix	trans	-92.4	-3.5	178.5	-75.3	-75.9	0	0	0	113.7	Y229 A230 V235 M240 F250 W257 F274	Y229-F233 WeakPolarHBondContact O-CD2 3.3Å; Y229-F233 PolarHBondContact O-N 3.13Å; A230-F233 PolarHBondContact O-N 3.1Å; F233-V235 VanDerWaalsContact C-N 3.28Å; F233-V235 HydrophobicContact CB-CG2 3.98Å; F233-V235 PolarHBondContact O-N 2.81Å; F233-M240 HydrophobicContact CD2-CE 3.94Å; F233-M240 HydrophobicContact CD2-SD 4Å; F233-M240 HydrophobicContact CE2-CE 4.06Å; F233-F250 HydrophobicContact CE1-CD2 4.44Å; F233-F250 AromaticContact CE1-CE2 3.66Å; F233-F250 HydrophobicContact CE1-CE2 3.66Å; F233-F250 AromaticContact CE1-CZ 3.81Å; F233-F250 HydrophobicContact CE1-CZ 3.81Å; F233-F250 HydrophobicContact CZ-CE2 4.1Å; F233-F250 AromaticContact CZ-CZ 3.99Å; F233-F250 HydrophobicContact CZ-CZ 3.99Å; F233-W257 AromaticContact CE1-NE1 3.99Å; F233-W257 HydrophobicContact CZ-CZ2 4.5Å; F233-F274 AromaticContact CE2-CE1 3.78Å; F233-F274 HydrophobicContact CE2-CE1 3.78Å; F233-F274 AromaticContact CE2-CZ 3.88Å; F233-F274 HydrophobicContact CE2-CZ 3.88Å; F233-F274 AromaticContact CZ-CE1 3.7Å; F233-F274 HydrophobicContact CZ-CE1 3.7Å; F233-F274 HydrophobicContact CZ-CE2 4.49Å; F233-F274 AromaticContact CZ-CZ 3.5Å; F233-F274 HydrophobicContact CZ-CZ 3.5Å
234	G	84.7	Confident	89.1	Confident	70 Å²	70	53.9 Å²	53.9	72%	0.722	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.2	33	-177.4	0	0	0	0	0	113.1	A230	A230-G234 PolarHBondContact O-N 2.84Å
235	V	87.7	Confident	89.4	Confident	33 Å²	33	54 Å²	54	20%	0.2	29%	0.288	C	S	.	.			trans	-118.9	158.4	178.7	-64.6	0	0	0	0	110.9	A230 F233 M240	A230-V235 CarbonylContact C-O 3.47Å; A230-V235 VanDerWaalsContact CB-O 3.3Å; A230-V235 WeakPolarHBondContact CB-O 3.44Å; A230-V235 PolarHBondContact O-N 3.46Å; F233-V235 VanDerWaalsContact C-N 3.28Å; F233-V235 HydrophobicContact CB-CG2 3.98Å; F233-V235 PolarHBondContact O-N 2.81Å; V235-M240 HydrophobicContact CG2-CB 3.94Å; V235-M240 HydrophobicContact CG2-CG 4.46Å; V235-M240 HydrophobicContact CG2-SD 3.99Å
236	V	88.3	Confident	89.5	Confident	96 Å²	96	55 Å²	55	58%	0.582	30%	0.299	S	S	*	.			trans	-70.1	147.1	173	-176.6	0	0	0	0	109.6	S238 K239 M240	V236-S238 VanDerWaalsContact C-N 3.31Å; V236-S238 PolarHBondContact O-N 2.93Å; V236-K239 PolarHBondContact O-N 3.09Å; V236-K239 VanDerWaalsContact O-N 3.11Å; V236-M240 PolarHBondContact O-N 3.06Å
237	E	88.4	Confident	89.6	Confident	64 Å²	64	60 Å²	60	30%	0.299	32%	0.323	S	S	.	.	H	α-helix	trans	-50.2	-46.3	-179.4	-68.9	173.6	-154.6	0	0	113	K227 A230 K239 M240 M241	K227-E237 HydrophobicContact CG-CG 4.34Å; K227-E237 WeakPolarHBondContact CG-OE2 3.44Å; A230-E237 HydrophobicContact CB-CG 3.92Å; E237-K239 PolarHBondContact O-N 2.91Å; E237-M240 CarbonylContact O-C 3.48Å; E237-M240 WeakPolarHBondContact O-CA 3.38Å; E237-M240 WeakPolarHBondContact O-CB 3.29Å; E237-M240 PolarHBondContact O-N 3.11Å; E237-M241 WeakPolarHBondContact O-CG 3.31Å; E237-M241 PolarHBondContact O-N 2.94Å
238	S	88.2	Confident	89.9	Confident	66 Å²	66	59.9 Å²	59.9	46%	0.462	32%	0.324	S	S	.	.	H	α-helix	trans	-58.6	-45.6	178.4	54.6	0	0	0	0	113	V236 M240 M241 E242	V236-S238 VanDerWaalsContact C-N 3.31Å; V236-S238 PolarHBondContact O-N 2.93Å; S238-M240 VanDerWaalsContact C-N 3.26Å; S238-M240 PolarHBondContact O-N 3.03Å; S238-M241 WeakPolarHBondContact O-CB 3.31Å; S238-M241 PolarHBondContact O-N 3.2Å; S238-E242 PolarHBondContact O-N 2.8Å; S238-E242 VanDerWaalsContact O-N 3.1Å
239	K	89.8	Confident	90.4	Very high	123 Å²	123	57.3 Å²	57.3	54%	0.535	31%	0.312	S	S	.	.	H	α-helix	trans	-66.1	-29.6	175.5	-68.4	-172.8	176.8	-177.1	0	112.4	V236 E237 R243	V236-K239 PolarHBondContact O-N 3.09Å; V236-K239 VanDerWaalsContact O-N 3.11Å; E237-K239 PolarHBondContact O-N 2.91Å; K239-R243 WeakPolarHBondContact O-CG 3.37Å; K239-R243 PolarHBondContact O-N 2.85Å
240	M	93.3	Very high	90.6	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-71.2	-40.9	174	-168.6	65.7	-159.8	0	0	110.7	A226 Y229 A230 F233 V235 V236 E237 S238 E242 R243 L244 W257	A226-M240 HydrophobicContact CB-CB 4.04Å; A226-M240 HydrophobicContact CB-CG 4.18Å; Y229-M240 HydrophobicContact CD2-CE 4.44Å; Y229-M240 HydrophobicContact CG-CE 4.31Å; A230-M240 HydrophobicContact CB-CB 4.33Å; F233-M240 HydrophobicContact CD2-CE 3.94Å; F233-M240 HydrophobicContact CD2-SD 4Å; F233-M240 HydrophobicContact CE2-CE 4.06Å; V235-M240 HydrophobicContact CG2-CB 3.94Å; V235-M240 HydrophobicContact CG2-CG 4.46Å; V235-M240 HydrophobicContact CG2-SD 3.99Å; V236-M240 PolarHBondContact O-N 3.06Å; E237-M240 CarbonylContact O-C 3.48Å; E237-M240 WeakPolarHBondContact O-CA 3.38Å; E237-M240 WeakPolarHBondContact O-CB 3.29Å; E237-M240 PolarHBondContact O-N 3.11Å; S238-M240 VanDerWaalsContact C-N 3.26Å; S238-M240 PolarHBondContact O-N 3.03Å; M240-E242 VanDerWaalsContact C-N 3.35Å; M240-E242 PolarHBondContact O-N 3.39Å; M240-R243 WeakPolarHBondContact O-CB 3.4Å; M240-R243 PolarHBondContact O-N 3.31Å; M240-R243 VanDerWaalsContact O-N 3.11Å; M240-L244 HydrophobicContact CE-CD1 4.47Å; M240-L244 HydrophobicContact CE-CD2 3.75Å; M240-L244 HydrophobicContact CE-CG 4.01Å; M240-L244 HydrophobicContact CG-CD1 4.31Å; M240-L244 HydrophobicContact CG-CG 4.45Å; M240-L244 VanDerWaalsContact O-CG 3.3Å; M240-L244 WeakPolarHBondContact O-CG 3.34Å; M240-L244 PolarHBondContact O-N 3.23Å; M240-W257 HydrophobicContact CE-CH2 4.19Å; M240-W257 HydrophobicContact CE-CZ2 3.91Å
241	M	92.4	Very high	90.9	Very high	16 Å²	16	57 Å²	57	8%	0.079	31%	0.31	C	S	.	.	H	α-helix	trans	-58.7	-45.4	175.4	-67.6	176.5	68.7	0	0	111.8	E205 L222 T223 A226 E237 S238 R243 L244 W245	E205-M241 WeakPolarHBondContact O-CE 3.32Å; L222-M241 HydrophobicContact CB-CE 4.3Å; L222-M241 HydrophobicContact CB-CG 4.39Å; T223-M241 HydrophobicContact CG2-SD 4.44Å; T223-M241 WeakPolarHBondContact OG1-CE 3.43Å; A226-M241 HydrophobicContact CB-CG 3.42Å; A226-M241 VanDerWaalsContact CB-CG 3.42Å; E237-M241 WeakPolarHBondContact O-CG 3.31Å; E237-M241 PolarHBondContact O-N 2.94Å; S238-M241 WeakPolarHBondContact O-CB 3.31Å; S238-M241 PolarHBondContact O-N 3.2Å; M241-R243 PolarHBondContact O-N 3.05Å; M241-L244 PolarHBondContact O-N 3.11Å; M241-W245 PolarHBondContact O-N 3.44Å
242	E	93	Very high	91.1	Very high	116 Å²	116	54.9 Å²	54.9	54%	0.542	29%	0.294	S	S	.	.	H	α-helix	trans	-56.2	-39.2	174.3	-71.1	172.7	-173.7	0	0	112.2	S238 M240 L244 N248	S238-E242 PolarHBondContact O-N 2.8Å; S238-E242 VanDerWaalsContact O-N 3.1Å; M240-E242 VanDerWaalsContact C-N 3.35Å; M240-E242 PolarHBondContact O-N 3.39Å; E242-L244 VanDerWaalsContact C-N 3.35Å; E242-N248 PolarHBondContact O-ND2 3.45Å
243	R	93.8	Very high	91.3	Very high	79 Å²	79	52 Å²	52	30%	0.298	30%	0.296	S	S	.	.	H	α-helix	trans	-74.5	-22.8	177.9	-72.9	177.3	177.9	-178.6	1.1	114	K239 M240 M241 W245 N248 W257	K239-R243 WeakPolarHBondContact O-CG 3.37Å; K239-R243 PolarHBondContact O-N 2.85Å; M240-R243 WeakPolarHBondContact O-CB 3.4Å; M240-R243 PolarHBondContact O-N 3.31Å; M240-R243 VanDerWaalsContact O-N 3.11Å; M241-R243 PolarHBondContact O-N 3.05Å; R243-W245 VanDerWaalsContact C-N 3.3Å; R243-N248 WeakPolarHBondContact O-CB 3.39Å; R243-W257 HydrophobicContact CB-CE3 4.17Å; R243-W257 HydrophobicContact CB-CH2 3.88Å; R243-W257 HydrophobicContact CB-CZ2 4.26Å; R243-W257 HydrophobicContact CB-CZ3 3.85Å; R243-W257 HydrophobicContact CG-CD2 4.47Å; R243-W257 HydrophobicContact CG-CE3 4.43Å; R243-W257 VanDerWaalsContact O-CZ3 3.25Å; R243-W257 WeakPolarHBondContact O-CZ3 3.43Å
244	L	95.4	Very high	91.4	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-80.9	-11.2	-179.5	-71.9	174.4	0	0	0	112.5	L222 F225 A226 M240 M241 E242 F271 F274	L222-L244 HydrophobicContact CD1-CB 4.15Å; L222-L244 HydrophobicContact CD2-CB 4.31Å; F225-L244 HydrophobicContact CB-CD1 4Å; A226-L244 HydrophobicContact CB-CD1 4.26Å; M240-L244 HydrophobicContact CE-CD1 4.47Å; M240-L244 HydrophobicContact CE-CD2 3.75Å; M240-L244 HydrophobicContact CE-CG 4.01Å; M240-L244 HydrophobicContact CG-CD1 4.31Å; M240-L244 HydrophobicContact CG-CG 4.45Å; M240-L244 VanDerWaalsContact O-CG 3.3Å; M240-L244 WeakPolarHBondContact O-CG 3.34Å; M240-L244 PolarHBondContact O-N 3.23Å; M241-L244 PolarHBondContact O-N 3.11Å; E242-L244 VanDerWaalsContact C-N 3.35Å; L244-F271 WeakPolarHBondContact O-CA 3.34Å; L244-F271 WeakPolarHBondContact O-CB 3.38Å; L244-F271 PolarHBondContact O-N 2.96Å; L244-F274 HydrophobicContact CD2-CB 3.64Å; L244-F274 HydrophobicContact CD2-CD2 4.06Å; L244-F274 HydrophobicContact CD2-CG 4.16Å
245	W	96.7	Very high	91.4	Very high	25 Å²	25	59.3 Å²	59.3	10%	0.095	31%	0.309	C	S	.	.	S	Bend	trans	-127.9	165.3	178.5	-160.2	-110.1	0	0	0	112.2	Y175 F178 S179 I182 P204 E205 F211 L222 M241 R243 N248 F271	Y175-W245 HydrophobicContact CD2-CE3 4.22Å; Y175-W245 AromaticContact CD2-CH2 3.94Å; Y175-W245 HydrophobicContact CD2-CH2 3.94Å; Y175-W245 AromaticContact CD2-CZ3 3.78Å; Y175-W245 HydrophobicContact CD2-CZ3 3.78Å; Y175-W245 AromaticContact CE2-CD2 3.82Å; Y175-W245 HydrophobicContact CE2-CD2 3.82Å; Y175-W245 AromaticContact CE2-CE2 3.92Å; Y175-W245 AromaticContact CE2-CE3 3.65Å; Y175-W245 HydrophobicContact CE2-CE3 3.65Å; Y175-W245 AromaticContact CE2-CH2 3.72Å; Y175-W245 HydrophobicContact CE2-CH2 3.72Å; Y175-W245 AromaticContact CE2-CZ2 3.88Å; Y175-W245 HydrophobicContact CE2-CZ2 3.88Å; Y175-W245 AromaticContact CE2-CZ3 3.6Å; Y175-W245 HydrophobicContact CE2-CZ3 3.6Å; F178-W245 HydrophobicContact CB-CH2 4.19Å; S179-W245 WeakPolarHBondContact OG-CZ2 3.41Å; I182-W245 HydrophobicContact CD1-CH2 3.88Å; I182-W245 HydrophobicContact CD1-CZ2 3.62Å; P204-W245 HydrophobicContact CB-CD2 3.71Å; P204-W245 HydrophobicContact CB-CE3 3.98Å; P204-W245 HydrophobicContact CB-CG 3.93Å; P204-W245 HydrophobicContact CG-CD2 3.8Å; P204-W245 HydrophobicContact CG-CE3 4.25Å; P204-W245 HydrophobicContact CG-CG 4.24Å; P204-W245 HydrophobicContact CG-CH2 4.28Å; P204-W245 HydrophobicContact CG-CZ2 3.83Å; P204-W245 HydrophobicContact CG-CZ3 4.47Å; E205-W245 HydrophobicContact CB-CB 4.23Å; E205-W245 VanDerWaalsContact OE2-CD1 3.29Å; F211-W245 HydrophobicContact CE1-CH2 4.31Å; F211-W245 HydrophobicContact CE1-CZ3 4.31Å; F211-W245 HydrophobicContact CE2-CZ3 4.15Å; F211-W245 HydrophobicContact CZ-CE3 4.34Å; F211-W245 AromaticContact CZ-CH2 3.71Å; F211-W245 HydrophobicContact CZ-CH2 3.71Å; F211-W245 AromaticContact CZ-CZ3 3.49Å; F211-W245 HydrophobicContact CZ-CZ3 3.49Å; F211-W245 VanDerWaalsContact CZ-CZ3 3.49Å; L222-W245 HydrophobicContact CD1-CB 3.69Å; L222-W245 HydrophobicContact CD1-CD2 4.48Å; L222-W245 HydrophobicContact CD1-CE3 4.21Å; L222-W245 HydrophobicContact CD1-CG 4.3Å; M241-W245 PolarHBondContact O-N 3.44Å; R243-W245 VanDerWaalsContact C-N 3.3Å; W245-N248 PolarHBondContact O-ND2 3.23Å; W245-F271 HydrophobicContact CE3-CB 4.33Å; W245-F271 AromaticContact CE3-CD2 3.81Å; W245-F271 HydrophobicContact CE3-CD2 3.81Å; W245-F271 HydrophobicContact CE3-CE2 4.38Å; W245-F271 HydrophobicContact CE3-CG 4.16Å; W245-F271 HydrophobicContact CZ3-CB 4.5Å; W245-F271 HydrophobicContact CZ3-CD1 4.4Å; W245-F271 AromaticContact CZ3-CD2 3.66Å; W245-F271 HydrophobicContact CZ3-CD2 3.66Å; W245-F271 AromaticContact CZ3-CE2 3.87Å; W245-F271 HydrophobicContact CZ3-CE2 3.87Å; W245-F271 AromaticContact CZ3-CG 3.93Å; W245-F271 HydrophobicContact CZ3-CG 3.93Å; W245-F271 HydrophobicContact CZ3-CZ 4.33Å
246	G	93.8	Very high	91.5	Very high	22 Å²	22	64.7 Å²	64.7	23%	0.227	33%	0.33	C	S	.	.	S	Bend	trans	72.3	-160.1	177.9	0	0	0	0	0	113.7	Y175 N248 R269	Y175-G246 WeakPolarHBondContact OH-CA 3.28Å; Y175-G246 PolarHBondContact OH-N 3.03Å; G246-N248 PolarHBondContact O-N 3.26Å; G246-R269 PolarHBondContact O-NH1 3.44Å
247	E	93.2	Very high	91.6	Very high	106 Å²	106	62.8 Å²	62.8	50%	0.495	31%	0.312	S	S	.	.	S	Bend	trans	-75.3	52.6	-179.3	-65.5	-57.4	118.2	0	0	112.7	F249 G259 R269	E247-F249 HydrophobicContact CB-CE2 4.4Å; E247-F249 WeakPolarHBondContact OE2-CE2 3.47Å; E247-G259 CarbonylContact O-C 3.48Å; E247-G259 VanDerWaalsContact O-C 3.24Å; E247-G259 WeakPolarHBondContact O-CA 3.43Å; E247-R269 IonicContact OE1-CZ 2.81Å; E247-R269 IonicContact OE1-NH1 3.52Å; E247-R269 PolarHBondContact OE1-NH1 3.04Å; E247-R269 IonicContact OE1-NH2 3.92Å; E247-R269 PolarHBondContact OE1-NH2 3.24Å; E247-R269 VanDerWaalsContact OE1-NH2 3.13Å; E247-R269 IonicContact OE2-NH1 3.9Å; E247-R269 IonicContact OE2-NH2 3.41Å
248	N	94.2	Very high	91.7	Very high	48 Å²	48	61.4 Å²	61.4	26%	0.257	31%	0.309	S	S	.	.			trans	-115.2	119.7	177.2	-71.6	-67	0	0	0	109.6	E242 R243 W245 G246 W257 R269 G270	E242-N248 PolarHBondContact O-ND2 3.45Å; R243-N248 WeakPolarHBondContact O-CB 3.39Å; W245-N248 PolarHBondContact O-ND2 3.23Å; G246-N248 PolarHBondContact O-N 3.26Å; N248-W257 HydrophobicContact CB-CE3 4.4Å; N248-W257 HydrophobicContact CB-CZ3 4.35Å; N248-R269 CarbonylContact O-C 3.53Å; N248-R269 WeakPolarHBondContact O-CA 3.42Å; N248-G270 PolarHBondContact O-N 3.46Å
249	F	95.4	Very high	91.7	Very high	6 Å²	6	61 Å²	61	3%	0.026	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	142.9	-177.3	-60	-98.3	0	0	0	110.3	E247 W257 S258 N261 K268 R269	E247-F249 HydrophobicContact CB-CE2 4.4Å; E247-F249 WeakPolarHBondContact OE2-CE2 3.47Å; F249-W257 CarbonylContact O-C 3.6Å; F249-W257 VanDerWaalsContact O-CA 3.26Å; F249-W257 WeakPolarHBondContact O-CA 3.45Å; F249-S258 PolarHBondContact N-O 3.05Å; F249-S258 PolarHBondContact O-N 2.83Å; F249-N261 HydrophobicContact CD1-CB 3.92Å; F249-N261 HydrophobicContact CE1-CB 3.8Å; F249-N261 HydrophobicContact CG-CB 4.44Å; F249-N261 HydrophobicContact CZ-CB 4.18Å; F249-K268 CarbonylContact C-O 3.39Å; F249-K268 WeakPolarHBondContact CA-O 3.41Å; F249-R269 HydrophobicContact CD1-CB 4Å; F249-R269 HydrophobicContact CE1-CB 3.89Å; F249-R269 HydrophobicContact CE1-CG 4.43Å
250	F	93.8	Very high	91.7	Very high	13 Å²	13	62.3 Å²	62.3	6%	0.057	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	132.8	177.8	-178.7	-101.4	0	0	0	110.4	F233 P252 R255 W257 K268 Q273 F274	F233-F250 HydrophobicContact CE1-CD2 4.44Å; F233-F250 AromaticContact CE1-CE2 3.66Å; F233-F250 HydrophobicContact CE1-CE2 3.66Å; F233-F250 AromaticContact CE1-CZ 3.81Å; F233-F250 HydrophobicContact CE1-CZ 3.81Å; F233-F250 HydrophobicContact CZ-CE2 4.1Å; F233-F250 AromaticContact CZ-CZ 3.99Å; F233-F250 HydrophobicContact CZ-CZ 3.99Å; F250-P252 HydrophobicContact CD1-CG 4.07Å; F250-P252 HydrophobicContact CE1-CB 4.18Å; F250-P252 HydrophobicContact CE1-CG 3.98Å; F250-R255 HydrophobicContact CZ-CB 4.4Å; F250-W257 HydrophobicContact CB-CD2 4.16Å; F250-W257 HydrophobicContact CB-CE3 3.97Å; F250-W257 HydrophobicContact CB-CH2 4.13Å; F250-W257 HydrophobicContact CB-CZ2 4.28Å; F250-W257 HydrophobicContact CB-CZ3 3.95Å; F250-W257 AromaticContact CD2-CD1 3.9Å; F250-W257 AromaticContact CD2-CD2 3.89Å; F250-W257 HydrophobicContact CD2-CD2 3.89Å; F250-W257 AromaticContact CD2-CE2 3.61Å; F250-W257 HydrophobicContact CD2-CG 4.09Å; F250-W257 HydrophobicContact CD2-CZ2 4.09Å; F250-W257 AromaticContact CD2-NE1 3.59Å; F250-W257 AromaticContact CE2-NE1 3.94Å; F250-W257 HydrophobicContact CG-CD2 4.49Å; F250-W257 HydrophobicContact CG-CZ2 4.37Å; F250-K268 PolarHBondContact N-O 3.02Å; F250-K268 PolarHBondContact O-N 2.87Å; F250-K268 VanDerWaalsContact O-N 3.08Å; F250-Q273 HydrophobicContact CD1-CG 4.24Å; F250-F274 HydrophobicContact CB-CE2 3.67Å; F250-F274 HydrophobicContact CB-CZ 4.12Å; F250-F274 HydrophobicContact CD1-CE1 4.39Å; F250-F274 AromaticContact CD1-CE2 3.81Å; F250-F274 HydrophobicContact CD1-CE2 3.81Å; F250-F274 AromaticContact CD1-CZ 3.35Å; F250-F274 HydrophobicContact CD1-CZ 3.35Å; F250-F274 HydrophobicContact CD2-CE2 4.46Å; F250-F274 HydrophobicContact CD2-CZ 4.25Å; F250-F274 HydrophobicContact CE1-CE1 4.46Å; F250-F274 AromaticContact CE1-CZ 3.69Å; F250-F274 HydrophobicContact CE1-CZ 3.69Å; F250-F274 AromaticContact CG-CE2 3.72Å; F250-F274 HydrophobicContact CG-CE2 3.72Å; F250-F274 AromaticContact CG-CZ 3.64Å; F250-F274 HydrophobicContact CG-CZ 3.64Å; F250-F274 HydrophobicContact CZ-CZ 4.28Å
251	D	92.3	Very high	91.3	Very high	12 Å²	12	66.4 Å²	66.4	6%	0.064	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	110.5	172.4	-174.2	-12.9	0	0	0	109.9	A253 T254 R255 K256 S264 T266 C267	D251-A253 PolarHBondContact O-N 2.88Å; D251-A253 VanDerWaalsContact OD1-CB 3.28Å; D251-A253 WeakPolarHBondContact OD1-CB 3.47Å; D251-A253 PolarHBondContact OD1-N 3.03Å; D251-T254 PolarHBondContact O-N 3.38Å; D251-R255 VanDerWaalsContact O-CA 3.27Å; D251-R255 WeakPolarHBondContact O-CA 3.3Å; D251-R255 PolarHBondContact O-N 2.61Å; D251-K256 PolarHBondContact N-O 3Å; D251-K256 VanDerWaalsContact N-O 3.14Å; D251-S264 PolarHBondContact OD2-OG 3.5Å; D251-T266 VanDerWaalsContact CG-OG1 3.28Å; D251-T266 WeakPolarHBondContact OD1-CB 3.39Å; D251-T266 PolarHBondContact OD1-OG1 2.79Å; D251-T266 PolarHBondContact OD2-OG1 3.03Å; D251-C267 HydrophobicContact CB-CB 4.1Å
252	P	88	Confident	91	Very high	53 Å²	53	69.4 Å²	69.4	34%	0.344	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-27.6	177.1	-23.7	33.9	0	0	0	114.2	F250 T266	F250-P252 HydrophobicContact CD1-CG 4.07Å; F250-P252 HydrophobicContact CE1-CB 4.18Å; F250-P252 HydrophobicContact CE1-CG 3.98Å; P252-T266 WeakPolarHBondContact CD-O 3.49Å
253	A	89.1	Confident	90.4	Very high	79 Å²	79	67 Å²	67	65%	0.653	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-39.5	-178.7	0	0	0	0	0	111.5	D251	D251-A253 PolarHBondContact O-N 2.88Å; D251-A253 VanDerWaalsContact OD1-CB 3.28Å; D251-A253 WeakPolarHBondContact OD1-CB 3.47Å; D251-A253 PolarHBondContact OD1-N 3.03Å
254	T	87.3	Confident	90.1	Very high	80 Å²	80	65.1 Å²	65.1	49%	0.491	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-12.9	178.6	65	0	0	0	0	113.3	D251 K256	D251-T254 PolarHBondContact O-N 3.38Å; T254-K256 PolarHBondContact O-N 2.84Å; T254-K256 PolarHBondContact OG1-N 2.81Å
255	R	86.1	Confident	89.4	Confident	208 Å²	208	71 Å²	71	79%	0.785	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	29.6	-170.9	-57.9	-177.7	178.8	-176.2	-0.2	113.4	F250 D251	F250-R255 HydrophobicContact CZ-CB 4.4Å; D251-R255 VanDerWaalsContact O-CA 3.27Å; D251-R255 WeakPolarHBondContact O-CA 3.3Å; D251-R255 PolarHBondContact O-N 2.61Å
256	K	88.4	Confident	88.9	Confident	146 Å²	146	72.8 Å²	72.8	64%	0.635	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.7	144.8	-178.7	-69.2	-179.1	-179.2	-178.7	0	111.4	D251 T254	D251-K256 PolarHBondContact N-O 3Å; D251-K256 VanDerWaalsContact N-O 3.14Å; T254-K256 PolarHBondContact O-N 2.84Å; T254-K256 PolarHBondContact OG1-N 2.81Å
257	W	90.5	Very high	88.7	Confident	56 Å²	56	72.1 Å²	72.1	21%	0.212	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	142.4	167.5	-70.3	90.2	0	0	0	109.8	F233 M240 R243 N248 F249 F250 F274	F233-W257 AromaticContact CE1-NE1 3.99Å; F233-W257 HydrophobicContact CZ-CZ2 4.5Å; M240-W257 HydrophobicContact CE-CH2 4.19Å; M240-W257 HydrophobicContact CE-CZ2 3.91Å; R243-W257 HydrophobicContact CB-CE3 4.17Å; R243-W257 HydrophobicContact CB-CH2 3.88Å; R243-W257 HydrophobicContact CB-CZ2 4.26Å; R243-W257 HydrophobicContact CB-CZ3 3.85Å; R243-W257 HydrophobicContact CG-CD2 4.47Å; R243-W257 HydrophobicContact CG-CE3 4.43Å; R243-W257 VanDerWaalsContact O-CZ3 3.25Å; R243-W257 WeakPolarHBondContact O-CZ3 3.43Å; N248-W257 HydrophobicContact CB-CE3 4.4Å; N248-W257 HydrophobicContact CB-CZ3 4.35Å; F249-W257 CarbonylContact O-C 3.6Å; F249-W257 VanDerWaalsContact O-CA 3.26Å; F249-W257 WeakPolarHBondContact O-CA 3.45Å; F250-W257 HydrophobicContact CB-CD2 4.16Å; F250-W257 HydrophobicContact CB-CE3 3.97Å; F250-W257 HydrophobicContact CB-CH2 4.13Å; F250-W257 HydrophobicContact CB-CZ2 4.28Å; F250-W257 HydrophobicContact CB-CZ3 3.95Å; F250-W257 AromaticContact CD2-CD1 3.9Å; F250-W257 AromaticContact CD2-CD2 3.89Å; F250-W257 HydrophobicContact CD2-CD2 3.89Å; F250-W257 AromaticContact CD2-CE2 3.61Å; F250-W257 HydrophobicContact CD2-CG 4.09Å; F250-W257 HydrophobicContact CD2-CZ2 4.09Å; F250-W257 AromaticContact CD2-NE1 3.59Å; F250-W257 AromaticContact CE2-NE1 3.94Å; F250-W257 HydrophobicContact CG-CD2 4.49Å; F250-W257 HydrophobicContact CG-CZ2 4.37Å; W257-F274 AromaticContact CH2-CD2 3.75Å; W257-F274 HydrophobicContact CH2-CD2 3.75Å; W257-F274 AromaticContact CH2-CE2 3.33Å; W257-F274 HydrophobicContact CH2-CE2 3.33Å; W257-F274 HydrophobicContact CH2-CZ 4.32Å; W257-F274 HydrophobicContact CZ2-CD2 4.25Å; W257-F274 AromaticContact CZ2-CE2 3.51Å; W257-F274 HydrophobicContact CZ2-CE2 3.51Å; W257-F274 HydrophobicContact CZ2-CZ 4.08Å; W257-F274 HydrophobicContact CZ3-CE2 4.26Å
258	S	89.9	Confident	88.7	Confident	34 Å²	34	70.5 Å²	70.5	24%	0.238	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	145.4	179.4	176.1	0	0	0	0	110.1	F249 K260	F249-S258 PolarHBondContact N-O 3.05Å; F249-S258 PolarHBondContact O-N 2.83Å; S258-K260 WeakPolarHBondContact CB-O 3.05Å; S258-K260 PolarHBondContact O-N 3.01Å; S258-K260 PolarHBondContact OG-N 3.3Å; S258-K260 PolarHBondContact OG-O 3.11Å
259	G	90	Very high	88.8	Confident	58 Å²	58	68.6 Å²	68.6	60%	0.598	39%	0.393	S	S	*	.	S	Bend	trans	-78.3	3.6	173.5	0	0	0	0	0	114.4	E247	E247-G259 CarbonylContact O-C 3.48Å; E247-G259 VanDerWaalsContact O-C 3.24Å; E247-G259 WeakPolarHBondContact O-CA 3.43Å
260	K	88.1	Confident	88.8	Confident	150 Å²	150	68.3 Å²	68.3	65%	0.652	39%	0.391	S	S	*	.	S	Bend	trans	-152	153.5	178.9	62.4	-178.3	179.6	179.9	0	110.8	S258 T262	S258-K260 WeakPolarHBondContact CB-O 3.05Å; S258-K260 PolarHBondContact O-N 3.01Å; S258-K260 PolarHBondContact OG-N 3.3Å; S258-K260 PolarHBondContact OG-O 3.11Å; K260-T262 PolarHBondContact O-N 3.3Å
261	N	85.2	Confident	88.9	Confident	86 Å²	86	67.7 Å²	67.7	46%	0.46	39%	0.389	S	S	.	.			trans	-62.7	123.3	170.2	-167.7	-29.3	0	0	0	109.6	F249 G263	F249-N261 HydrophobicContact CD1-CB 3.92Å; F249-N261 HydrophobicContact CE1-CB 3.8Å; F249-N261 HydrophobicContact CG-CB 4.44Å; F249-N261 HydrophobicContact CZ-CB 4.18Å; N261-G263 PolarHBondContact O-N 3.05Å; N261-G263 PolarHBondContact OD1-N 2.85Å
262	T	85.9	Confident	89.1	Confident	80 Å²	80	67.5 Å²	67.5	49%	0.491	39%	0.388	S	S	.	.			trans	-77.9	-6	-178.9	55.4	0	0	0	0	113.8	K260 S264 C267	K260-T262 PolarHBondContact O-N 3.3Å; T262-S264 PolarHBondContact O-N 2.89Å; T262-C267 WeakPolarHBondContact OG1-CB 3.48Å; T262-C267 PolarHBondContact OG1-SG 2.8Å
263	G	82.2	Confident	89.4	Confident	66 Å²	66	67.2 Å²	67.2	68%	0.68	38%	0.382	S	S	*	.	S	Bend	trans	80.2	-10.6	-173.1	0	0	0	0	0	114.2	N261	N261-G263 PolarHBondContact O-N 3.05Å; N261-G263 PolarHBondContact OD1-N 2.85Å
264	S	85.9	Confident	89.6	Confident	38 Å²	38	64.2 Å²	64.2	27%	0.266	35%	0.354	S	S	.	.			trans	-60.3	133.6	171	176.8	0	0	0	0	110.7	D251 T262 T266 C267	D251-S264 PolarHBondContact OD2-OG 3.5Å; T262-S264 PolarHBondContact O-N 2.89Å; S264-T266 PolarHBondContact O-N 2.93Å; S264-T266 PolarHBondContact OG-N 3.09Å; S264-T266 PolarHBondContact OG-OG1 2.81Å; S264-C267 WeakPolarHBondContact O-CB 3.18Å; S264-C267 PolarHBondContact O-N 2.81Å
265	P	82.2	Confident	90	Very high	125 Å²	125	60.4 Å²	60.4	81%	0.812	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-22.7	177.3	-25.1	33.7	0	0	0	114.5
266	T	85.5	Confident	90.5	Very high	63 Å²	63	50.5 Å²	50.5	39%	0.387	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-11.6	178.6	53.6	0	0	0	0	113.3	D251 P252 S264 K268	D251-T266 VanDerWaalsContact CG-OG1 3.28Å; D251-T266 WeakPolarHBondContact OD1-CB 3.39Å; D251-T266 PolarHBondContact OD1-OG1 2.79Å; D251-T266 PolarHBondContact OD2-OG1 3.03Å; P252-T266 WeakPolarHBondContact CD-O 3.49Å; S264-T266 PolarHBondContact O-N 2.93Å; S264-T266 PolarHBondContact OG-N 3.09Å; S264-T266 PolarHBondContact OG-OG1 2.81Å; T266-K268 PolarHBondContact O-N 2.8Å
267	C	90.5	Very high	90.8	Very high	7 Å²	7	45.6 Å²	45.6	5%	0.047	27%	0.272	C	S	.	.			trans	-83.2	109	-179.2	-171	0	0	0	0	110.1	D251 T262 S264	D251-C267 HydrophobicContact CB-CB 4.1Å; T262-C267 WeakPolarHBondContact OG1-CB 3.48Å; T262-C267 PolarHBondContact OG1-SG 2.8Å; S264-C267 WeakPolarHBondContact O-CB 3.18Å; S264-C267 PolarHBondContact O-N 2.81Å
268	K	93	Very high	91	Very high	73 Å²	73	44 Å²	44	32%	0.317	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	153.6	-178.9	-69.7	-171.8	177.9	-177.3	0	110.5	F249 F250 T266 V272 Q273 E277	F249-K268 CarbonylContact C-O 3.39Å; F249-K268 WeakPolarHBondContact CA-O 3.41Å; F250-K268 PolarHBondContact N-O 3.02Å; F250-K268 PolarHBondContact O-N 2.87Å; F250-K268 VanDerWaalsContact O-N 3.08Å; T266-K268 PolarHBondContact O-N 2.8Å; K268-V272 HydrophobicContact CD-CG1 4.3Å; K268-Q273 HydrophobicContact CB-CB 4.09Å; K268-E277 IonicContact NZ-OE2 3.81Å; K268-E277 PolarHBondContact NZ-OE2 3.18Å
269	R	95.6	Very high	91.3	Very high	8 Å²	8	42.4 Å²	42.4	3%	0.03	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	145.3	173.8	-171.6	179.4	-61.5	-89.6	6.1	110.7	E172 Y175 G246 E247 N248 F249 F271 V272 Q273	E172-R269 IonicContact OE1-CZ 3.71Å; E172-R269 IonicContact OE1-NE 3.79Å; E172-R269 PolarHBondContact OE1-NE 3.02Å; E172-R269 VanDerWaalsContact OE1-NE 3.16Å; E172-R269 IonicContact OE1-NH2 3.38Å; E172-R269 PolarHBondContact OE1-NH2 3.23Å; E172-R269 IonicContact OE2-CZ 2.81Å; E172-R269 IonicContact OE2-NE 3.37Å; E172-R269 PolarHBondContact OE2-NE 3.21Å; E172-R269 IonicContact OE2-NH2 3.86Å; Y175-R269 VanDerWaalsContact CD1-NE 3.29Å; Y175-R269 VanDerWaalsContact CD2-CD 3.5Å; Y175-R269 VanDerWaalsContact CE1-CD 3.41Å; Y175-R269 VanDerWaalsContact CE1-NE 3.34Å; Y175-R269 VanDerWaalsContact CE2-CD 3.49Å; Y175-R269 VanDerWaalsContact CG-CD 3.43Å; Y175-R269 VanDerWaalsContact CZ-CD 3.48Å; G246-R269 PolarHBondContact O-NH1 3.44Å; E247-R269 IonicContact OE1-CZ 2.81Å; E247-R269 IonicContact OE1-NH1 3.52Å; E247-R269 PolarHBondContact OE1-NH1 3.04Å; E247-R269 IonicContact OE1-NH2 3.92Å; E247-R269 PolarHBondContact OE1-NH2 3.24Å; E247-R269 VanDerWaalsContact OE1-NH2 3.13Å; E247-R269 IonicContact OE2-NH1 3.9Å; E247-R269 IonicContact OE2-NH2 3.41Å; N248-R269 CarbonylContact O-C 3.53Å; N248-R269 WeakPolarHBondContact O-CA 3.42Å; F249-R269 HydrophobicContact CD1-CB 4Å; F249-R269 HydrophobicContact CE1-CB 3.89Å; F249-R269 HydrophobicContact CE1-CG 4.43Å; R269-F271 PolarHBondContact O-N 2.91Å; R269-V272 HydrophobicContact CB-CB 4.22Å; R269-V272 HydrophobicContact CB-CG2 3.95Å; R269-V272 WeakPolarHBondContact O-CB 3.13Å; R269-V272 PolarHBondContact O-N 3.25Å; R269-Q273 WeakPolarHBondContact O-CB 3.32Å; R269-Q273 PolarHBondContact O-N 3.1Å
270	G	95	Very high	91.5	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-53.9	-51.6	-176.9	0	0	0	0	0	112.4	N248 V272 Q273 F274	N248-G270 PolarHBondContact O-N 3.46Å; G270-V272 VanDerWaalsContact C-N 3.29Å; G270-V272 PolarHBondContact O-N 3.49Å; G270-Q273 PolarHBondContact O-N 3.01Å; G270-F274 WeakPolarHBondContact O-CB 3.47Å; G270-F274 VanDerWaalsContact O-CD2 3.3Å; G270-F274 WeakPolarHBondContact O-CD2 3.43Å; G270-F274 PolarHBondContact O-N 2.75Å
271	F	96.7	Very high	91.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-52.8	-48	174.5	-177	-102.9	0	0	0	112.1	Y175 F178 F211 F220 L222 L244 W245 R269 C275 Y276	Y175-F271 HydrophobicContact CD2-CB 3.78Å; Y175-F271 AromaticContact CD2-CD1 3.77Å; Y175-F271 HydrophobicContact CD2-CD1 3.77Å; Y175-F271 AromaticContact CD2-CG 3.93Å; Y175-F271 HydrophobicContact CD2-CG 3.93Å; Y175-F271 HydrophobicContact CE2-CB 4.15Å; Y175-F271 HydrophobicContact CG-CD1 4.47Å; F178-F271 AromaticContact CD2-CE1 3.8Å; F178-F271 HydrophobicContact CD2-CE1 3.8Å; F178-F271 AromaticContact CD2-CZ 3.89Å; F178-F271 HydrophobicContact CD2-CZ 3.89Å; F178-F271 AromaticContact CE2-CE1 3.88Å; F178-F271 HydrophobicContact CE2-CE1 3.88Å; F178-F271 HydrophobicContact CE2-CZ 4.01Å; F211-F271 HydrophobicContact CD1-CZ 4.37Å; F211-F271 HydrophobicContact CD2-CE2 4.17Å; F211-F271 HydrophobicContact CE1-CE2 4.42Å; F211-F271 HydrophobicContact CE1-CZ 4.24Å; F211-F271 AromaticContact CE2-CE2 3.9Å; F211-F271 HydrophobicContact CE2-CE2 3.9Å; F211-F271 HydrophobicContact CE2-CZ 4.49Å; F211-F271 HydrophobicContact CZ-CE2 4.04Å; F211-F271 HydrophobicContact CZ-CZ 4.31Å; F220-F271 AromaticContact CE2-CE2 3.99Å; F220-F271 HydrophobicContact CE2-CE2 3.99Å; F220-F271 HydrophobicContact CZ-CE2 4.02Å; F220-F271 HydrophobicContact CZ-CZ 4.13Å; L222-F271 HydrophobicContact CD2-CD2 3.97Å; L222-F271 HydrophobicContact CD2-CE2 4.17Å; L244-F271 WeakPolarHBondContact O-CA 3.34Å; L244-F271 WeakPolarHBondContact O-CB 3.38Å; L244-F271 PolarHBondContact O-N 2.96Å; W245-F271 HydrophobicContact CE3-CB 4.33Å; W245-F271 AromaticContact CE3-CD2 3.81Å; W245-F271 HydrophobicContact CE3-CD2 3.81Å; W245-F271 HydrophobicContact CE3-CE2 4.38Å; W245-F271 HydrophobicContact CE3-CG 4.16Å; W245-F271 HydrophobicContact CZ3-CB 4.5Å; W245-F271 HydrophobicContact CZ3-CD1 4.4Å; W245-F271 AromaticContact CZ3-CD2 3.66Å; W245-F271 HydrophobicContact CZ3-CD2 3.66Å; W245-F271 AromaticContact CZ3-CE2 3.87Å; W245-F271 HydrophobicContact CZ3-CE2 3.87Å; W245-F271 AromaticContact CZ3-CG 3.93Å; W245-F271 HydrophobicContact CZ3-CG 3.93Å; W245-F271 HydrophobicContact CZ3-CZ 4.33Å; R269-F271 PolarHBondContact O-N 2.91Å; F271-C275 HydrophobicContact CD2-CB 4.03Å; F271-C275 HydrophobicContact CE2-CB 4.05Å; F271-C275 WeakPolarHBondContact O-CA 3.45Å; F271-C275 VanDerWaalsContact O-CB 3.24Å; F271-C275 WeakPolarHBondContact O-CB 3.23Å; F271-C275 PolarHBondContact O-N 2.72Å; F271-Y276 HydrophobicContact CE1-CD2 4.37Å; F271-Y276 PolarHBondContact O-N 3.42Å
272	V	96.2	Very high	92.3	Very high	7 Å²	7	35.6 Å²	35.6	4%	0.042	21%	0.21	C	C	.	.	I	π-helix	trans	-65.2	-49.5	-176.4	176.7	0	0	0	0	111	G171 K268 R269 G270 E277	G171-V272 VanDerWaalsContact C-CG2 3.46Å; G171-V272 WeakPolarHBondContact O-CG2 3.29Å; K268-V272 HydrophobicContact CD-CG1 4.3Å; R269-V272 HydrophobicContact CB-CB 4.22Å; R269-V272 HydrophobicContact CB-CG2 3.95Å; R269-V272 WeakPolarHBondContact O-CB 3.13Å; R269-V272 PolarHBondContact O-N 3.25Å; G270-V272 VanDerWaalsContact C-N 3.29Å; G270-V272 PolarHBondContact O-N 3.49Å; V272-E277 WeakPolarHBondContact O-CB 3.49Å; V272-E277 PolarHBondContact O-N 3.43Å
273	Q	94.2	Very high	92.7	Very high	47 Å²	47	32 Å²	32	22%	0.22	19%	0.187	C	C	.	.	I	π-helix	trans	-67.4	-39.4	-176.1	179.8	60.3	25.5	0	0	113.1	F250 K268 R269 G270	F250-Q273 HydrophobicContact CD1-CG 4.24Å; K268-Q273 HydrophobicContact CB-CB 4.09Å; R269-Q273 WeakPolarHBondContact O-CB 3.32Å; R269-Q273 PolarHBondContact O-N 3.1Å; G270-Q273 PolarHBondContact O-N 3.01Å
274	F	94.3	Very high	93.2	Very high	16 Å²	16	30.8 Å²	30.8	7%	0.07	17%	0.171	C	C	.	.	I	π-helix	trans	-107.7	-20.3	-168.2	-65.7	-69	0	0	0	114.3	F225 Y229 F233 L244 F250 W257 G270	F225-F274 WeakPolarHBondContact CD1-O 3.37Å; F225-F274 WeakPolarHBondContact CE1-O 3.48Å; Y229-F274 HydrophobicContact CD1-CD1 4.36Å; Y229-F274 HydrophobicContact CD2-CB 4.14Å; Y229-F274 HydrophobicContact CD2-CD1 4.42Å; Y229-F274 HydrophobicContact CE1-CD1 4.12Å; Y229-F274 HydrophobicContact CE2-CB 3.67Å; Y229-F274 HydrophobicContact CE2-CD1 4.16Å; Y229-F274 HydrophobicContact CE2-CG 4.32Å; Y229-F274 VanDerWaalsContact CE2-O 3.32Å; Y229-F274 WeakPolarHBondContact CE2-O 3.47Å; Y229-F274 PolarHBondContact OH-O 3.38Å; Y229-F274 VanDerWaalsContact OH-O 3.09Å; F233-F274 AromaticContact CE2-CE1 3.78Å; F233-F274 HydrophobicContact CE2-CE1 3.78Å; F233-F274 AromaticContact CE2-CZ 3.88Å; F233-F274 HydrophobicContact CE2-CZ 3.88Å; F233-F274 AromaticContact CZ-CE1 3.7Å; F233-F274 HydrophobicContact CZ-CE1 3.7Å; F233-F274 HydrophobicContact CZ-CE2 4.49Å; F233-F274 AromaticContact CZ-CZ 3.5Å; F233-F274 HydrophobicContact CZ-CZ 3.5Å; L244-F274 HydrophobicContact CD2-CB 3.64Å; L244-F274 HydrophobicContact CD2-CD2 4.06Å; L244-F274 HydrophobicContact CD2-CG 4.16Å; F250-F274 HydrophobicContact CB-CE2 3.67Å; F250-F274 HydrophobicContact CB-CZ 4.12Å; F250-F274 HydrophobicContact CD1-CE1 4.39Å; F250-F274 AromaticContact CD1-CE2 3.81Å; F250-F274 HydrophobicContact CD1-CE2 3.81Å; F250-F274 AromaticContact CD1-CZ 3.35Å; F250-F274 HydrophobicContact CD1-CZ 3.35Å; F250-F274 HydrophobicContact CD2-CE2 4.46Å; F250-F274 HydrophobicContact CD2-CZ 4.25Å; F250-F274 HydrophobicContact CE1-CE1 4.46Å; F250-F274 AromaticContact CE1-CZ 3.69Å; F250-F274 HydrophobicContact CE1-CZ 3.69Å; F250-F274 AromaticContact CG-CE2 3.72Å; F250-F274 HydrophobicContact CG-CE2 3.72Å; F250-F274 AromaticContact CG-CZ 3.64Å; F250-F274 HydrophobicContact CG-CZ 3.64Å; F250-F274 HydrophobicContact CZ-CZ 4.28Å; W257-F274 AromaticContact CH2-CD2 3.75Å; W257-F274 HydrophobicContact CH2-CD2 3.75Å; W257-F274 AromaticContact CH2-CE2 3.33Å; W257-F274 HydrophobicContact CH2-CE2 3.33Å; W257-F274 HydrophobicContact CH2-CZ 4.32Å; W257-F274 HydrophobicContact CZ2-CD2 4.25Å; W257-F274 AromaticContact CZ2-CE2 3.51Å; W257-F274 HydrophobicContact CZ2-CE2 3.51Å; W257-F274 HydrophobicContact CZ2-CZ 4.08Å; W257-F274 HydrophobicContact CZ3-CE2 4.26Å; G270-F274 WeakPolarHBondContact O-CB 3.47Å; G270-F274 VanDerWaalsContact O-CD2 3.3Å; G270-F274 WeakPolarHBondContact O-CD2 3.43Å; G270-F274 PolarHBondContact O-N 2.75Å
275	C	95.7	Very high	93.6	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.161	C	C	.	.	I	π-helix	trans	-113.7	-62.5	179.5	-50.7	0	0	0	0	110.6	F220 F225 F271 P278 I279	F220-C275 HydrophobicContact CE2-CB 4.09Å; F220-C275 HydrophobicContact CZ-CB 4.26Å; F225-C275 HydrophobicContact CD2-CB 4.06Å; F225-C275 HydrophobicContact CE2-CB 3.98Å; F225-C275 HydrophobicContact CG-CB 4.46Å; F225-C275 HydrophobicContact CZ-CB 4.3Å; F271-C275 HydrophobicContact CD2-CB 4.03Å; F271-C275 HydrophobicContact CE2-CB 4.05Å; F271-C275 WeakPolarHBondContact O-CA 3.45Å; F271-C275 VanDerWaalsContact O-CB 3.24Å; F271-C275 WeakPolarHBondContact O-CB 3.23Å; F271-C275 PolarHBondContact O-N 2.72Å; C275-P278 WeakPolarHBondContact O-CD 3.42Å; C275-I279 WeakPolarHBondContact O-CD1 3.32Å; C275-I279 VanDerWaalsContact O-CG1 3.28Å; C275-I279 WeakPolarHBondContact O-CG1 3.36Å; C275-I279 PolarHBondContact O-N 3.15Å
276	Y	96.2	Very high	94.1	Very high	1 Å²	1	23.5 Å²	23.5	0%	0.004	12%	0.123	C	C	.	.	I	π-helix	trans	-67.5	-48.7	-170.5	-171.2	-90.7	0	0	0	113.4	C163 F164 V169 G171 A174 F178 F271 I279 K280	C163-Y276 HydrophobicContact CB-CE2 4.44Å; F164-Y276 HydrophobicContact CD1-CE1 4.49Å; F164-Y276 HydrophobicContact CD1-CE2 4.36Å; F164-Y276 HydrophobicContact CE1-CD1 4.25Å; F164-Y276 AromaticContact CE1-CD2 3.89Å; F164-Y276 HydrophobicContact CE1-CD2 3.89Å; F164-Y276 AromaticContact CE1-CE1 3.82Å; F164-Y276 HydrophobicContact CE1-CE1 3.82Å; F164-Y276 AromaticContact CE1-CE2 3.4Å; F164-Y276 HydrophobicContact CE1-CE2 3.4Å; F164-Y276 VanDerWaalsContact CE1-CE2 3.4Å; F164-Y276 HydrophobicContact CE1-CG 4.28Å; F164-Y276 AromaticContact CE1-CZ 3.36Å; F164-Y276 AromaticContact CZ-CD2 3.8Å; F164-Y276 HydrophobicContact CZ-CD2 3.8Å; F164-Y276 AromaticContact CZ-CE2 3.49Å; F164-Y276 HydrophobicContact CZ-CE2 3.49Å; F164-Y276 VanDerWaalsContact CZ-CE2 3.49Å; F164-Y276 AromaticContact CZ-CZ 3.97Å; V169-Y276 PolarHBondContact O-OH 2.78Å; G171-Y276 VanDerWaalsContact CA-CD1 3.46Å; A174-Y276 HydrophobicContact CB-CD2 4.05Å; A174-Y276 HydrophobicContact CB-CE1 4.44Å; A174-Y276 HydrophobicContact CB-CE2 3.41Å; A174-Y276 VanDerWaalsContact CB-CE2 3.41Å; F178-Y276 HydrophobicContact CE2-CD2 4.3Å; F178-Y276 HydrophobicContact CE2-CE2 4.42Å; F178-Y276 HydrophobicContact CZ-CE2 4.4Å; F271-Y276 HydrophobicContact CE1-CD2 4.37Å; F271-Y276 PolarHBondContact O-N 3.42Å; Y276-I279 PolarHBondContact O-N 2.91Å; Y276-K280 HydrophobicContact CE1-CB 4.48Å; Y276-K280 HydrophobicContact CE1-CD 3.95Å; Y276-K280 WeakPolarHBondContact O-CB 3.26Å; Y276-K280 PolarHBondContact O-N 3.3Å
277	E	94.6	Very high	94.4	Very high	42 Å²	42	24 Å²	24	20%	0.196	12%	0.121	C	C	.	.	H	α-helix	trans	-65.1	-44.5	-176.5	-177.5	75.8	-135	0	0	112.8	K268 V272 I279 K280 Q281	K268-E277 IonicContact NZ-OE2 3.81Å; K268-E277 PolarHBondContact NZ-OE2 3.18Å; V272-E277 WeakPolarHBondContact O-CB 3.49Å; V272-E277 PolarHBondContact O-N 3.43Å; E277-I279 VanDerWaalsContact C-N 3.31Å; E277-I279 PolarHBondContact O-N 2.78Å; E277-K280 PolarHBondContact O-N 2.87Å; E277-Q281 WeakPolarHBondContact O-CB 3.47Å; E277-Q281 VanDerWaalsContact O-CG 3.31Å; E277-Q281 WeakPolarHBondContact O-CG 3.49Å; E277-Q281 PolarHBondContact O-N 2.81Å; E277-Q281 PolarHBondContact OE1-NE2 3.31Å
278	P	94.2	Very high	94.5	Very high	24 Å²	24	28.7 Å²	28.7	16%	0.156	15%	0.146	C	C	.	.	H	α-helix	trans	-56.5	-42.2	171.7	-28.9	37.4	0	0	0	113.5	C275 Q281 I282 W325	C275-P278 WeakPolarHBondContact O-CD 3.42Å; P278-Q281 PolarHBondContact O-N 2.95Å; P278-I282 WeakPolarHBondContact O-CG1 3.34Å; P278-I282 PolarHBondContact O-N 3.43Å; P278-W325 HydrophobicContact CB-CH2 4.15Å
279	I	96.1	Very high	94.2	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-63.3	-49	176.2	-66.8	167.5	0	0	0	110.2	F164 W218 F220 F225 C275 Y276 E277 Q281 I282 I283 M322 W325 L326	F164-I279 HydrophobicContact CD2-CG2 4.5Å; F164-I279 HydrophobicContact CE1-CG2 4.12Å; F164-I279 HydrophobicContact CE2-CG2 3.8Å; F164-I279 HydrophobicContact CZ-CB 4.25Å; F164-I279 HydrophobicContact CZ-CG2 3.58Å; W218-I279 HydrophobicContact CH2-CD1 4.49Å; W218-I279 HydrophobicContact CH2-CG2 4.07Å; W218-I279 HydrophobicContact CZ2-CG2 4.37Å; W218-I279 HydrophobicContact CZ3-CD1 4.22Å; F220-I279 HydrophobicContact CD1-CD1 3.88Å; F220-I279 HydrophobicContact CE1-CD1 3.4Å; F220-I279 HydrophobicContact CZ-CD1 4.03Å; F225-I279 HydrophobicContact CE2-CD1 4.32Å; F225-I279 HydrophobicContact CZ-CD1 4.1Å; F225-I279 HydrophobicContact CZ-CG1 4.32Å; C275-I279 WeakPolarHBondContact O-CD1 3.32Å; C275-I279 VanDerWaalsContact O-CG1 3.28Å; C275-I279 WeakPolarHBondContact O-CG1 3.36Å; C275-I279 PolarHBondContact O-N 3.15Å; Y276-I279 PolarHBondContact O-N 2.91Å; E277-I279 VanDerWaalsContact C-N 3.31Å; E277-I279 PolarHBondContact O-N 2.78Å; I279-Q281 VanDerWaalsContact C-N 3.29Å; I279-Q281 PolarHBondContact O-N 3.13Å; I279-I282 PolarHBondContact O-N 3.14Å; I279-I283 HydrophobicContact CG2-CD1 3.6Å; I279-I283 HydrophobicContact CG2-CG1 4.3Å; I279-I283 WeakPolarHBondContact O-CB 3.33Å; I279-I283 WeakPolarHBondContact O-CG1 3.32Å; I279-I283 PolarHBondContact O-N 2.73Å; I279-M322 HydrophobicContact CG1-CE 4.36Å; I279-M322 HydrophobicContact CG2-CE 3.88Å; I279-W325 HydrophobicContact CB-CZ3 4.46Å; I279-W325 HydrophobicContact CG1-CH2 3.8Å; I279-W325 HydrophobicContact CG1-CZ3 3.66Å; I279-L326 HydrophobicContact CD1-CD1 4.06Å; I279-L326 HydrophobicContact CG1-CD1 4.16Å
280	K	95.5	Very high	94	Very high	61 Å²	61	31.3 Å²	31.3	27%	0.265	16%	0.162	S	C	.	.	H	α-helix	trans	-55.7	-44.2	177.6	-173.5	167.6	-174.9	163.1	0	111.7	F164 Q168 V169 Y276 E277 A284	F164-K280 HydrophobicContact CD1-CB 3.93Å; F164-K280 HydrophobicContact CD1-CG 4.13Å; F164-K280 HydrophobicContact CE1-CB 3.88Å; Q168-K280 PolarHBondContact O-NZ 2.84Å; V169-K280 PolarHBondContact O-NZ 3.1Å; Y276-K280 HydrophobicContact CE1-CB 4.48Å; Y276-K280 HydrophobicContact CE1-CD 3.95Å; Y276-K280 WeakPolarHBondContact O-CB 3.26Å; Y276-K280 PolarHBondContact O-N 3.3Å; E277-K280 PolarHBondContact O-N 2.87Å; K280-A284 WeakPolarHBondContact O-CB 3.3Å; K280-A284 PolarHBondContact O-N 3.05Å
281	Q	94.3	Very high	93.7	Very high	86 Å²	86	33.4 Å²	33.4	40%	0.402	17%	0.171	S	C	.	.	H	α-helix	trans	-66.6	-42.8	179.3	-72.5	177.2	12.4	0	0	112.7	E277 P278 I279 A284 T285	E277-Q281 WeakPolarHBondContact O-CB 3.47Å; E277-Q281 VanDerWaalsContact O-CG 3.31Å; E277-Q281 WeakPolarHBondContact O-CG 3.49Å; E277-Q281 PolarHBondContact O-N 2.81Å; E277-Q281 PolarHBondContact OE1-NE2 3.31Å; P278-Q281 PolarHBondContact O-N 2.95Å; I279-Q281 VanDerWaalsContact C-N 3.29Å; I279-Q281 PolarHBondContact O-N 3.13Å; Q281-A284 PolarHBondContact O-N 2.9Å; Q281-T285 WeakPolarHBondContact O-CB 3.23Å; Q281-T285 WeakPolarHBondContact O-CG2 3.24Å; Q281-T285 PolarHBondContact O-N 2.82Å; Q281-T285 PolarHBondContact O-OG1 2.98Å
282	I	94.7	Very high	93.4	Very high	3 Å²	3	38.9 Å²	38.9	2%	0.015	20%	0.201	C	C	.	.	H	α-helix	trans	-65.4	-45.2	177.3	-71.4	170.9	0	0	0	110.7	P278 I279 A284 T285 C286 L294 L298 L301 V321 M322 W325	P278-I282 WeakPolarHBondContact O-CG1 3.34Å; P278-I282 PolarHBondContact O-N 3.43Å; I279-I282 PolarHBondContact O-N 3.14Å; I282-A284 PolarHBondContact O-N 2.97Å; I282-T285 WeakPolarHBondContact CA-OG1 3.07Å; I282-T285 PolarHBondContact O-N 3.42Å; I282-T285 PolarHBondContact O-OG1 3.48Å; I282-C286 WeakPolarHBondContact O-CB 3.38Å; I282-C286 PolarHBondContact O-N 3.43Å; I282-C286 PolarHBondContact O-SG 2.92Å; I282-L294 HydrophobicContact CG2-CD1 4.2Å; I282-L298 HydrophobicContact CD1-CD2 4.31Å; I282-L301 HydrophobicContact CD1-CD1 3.47Å; I282-L301 VanDerWaalsContact CD1-CD1 3.47Å; I282-V321 HydrophobicContact CG2-CG1 3.66Å; I282-M322 HydrophobicContact CG2-SD 4.08Å; I282-W325 HydrophobicContact CD1-CD2 4.22Å; I282-W325 HydrophobicContact CD1-CE3 3.63Å; I282-W325 HydrophobicContact CD1-CH2 3.83Å; I282-W325 HydrophobicContact CD1-CZ2 4.38Å; I282-W325 HydrophobicContact CD1-CZ3 3.43Å; I282-W325 VanDerWaalsContact CD1-CZ3 3.43Å
283	I	94.5	Very high	93.2	Very high	5 Å²	5	43.4 Å²	43.4	3%	0.026	22%	0.22	C	C	.	.	H	α-helix	trans	-61.5	-48	177.1	-68.2	174.3	0	0	0	110.2	F164 L165 W218 I279 T285 C286 M287 M318 M322	F164-I283 HydrophobicContact CB-CD1 4.07Å; F164-I283 HydrophobicContact CB-CG2 4.21Å; F164-I283 HydrophobicContact CD1-CD1 4.42Å; F164-I283 HydrophobicContact CD2-CD1 3.58Å; F164-I283 HydrophobicContact CE2-CD1 4.11Å; F164-I283 HydrophobicContact CG-CD1 3.77Å; L165-I283 HydrophobicContact CD2-CG2 3.73Å; W218-I283 HydrophobicContact CZ2-CD1 4.43Å; I279-I283 HydrophobicContact CG2-CD1 3.6Å; I279-I283 HydrophobicContact CG2-CG1 4.3Å; I279-I283 WeakPolarHBondContact O-CB 3.33Å; I279-I283 WeakPolarHBondContact O-CG1 3.32Å; I279-I283 PolarHBondContact O-N 2.73Å; I283-T285 PolarHBondContact O-N 2.84Å; I283-C286 PolarHBondContact O-N 3.05Å; I283-M287 HydrophobicContact CG2-CG 4.22Å; I283-M287 WeakPolarHBondContact O-CB 3.38Å; I283-M287 VanDerWaalsContact O-CG 3.26Å; I283-M287 WeakPolarHBondContact O-CG 3.46Å; I283-M287 PolarHBondContact O-N 3.02Å; I283-M318 HydrophobicContact CB-CG 4.36Å; I283-M318 HydrophobicContact CG1-CG 3.97Å; I283-M318 HydrophobicContact CG1-SD 4.3Å; I283-M318 HydrophobicContact CG2-CE 4.24Å; I283-M318 HydrophobicContact CG2-CG 4.2Å; I283-M318 HydrophobicContact CG2-SD 4.27Å; I283-M322 HydrophobicContact CG1-SD 4.3Å
284	A	93.5	Very high	93.1	Very high	41 Å²	41	41.2 Å²	41.2	34%	0.339	21%	0.209	S	C	.	.	H	α-helix	trans	-62.9	-39.2	179.7	0	0	0	0	0	112.8	K280 Q281 I282 M287 N288	K280-A284 WeakPolarHBondContact O-CB 3.3Å; K280-A284 PolarHBondContact O-N 3.05Å; Q281-A284 PolarHBondContact O-N 2.9Å; I282-A284 PolarHBondContact O-N 2.97Å; A284-M287 PolarHBondContact O-N 2.66Å; A284-N288 VanDerWaalsContact O-CB 3.3Å; A284-N288 WeakPolarHBondContact O-CB 3.11Å; A284-N288 PolarHBondContact O-N 3.23Å; A284-N288 PolarHBondContact O-ND2 2.96Å
285	T	94.1	Very high	92.9	Very high	10 Å²	10	43.7 Å²	43.7	6%	0.061	22%	0.218	C	C	.	.	H	α-helix	trans	-70.1	-36.7	176.9	48.6	0	0	0	0	112.3	Q281 I282 I283 D289 Q290 K293 M297	Q281-T285 WeakPolarHBondContact O-CB 3.23Å; Q281-T285 WeakPolarHBondContact O-CG2 3.24Å; Q281-T285 PolarHBondContact O-N 2.82Å; Q281-T285 PolarHBondContact O-OG1 2.98Å; I282-T285 WeakPolarHBondContact CA-OG1 3.07Å; I282-T285 PolarHBondContact O-N 3.42Å; I282-T285 PolarHBondContact O-OG1 3.48Å; I283-T285 PolarHBondContact O-N 2.84Å; T285-D289 PolarHBondContact O-N 2.83Å; T285-Q290 HydrophobicContact CG2-CB 4.31Å; T285-Q290 PolarHBondContact O-N 3.04Å; T285-K293 HydrophobicContact CG2-CB 4.44Å; T285-M297 HydrophobicContact CG2-SD 4.48Å
286	C	92.8	Very high	92.8	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-64.9	-44.3	172	-65.5	0	0	0	0	112.1	I282 I283 D289 L317 M318	I282-C286 WeakPolarHBondContact O-CB 3.38Å; I282-C286 PolarHBondContact O-N 3.43Å; I282-C286 PolarHBondContact O-SG 2.92Å; I283-C286 PolarHBondContact O-N 3.05Å; C286-D289 PolarHBondContact O-N 3.36Å; C286-L317 HydrophobicContact CB-CD2 4.38Å; C286-L317 HydrophobicContact CB-CG 4.35Å; C286-M318 HydrophobicContact CB-CB 3.73Å; C286-M318 HydrophobicContact CB-CG 4.35Å
287	M	91.7	Very high	92.5	Very high	73 Å²	73	49.7 Å²	49.7	36%	0.36	25%	0.253	S	S	.	.	H	α-helix	trans	-70.8	-30.6	-177.3	-70.6	-59.5	-65.2	0	0	113	L165 I283 A284 K315 M318	L165-M287 HydrophobicContact CD2-CG 4.16Å; L165-M287 HydrophobicContact CD2-SD 4.41Å; I283-M287 HydrophobicContact CG2-CG 4.22Å; I283-M287 WeakPolarHBondContact O-CB 3.38Å; I283-M287 VanDerWaalsContact O-CG 3.26Å; I283-M287 WeakPolarHBondContact O-CG 3.46Å; I283-M287 PolarHBondContact O-N 3.02Å; A284-M287 PolarHBondContact O-N 2.66Å; M287-K315 HydrophobicContact CE-CG 3.99Å; M287-K315 HydrophobicContact SD-CG 3.88Å; M287-M318 HydrophobicContact CG-CE 4.06Å; M287-M318 HydrophobicContact SD-CE 3.5Å; M287-M318 WeakPolarHBondContact SD-CE 3.37Å
288	N	91.6	Very high	92.3	Very high	106 Å²	106	47.8 Å²	47.8	57%	0.567	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.8	12.5	177.7	-64.7	-51.4	0	0	0	113.6	A284 Q290	A284-N288 VanDerWaalsContact O-CB 3.3Å; A284-N288 WeakPolarHBondContact O-CB 3.11Å; A284-N288 PolarHBondContact O-N 3.23Å; A284-N288 PolarHBondContact O-ND2 2.96Å; N288-Q290 HydrophobicContact CB-CG 4.12Å; N288-Q290 PolarHBondContact O-N 3.06Å; N288-Q290 VanDerWaalsContact O-N 3.15Å
289	D	86.8	Confident	92.1	Very high	74 Å²	74	50 Å²	50	40%	0.396	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	33.4	179.2	-158.3	38.9	0	0	0	114.9	T285 C286 K291	T285-D289 PolarHBondContact O-N 2.83Å; C286-D289 PolarHBondContact O-N 3.36Å; D289-K291 PolarHBondContact O-N 3.17Å; D289-K291 WeakPolarHBondContact OD1-CE 3.34Å; D289-K291 IonicContact OD1-NZ 2.85Å
290	Q	91.8	Very high	91.7	Very high	61 Å²	61	58 Å²	58	29%	0.285	30%	0.3	S	S	.	.			trans	-84.7	59.1	179.8	-62.3	-177.2	15.3	0	0	111.1	T285 N288 D292 K293 L294	T285-Q290 HydrophobicContact CG2-CB 4.31Å; T285-Q290 PolarHBondContact O-N 3.04Å; N288-Q290 HydrophobicContact CB-CG 4.12Å; N288-Q290 PolarHBondContact O-N 3.06Å; N288-Q290 VanDerWaalsContact O-N 3.15Å; Q290-D292 VanDerWaalsContact C-OD1 3.3Å; Q290-D292 PolarHBondContact O-N 2.87Å; Q290-K293 PolarHBondContact O-N 2.91Å; Q290-K293 VanDerWaalsContact O-N 3.08Å; Q290-L294 WeakPolarHBondContact O-CB 3.46Å; Q290-L294 PolarHBondContact O-N 3.4Å
291	K	88	Confident	91.3	Very high	45 Å²	45	57.4 Å²	57.4	20%	0.196	30%	0.299	C	S	.	.	H	α-helix	trans	-58.3	-34.3	-175.8	-73.9	-178.8	177.3	178.8	0	112.8	D289 K293 L294 W295 K310 L312	D289-K291 PolarHBondContact O-N 3.17Å; D289-K291 WeakPolarHBondContact OD1-CE 3.34Å; D289-K291 IonicContact OD1-NZ 2.85Å; K291-K293 VanDerWaalsContact C-N 3.28Å; K291-K293 PolarHBondContact O-N 2.85Å; K291-L294 PolarHBondContact O-N 3.34Å; K291-W295 HydrophobicContact CB-CZ2 4.29Å; K291-W295 HydrophobicContact CD-CZ2 4.11Å; K291-W295 HydrophobicContact CG-CZ2 3.99Å; K291-W295 PolarHBondContact O-N 2.78Å; K291-W295 VanDerWaalsContact O-N 3.15Å; K291-W295 PolarHBondContact O-NE1 3.49Å; K291-K310 WeakPolarHBondContact CE-O 3.37Å; K291-K310 PolarHBondContact NZ-O 3.4Å; K291-L312 VanDerWaalsContact CE-O 3.27Å; K291-L312 WeakPolarHBondContact CE-O 3.45Å; K291-L312 PolarHBondContact NZ-O 3.28Å
292	D	90.5	Very high	90.8	Very high	115 Å²	115	56.6 Å²	56.6	62%	0.615	31%	0.314	S	S	*	.	H	α-helix	trans	-58.4	-35.8	175.6	65.1	-53.3	0	0	0	113.1	Q290 P296	Q290-D292 VanDerWaalsContact C-OD1 3.3Å; Q290-D292 PolarHBondContact O-N 2.87Å; D292-P296 WeakPolarHBondContact O-CD 3.42Å; D292-P296 WeakPolarHBondContact O-CG 3.42Å
293	K	92	Very high	90.5	Very high	102 Å²	102	57.2 Å²	57.2	44%	0.443	32%	0.318	S	S	.	.	H	α-helix	trans	-89.3	-33.8	175.6	-61.4	-177.1	-165.4	161	0	112.8	T285 Q290 K291 P296 M297	T285-K293 HydrophobicContact CG2-CB 4.44Å; Q290-K293 PolarHBondContact O-N 2.91Å; Q290-K293 VanDerWaalsContact O-N 3.08Å; K291-K293 VanDerWaalsContact C-N 3.28Å; K291-K293 PolarHBondContact O-N 2.85Å; K293-P296 WeakPolarHBondContact O-CD 3.13Å; K293-M297 WeakPolarHBondContact O-CG 3.21Å; K293-M297 PolarHBondContact O-N 2.9Å
294	L	91.7	Very high	90.2	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-62.6	-49.8	-177.5	179.6	63.3	0	0	0	111.8	I282 Q290 K291 M297 L298 L317 V321	I282-L294 HydrophobicContact CG2-CD1 4.2Å; Q290-L294 WeakPolarHBondContact O-CB 3.46Å; Q290-L294 PolarHBondContact O-N 3.4Å; K291-L294 PolarHBondContact O-N 3.34Å; L294-M297 WeakPolarHBondContact O-CB 3.34Å; L294-M297 PolarHBondContact O-N 2.84Å; L294-L298 HydrophobicContact CD1-CD1 4.12Å; L294-L298 HydrophobicContact CD1-CD2 4.24Å; L294-L298 HydrophobicContact CD1-CG 3.98Å; L294-L298 HydrophobicContact CG-CD1 4.05Å; L294-L298 HydrophobicContact CG-CG 4.22Å; L294-L298 WeakPolarHBondContact O-CG 3.17Å; L294-L298 PolarHBondContact O-N 2.94Å; L294-L317 HydrophobicContact CD2-CD2 3.92Å; L294-L317 HydrophobicContact CD2-CG 4.36Å; L294-V321 HydrophobicContact CD2-CG2 4.47Å
295	W	91.7	Very high	89.9	Confident	68 Å²	68	60.8 Å²	60.8	26%	0.258	34%	0.339	S	S	.	.	H	α-helix	trans	-62.2	-43.8	-174.7	-50.7	133.1	0	0	0	113.9	K291 M297 L298 A299 M305 K310 L317	K291-W295 HydrophobicContact CB-CZ2 4.29Å; K291-W295 HydrophobicContact CD-CZ2 4.11Å; K291-W295 HydrophobicContact CG-CZ2 3.99Å; K291-W295 PolarHBondContact O-N 2.78Å; K291-W295 VanDerWaalsContact O-N 3.15Å; K291-W295 PolarHBondContact O-NE1 3.49Å; W295-M297 VanDerWaalsContact C-N 3.3Å; W295-M297 PolarHBondContact O-N 2.77Å; W295-L298 HydrophobicContact CE3-CD1 3.85Å; W295-L298 HydrophobicContact CZ3-CD1 3.79Å; W295-L298 PolarHBondContact O-N 3.04Å; W295-A299 WeakPolarHBondContact O-CB 3.24Å; W295-A299 PolarHBondContact O-N 2.7Å; W295-M305 HydrophobicContact CZ3-CB 4.35Å; W295-M305 HydrophobicContact CZ3-CG 3.91Å; W295-K310 HydrophobicContact CH2-CB 4.1Å; W295-K310 HydrophobicContact CH2-CG 3.71Å; W295-K310 HydrophobicContact CZ2-CB 3.86Å; W295-K310 HydrophobicContact CZ2-CG 3.71Å; W295-K310 HydrophobicContact CZ3-CG 4.26Å; W295-L317 HydrophobicContact CH2-CD1 3.99Å
296	P	92.1	Very high	89.7	Confident	69 Å²	69	66.6 Å²	66.6	45%	0.448	36%	0.363	S	S	.	.	H	α-helix	trans	-60.8	-34.6	171.8	-25.5	35	0	0	0	114	D292 K293 K300	D292-P296 WeakPolarHBondContact O-CD 3.42Å; D292-P296 WeakPolarHBondContact O-CG 3.42Å; K293-P296 WeakPolarHBondContact O-CD 3.13Å; P296-K300 WeakPolarHBondContact O-CG 3.31Å; P296-K300 PolarHBondContact O-N 2.85Å
297	M	90.4	Very high	89.3	Confident	58 Å²	58	72.7 Å²	72.7	29%	0.286	40%	0.396	S	S	.	.	H	α-helix	trans	-67.2	-47.7	175.8	-70.6	178.3	-178.5	0	0	111.2	T285 K293 L294 W295 A299 K300 L301	T285-M297 HydrophobicContact CG2-SD 4.48Å; K293-M297 WeakPolarHBondContact O-CG 3.21Å; K293-M297 PolarHBondContact O-N 2.9Å; L294-M297 WeakPolarHBondContact O-CB 3.34Å; L294-M297 PolarHBondContact O-N 2.84Å; W295-M297 VanDerWaalsContact C-N 3.3Å; W295-M297 PolarHBondContact O-N 2.77Å; M297-A299 VanDerWaalsContact C-N 3.34Å; M297-A299 PolarHBondContact O-N 3.15Å; M297-K300 WeakPolarHBondContact O-CB 3.47Å; M297-K300 PolarHBondContact O-N 3.15Å; M297-L301 WeakPolarHBondContact O-CG 3.45Å; M297-L301 PolarHBondContact O-N 3.4Å
298	L	91.2	Very high	89	Confident	2 Å²	2	74 Å²	74	1%	0.01	40%	0.404	C	S	.	.	H	α-helix	trans	-61.8	-41.1	177.5	-65.3	-171.3	0	0	0	112	I282 L294 W295 K300 L301 G302 V303 M305 V321	I282-L298 HydrophobicContact CD1-CD2 4.31Å; L294-L298 HydrophobicContact CD1-CD1 4.12Å; L294-L298 HydrophobicContact CD1-CD2 4.24Å; L294-L298 HydrophobicContact CD1-CG 3.98Å; L294-L298 HydrophobicContact CG-CD1 4.05Å; L294-L298 HydrophobicContact CG-CG 4.22Å; L294-L298 WeakPolarHBondContact O-CG 3.17Å; L294-L298 PolarHBondContact O-N 2.94Å; W295-L298 HydrophobicContact CE3-CD1 3.85Å; W295-L298 HydrophobicContact CZ3-CD1 3.79Å; W295-L298 PolarHBondContact O-N 3.04Å; L298-K300 VanDerWaalsContact C-N 3.32Å; L298-K300 PolarHBondContact O-N 3.34Å; L298-L301 CarbonylContact O-C 3.55Å; L298-L301 WeakPolarHBondContact O-CA 3.42Å; L298-L301 PolarHBondContact O-N 2.91Å; L298-G302 PolarHBondContact O-N 2.71Å; L298-G302 VanDerWaalsContact O-N 3.08Å; L298-V303 CarbonylContact C-O 3.45Å; L298-V303 HydrophobicContact CB-CB 4.06Å; L298-V303 HydrophobicContact CB-CG1 4.45Å; L298-V303 HydrophobicContact CD1-CG1 4.41Å; L298-V303 HydrophobicContact CD2-CB 4.26Å; L298-V303 HydrophobicContact CD2-CG1 4.27Å; L298-V303 PolarHBondContact O-N 3.42Å; L298-M305 HydrophobicContact CD1-CG 3.98Å; L298-V321 HydrophobicContact CD1-CG1 3.89Å; L298-V321 HydrophobicContact CD1-CG2 3.94Å; L298-V321 HydrophobicContact CD2-CG1 3.59Å; L298-V321 HydrophobicContact CG-CG1 4.38Å
299	A	90.1	Very high	88.8	Confident	71 Å²	71	69.6 Å²	69.6	59%	0.587	38%	0.38	S	S	*	.	H	α-helix	trans	-59.5	-40.2	175.2	0	0	0	0	0	112.5	W295 M297 L301 G302	W295-A299 WeakPolarHBondContact O-CB 3.24Å; W295-A299 PolarHBondContact O-N 2.7Å; M297-A299 VanDerWaalsContact C-N 3.34Å; M297-A299 PolarHBondContact O-N 3.15Å; A299-L301 PolarHBondContact O-N 2.82Å; A299-G302 PolarHBondContact O-N 3.4Å; A299-G302 VanDerWaalsContact O-N 3.16Å
300	K	87.2	Confident	88.8	Confident	169 Å²	169	70 Å²	70	74%	0.735	38%	0.379	S	S	*	.	H	α-helix	trans	-67	-23.6	175.5	-73.8	173.9	-177.6	176.9	0	113.6	P296 M297 L298	P296-K300 WeakPolarHBondContact O-CG 3.31Å; P296-K300 PolarHBondContact O-N 2.85Å; M297-K300 WeakPolarHBondContact O-CB 3.47Å; M297-K300 PolarHBondContact O-N 3.15Å; L298-K300 VanDerWaalsContact C-N 3.32Å; L298-K300 PolarHBondContact O-N 3.34Å
301	L	86.3	Confident	88.6	Confident	47 Å²	47	74.5 Å²	74.5	25%	0.246	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-1.8	176.6	-65.9	168.7	0	0	0	112.6	I282 M297 L298 A299 V303 W325	I282-L301 HydrophobicContact CD1-CD1 3.47Å; I282-L301 VanDerWaalsContact CD1-CD1 3.47Å; M297-L301 WeakPolarHBondContact O-CG 3.45Å; M297-L301 PolarHBondContact O-N 3.4Å; L298-L301 CarbonylContact O-C 3.55Å; L298-L301 WeakPolarHBondContact O-CA 3.42Å; L298-L301 PolarHBondContact O-N 2.91Å; A299-L301 PolarHBondContact O-N 2.82Å; L301-V303 VanDerWaalsContact C-N 3.31Å; L301-V303 HydrophobicContact CB-CG2 4.07Å; L301-W325 HydrophobicContact CD1-CD2 4.25Å; L301-W325 HydrophobicContact CD1-CH2 4.4Å; L301-W325 HydrophobicContact CD1-CZ2 3.81Å; L301-W325 HydrophobicContact CD2-CZ2 4.08Å
302	G	84.7	Confident	88.6	Confident	70 Å²	70	75.1 Å²	75.1	72%	0.722	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	75	18.6	-177.2	0	0	0	0	0	114	L298 A299	L298-G302 PolarHBondContact O-N 2.71Å; L298-G302 VanDerWaalsContact O-N 3.08Å; A299-G302 PolarHBondContact O-N 3.4Å; A299-G302 VanDerWaalsContact O-N 3.16Å
303	V	87.9	Confident	88.6	Confident	16 Å²	16	75.1 Å²	75.1	10%	0.097	40%	0.403	C	S	.	.			trans	-95.5	118.9	-177.8	-179.7	0	0	0	0	109.6	L298 L301 M305 T324 W325	L298-V303 CarbonylContact C-O 3.45Å; L298-V303 HydrophobicContact CB-CB 4.06Å; L298-V303 HydrophobicContact CB-CG1 4.45Å; L298-V303 HydrophobicContact CD1-CG1 4.41Å; L298-V303 HydrophobicContact CD2-CB 4.26Å; L298-V303 HydrophobicContact CD2-CG1 4.27Å; L298-V303 PolarHBondContact O-N 3.42Å; L301-V303 VanDerWaalsContact C-N 3.31Å; L301-V303 HydrophobicContact CB-CG2 4.07Å; V303-M305 HydrophobicContact CG1-SD 4.26Å; V303-T324 HydrophobicContact CG1-CG2 3.85Å; V303-W325 HydrophobicContact CG1-CB 4.44Å; V303-W325 HydrophobicContact CG2-CB 3.68Å; V303-W325 VanDerWaalsContact CG2-CD1 3.42Å; V303-W325 HydrophobicContact CG2-CG 3.72Å
304	S	88.1	Confident	88.5	Confident	103 Å²	103	71.3 Å²	71.3	72%	0.72	39%	0.392	S	S	*	.			trans	-110.1	133.3	175.6	68.6	0	0	0	0	111.4
305	M	86.9	Confident	88.4	Confident	17 Å²	17	77 Å²	77	8%	0.084	42%	0.417	C	S	.	.			trans	-110.2	144.6	179.2	-56	-68.3	-67.2	0	0	110.6	W295 L298 V303 E309 K310 R320 V321 T324	W295-M305 HydrophobicContact CZ3-CB 4.35Å; W295-M305 HydrophobicContact CZ3-CG 3.91Å; L298-M305 HydrophobicContact CD1-CG 3.98Å; V303-M305 HydrophobicContact CG1-SD 4.26Å; M305-E309 HydrophobicContact CB-CB 4.49Å; M305-E309 HydrophobicContact CE-CB 3.87Å; M305-K310 HydrophobicContact CB-CG 4.18Å; M305-K310 WeakPolarHBondContact O-CE 3.26Å; M305-R320 HydrophobicContact CE-CB 4.13Å; M305-R320 HydrophobicContact CE-CG 3.59Å; M305-V321 HydrophobicContact CE-CG2 3.69Å; M305-V321 HydrophobicContact SD-CG2 4.08Å; M305-T324 HydrophobicContact SD-CG2 4.46Å
306	K	89.6	Confident	88.3	Confident	133 Å²	133	77.4 Å²	77.4	58%	0.578	43%	0.428	S	S	*	.			trans	-71.5	166.2	174	-60.1	176.7	-177.4	171.8	0	111.5	D308 E309 K310	K306-D308 WeakPolarHBondContact CB-OD1 3.44Å; K306-E309 HydrophobicContact CB-CB 4.45Å; K306-E309 HydrophobicContact CB-CG 4.06Å; K306-E309 PolarHBondContact N-OE2 3.29Å; K306-E309 PolarHBondContact O-N 2.87Å; K306-K310 WeakPolarHBondContact O-CG 3.38Å; K306-K310 PolarHBondContact O-N 3.39Å; K306-K310 VanDerWaalsContact O-N 3.17Å
307	N	85.6	Confident	88.3	Confident	128 Å²	128	74.1 Å²	74.1	68%	0.684	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-42.7	-174.8	-71.8	-20.7	0	0	0	112.7	E309 K310	N307-E309 VanDerWaalsContact C-N 3.33Å; N307-K310 WeakPolarHBondContact O-CB 3.24Å; N307-K310 PolarHBondContact O-N 3.47Å
308	D	85.9	Confident	88.5	Confident	100 Å²	100	71.4 Å²	71.4	54%	0.535	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-40.3	172.4	55	-36.7	0	0	0	112	K306 K310 E311	K306-D308 WeakPolarHBondContact CB-OD1 3.44Å; D308-K310 VanDerWaalsContact C-N 3.27Å; D308-K310 PolarHBondContact O-N 3.12Å; D308-E311 WeakPolarHBondContact O-CB 3.38Å; D308-E311 PolarHBondContact O-N 3.44Å
309	E	86.6	Confident	88.5	Confident	14 Å²	14	72.4 Å²	72.4	7%	0.065	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	-67.8	-26.2	178.2	-61.7	174.2	151.1	0	0	113.1	M305 K306 N307 E311 L312 R320	M305-E309 HydrophobicContact CB-CB 4.49Å; M305-E309 HydrophobicContact CE-CB 3.87Å; K306-E309 HydrophobicContact CB-CB 4.45Å; K306-E309 HydrophobicContact CB-CG 4.06Å; K306-E309 PolarHBondContact N-OE2 3.29Å; K306-E309 PolarHBondContact O-N 2.87Å; N307-E309 VanDerWaalsContact C-N 3.33Å; E309-E311 VanDerWaalsContact C-N 3.26Å; E309-E311 PolarHBondContact O-N 3.43Å; E309-L312 HydrophobicContact CB-CD1 4.45Å; E309-L312 WeakPolarHBondContact O-CB 3.38Å; E309-L312 WeakPolarHBondContact O-CG 3.07Å; E309-L312 PolarHBondContact O-N 2.79Å; E309-R320 HydrophobicContact CB-CG 4.23Å; E309-R320 HydrophobicContact CG-CG 3.97Å; E309-R320 WeakPolarHBondContact OE1-CD 3.45Å; E309-R320 IonicContact OE1-CZ 3.64Å; E309-R320 IonicContact OE1-NE 2.63Å; E309-R320 IonicContact OE1-NH1 3.87Å; E309-R320 PolarHBondContact OE1-NH1 3.47Å
310	K	86.1	Confident	88.5	Confident	83 Å²	83	71 Å²	71	36%	0.361	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-73.2	-17.4	176	-70.7	172.5	-177	172.4	0	113.1	K291 W295 M305 K306 N307 D308	K291-K310 WeakPolarHBondContact CE-O 3.37Å; K291-K310 PolarHBondContact NZ-O 3.4Å; W295-K310 HydrophobicContact CH2-CB 4.1Å; W295-K310 HydrophobicContact CH2-CG 3.71Å; W295-K310 HydrophobicContact CZ2-CB 3.86Å; W295-K310 HydrophobicContact CZ2-CG 3.71Å; W295-K310 HydrophobicContact CZ3-CG 4.26Å; M305-K310 HydrophobicContact CB-CG 4.18Å; M305-K310 WeakPolarHBondContact O-CE 3.26Å; K306-K310 WeakPolarHBondContact O-CG 3.38Å; K306-K310 PolarHBondContact O-N 3.39Å; K306-K310 VanDerWaalsContact O-N 3.17Å; N307-K310 WeakPolarHBondContact O-CB 3.24Å; N307-K310 PolarHBondContact O-N 3.47Å; D308-K310 VanDerWaalsContact C-N 3.27Å; D308-K310 PolarHBondContact O-N 3.12Å
311	E	87.3	Confident	88.8	Confident	155 Å²	155	62.9 Å²	62.9	72%	0.724	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-79.9	-20.9	176.8	-62.9	-178.1	174.8	0	0	112.1	D308 E309	D308-E311 WeakPolarHBondContact O-CB 3.38Å; D308-E311 PolarHBondContact O-N 3.44Å; E309-E311 VanDerWaalsContact C-N 3.26Å; E309-E311 PolarHBondContact O-N 3.43Å
312	L	89.5	Confident	89.1	Confident	57 Å²	57	60.7 Å²	60.7	30%	0.298	33%	0.33	S	S	.	.			trans	-56.6	153.2	175.3	-58.7	174.5	0	0	0	111.5	K291 E309 P316 L317 R320	K291-L312 VanDerWaalsContact CE-O 3.27Å; K291-L312 WeakPolarHBondContact CE-O 3.45Å; K291-L312 PolarHBondContact NZ-O 3.28Å; E309-L312 HydrophobicContact CB-CD1 4.45Å; E309-L312 WeakPolarHBondContact O-CB 3.38Å; E309-L312 WeakPolarHBondContact O-CG 3.07Å; E309-L312 PolarHBondContact O-N 2.79Å; L312-P316 HydrophobicContact CB-CB 4.42Å; L312-P316 HydrophobicContact CD2-CB 4.17Å; L312-L317 HydrophobicContact CB-CB 3.84Å; L312-L317 HydrophobicContact CB-CD1 4.21Å; L312-R320 HydrophobicContact CD1-CB 3.93Å; L312-R320 HydrophobicContact CD1-CG 4.34Å
313	M	89.1	Confident	89.3	Confident	116 Å²	116	57.7 Å²	57.7	57%	0.571	30%	0.297	S	S	*	.			trans	-136.9	155.1	177.3	-62.9	-167.8	-62.5	0	0	110.8	K315 P316	M313-K315 PolarHBondContact O-N 2.73Å; M313-P316 VanDerWaalsContact O-CD 3.24Å; M313-P316 WeakPolarHBondContact O-CD 2.84Å
314	G	90.9	Very high	89.4	Confident	21 Å²	21	59.7 Å²	59.7	22%	0.216	31%	0.31	C	S	.	.	H	α-helix	trans	58.7	-132.6	173.9	0	0	0	0	0	113.9	L317 M318	G314-L317 PolarHBondContact O-N 3.45Å; G314-M318 PolarHBondContact O-N 3.45Å
315	K	89.7	Confident	89.6	Confident	121 Å²	121	55.4 Å²	55.4	53%	0.526	28%	0.278	S	S	.	.	H	α-helix	trans	-58.9	-46.5	-177.4	-70.5	-173.1	179.2	-173.8	0	113.6	M287 M313 L317 M318 K319	M287-K315 HydrophobicContact CE-CG 3.99Å; M287-K315 HydrophobicContact SD-CG 3.88Å; M313-K315 PolarHBondContact O-N 2.73Å; K315-L317 VanDerWaalsContact C-N 3.34Å; K315-L317 PolarHBondContact O-N 3.36Å; K315-M318 HydrophobicContact CG-CE 4.17Å; K315-M318 PolarHBondContact O-N 3.22Å; K315-K319 WeakPolarHBondContact O-CB 3.49Å; K315-K319 PolarHBondContact O-N 3.08Å
316	P	90	Very high	89.9	Confident	76 Å²	76	54.9 Å²	54.9	49%	0.494	28%	0.275	S	S	.	.	H	α-helix	trans	-54.2	-44.4	173.3	-29.9	33.1	0	0	0	114.4	L312 M313 R320	L312-P316 HydrophobicContact CB-CB 4.42Å; L312-P316 HydrophobicContact CD2-CB 4.17Å; M313-P316 VanDerWaalsContact O-CD 3.24Å; M313-P316 WeakPolarHBondContact O-CD 2.84Å; P316-R320 PolarHBondContact O-N 3.4Å; P316-R320 VanDerWaalsContact O-N 3.08Å
317	L	91.9	Very high	89.9	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-64.1	-49.2	178	176.9	61.1	0	0	0	111	C286 L294 W295 L312 G314 K315 K319 R320 V321	C286-L317 HydrophobicContact CB-CD2 4.38Å; C286-L317 HydrophobicContact CB-CG 4.35Å; L294-L317 HydrophobicContact CD2-CD2 3.92Å; L294-L317 HydrophobicContact CD2-CG 4.36Å; W295-L317 HydrophobicContact CH2-CD1 3.99Å; L312-L317 HydrophobicContact CB-CB 3.84Å; L312-L317 HydrophobicContact CB-CD1 4.21Å; G314-L317 PolarHBondContact O-N 3.45Å; K315-L317 VanDerWaalsContact C-N 3.34Å; K315-L317 PolarHBondContact O-N 3.36Å; L317-K319 PolarHBondContact O-N 3.49Å; L317-R320 PolarHBondContact O-N 2.82Å; L317-V321 HydrophobicContact CD1-CG2 3.91Å; L317-V321 HydrophobicContact CG-CG2 4.31Å; L317-V321 WeakPolarHBondContact O-CB 3.34Å; L317-V321 VanDerWaalsContact O-CG2 3.28Å; L317-V321 WeakPolarHBondContact O-CG2 3.4Å; L317-V321 PolarHBondContact O-N 3.47Å
318	M	93.3	Very high	90.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-57.8	-48.5	177.9	-178.8	-122.1	-57.2	0	0	111.6	L165 I283 C286 M287 G314 K315 R320 V321 M322	L165-M318 HydrophobicContact CD1-CE 3.72Å; L165-M318 HydrophobicContact CD2-CE 3.66Å; L165-M318 HydrophobicContact CG-CE 4.29Å; I283-M318 HydrophobicContact CB-CG 4.36Å; I283-M318 HydrophobicContact CG1-CG 3.97Å; I283-M318 HydrophobicContact CG1-SD 4.3Å; I283-M318 HydrophobicContact CG2-CE 4.24Å; I283-M318 HydrophobicContact CG2-CG 4.2Å; I283-M318 HydrophobicContact CG2-SD 4.27Å; C286-M318 HydrophobicContact CB-CB 3.73Å; C286-M318 HydrophobicContact CB-CG 4.35Å; M287-M318 HydrophobicContact CG-CE 4.06Å; M287-M318 HydrophobicContact SD-CE 3.5Å; M287-M318 WeakPolarHBondContact SD-CE 3.37Å; G314-M318 PolarHBondContact O-N 3.45Å; K315-M318 HydrophobicContact CG-CE 4.17Å; K315-M318 PolarHBondContact O-N 3.22Å; M318-R320 VanDerWaalsContact C-N 3.34Å; M318-R320 PolarHBondContact O-N 3.05Å; M318-V321 PolarHBondContact O-N 3.36Å; M318-M322 HydrophobicContact CG-CG 4.29Å; M318-M322 WeakPolarHBondContact O-CB 3.07Å; M318-M322 VanDerWaalsContact O-CG 3.23Å; M318-M322 WeakPolarHBondContact O-CG 3.42Å; M318-M322 PolarHBondContact O-N 3.48Å
319	K	90.9	Very high	90	Very high	24 Å²	24	40.1 Å²	40.1	10%	0.104	21%	0.206	C	C	.	.	H	α-helix	trans	-53.8	-51.3	176.7	-176.1	174.6	-179.3	176.4	0	110	A51 D53 K315 L317 M322 Q323	A51-K319 PolarHBondContact O-NZ 2.65Å; D53-K319 VanDerWaalsContact CG-NZ 3.29Å; D53-K319 IonicContact OD1-NZ 3.78Å; D53-K319 PolarHBondContact OD1-NZ 3.43Å; D53-K319 VanDerWaalsContact OD1-NZ 3.16Å; D53-K319 IonicContact OD2-NZ 3.38Å; D53-K319 PolarHBondContact OD2-NZ 3.26Å; K315-K319 WeakPolarHBondContact O-CB 3.49Å; K315-K319 PolarHBondContact O-N 3.08Å; L317-K319 PolarHBondContact O-N 3.49Å; K319-M322 PolarHBondContact O-N 3.19Å; K319-Q323 WeakPolarHBondContact O-CB 3.22Å; K319-Q323 WeakPolarHBondContact O-CG 3.43Å; K319-Q323 PolarHBondContact O-N 2.77Å
320	R	90.4	Very high	90	Very high	40 Å²	40	41.6 Å²	41.6	15%	0.151	22%	0.216	C	C	.	.	H	α-helix	trans	-66.4	-43.3	-178.7	-172.4	52.9	62	112.7	1.1	112.9	E49 M305 E309 L312 P316 L317 M318 M322 Q323 T324	E49-R320 IonicContact OE1-NH2 2.73Å; M305-R320 HydrophobicContact CE-CB 4.13Å; M305-R320 HydrophobicContact CE-CG 3.59Å; E309-R320 HydrophobicContact CB-CG 4.23Å; E309-R320 HydrophobicContact CG-CG 3.97Å; E309-R320 WeakPolarHBondContact OE1-CD 3.45Å; E309-R320 IonicContact OE1-CZ 3.64Å; E309-R320 IonicContact OE1-NE 2.63Å; E309-R320 IonicContact OE1-NH1 3.87Å; E309-R320 PolarHBondContact OE1-NH1 3.47Å; L312-R320 HydrophobicContact CD1-CB 3.93Å; L312-R320 HydrophobicContact CD1-CG 4.34Å; P316-R320 PolarHBondContact O-N 3.4Å; P316-R320 VanDerWaalsContact O-N 3.08Å; L317-R320 PolarHBondContact O-N 2.82Å; M318-R320 VanDerWaalsContact C-N 3.34Å; M318-R320 PolarHBondContact O-N 3.05Å; R320-M322 PolarHBondContact O-N 2.81Å; R320-Q323 PolarHBondContact O-N 3.19Å; R320-T324 PolarHBondContact O-N 3.12Å; R320-T324 PolarHBondContact O-OG1 2.78Å
321	V	93.5	Very high	90.2	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-60.1	-46.6	177.7	167.5	0	0	0	0	111	I282 L294 L298 M305 L317 M318 T324 W325	I282-V321 HydrophobicContact CG2-CG1 3.66Å; L294-V321 HydrophobicContact CD2-CG2 4.47Å; L298-V321 HydrophobicContact CD1-CG1 3.89Å; L298-V321 HydrophobicContact CD1-CG2 3.94Å; L298-V321 HydrophobicContact CD2-CG1 3.59Å; L298-V321 HydrophobicContact CG-CG1 4.38Å; M305-V321 HydrophobicContact CE-CG2 3.69Å; M305-V321 HydrophobicContact SD-CG2 4.08Å; L317-V321 HydrophobicContact CD1-CG2 3.91Å; L317-V321 HydrophobicContact CG-CG2 4.31Å; L317-V321 WeakPolarHBondContact O-CB 3.34Å; L317-V321 VanDerWaalsContact O-CG2 3.28Å; L317-V321 WeakPolarHBondContact O-CG2 3.4Å; L317-V321 PolarHBondContact O-N 3.47Å; M318-V321 PolarHBondContact O-N 3.36Å; V321-T324 PolarHBondContact O-N 3.35Å; V321-W325 WeakPolarHBondContact O-CB 3.47Å; V321-W325 PolarHBondContact O-N 3.43Å
322	M	93.7	Very high	90.5	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-68.5	-38.7	-179.4	-66.7	-58.1	-65.1	0	0	112.1	W218 I279 I282 I283 M318 K319 R320 T324 W325 L326	W218-M322 HydrophobicContact CB-CB 3.91Å; W218-M322 VanDerWaalsContact CD1-CB 3.43Å; W218-M322 HydrophobicContact CD2-CB 4.46Å; W218-M322 HydrophobicContact CD2-CE 3.56Å; W218-M322 HydrophobicContact CE3-CE 3.82Å; W218-M322 HydrophobicContact CG-CB 3.69Å; W218-M322 HydrophobicContact CG-CE 3.97Å; W218-M322 HydrophobicContact CG-CG 4.42Å; W218-M322 HydrophobicContact CH2-CE 4.37Å; W218-M322 HydrophobicContact CZ2-CE 4.11Å; W218-M322 HydrophobicContact CZ3-CE 4.23Å; I279-M322 HydrophobicContact CG1-CE 4.36Å; I279-M322 HydrophobicContact CG2-CE 3.88Å; I282-M322 HydrophobicContact CG2-SD 4.08Å; I283-M322 HydrophobicContact CG1-SD 4.3Å; M318-M322 HydrophobicContact CG-CG 4.29Å; M318-M322 WeakPolarHBondContact O-CB 3.07Å; M318-M322 VanDerWaalsContact O-CG 3.23Å; M318-M322 WeakPolarHBondContact O-CG 3.42Å; M318-M322 PolarHBondContact O-N 3.48Å; K319-M322 PolarHBondContact O-N 3.19Å; R320-M322 PolarHBondContact O-N 2.81Å; M322-T324 VanDerWaalsContact C-N 3.3Å; M322-T324 PolarHBondContact O-N 3.38Å; M322-W325 HydrophobicContact CE-CE3 4.12Å; M322-W325 HydrophobicContact CE-CZ3 4.2Å; M322-W325 PolarHBondContact O-N 2.84Å; M322-W325 HydrophobicContact SD-CE3 3.91Å; M322-W325 HydrophobicContact SD-CZ3 4.22Å; M322-L326 HydrophobicContact CE-CD1 4.11Å; M322-L326 CarbonylContact O-C 3.58Å; M322-L326 WeakPolarHBondContact O-CA 3.27Å; M322-L326 PolarHBondContact O-N 3.45Å
323	Q	89.6	Confident	90.6	Very high	7 Å²	7	27.7 Å²	27.7	3%	0.033	15%	0.151	C	C	.	.	H	α-helix	trans	-63.3	-34.2	174.6	-76.2	176.1	-18.3	0	0	112.9	H216 K319 R320 P327	H216-Q323 WeakPolarHBondContact O-CG 3.29Å; H216-Q323 PolarHBondContact O-NE2 3.46Å; K319-Q323 WeakPolarHBondContact O-CB 3.22Å; K319-Q323 WeakPolarHBondContact O-CG 3.43Å; K319-Q323 PolarHBondContact O-N 2.77Å; R320-Q323 PolarHBondContact O-N 3.19Å; Q323-P327 WeakPolarHBondContact O-CA 3.33Å; Q323-P327 WeakPolarHBondContact O-CB 3.27Å; Q323-P327 VanDerWaalsContact O-CG 3.23Å; Q323-P327 WeakPolarHBondContact O-CG 3.33Å
324	T	89.3	Confident	90.7	Very high	58 Å²	58	22.5 Å²	22.5	36%	0.356	13%	0.125	S	C	.	.	H	α-helix	trans	-77.9	-38	176.7	-54.6	0	0	0	0	111.6	V303 M305 R320 V321 M322	V303-T324 HydrophobicContact CG1-CG2 3.85Å; M305-T324 HydrophobicContact SD-CG2 4.46Å; R320-T324 PolarHBondContact O-N 3.12Å; R320-T324 PolarHBondContact O-OG1 2.78Å; V321-T324 PolarHBondContact O-N 3.35Å; M322-T324 VanDerWaalsContact C-N 3.3Å; M322-T324 PolarHBondContact O-N 3.38Å
325	W	92.3	Very high	90.9	Very high	14 Å²	14	21.7 Å²	21.7	5%	0.053	12%	0.116	C	C	.	.	H	α-helix	trans	-79.7	-47.5	-177.1	-178.7	33	0	0	0	113.6	F225 P278 I279 I282 L301 V303 V321 M322	F225-W325 HydrophobicContact CE1-CH2 4.1Å; F225-W325 AromaticContact CE1-CZ2 3.78Å; F225-W325 HydrophobicContact CE1-CZ2 3.78Å; F225-W325 AromaticContact CZ-CH2 3.97Å; F225-W325 HydrophobicContact CZ-CH2 3.97Å; F225-W325 AromaticContact CZ-CZ2 3.98Å; F225-W325 HydrophobicContact CZ-CZ2 3.98Å; P278-W325 HydrophobicContact CB-CH2 4.15Å; I279-W325 HydrophobicContact CB-CZ3 4.46Å; I279-W325 HydrophobicContact CG1-CH2 3.8Å; I279-W325 HydrophobicContact CG1-CZ3 3.66Å; I282-W325 HydrophobicContact CD1-CD2 4.22Å; I282-W325 HydrophobicContact CD1-CE3 3.63Å; I282-W325 HydrophobicContact CD1-CH2 3.83Å; I282-W325 HydrophobicContact CD1-CZ2 4.38Å; I282-W325 HydrophobicContact CD1-CZ3 3.43Å; I282-W325 VanDerWaalsContact CD1-CZ3 3.43Å; L301-W325 HydrophobicContact CD1-CD2 4.25Å; L301-W325 HydrophobicContact CD1-CH2 4.4Å; L301-W325 HydrophobicContact CD1-CZ2 3.81Å; L301-W325 HydrophobicContact CD2-CZ2 4.08Å; V303-W325 HydrophobicContact CG1-CB 4.44Å; V303-W325 HydrophobicContact CG2-CB 3.68Å; V303-W325 VanDerWaalsContact CG2-CD1 3.42Å; V303-W325 HydrophobicContact CG2-CG 3.72Å; V321-W325 WeakPolarHBondContact O-CB 3.47Å; V321-W325 PolarHBondContact O-N 3.43Å; M322-W325 HydrophobicContact CE-CE3 4.12Å; M322-W325 HydrophobicContact CE-CZ3 4.2Å; M322-W325 PolarHBondContact O-N 2.84Å; M322-W325 HydrophobicContact SD-CE3 3.91Å; M322-W325 HydrophobicContact SD-CZ3 4.22Å
326	L	93.1	Very high	91.1	Very high	6 Å²	6	16 Å²	16	3%	0.031	9%	0.091	C	C	.	.	S	Bend	trans	-129.7	65.9	-176.2	-62	176	0	0	0	110.6	W218 A219 F220 F225 M228 I279 M322 A328	W218-L326 WeakPolarHBondContact CA-O 3.43Å; W218-L326 HydrophobicContact CB-CB 4.48Å; W218-L326 WeakPolarHBondContact CB-O 3.39Å; A219-L326 PolarHBondContact N-O 3.04Å; F220-L326 HydrophobicContact CB-CD1 4.37Å; F220-L326 HydrophobicContact CB-CD2 4.24Å; F220-L326 HydrophobicContact CD1-CD1 4.24Å; F225-L326 HydrophobicContact CE2-CD1 4.27Å; F225-L326 HydrophobicContact CE2-CD2 4.46Å; F225-L326 HydrophobicContact CZ-CD1 4.04Å; F225-L326 HydrophobicContact CZ-CD2 4.42Å; M228-L326 HydrophobicContact CE-CD2 4.41Å; I279-L326 HydrophobicContact CD1-CD1 4.06Å; I279-L326 HydrophobicContact CG1-CD1 4.16Å; M322-L326 HydrophobicContact CE-CD1 4.11Å; M322-L326 CarbonylContact O-C 3.58Å; M322-L326 WeakPolarHBondContact O-CA 3.27Å; M322-L326 PolarHBondContact O-N 3.45Å; L326-A328 PolarHBondContact O-N 2.85Å
327	P	89.9	Confident	91.3	Very high	35 Å²	35	12.3 Å²	12.3	23%	0.227	7%	0.067	C	C	.	.	B	Isolated β-bridge	trans	-59.2	128.4	-177.5	-10.9	20	0	0	0	111.1	Q323 S329 T330 A331	Q323-P327 WeakPolarHBondContact O-CA 3.33Å; Q323-P327 WeakPolarHBondContact O-CB 3.27Å; Q323-P327 VanDerWaalsContact O-CG 3.23Å; Q323-P327 WeakPolarHBondContact O-CG 3.33Å; P327-S329 PolarHBondContact O-N 3.08Å; P327-T330 PolarHBondContact O-N 2.86Å; P327-T330 VanDerWaalsContact O-N 3.12Å; P327-A331 PolarHBondContact O-N 3.46Å
328	A	89.4	Confident	91.4	Very high	2 Å²	2	14.5 Å²	14.5	2%	0.017	8%	0.077	C	C	.	.	H	α-helix	trans	-56.8	-39.9	-177.4	0	0	0	0	0	112.9	G217 A219 L326 T330 A331 L332	G217-A328 WeakPolarHBondContact O-CB 3.45Å; G217-A328 PolarHBondContact O-N 2.8Å; A219-A328 HydrophobicContact CB-CB 4Å; L326-A328 PolarHBondContact O-N 2.85Å; A328-T330 PolarHBondContact O-N 2.95Å; A328-A331 PolarHBondContact O-N 3.1Å; A328-L332 HydrophobicContact CB-CD1 4.31Å; A328-L332 VanDerWaalsContact O-CB 3.26Å; A328-L332 WeakPolarHBondContact O-CB 3.37Å; A328-L332 VanDerWaalsContact O-CG 3.25Å; A328-L332 WeakPolarHBondContact O-CG 3.14Å; A328-L332 PolarHBondContact O-N 2.78Å
329	S	84.6	Confident	91.5	Very high	14 Å²	14	16.6 Å²	16.6	10%	0.098	9%	0.087	C	C	.	.	H	α-helix	trans	-61.3	-40.7	178.9	58.1	0	0	0	0	113.6	A42 P327 L333	A42-S329 WeakPolarHBondContact CB-OG 3.44Å; P327-S329 PolarHBondContact O-N 3.08Å; S329-L333 WeakPolarHBondContact O-CB 3.42Å; S329-L333 WeakPolarHBondContact O-CG 3.25Å; S329-L333 PolarHBondContact O-N 2.86Å
330	T	86.3	Confident	91.7	Very high	45 Å²	45	15.7 Å²	15.7	28%	0.276	8%	0.083	S	C	.	.	H	α-helix	trans	-63.9	-50.1	-177.9	-55.2	0	0	0	0	109.4	P327 A328 E334	P327-T330 PolarHBondContact O-N 2.86Å; P327-T330 VanDerWaalsContact O-N 3.12Å; A328-T330 PolarHBondContact O-N 2.95Å; T330-E334 WeakPolarHBondContact O-CB 3.39Å; T330-E334 PolarHBondContact O-N 3.09Å; T330-E334 VanDerWaalsContact O-N 3.12Å
331	A	90.6	Very high	92	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.008	8%	0.081	C	C	.	.	H	α-helix	trans	-65.5	-46.3	-178.9	0	0	0	0	0	112.6	A219 P327 A328 M335	A219-A331 HydrophobicContact CB-CB 4.2Å; A219-A331 WeakPolarHBondContact O-CB 3.35Å; P327-A331 PolarHBondContact O-N 3.46Å; A328-A331 PolarHBondContact O-N 3.1Å; A331-M335 VanDerWaalsContact O-CB 3.32Å; A331-M335 WeakPolarHBondContact O-CB 3.44Å; A331-M335 PolarHBondContact O-N 2.76Å
332	L	93	Very high	92.2	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-75.3	-44.3	-174.4	-67.8	172.5	0	0	0	112.4	L35 L39 A210 A219 A328 M335 M336	L35-L332 HydrophobicContact CD1-CD1 3.78Å; L35-L332 HydrophobicContact CD2-CD1 4.06Å; L35-L332 HydrophobicContact CG-CD1 3.92Å; L39-L332 HydrophobicContact CD1-CD1 4.45Å; L39-L332 HydrophobicContact CD2-CB 3.75Å; L39-L332 HydrophobicContact CD2-CD1 3.73Å; L39-L332 HydrophobicContact CD2-CG 4.37Å; L39-L332 HydrophobicContact CG-CD1 4.29Å; A210-L332 HydrophobicContact CB-CD2 3.61Å; A219-L332 HydrophobicContact CB-CD1 4.36Å; A219-L332 HydrophobicContact CB-CG 4.17Å; A328-L332 HydrophobicContact CB-CD1 4.31Å; A328-L332 VanDerWaalsContact O-CB 3.26Å; A328-L332 WeakPolarHBondContact O-CB 3.37Å; A328-L332 VanDerWaalsContact O-CG 3.25Å; A328-L332 WeakPolarHBondContact O-CG 3.14Å; A328-L332 PolarHBondContact O-N 2.78Å; L332-M335 HydrophobicContact CD2-CE 3.92Å; L332-M335 PolarHBondContact O-N 2.93Å; L332-M336 HydrophobicContact CB-CE 4.15Å; L332-M336 WeakPolarHBondContact O-CG 3.14Å; L332-M336 PolarHBondContact O-N 2.96Å
333	L	90.8	Very high	92.3	Very high	2 Å²	2	14.8 Å²	14.8	1%	0.01	8%	0.082	C	C	.	.	H	α-helix	trans	-68.9	-37.3	178.9	-57.2	173.9	0	0	0	111.1	L39 L77 Y79 I100 S329 M336 I337	L39-L333 HydrophobicContact CD2-CD2 4.28Å; L39-L333 HydrophobicContact CD2-CG 4.34Å; L77-L333 HydrophobicContact CD1-CD2 4.24Å; Y79-L333 HydrophobicContact CD1-CB 4.12Å; Y79-L333 HydrophobicContact CD1-CD1 4.4Å; Y79-L333 HydrophobicContact CD2-CD1 3.46Å; Y79-L333 VanDerWaalsContact CD2-CD1 3.46Å; Y79-L333 HydrophobicContact CE1-CB 4.17Å; Y79-L333 HydrophobicContact CE2-CD1 3.81Å; Y79-L333 HydrophobicContact CG-CB 4.31Å; Y79-L333 HydrophobicContact CG-CD1 3.79Å; I100-L333 HydrophobicContact CD1-CB 4.02Å; I100-L333 HydrophobicContact CD1-CD2 3.59Å; I100-L333 HydrophobicContact CD1-CG 4.26Å; S329-L333 WeakPolarHBondContact O-CB 3.42Å; S329-L333 WeakPolarHBondContact O-CG 3.25Å; S329-L333 PolarHBondContact O-N 2.86Å; L333-M336 HydrophobicContact CD2-SD 3.93Å; L333-M336 PolarHBondContact O-N 3.45Å; L333-I337 WeakPolarHBondContact O-CB 3.16Å; L333-I337 VanDerWaalsContact O-CG1 3.29Å; L333-I337 WeakPolarHBondContact O-CG1 3.3Å; L333-I337 PolarHBondContact O-N 2.89Å
334	E	91.5	Very high	92.7	Very high	7 Å²	7	15.5 Å²	15.5	3%	0.033	9%	0.085	C	C	.	.	H	α-helix	trans	-60.1	-49.9	171.8	-178.7	175.3	168.3	0	0	110.8	M81 K227 T330 M336 I337 F338	M81-E334 HydrophobicContact CE-CG 4.13Å; K227-E334 IonicContact NZ-OE1 2.65Å; K227-E334 PolarHBondContact NZ-OE1 2.94Å; K227-E334 IonicContact NZ-OE2 3.73Å; T330-E334 WeakPolarHBondContact O-CB 3.39Å; T330-E334 PolarHBondContact O-N 3.09Å; T330-E334 VanDerWaalsContact O-N 3.12Å; E334-M336 VanDerWaalsContact C-N 3.3Å; E334-M336 PolarHBondContact O-N 2.67Å; E334-I337 PolarHBondContact O-N 3.25Å; E334-F338 HydrophobicContact CG-CD2 3.94Å; E334-F338 HydrophobicContact CG-CE2 4.04Å; E334-F338 WeakPolarHBondContact O-CB 3.32Å; E334-F338 WeakPolarHBondContact O-CD2 3.47Å; E334-F338 PolarHBondContact O-N 3.21Å
335	M	94.8	Very high	93	Very high	4 Å²	4	16 Å²	16	2%	0.02	9%	0.088	C	C	.	.	H	α-helix	trans	-55.7	-44.7	176	-179.7	176.8	69.3	0	0	111.9	L126 V154 G207 A210 T221 A331 L332 F338 H339	L126-M335 HydrophobicContact CD1-CE 3.7Å; V154-M335 HydrophobicContact CB-CE 4.04Å; V154-M335 HydrophobicContact CB-CG 4.39Å; V154-M335 HydrophobicContact CB-SD 4.18Å; V154-M335 HydrophobicContact CG1-CG 4.34Å; V154-M335 HydrophobicContact CG2-CE 3.87Å; G207-M335 WeakPolarHBondContact O-CG 3.41Å; A210-M335 HydrophobicContact CB-CE 3.76Å; A210-M335 HydrophobicContact CB-SD 3.8Å; T221-M335 HydrophobicContact CG2-CB 4.14Å; T221-M335 HydrophobicContact CG2-SD 4.27Å; A331-M335 VanDerWaalsContact O-CB 3.32Å; A331-M335 WeakPolarHBondContact O-CB 3.44Å; A331-M335 PolarHBondContact O-N 2.76Å; L332-M335 HydrophobicContact CD2-CE 3.92Å; L332-M335 PolarHBondContact O-N 2.93Å; M335-F338 PolarHBondContact O-N 3.41Å; M335-H339 WeakPolarHBondContact O-CB 3.32Å; M335-H339 PolarHBondContact O-CD2 2.97Å; M335-H339 PolarHBondContact O-N 2.87Å
336	M	94.1	Very high	93.1	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-62.5	-46.3	178.1	-68.6	161	-171.2	0	0	111.9	M22 L39 I100 L126 L332 L333 E334 F338 L340	M22-M336 HydrophobicContact CE-CE 4.12Å; M22-M336 HydrophobicContact SD-CE 3.54Å; M22-M336 VanDerWaalsContact SD-CE 3.54Å; M22-M336 HydrophobicContact SD-CG 3.86Å; M22-M336 HydrophobicContact SD-SD 3.43Å; L39-M336 HydrophobicContact CD1-CE 3.91Å; I100-M336 HydrophobicContact CG2-SD 4.43Å; L126-M336 HydrophobicContact CB-CE 4.47Å; L126-M336 HydrophobicContact CD2-CE 3.71Å; L332-M336 HydrophobicContact CB-CE 4.15Å; L332-M336 WeakPolarHBondContact O-CG 3.14Å; L332-M336 PolarHBondContact O-N 2.96Å; L333-M336 HydrophobicContact CD2-SD 3.93Å; L333-M336 PolarHBondContact O-N 3.45Å; E334-M336 VanDerWaalsContact C-N 3.3Å; E334-M336 PolarHBondContact O-N 2.67Å; M336-F338 VanDerWaalsContact C-N 3.32Å; M336-F338 PolarHBondContact O-N 3.11Å; M336-L340 HydrophobicContact CB-CD1 4.08Å; M336-L340 HydrophobicContact CG-CD1 4.02Å; M336-L340 WeakPolarHBondContact O-CA 3.4Å; M336-L340 WeakPolarHBondContact O-CB 3.14Å; M336-L340 PolarHBondContact O-N 3.45Å
337	I	94.1	Very high	93.3	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-62.4	-42.3	180	-73	167	0	0	0	110.9	R20 Y79 M81 F89 Y98 I100 L333 E334	R20-I337 PolarHBondContact NE-O 3.15Å; R20-I337 PolarHBondContact NH2-O 2.93Å; Y79-I337 HydrophobicContact CD1-CD1 3.76Å; Y79-I337 HydrophobicContact CE1-CD1 4.4Å; M81-I337 HydrophobicContact CG-CD1 3.7Å; M81-I337 HydrophobicContact SD-CD1 3.94Å; F89-I337 HydrophobicContact CE2-CG2 4.42Å; F89-I337 WeakPolarHBondContact CE2-O 3.37Å; Y98-I337 HydrophobicContact CD1-CD1 4.17Å; Y98-I337 HydrophobicContact CD1-CG1 3.92Å; Y98-I337 HydrophobicContact CD1-CG2 3.94Å; Y98-I337 HydrophobicContact CD2-CD1 3.92Å; Y98-I337 HydrophobicContact CD2-CG2 4.46Å; Y98-I337 HydrophobicContact CE1-CG1 4.41Å; Y98-I337 HydrophobicContact CE1-CG2 3.55Å; Y98-I337 HydrophobicContact CE2-CG2 4.11Å; Y98-I337 HydrophobicContact CG-CD1 3.73Å; Y98-I337 HydrophobicContact CG-CG1 4Å; Y98-I337 HydrophobicContact CG-CG2 4.39Å; I100-I337 HydrophobicContact CD1-CD1 4.26Å; I100-I337 HydrophobicContact CD1-CG1 4.23Å; L333-I337 WeakPolarHBondContact O-CB 3.16Å; L333-I337 VanDerWaalsContact O-CG1 3.29Å; L333-I337 WeakPolarHBondContact O-CG1 3.3Å; L333-I337 PolarHBondContact O-N 2.89Å; E334-I337 PolarHBondContact O-N 3.25Å
338	F	94	Very high	93.6	Very high	45 Å²	45	19.9 Å²	19.9	20%	0.197	10%	0.098	C	C	.	.	H	α-helix	trans	-72.8	-40.2	-177.5	-91.2	-105	0	0	0	113.7	M81 S85 L86 S88 F89 E334 M335 M336	M81-F338 HydrophobicContact CE-CD2 4.21Å; M81-F338 HydrophobicContact CE-CE2 3.61Å; S85-F338 VanDerWaalsContact O-CZ 3.23Å; S85-F338 WeakPolarHBondContact O-CZ 3.46Å; L86-F338 HydrophobicContact CD2-CE2 4.48Å; S88-F338 WeakPolarHBondContact OG-CE1 3.43Å; F89-F338 HydrophobicContact CB-CE1 3.79Å; F89-F338 HydrophobicContact CB-CE2 4.24Å; F89-F338 HydrophobicContact CB-CZ 3.63Å; F89-F338 AromaticContact CD2-CD1 3.92Å; F89-F338 HydrophobicContact CD2-CD1 3.92Å; F89-F338 HydrophobicContact CD2-CD2 4.12Å; F89-F338 HydrophobicContact CD2-CE1 4.04Å; F89-F338 HydrophobicContact CD2-CE2 4.24Å; F89-F338 AromaticContact CD2-CG 3.97Å; F89-F338 HydrophobicContact CD2-CG 3.97Å; F89-F338 HydrophobicContact CD2-CZ 4.2Å; F89-F338 HydrophobicContact CG-CE1 4.43Å; F89-F338 HydrophobicContact CG-CZ 4.39Å; E334-F338 HydrophobicContact CG-CD2 3.94Å; E334-F338 HydrophobicContact CG-CE2 4.04Å; E334-F338 WeakPolarHBondContact O-CB 3.32Å; E334-F338 WeakPolarHBondContact O-CD2 3.47Å; E334-F338 PolarHBondContact O-N 3.21Å; M335-F338 PolarHBondContact O-N 3.41Å; M336-F338 VanDerWaalsContact C-N 3.32Å; M336-F338 PolarHBondContact O-N 3.11Å
339	H	95.3	Very high	93.8	Very high	45 Å²	45	21.4 Å²	21.4	21%	0.208	10%	0.104	C	C	.	.	H	α-helix	trans	-114.9	-17.4	-165.3	-60.3	-63.3	0	0	0	114.7	R152 V154 K206 G207 T208 M335	R152-H339 WeakPolarHBondContact CD-O 3.4Å; V154-H339 HydrophobicContact CG1-CB 3.74Å; K206-H339 PolarHBondContact O-CE1 3.37Å; K206-H339 PolarHBondContact O-NE2 3.48Å; G207-H339 VanDerWaalsContact C-NE2 3.31Å; G207-H339 PolarHBondContact O-CD2 2.91Å; G207-H339 VanDerWaalsContact O-CD2 3.29Å; G207-H339 PolarHBondContact O-NE2 3.5Å; T208-H339 HydrophobicContact CG2-CB 4.13Å; M335-H339 WeakPolarHBondContact O-CB 3.32Å; M335-H339 PolarHBondContact O-CD2 2.97Å; M335-H339 PolarHBondContact O-N 2.87Å
340	L	96.2	Very high	94.3	Very high	5 Å²	5	20.8 Å²	20.8	3%	0.026	10%	0.099	C	C	.	.	S	Bend	trans	-89.8	142.2	172	-58.7	-177	0	0	0	110.8	R20 M22 R152 V154 M336	R20-L340 WeakPolarHBondContact CD-O 3.45Å; R20-L340 PolarHBondContact NE-O 2.9Å; M22-L340 HydrophobicContact CB-CD1 3.84Å; M22-L340 HydrophobicContact CG-CD1 4.42Å; M22-L340 HydrophobicContact SD-CD1 4.18Å; R152-L340 VanDerWaalsContact O-CD2 3.25Å; R152-L340 WeakPolarHBondContact O-CD2 3.46Å; V154-L340 HydrophobicContact CB-CD2 4.43Å; V154-L340 HydrophobicContact CG1-CD2 3.75Å; V154-L340 HydrophobicContact CG1-CG 4.27Å; V154-L340 HydrophobicContact CG2-CD1 4.34Å; V154-L340 HydrophobicContact CG2-CD2 4.02Å; V154-L340 HydrophobicContact CG2-CG 4.29Å; M336-L340 HydrophobicContact CB-CD1 4.08Å; M336-L340 HydrophobicContact CG-CD1 4.02Å; M336-L340 WeakPolarHBondContact O-CA 3.4Å; M336-L340 WeakPolarHBondContact O-CB 3.14Å; M336-L340 PolarHBondContact O-N 3.45Å
341	P	96	Very high	94.7	Very high	15 Å²	15	18.9 Å²	18.9	10%	0.097	9%	0.088	C	C	.	.	P	Polyproline II helix	trans	-73.4	151.1	-177.3	31	-35.4	0	0	0	111.4	D123 R152 T345 A346 Y349	D123-P341 HydrophobicContact CB-CG 4.12Å; R152-P341 HydrophobicContact CB-CG 4.34Å; P341-T345 HydrophobicContact CB-CG2 4.31Å; P341-A346 HydrophobicContact CB-CB 4.12Å; P341-A346 HydrophobicContact CG-CB 4.03Å; P341-Y349 WeakPolarHBondContact CG-OH 3.47Å
342	S	97.2	Very high	94.6	Very high	5 Å²	5	22.7 Å²	22.7	4%	0.035	11%	0.105	C	C	.	.	P	Polyproline II helix	trans	-71.7	156.9	164.5	75.8	0	0	0	0	110.8	K16 H17 H344 T345 A346	K16-S342 WeakPolarHBondContact O-CB 3.21Å; H17-S342 WeakPolarHBondContact O-CB 3.32Å; S342-H344 PolarHBondContact O-N 2.89Å; S342-T345 PolarHBondContact O-N 2.69Å; S342-T345 PolarHBondContact OG-N 3.31Å; S342-T345 PolarHBondContact OG-OG1 3.26Å; S342-A346 WeakPolarHBondContact O-CB 3.32Å; S342-A346 PolarHBondContact O-N 3.23Å
343	P	97.1	Very high	94.3	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-50.1	-41.4	171.5	-31.8	36.7	0	0	0	113.7	K16 I19 N21 T345 A346 Q347 G449	K16-P343 WeakPolarHBondContact O-CD 3.28Å; I19-P343 HydrophobicContact CB-CG 3.89Å; I19-P343 HydrophobicContact CG2-CG 3.81Å; I19-P343 WeakPolarHBondContact O-CD 3.41Å; N21-P343 WeakPolarHBondContact ND2-CG 3.29Å; P343-T345 VanDerWaalsContact C-N 3.3Å; P343-T345 PolarHBondContact O-N 2.76Å; P343-A346 PolarHBondContact O-N 2.88Å; P343-Q347 VanDerWaalsContact O-CB 3.3Å; P343-Q347 WeakPolarHBondContact O-CB 3.46Å; P343-Q347 WeakPolarHBondContact O-CG 3.46Å; P343-Q347 PolarHBondContact O-N 3.43Å; P343-G449 WeakPolarHBondContact CG-O 2.96Å
344	H	96.1	Very high	94.4	Very high	22 Å²	22	24.3 Å²	24.3	10%	0.102	11%	0.114	C	C	.	.	H	α-helix	trans	-63.3	-36.1	178.3	-178.6	78.9	0	0	0	112.8	K16 H17 S342 R348 N369 C370	K16-H344 HydrophobicContact CB-CB 4.41Å; K16-H344 HydrophobicContact CD-CB 4.05Å; K16-H344 WeakPolarHBondContact CE-ND1 3.38Å; K16-H344 HydrophobicContact CG-CB 4Å; K16-H344 PolarHBondContact NZ-ND1 2.73Å; H17-H344 AromaticContact CE1-CD2 3.23Å; H17-H344 PolarHBondContact CE1-CD2 3.4Å; H17-H344 AromaticContact CE1-CG 3.61Å; H17-H344 AromaticContact CE1-NE2 3.93Å; H17-H344 AromaticContact ND1-CD2 3.96Å; S342-H344 PolarHBondContact O-N 2.89Å; H344-R348 PolarHBondContact NE2-NH2 3.31Å; H344-N369 PolarHBondContact CE1-O 2.85Å; H344-N369 VanDerWaalsContact CE1-O 3.26Å; H344-N369 PolarHBondContact ND1-O 2.85Å; H344-C370 HydrophobicContact CB-CB 4.23Å
345	T	96	Very high	94.5	Very high	68 Å²	68	24 Å²	24	42%	0.417	11%	0.112	S	C	.	.	H	α-helix	trans	-75.6	-47.9	175.8	-52.4	0	0	0	0	110.7	P341 S342 P343 R348	P341-T345 HydrophobicContact CB-CG2 4.31Å; S342-T345 PolarHBondContact O-N 2.69Å; S342-T345 PolarHBondContact OG-N 3.31Å; S342-T345 PolarHBondContact OG-OG1 3.26Å; P343-T345 VanDerWaalsContact C-N 3.3Å; P343-T345 PolarHBondContact O-N 2.76Å; T345-R348 PolarHBondContact O-N 3.34Å
346	A	96.1	Very high	94.2	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-65	-45.8	-173	0	0	0	0	0	112.8	D123 P341 S342 P343 R348 Y349 R350	D123-A346 HydrophobicContact CB-CB 3.6Å; D123-A346 VanDerWaalsContact CG-CB 3.43Å; D123-A346 WeakPolarHBondContact OD1-CB 3.11Å; P341-A346 HydrophobicContact CB-CB 4.12Å; P341-A346 HydrophobicContact CG-CB 4.03Å; S342-A346 WeakPolarHBondContact O-CB 3.32Å; S342-A346 PolarHBondContact O-N 3.23Å; P343-A346 PolarHBondContact O-N 2.88Å; A346-R348 PolarHBondContact O-N 3.09Å; A346-R348 VanDerWaalsContact O-N 3.1Å; A346-Y349 VanDerWaalsContact CA-CE1 3.45Å; A346-Y349 HydrophobicContact CB-CE1 4.41Å; A346-Y349 PolarHBondContact O-N 2.95Å; A346-R350 WeakPolarHBondContact O-CB 3.48Å; A346-R350 VanDerWaalsContact O-CG 3.26Å; A346-R350 WeakPolarHBondContact O-CG 3.36Å; A346-R350 PolarHBondContact O-N 3.35Å
347	Q	96.4	Very high	94.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-63.3	-22.9	-175.5	-70.3	175.7	-162.2	0	0	113.3	P343 Y349 R350 V351 I367 F399	P343-Q347 VanDerWaalsContact O-CB 3.3Å; P343-Q347 WeakPolarHBondContact O-CB 3.46Å; P343-Q347 WeakPolarHBondContact O-CG 3.46Å; P343-Q347 PolarHBondContact O-N 3.43Å; Q347-Y349 PolarHBondContact O-N 3.49Å; Q347-R350 PolarHBondContact O-N 3.33Å; Q347-V351 WeakPolarHBondContact O-CB 3.21Å; Q347-V351 PolarHBondContact O-N 3.11Å; Q347-I367 VanDerWaalsContact CB-O 3.24Å; Q347-I367 WeakPolarHBondContact CB-O 3.24Å; Q347-I367 PolarHBondContact NE2-O 3.25Å; Q347-F399 HydrophobicContact CG-CD1 4.05Å; Q347-F399 PolarHBondContact NE2-O 3.09Å
348	R	95.3	Very high	94	Very high	137 Å²	137	30.8 Å²	30.8	52%	0.517	15%	0.152	S	C	.	.	H	α-helix	trans	-61.2	-44.4	177.7	-71	178.5	179.5	-160.7	-0.4	113.1	H344 T345 A346 R368	H344-R348 PolarHBondContact NE2-NH2 3.31Å; T345-R348 PolarHBondContact O-N 3.34Å; A346-R348 PolarHBondContact O-N 3.09Å; A346-R348 VanDerWaalsContact O-N 3.1Å; R348-R368 HydrophobicContact CB-CG 4.47Å; R348-R368 HydrophobicContact CG-CG 4.29Å; R348-R368 WeakPolarHBondContact CG-O 3.3Å
349	Y	94.1	Very high	94	Very high	35 Å²	35	31.7 Å²	31.7	14%	0.137	16%	0.159	C	C	.	.	H	α-helix	trans	-93.5	-17	178.5	61	-103.7	0	0	0	112.4	R150 L197 P341 A346 Q347	R150-Y349 HydrophobicContact CB-CD2 4.13Å; R150-Y349 HydrophobicContact CB-CE2 4.08Å; R150-Y349 WeakPolarHBondContact CD-O 3.42Å; R150-Y349 PolarHBondContact NH1-O 3.41Å; R150-Y349 WeakPolarHBondContact O-CE2 3.25Å; L197-Y349 HydrophobicContact CD2-CD2 3.91Å; L197-Y349 HydrophobicContact CD2-CE2 3.41Å; L197-Y349 VanDerWaalsContact CD2-CE2 3.41Å; P341-Y349 WeakPolarHBondContact CG-OH 3.47Å; A346-Y349 VanDerWaalsContact CA-CE1 3.45Å; A346-Y349 HydrophobicContact CB-CE1 4.41Å; A346-Y349 PolarHBondContact O-N 2.95Å; Q347-Y349 PolarHBondContact O-N 3.49Å
350	R	94.4	Very high	93.9	Very high	1 Å²	1	35.8 Å²	35.8	0%	0.004	18%	0.183	C	C	.	.	H	α-helix	trans	-86.6	-21.5	178	-65	-175.2	72.9	-152.5	5.7	114.6	L119 R120 T122 D123 E149 R150 A346 Q347 E352 N353 L354	L119-R350 PolarHBondContact O-NH2 3.45Å; R120-R350 PolarHBondContact O-NH2 3.23Å; T122-R350 VanDerWaalsContact O-CZ 3.24Å; T122-R350 PolarHBondContact O-NH1 3.5Å; T122-R350 PolarHBondContact O-NH2 3.26Å; D123-R350 IonicContact OD1-NH1 4Å; D123-R350 PolarHBondContact OD1-NH1 2.73Å; E149-R350 PolarHBondContact O-NE 2.9Å; E149-R350 PolarHBondContact O-NH2 3.02Å; R150-R350 HydrophobicContact CB-CG 4.03Å; A346-R350 WeakPolarHBondContact O-CB 3.48Å; A346-R350 VanDerWaalsContact O-CG 3.26Å; A346-R350 WeakPolarHBondContact O-CG 3.36Å; A346-R350 PolarHBondContact O-N 3.35Å; Q347-R350 PolarHBondContact O-N 3.33Å; R350-E352 PolarHBondContact O-N 3.45Å; R350-E352 VanDerWaalsContact O-N 3.08Å; R350-N353 PolarHBondContact O-N 3.34Å; R350-L354 HydrophobicContact CB-CD1 3.92Å; R350-L354 HydrophobicContact CB-CG 4.33Å; R350-L354 WeakPolarHBondContact O-CG 3.43Å; R350-L354 PolarHBondContact O-N 3.47Å
351	V	94.8	Very high	93.8	Very high	5 Å²	5	37 Å²	37	3%	0.03	19%	0.189	C	C	.	.	H	α-helix	trans	-51.7	-37.3	-176.3	63.9	0	0	0	0	113.2	Q347 N353 L354 Y355 L359 A364 I367 R368	Q347-V351 WeakPolarHBondContact O-CB 3.21Å; Q347-V351 PolarHBondContact O-N 3.11Å; V351-N353 VanDerWaalsContact C-N 3.34Å; V351-N353 PolarHBondContact O-N 3.42Å; V351-L354 PolarHBondContact O-N 3.17Å; V351-Y355 PolarHBondContact O-N 3.29Å; V351-L359 HydrophobicContact CG2-CD2 4.43Å; V351-A364 HydrophobicContact CG2-CB 4.19Å; V351-I367 HydrophobicContact CB-CG2 4.1Å; V351-I367 HydrophobicContact CG2-CB 4.07Å; V351-I367 HydrophobicContact CG2-CG2 3.88Å; V351-R368 HydrophobicContact CB-CB 4.43Å; V351-R368 HydrophobicContact CG1-CB 4.21Å; V351-R368 HydrophobicContact CG1-CG 4.42Å
352	E	89.4	Confident	93.8	Very high	81 Å²	81	41.3 Å²	41.3	38%	0.379	21%	0.208	S	C	.	.	H	α-helix	trans	-65.4	-33.4	177.9	180	-175.5	-156.6	0	0	113.4	R150 L196 R350 L359 R479	R150-E352 IonicContact CZ-OE2 2.77Å; R150-E352 IonicContact NH1-OE2 3.91Å; R150-E352 PolarHBondContact NH1-OE2 3.23Å; R150-E352 IonicContact NH2-OE2 3.31Å; R150-E352 PolarHBondContact NH2-OE2 3.08Å; R150-E352 VanDerWaalsContact NH2-OE2 3.15Å; L196-E352 WeakPolarHBondContact CD1-OE2 3.41Å; R350-E352 PolarHBondContact O-N 3.45Å; R350-E352 VanDerWaalsContact O-N 3.08Å; E352-L359 HydrophobicContact CB-CD1 4.26Å; E352-L359 HydrophobicContact CG-CD1 4.18Å; E352-R479 PolarHBondContact O-NH1 2.9Å; E352-R479 PolarHBondContact O-NH2 3.04Å
353	N	87.3	Confident	93.8	Very high	35 Å²	35	41.4 Å²	41.4	19%	0.187	21%	0.207	C	C	.	.	H	α-helix	trans	-82.8	-23.9	175.8	-73.8	12.7	0	0	0	112	G148 R150 R350 V351 R479	G148-N353 PolarHBondContact O-ND2 2.9Å; R150-N353 VanDerWaalsContact CD-ND2 3.34Å; R150-N353 WeakPolarHBondContact CD-ND2 3.28Å; R150-N353 WeakPolarHBondContact CG-ND2 3.49Å; R150-N353 VanDerWaalsContact CZ-OD1 3.22Å; R150-N353 PolarHBondContact NE-ND2 2.98Å; R150-N353 PolarHBondContact NH1-OD1 3.44Å; R350-N353 PolarHBondContact O-N 3.34Å; V351-N353 VanDerWaalsContact C-N 3.34Å; V351-N353 PolarHBondContact O-N 3.42Å; N353-R479 WeakPolarHBondContact O-CD 3.32Å
354	L	91.7	Very high	93.8	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-90.4	-46.4	-174.6	-67.4	173.9	0	0	0	112.3	R350 V351 F399 I478 R479	R350-L354 HydrophobicContact CB-CD1 3.92Å; R350-L354 HydrophobicContact CB-CG 4.33Å; R350-L354 WeakPolarHBondContact O-CG 3.43Å; R350-L354 PolarHBondContact O-N 3.47Å; V351-L354 PolarHBondContact O-N 3.17Å; L354-F399 HydrophobicContact CD1-CD1 3.93Å; L354-F399 HydrophobicContact CD1-CE1 3.55Å; L354-F399 HydrophobicContact CD1-CZ 3.99Å; L354-F399 HydrophobicContact CD2-CZ 4.31Å; L354-I478 HydrophobicContact CB-CG2 4.34Å; L354-I478 HydrophobicContact CD2-CG2 4.46Å; L354-I478 CarbonylContact O-C 3.01Å; L354-I478 WeakPolarHBondContact O-CA 3.3Å; L354-I478 VanDerWaalsContact O-CG2 3.26Å; L354-I478 WeakPolarHBondContact O-CG2 3.48Å; L354-R479 PolarHBondContact O-N 3.46Å
355	Y	93.9	Very high	93.9	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-95.7	137.2	-168.1	-170.5	-121.9	0	0	0	112.4	V351 G357 D361 Y363 A364 I367 M377 H476 R479	V351-Y355 PolarHBondContact O-N 3.29Å; Y355-G357 WeakPolarHBondContact CD1-O 3.5Å; Y355-G357 VanDerWaalsContact CE1-C 3.44Å; Y355-D361 WeakPolarHBondContact CE1-OD1 3.26Å; Y355-D361 WeakPolarHBondContact CE1-OD2 3.48Å; Y355-D361 PolarHBondContact OH-OD2 2.95Å; Y355-Y363 WeakPolarHBondContact OH-CD2 3.41Å; Y355-A364 HydrophobicContact CD1-CB 3.73Å; Y355-A364 HydrophobicContact CE1-CB 3.94Å; Y355-I367 HydrophobicContact CD2-CD1 4.12Å; Y355-I367 HydrophobicContact CG-CD1 4.37Å; Y355-M377 HydrophobicContact CD2-CE 4.11Å; Y355-M377 HydrophobicContact CE2-CE 3.78Å; Y355-H476 HydrophobicContact CE2-CB 3.83Å; Y355-H476 VanDerWaalsContact CE2-O 3.23Å; Y355-H476 WeakPolarHBondContact CE2-O 3.48Å; Y355-H476 PolarHBondContact OH-N 2.97Å; Y355-R479 PolarHBondContact O-NE 3.15Å; Y355-R479 PolarHBondContact O-NH2 3.5Å
356	E	89.5	Confident	93.9	Very high	72 Å²	72	40.2 Å²	40.2	34%	0.336	20%	0.2	S	C	.	.			trans	-84.9	-23.1	176.5	-71.1	-170.8	-179.8	0	0	113.4	H476 P477 R479	E356-H476 HydrophobicContact CB-CB 4.49Å; E356-P477 WeakPolarHBondContact CB-O 3.44Å; E356-P477 PolarHBondContact N-O 3.46Å; E356-P477 VanDerWaalsContact N-O 3.13Å; E356-P477 WeakPolarHBondContact OE2-CG 3.41Å; E356-R479 HydrophobicContact CB-CG 4.49Å; E356-R479 HydrophobicContact CG-CB 4.21Å; E356-R479 HydrophobicContact CG-CG 3.28Å; E356-R479 WeakPolarHBondContact OE1-CA 3.32Å
357	G	90.7	Very high	94	Very high	10 Å²	10	40.2 Å²	40.2	10%	0.103	20%	0.2	C	C	.	.	S	Bend	trans	-82	-178.9	-175.9	0	0	0	0	0	114.4	Y355 L359 H476	Y355-G357 WeakPolarHBondContact CD1-O 3.5Å; Y355-G357 VanDerWaalsContact CE1-C 3.44Å; G357-L359 PolarHBondContact O-N 2.93Å; G357-H476 VanDerWaalsContact CA-CG 3.47Å
358	P	92.8	Very high	94.1	Very high	65 Å²	65	42.9 Å²	42.9	42%	0.422	21%	0.21	S	C	.	.			trans	-57.6	132.5	176.5	-21.8	33.4	0	0	0	112.5	D360 D361 A364	P358-D360 WeakPolarHBondContact CB-OD1 3.09Å; P358-D360 PolarHBondContact O-N 3.21Å; P358-D361 HydrophobicContact CB-CB 4.43Å; P358-D361 PolarHBondContact O-N 3.47Å; P358-A364 WeakPolarHBondContact O-CB 3.37Å
359	L	92.9	Very high	94.2	Very high	64 Å²	64	39.7 Å²	39.7	34%	0.335	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-9.8	-175.5	-66	-179	0	0	0	114.2	V351 E352 G357 A364 R368	V351-L359 HydrophobicContact CG2-CD2 4.43Å; E352-L359 HydrophobicContact CB-CD1 4.26Å; E352-L359 HydrophobicContact CG-CD1 4.18Å; G357-L359 PolarHBondContact O-N 2.93Å; L359-A364 WeakPolarHBondContact O-CB 3.38Å; L359-R368 PolarHBondContact O-NH1 3.18Å; L359-R368 PolarHBondContact O-NH2 3.47Å
360	D	93.4	Very high	94.3	Very high	132 Å²	132	38 Å²	38	71%	0.706	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-6.3	177.1	61.2	-23.6	0	0	0	113.3	P358 N365	P358-D360 WeakPolarHBondContact CB-OD1 3.09Å; P358-D360 PolarHBondContact O-N 3.21Å; D360-N365 PolarHBondContact O-ND2 3.45Å
361	D	95.2	Very high	94.5	Very high	31 Å²	31	40.4 Å²	40.4	17%	0.166	21%	0.209	C	C	.	.	S	Bend	trans	-73.5	170.5	179.3	80	19.1	0	0	0	113.1	Y355 P358 Y363 A364 N365	Y355-D361 WeakPolarHBondContact CE1-OD1 3.26Å; Y355-D361 WeakPolarHBondContact CE1-OD2 3.48Å; Y355-D361 PolarHBondContact OH-OD2 2.95Å; P358-D361 HydrophobicContact CB-CB 4.43Å; P358-D361 PolarHBondContact O-N 3.47Å; D361-Y363 VanDerWaalsContact C-N 3.28Å; D361-Y363 PolarHBondContact O-N 2.7Å; D361-Y363 WeakPolarHBondContact OD1-CA 2.92Å; D361-Y363 WeakPolarHBondContact OD1-CB 3.18Å; D361-Y363 PolarHBondContact OD1-N 3.4Å; D361-Y363 WeakPolarHBondContact OD2-CD2 3.5Å; D361-A364 WeakPolarHBondContact OD1-CB 3.44Å; D361-A364 PolarHBondContact OD1-N 3.23Å; D361-N365 WeakPolarHBondContact O-CB 3.43Å; D361-N365 PolarHBondContact O-N 3.44Å; D361-N365 PolarHBondContact O-ND2 2.81Å
362	Q	96.1	Very high	94.5	Very high	104 Å²	104	41.9 Å²	41.9	49%	0.486	22%	0.219	S	C	.	.	H	α-helix	trans	-65.7	-28.3	-178.5	62.8	174.4	3.1	0	0	113.5	A366 P375 E472	Q362-A366 VanDerWaalsContact O-CB 3.23Å; Q362-A366 WeakPolarHBondContact O-CB 3.5Å; Q362-A366 PolarHBondContact O-N 3.43Å; Q362-P375 HydrophobicContact CG-CG 4.38Å; Q362-E472 PolarHBondContact NE2-OE2 2.97Å
363	Y	96.7	Very high	94.9	Very high	7 Å²	7	44.8 Å²	44.8	3%	0.027	24%	0.237	C	C	.	.	H	α-helix	trans	-77.2	-47	-176.9	-49.1	-71.6	0	0	0	110.5	Y355 D361 N365 A366 I367 P375 M377 E472 D474 A475	Y355-Y363 WeakPolarHBondContact OH-CD2 3.41Å; D361-Y363 VanDerWaalsContact C-N 3.28Å; D361-Y363 PolarHBondContact O-N 2.7Å; D361-Y363 WeakPolarHBondContact OD1-CA 2.92Å; D361-Y363 WeakPolarHBondContact OD1-CB 3.18Å; D361-Y363 PolarHBondContact OD1-N 3.4Å; D361-Y363 WeakPolarHBondContact OD2-CD2 3.5Å; Y363-N365 VanDerWaalsContact C-N 3.33Å; Y363-N365 PolarHBondContact O-N 2.92Å; Y363-A366 PolarHBondContact O-N 2.99Å; Y363-I367 VanDerWaalsContact O-CG1 3.32Å; Y363-I367 WeakPolarHBondContact O-CG1 3.17Å; Y363-I367 PolarHBondContact O-N 3.16Å; Y363-P375 HydrophobicContact CD1-CB 3.7Å; Y363-P375 HydrophobicContact CD1-CG 3.49Å; Y363-P375 VanDerWaalsContact CD1-CG 3.49Å; Y363-P375 HydrophobicContact CE1-CB 3.8Å; Y363-P375 HydrophobicContact CE1-CG 3.94Å; Y363-P375 HydrophobicContact CG-CG 4.42Å; Y363-M377 HydrophobicContact CD1-SD 3.99Å; Y363-M377 HydrophobicContact CG-SD 4.33Å; Y363-E472 HydrophobicContact CE1-CB 3.64Å; Y363-E472 HydrophobicContact CE1-CG 3.81Å; Y363-E472 WeakPolarHBondContact CE1-OE2 3.43Å; Y363-E472 PolarHBondContact OH-OE2 3.02Å; Y363-E472 VanDerWaalsContact OH-OE2 3.09Å; Y363-D474 HydrophobicContact CE2-CB 4.43Å; Y363-A475 HydrophobicContact CD1-CB 4.04Å; Y363-A475 HydrophobicContact CD2-CB 4.26Å; Y363-A475 HydrophobicContact CE1-CB 3.75Å; Y363-A475 VanDerWaalsContact CE2-CA 3.42Å; Y363-A475 HydrophobicContact CE2-CB 3.95Å; Y363-A475 HydrophobicContact CG-CB 4.29Å; Y363-A475 PolarHBondContact OH-N 3.38Å
364	A	96.8	Very high	95.3	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-59.6	-44.2	172.5	0	0	0	0	0	110.9	V351 Y355 P358 L359 D361 A366 I367 R368	V351-A364 HydrophobicContact CG2-CB 4.19Å; Y355-A364 HydrophobicContact CD1-CB 3.73Å; Y355-A364 HydrophobicContact CE1-CB 3.94Å; P358-A364 WeakPolarHBondContact O-CB 3.37Å; L359-A364 WeakPolarHBondContact O-CB 3.38Å; D361-A364 WeakPolarHBondContact OD1-CB 3.44Å; D361-A364 PolarHBondContact OD1-N 3.23Å; A364-A366 PolarHBondContact O-N 3.49Å; A364-I367 PolarHBondContact O-N 3.5Å; A364-R368 WeakPolarHBondContact O-CB 3.5Å; A364-R368 PolarHBondContact O-N 3.44Å
365	N	97.7	Very high	95.5	Very high	61 Å²	61	44.8 Å²	44.8	33%	0.326	24%	0.242	S	C	.	.	H	α-helix	trans	-62.6	-41.3	175.8	-79.6	-50.1	0	0	0	112.6	D360 D361 Y363 R368 N369	D360-N365 PolarHBondContact O-ND2 3.45Å; D361-N365 WeakPolarHBondContact O-CB 3.43Å; D361-N365 PolarHBondContact O-N 3.44Å; D361-N365 PolarHBondContact O-ND2 2.81Å; Y363-N365 VanDerWaalsContact C-N 3.33Å; Y363-N365 PolarHBondContact O-N 2.92Å; N365-R368 PolarHBondContact O-N 2.88Å; N365-R368 PolarHBondContact OD1-NH1 3.31Å; N365-N369 WeakPolarHBondContact O-CB 3.07Å; N365-N369 PolarHBondContact O-N 3.5Å; N365-N369 PolarHBondContact O-ND2 3.02Å; N365-N369 VanDerWaalsContact O-ND2 3.1Å
366	A	97.9	Very high	95.7	Very high	4 Å²	4	44.8 Å²	44.8	3%	0.033	24%	0.242	C	C	.	.	H	α-helix	trans	-67.7	-40.2	178.3	0	0	0	0	0	112.3	Q362 Y363 A364 C370 D371 P375 A400	Q362-A366 VanDerWaalsContact O-CB 3.23Å; Q362-A366 WeakPolarHBondContact O-CB 3.5Å; Q362-A366 PolarHBondContact O-N 3.43Å; Y363-A366 PolarHBondContact O-N 2.99Å; A364-A366 PolarHBondContact O-N 3.49Å; A366-C370 PolarHBondContact O-N 3.24Å; A366-C370 VanDerWaalsContact O-N 3.12Å; A366-D371 HydrophobicContact CB-CB 4.48Å; A366-D371 PolarHBondContact O-N 3.45Å; A366-P375 HydrophobicContact CB-CG 4.1Å; A366-A400 HydrophobicContact CB-CB 3.67Å
367	I	97.9	Very high	96.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-62.3	-53.1	171.8	-66.9	167.8	0	0	0	109.5	Q347 V351 Y355 Y363 A364 N369 C370 M377 F399 A400	Q347-I367 VanDerWaalsContact CB-O 3.24Å; Q347-I367 WeakPolarHBondContact CB-O 3.24Å; Q347-I367 PolarHBondContact NE2-O 3.25Å; V351-I367 HydrophobicContact CB-CG2 4.1Å; V351-I367 HydrophobicContact CG2-CB 4.07Å; V351-I367 HydrophobicContact CG2-CG2 3.88Å; Y355-I367 HydrophobicContact CD2-CD1 4.12Å; Y355-I367 HydrophobicContact CG-CD1 4.37Å; Y363-I367 VanDerWaalsContact O-CG1 3.32Å; Y363-I367 WeakPolarHBondContact O-CG1 3.17Å; Y363-I367 PolarHBondContact O-N 3.16Å; A364-I367 PolarHBondContact O-N 3.5Å; I367-N369 PolarHBondContact O-N 2.89Å; I367-N369 VanDerWaalsContact O-N 3.15Å; I367-C370 PolarHBondContact O-N 3.28Å; I367-M377 HydrophobicContact CD1-CB 3.93Å; I367-M377 HydrophobicContact CD1-CE 4.41Å; I367-M377 HydrophobicContact CD1-CG 4.02Å; I367-M377 HydrophobicContact CG1-CB 3.86Å; I367-M377 HydrophobicContact CG1-CG 4.07Å; I367-F399 HydrophobicContact CG1-CB 4.12Å; I367-F399 HydrophobicContact CG2-CB 4.28Å; I367-A400 HydrophobicContact CG1-CB 4.04Å
368	R	97.1	Very high	96.5	Very high	57 Å²	57	40.9 Å²	40.9	22%	0.215	22%	0.222	C	C	.	.	H	α-helix	trans	-52.6	-40.7	-178.7	-178.1	-177.4	-67.3	117.7	5.3	112.3	R348 V351 L359 A364 N365	R348-R368 HydrophobicContact CB-CG 4.47Å; R348-R368 HydrophobicContact CG-CG 4.29Å; R348-R368 WeakPolarHBondContact CG-O 3.3Å; V351-R368 HydrophobicContact CB-CB 4.43Å; V351-R368 HydrophobicContact CG1-CB 4.21Å; V351-R368 HydrophobicContact CG1-CG 4.42Å; L359-R368 PolarHBondContact O-NH1 3.18Å; L359-R368 PolarHBondContact O-NH2 3.47Å; A364-R368 WeakPolarHBondContact O-CB 3.5Å; A364-R368 PolarHBondContact O-N 3.44Å; N365-R368 PolarHBondContact O-N 2.88Å; N365-R368 PolarHBondContact OD1-NH1 3.31Å
369	N	96.9	Very high	96.7	Very high	69 Å²	69	37.9 Å²	37.9	37%	0.369	20%	0.202	S	C	.	.	H	α-helix	trans	-89.3	-5	-176.8	-67.8	-36.2	0	0	0	114.2	H344 N365 I367 D371	H344-N369 PolarHBondContact CE1-O 2.85Å; H344-N369 VanDerWaalsContact CE1-O 3.26Å; H344-N369 PolarHBondContact ND1-O 2.85Å; N365-N369 WeakPolarHBondContact O-CB 3.07Å; N365-N369 PolarHBondContact O-N 3.5Å; N365-N369 PolarHBondContact O-ND2 3.02Å; N365-N369 VanDerWaalsContact O-ND2 3.1Å; I367-N369 PolarHBondContact O-N 2.89Å; I367-N369 VanDerWaalsContact O-N 3.15Å; N369-D371 VanDerWaalsContact C-N 3.26Å; N369-D371 HydrophobicContact CB-CB 4.33Å; N369-D371 PolarHBondContact O-N 3.29Å
370	C	97.4	Very high	96.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.1	58.5	-169.1	-163.5	0	0	0	0	108.9	H344 A366 I367 P372 C448	H344-C370 HydrophobicContact CB-CB 4.23Å; A366-C370 PolarHBondContact O-N 3.24Å; A366-C370 VanDerWaalsContact O-N 3.12Å; I367-C370 PolarHBondContact O-N 3.28Å; C370-P372 WeakPolarHBondContact O-CD 3.44Å; C370-C448 PolarHBondContact O-SG 2.94Å; C370-C448 VanDerWaalsContact O-SG 3.35Å; C370-C448 VanDerWaalsContact SG-SG 3.68Å
371	D	97.8	Very high	96.5	Very high	52 Å²	52	28.6 Å²	28.6	28%	0.278	15%	0.153	S	C	.	.			trans	-92.6	111.9	-171.6	-174.8	3.5	0	0	0	111	A366 N369 N373 G374 G401	A366-D371 HydrophobicContact CB-CB 4.48Å; A366-D371 PolarHBondContact O-N 3.45Å; N369-D371 VanDerWaalsContact C-N 3.26Å; N369-D371 HydrophobicContact CB-CB 4.33Å; N369-D371 PolarHBondContact O-N 3.29Å; D371-N373 PolarHBondContact O-N 2.92Å; D371-N373 PolarHBondContact OD1-N 2.88Å; D371-G374 PolarHBondContact O-N 3.07Å; D371-G401 PolarHBondContact O-N 3.1Å
372	P	96.2	Very high	96.1	Very high	35 Å²	35	28 Å²	28	23%	0.227	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-17	178.6	28.9	-35.3	0	0	0	113.1	C370 G401 K402 P447 C448	C370-P372 WeakPolarHBondContact O-CD 3.44Å; P372-G401 CarbonylContact O-C 3.54Å; P372-G401 WeakPolarHBondContact O-CA 3.5Å; P372-K402 HydrophobicContact CB-CG 4.31Å; P372-K402 WeakPolarHBondContact O-CG 3.28Å; P372-P447 HydrophobicContact CB-CB 4.39Å; P372-C448 VanDerWaalsContact CA-SG 3.59Å
373	N	96.5	Very high	95.7	Very high	143 Å²	143	23.2 Å²	23.2	77%	0.765	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-5.3	178.5	-58.3	-50.4	0	0	0	112.8	D371	D371-N373 PolarHBondContact O-N 2.92Å; D371-N373 PolarHBondContact OD1-N 2.88Å
374	G	95.8	Very high	95.1	Very high	18 Å²	18	24.5 Å²	24.5	19%	0.186	13%	0.133	C	C	.	.	S	Bend	trans	-76	176.9	175.5	0	0	0	0	0	113	D371 G401	D371-G374 PolarHBondContact O-N 3.07Å; G374-G401 VanDerWaalsContact O-CA 3.23Å; G374-G401 WeakPolarHBondContact O-CA 3.31Å
375	P	97.2	Very high	94.3	Very high	17 Å²	17	26.8 Å²	26.8	11%	0.11	15%	0.148	C	C	.	.			trans	-58.2	141.2	172.3	25.8	-35.5	0	0	0	110.8	Q362 Y363 A366 M377 A400 E472	Q362-P375 HydrophobicContact CG-CG 4.38Å; Y363-P375 HydrophobicContact CD1-CB 3.7Å; Y363-P375 HydrophobicContact CD1-CG 3.49Å; Y363-P375 VanDerWaalsContact CD1-CG 3.49Å; Y363-P375 HydrophobicContact CE1-CB 3.8Å; Y363-P375 HydrophobicContact CE1-CG 3.94Å; Y363-P375 HydrophobicContact CG-CG 4.42Å; A366-P375 HydrophobicContact CB-CG 4.1Å; P375-M377 PolarHBondContact O-N 3.33Å; P375-A400 CarbonylContact O-C 3.45Å; P375-A400 VanDerWaalsContact O-CB 3.3Å; P375-A400 WeakPolarHBondContact O-CB 3.41Å; P375-E472 HydrophobicContact CB-CG 3.93Å
376	L	98.3	Very high	93.3	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.138	C	C	.	.			trans	-60	124.5	175.8	175.6	61.9	0	0	0	109.2	L378 V398 A400 V403 M407 V409 T468 N469	L376-L378 HydrophobicContact CD1-CB 4Å; L376-L378 HydrophobicContact CG-CB 4.46Å; L376-V398 HydrophobicContact CD1-CG1 3.86Å; L376-A400 WeakPolarHBondContact CA-O 3.41Å; L376-V403 HydrophobicContact CD1-CB 4.17Å; L376-V403 HydrophobicContact CD2-CB 4.35Å; L376-V403 HydrophobicContact CD2-CG2 4.45Å; L376-M407 HydrophobicContact CD2-SD 3.94Å; L376-V409 HydrophobicContact CD2-CG1 3.78Å; L376-T468 WeakPolarHBondContact O-CA 3.47Å; L376-T468 WeakPolarHBondContact O-CB 3.5Å; L376-T468 PolarHBondContact O-OG1 2.88Å; L376-N469 VanDerWaalsContact CB-OD1 3.25Å; L376-N469 WeakPolarHBondContact CB-OD1 3.42Å; L376-N469 PolarHBondContact N-OD1 2.8Å
377	M	98.1	Very high	91.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	107.5	166.1	-64.6	-59.5	-63.5	0	0	107.4	Y355 Y363 I367 P375 F399 A400 T466 A475 H476 I478	Y355-M377 HydrophobicContact CD2-CE 4.11Å; Y355-M377 HydrophobicContact CE2-CE 3.78Å; Y363-M377 HydrophobicContact CD1-SD 3.99Å; Y363-M377 HydrophobicContact CG-SD 4.33Å; I367-M377 HydrophobicContact CD1-CB 3.93Å; I367-M377 HydrophobicContact CD1-CE 4.41Å; I367-M377 HydrophobicContact CD1-CG 4.02Å; I367-M377 HydrophobicContact CG1-CB 3.86Å; I367-M377 HydrophobicContact CG1-CG 4.07Å; P375-M377 PolarHBondContact O-N 3.33Å; M377-F399 WeakPolarHBondContact O-CA 3.49Å; M377-F399 WeakPolarHBondContact O-CB 3.44Å; M377-F399 PolarHBondContact O-N 3.22Å; M377-A400 HydrophobicContact CB-CB 3.93Å; M377-A400 HydrophobicContact CG-CB 4.19Å; M377-A400 PolarHBondContact N-O 2.94Å; M377-A400 PolarHBondContact O-N 3.05Å; M377-A400 VanDerWaalsContact O-N 3.09Å; M377-T466 HydrophobicContact CE-CG2 3.87Å; M377-A475 HydrophobicContact SD-CB 4.44Å; M377-H476 WeakPolarHBondContact CE-O 3.23Å; M377-I478 HydrophobicContact CE-CG1 4.29Å
378	L	97.8	Very high	90.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	130.7	-177.1	-175.9	173.1	0	0	0	109.2	L376 V380 R397 V398 V403 V452 M454 T466 L467	L376-L378 HydrophobicContact CD1-CB 4Å; L376-L378 HydrophobicContact CG-CB 4.46Å; L378-V380 HydrophobicContact CD2-CG2 3.84Å; L378-R397 CarbonylContact C-O 3.43Å; L378-R397 VanDerWaalsContact CA-O 3.32Å; L378-R397 WeakPolarHBondContact CA-O 3.25Å; L378-R397 WeakPolarHBondContact CG-O 3.42Å; L378-V398 HydrophobicContact CD1-CG2 3.9Å; L378-V398 HydrophobicContact CG-CG2 4.14Å; L378-V403 HydrophobicContact CD1-CB 3.98Å; L378-V403 HydrophobicContact CD1-CG1 3.86Å; L378-V403 HydrophobicContact CD1-CG2 4.19Å; L378-V452 HydrophobicContact CD1-CG1 3.91Å; L378-V452 HydrophobicContact CG-CG1 4.48Å; L378-M454 HydrophobicContact CD1-CE 3.72Å; L378-M454 HydrophobicContact CD1-SD 3.59Å; L378-M454 VanDerWaalsContact CD1-SD 3.59Å; L378-M454 HydrophobicContact CD2-CE 3.55Å; L378-M454 HydrophobicContact CD2-SD 4.49Å; L378-M454 HydrophobicContact CG-CE 4.34Å; L378-T466 CarbonylContact O-C 3.51Å; L378-T466 WeakPolarHBondContact O-CA 3.39Å; L378-L467 HydrophobicContact CB-CB 4.2Å; L378-L467 HydrophobicContact CD1-CD1 4.38Å; L378-L467 HydrophobicContact CD2-CD1 4.07Å; L378-L467 HydrophobicContact CD2-CG 4.28Å; L378-L467 PolarHBondContact N-O 3.45Å; L378-L467 PolarHBondContact O-N 3.37Å
379	Y	96.1	Very high	88.9	Confident	1 Å²	1	39.2 Å²	39.2	0%	0.004	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	119.1	174.8	-172.4	-109.4	0	0	0	111.1	R120 I121 G396 R397 I478 M481	R120-Y379 HydrophobicContact CB-CE1 4.38Å; R120-Y379 HydrophobicContact CG-CD1 3.77Å; R120-Y379 HydrophobicContact CG-CE1 3.49Å; R120-Y379 VanDerWaalsContact CG-CE1 3.49Å; I121-Y379 HydrophobicContact CG2-CD1 4.24Å; Y379-G396 CarbonylContact O-C 3.46Å; Y379-G396 WeakPolarHBondContact O-CA 3.16Å; Y379-R397 PolarHBondContact N-O 3.06Å; Y379-R397 PolarHBondContact O-N 3.38Å; Y379-I478 HydrophobicContact CD2-CB 3.83Å; Y379-I478 HydrophobicContact CD2-CG2 3.6Å; Y379-I478 HydrophobicContact CE2-CB 4.49Å; Y379-I478 HydrophobicContact CE2-CG2 4.13Å; Y379-I478 HydrophobicContact CG-CG2 4.05Å; Y379-M481 HydrophobicContact CE1-CE 4.24Å
380	V	94.2	Very high	87.6	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	112.6	169.3	178.3	0	0	0	0	107.6	L378 M383 A394 M454 I461 N464 A465 L467	L378-V380 HydrophobicContact CD2-CG2 3.84Å; V380-M383 HydrophobicContact CG1-SD 4.04Å; V380-A394 HydrophobicContact CG1-CB 3.83Å; V380-A394 HydrophobicContact CG2-CB 4.08Å; V380-M454 HydrophobicContact CG2-CE 3.73Å; V380-I461 HydrophobicContact CG1-CD1 4.47Å; V380-I461 HydrophobicContact CG1-CG2 4.24Å; V380-I461 HydrophobicContact CG2-CD1 4.09Å; V380-N464 VanDerWaalsContact O-CA 3.23Å; V380-N464 WeakPolarHBondContact O-CA 3.12Å; V380-N464 WeakPolarHBondContact O-CB 3.36Å; V380-A465 HydrophobicContact CB-CB 4.49Å; V380-A465 PolarHBondContact N-O 3.16Å; V380-A465 PolarHBondContact O-N 2.89Å; V380-L467 HydrophobicContact CG2-CD1 3.94Å; V380-L467 HydrophobicContact CG2-CG 4.06Å
381	S	89.5	Confident	86.9	Confident	2 Å²	2	42.8 Å²	42.8	1%	0.014	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	-31.4	-176.3	-167.8	0	0	0	0	113	A117 F395 M481	A117-S381 WeakPolarHBondContact CA-OG 3.31Å; A117-S381 WeakPolarHBondContact CB-OG 3.38Å; A117-S381 PolarHBondContact O-OG 3.46Å; S381-F395 PolarHBondContact N-O 2.88Å; S381-M481 WeakPolarHBondContact O-CE 3.46Å
382	K	85.9	Confident	86.3	Confident	19 Å²	19	40.6 Å²	40.6	8%	0.083	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	158.8	177.9	69.9	179	-166.8	164.6	0	113.1	S72 E114 I384 F395	S72-K382 PolarHBondContact O-NZ 2.8Å; E114-K382 IonicContact OE2-NZ 2.92Å; E114-K382 PolarHBondContact OE2-NZ 3.47Å; E114-K382 VanDerWaalsContact OE2-NZ 3.09Å; K382-I384 HydrophobicContact CD-CG1 4.46Å; K382-I384 HydrophobicContact CG-CG1 4.18Å; K382-F395 HydrophobicContact CG-CB 4.31Å; K382-F395 HydrophobicContact CG-CD1 4.2Å; K382-F395 PolarHBondContact N-O 3.3Å; K382-F395 PolarHBondContact O-N 2.9Å
383	M	88.1	Confident	86	Confident	3 Å²	3	39.2 Å²	39.2	2%	0.015	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	124.3	172.3	-57.6	-57.8	-63	0	0	109.4	V380 F392 F393 A394 D458 I461 K513	V380-M383 HydrophobicContact CG1-SD 4.04Å; M383-F392 HydrophobicContact CB-CB 4.3Å; M383-F392 HydrophobicContact CB-CD1 3.82Å; M383-F392 HydrophobicContact CB-CG 4.38Å; M383-F392 HydrophobicContact CE-CB 3.68Å; M383-F393 CarbonylContact C-O 3.53Å; M383-F393 WeakPolarHBondContact CA-O 3.35Å; M383-A394 HydrophobicContact CE-CB 4.04Å; M383-A394 HydrophobicContact SD-CB 3.91Å; M383-D458 HydrophobicContact CE-CB 3.88Å; M383-I461 HydrophobicContact CE-CB 4.42Å; M383-I461 HydrophobicContact CG-CG2 4.3Å; M383-I461 HydrophobicContact SD-CB 3.94Å; M383-I461 HydrophobicContact SD-CG2 3.55Å; M383-I461 VanDerWaalsContact SD-CG2 3.55Å; M383-K513 HydrophobicContact CB-CG 4.11Å; M383-K513 HydrophobicContact CG-CG 4.03Å
384	I	84.2	Confident	85.7	Confident	33 Å²	33	32.4 Å²	32.4	17%	0.169	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	123.4	179.9	-56.2	179.1	0	0	0	108.4	K382 A386 F392 F393 F395 W435	K382-I384 HydrophobicContact CD-CG1 4.46Å; K382-I384 HydrophobicContact CG-CG1 4.18Å; I384-A386 PolarHBondContact O-N 2.85Å; I384-F392 CarbonylContact O-C 3.57Å; I384-F392 VanDerWaalsContact O-CA 3.27Å; I384-F392 WeakPolarHBondContact O-CA 3.41Å; I384-F393 HydrophobicContact CB-CB 4.34Å; I384-F393 PolarHBondContact N-O 3.1Å; I384-F393 PolarHBondContact O-N 3.03Å; I384-F395 HydrophobicContact CD1-CB 3.55Å; I384-F395 HydrophobicContact CD1-CD1 4.18Å; I384-F395 HydrophobicContact CD1-CD2 4.33Å; I384-F395 HydrophobicContact CD1-CG 3.77Å; I384-F395 HydrophobicContact CG1-CB 3.95Å; I384-W435 HydrophobicContact CD1-CH2 4.45Å; I384-W435 HydrophobicContact CD1-CZ3 4.33Å; I384-W435 HydrophobicContact CG2-CH2 3.85Å; I384-W435 HydrophobicContact CG2-CZ2 4.4Å
385	P	80	Confident	85.5	Confident	49 Å²	49	32 Å²	32	32%	0.318	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.8	132.6	173.8	-23.2	31.7	0	0	0	111.3	F392 S514 F549	P385-F392 HydrophobicContact CB-CD1 4.45Å; P385-F392 HydrophobicContact CB-CE1 4.18Å; P385-F392 HydrophobicContact CG-CD1 4.24Å; P385-F392 HydrophobicContact CG-CE1 3.75Å; P385-F392 HydrophobicContact CG-CZ 4.47Å; P385-S514 WeakPolarHBondContact CG-OG 3.37Å; P385-F549 HydrophobicContact CB-CE1 4.44Å; P385-F549 HydrophobicContact CG-CE1 4.14Å; P385-F549 HydrophobicContact CG-CZ 4.28Å
386	A	76.5	Confident	85.3	Confident	14 Å²	14	31.2 Å²	31.2	12%	0.116	17%	0.169	C	C	.	.			trans	-89	161.4	174.9	0	0	0	0	0	111.1	I384 D388 R391 F393	I384-A386 PolarHBondContact O-N 2.85Å; A386-D388 WeakPolarHBondContact CB-OD1 3.16Å; A386-D388 PolarHBondContact O-N 3.32Å; A386-R391 HydrophobicContact CB-CB 4.13Å; A386-R391 WeakPolarHBondContact CB-O 3.39Å; A386-R391 PolarHBondContact N-O 2.88Å; A386-F393 HydrophobicContact CB-CD2 3.71Å; A386-F393 HydrophobicContact CB-CE2 3.35Å; A386-F393 HydrophobicContact CB-CZ 4.15Å
387	S	67.6	Low	85.2	Confident	120 Å²	120	31.2 Å²	31.2	84%	0.839	17%	0.169	S	C	*	.	S	Bend	trans	-68.7	-25.7	177.1	53.5	0	0	0	0	112.5
388	D	66.6	Low	85.2	Confident	58 Å²	58	31.2 Å²	31.2	31%	0.31	17%	0.169	S	C	.	.	S	Bend	trans	-75.8	120.8	168.9	54.6	-37.1	0	0	0	110.9	A386 G390 R391	A386-D388 WeakPolarHBondContact CB-OD1 3.16Å; A386-D388 PolarHBondContact O-N 3.32Å; D388-G390 PolarHBondContact O-N 2.96Å; D388-R391 PolarHBondContact O-N 2.96Å; D388-R391 WeakPolarHBondContact OD2-CD 3.42Å; D388-R391 WeakPolarHBondContact OD2-CG 3.19Å; D388-R391 IonicContact OD2-CZ 3.48Å; D388-R391 IonicContact OD2-NE 2.72Å; D388-R391 IonicContact OD2-NH1 3.45Å
389	K	66.5	Low	85.2	Confident	191 Å²	191	31.2 Å²	31.2	83%	0.83	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.6	124.1	-175.6	-69.9	-171.2	177.9	-173.5	0	111.2
390	G	69.1	Low	85.3	Confident	33 Å²	33	31.2 Å²	31.2	34%	0.34	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.1	-2.6	173.1	0	0	0	0	0	115.6	D388	D388-G390 PolarHBondContact O-N 2.96Å
391	R	82.5	Confident	85.5	Confident	111 Å²	111	31.2 Å²	31.2	42%	0.419	17%	0.17	S	C	.	.			trans	-103.9	155.6	176.9	-61.3	-148.9	-174.6	152.9	-10.8	112.7	A386 D388	A386-R391 HydrophobicContact CB-CB 4.13Å; A386-R391 WeakPolarHBondContact CB-O 3.39Å; A386-R391 PolarHBondContact N-O 2.88Å; D388-R391 PolarHBondContact O-N 2.96Å; D388-R391 WeakPolarHBondContact OD2-CD 3.42Å; D388-R391 WeakPolarHBondContact OD2-CG 3.19Å; D388-R391 IonicContact OD2-CZ 3.48Å; D388-R391 IonicContact OD2-NE 2.72Å; D388-R391 IonicContact OD2-NH1 3.45Å
392	F	86.7	Confident	85.9	Confident	6 Å²	6	34 Å²	34	3%	0.026	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	147.4	174.4	-70.2	-107.7	0	0	0	110.9	M383 I384 P385 D458 R510 K513	M383-F392 HydrophobicContact CB-CB 4.3Å; M383-F392 HydrophobicContact CB-CD1 3.82Å; M383-F392 HydrophobicContact CB-CG 4.38Å; M383-F392 HydrophobicContact CE-CB 3.68Å; I384-F392 CarbonylContact O-C 3.57Å; I384-F392 VanDerWaalsContact O-CA 3.27Å; I384-F392 WeakPolarHBondContact O-CA 3.41Å; P385-F392 HydrophobicContact CB-CD1 4.45Å; P385-F392 HydrophobicContact CB-CE1 4.18Å; P385-F392 HydrophobicContact CG-CD1 4.24Å; P385-F392 HydrophobicContact CG-CE1 3.75Å; P385-F392 HydrophobicContact CG-CZ 4.47Å; F392-D458 HydrophobicContact CB-CB 3.88Å; F392-R510 HydrophobicContact CE2-CB 4.22Å; F392-R510 HydrophobicContact CE2-CG 4Å; F392-R510 HydrophobicContact CZ-CB 3.93Å; F392-R510 HydrophobicContact CZ-CG 4.23Å; F392-K513 HydrophobicContact CD1-CD 4.12Å; F392-K513 HydrophobicContact CD2-CD 3.74Å; F392-K513 HydrophobicContact CE1-CB 4.25Å; F392-K513 HydrophobicContact CE1-CD 4.18Å; F392-K513 HydrophobicContact CE1-CG 4.49Å; F392-K513 HydrophobicContact CE2-CD 3.82Å; F392-K513 HydrophobicContact CG-CD 3.91Å; F392-K513 HydrophobicContact CZ-CB 4.2Å; F392-K513 HydrophobicContact CZ-CD 4.04Å
393	F	88.7	Confident	86.4	Confident	6 Å²	6	33.1 Å²	33.1	3%	0.026	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	131.2	163.2	-63.5	-84.5	0	0	0	109.4	M383 I384 A386 F395 V433 W435 Q440 A453 M454 V455	M383-F393 CarbonylContact C-O 3.53Å; M383-F393 WeakPolarHBondContact CA-O 3.35Å; I384-F393 HydrophobicContact CB-CB 4.34Å; I384-F393 PolarHBondContact N-O 3.1Å; I384-F393 PolarHBondContact O-N 3.03Å; A386-F393 HydrophobicContact CB-CD2 3.71Å; A386-F393 HydrophobicContact CB-CE2 3.35Å; A386-F393 HydrophobicContact CB-CZ 4.15Å; F393-F395 PolarHBondContact O-N 2.8Å; F393-V433 HydrophobicContact CE1-CG2 4.43Å; F393-W435 HydrophobicContact CB-CZ3 4.29Å; F393-W435 HydrophobicContact CD1-CZ3 4.49Å; F393-W435 AromaticContact CD2-CH2 3.93Å; F393-W435 HydrophobicContact CD2-CH2 3.93Å; F393-W435 AromaticContact CD2-CZ3 3.91Å; F393-W435 HydrophobicContact CD2-CZ3 3.91Å; F393-W435 HydrophobicContact CE2-CH2 4.21Å; F393-W435 HydrophobicContact CE2-CZ3 4.35Å; F393-W435 HydrophobicContact CG-CH2 4.47Å; F393-W435 AromaticContact CG-CZ3 3.99Å; F393-W435 HydrophobicContact CG-CZ3 3.99Å; F393-Q440 VanDerWaalsContact CZ-OE1 3.29Å; F393-A453 HydrophobicContact CB-CB 4.27Å; F393-A453 HydrophobicContact CD1-CB 4.31Å; F393-M454 WeakPolarHBondContact CA-O 3.47Å; F393-V455 HydrophobicContact CD1-CG2 3.51Å; F393-V455 HydrophobicContact CE1-CG2 3.33Å; F393-V455 HydrophobicContact CZ-CG2 4.44Å
394	A	91.4	Very high	86.8	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	105.8	166.3	0	0	0	0	0	108.2	V380 M383 A453 M454 I461	V380-A394 HydrophobicContact CG1-CB 3.83Å; V380-A394 HydrophobicContact CG2-CB 4.08Å; M383-A394 HydrophobicContact CE-CB 4.04Å; M383-A394 HydrophobicContact SD-CB 3.91Å; A394-A453 CarbonylContact O-C 3.58Å; A394-A453 WeakPolarHBondContact O-CA 3.38Å; A394-M454 HydrophobicContact CB-CB 4.41Å; A394-M454 HydrophobicContact CB-CE 4.13Å; A394-M454 PolarHBondContact N-O 3.44Å; A394-M454 PolarHBondContact O-N 2.98Å; A394-I461 HydrophobicContact CB-CD1 4.12Å
395	F	91.4	Very high	87.4	Confident	10 Å²	10	35.9 Å²	35.9	4%	0.044	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	133.4	-178.6	-177.5	-110.2	0	0	0	111	I103 I121 S381 K382 I384 F393 T451 A453	I103-F395 HydrophobicContact CD1-CE1 4.38Å; I121-F395 HydrophobicContact CD1-CD1 4.1Å; I121-F395 HydrophobicContact CD1-CE1 3.49Å; I121-F395 VanDerWaalsContact CD1-CE1 3.49Å; I121-F395 HydrophobicContact CD1-CZ 4.19Å; S381-F395 PolarHBondContact N-O 2.88Å; K382-F395 HydrophobicContact CG-CB 4.31Å; K382-F395 HydrophobicContact CG-CD1 4.2Å; K382-F395 PolarHBondContact N-O 3.3Å; K382-F395 PolarHBondContact O-N 2.9Å; I384-F395 HydrophobicContact CD1-CB 3.55Å; I384-F395 HydrophobicContact CD1-CD1 4.18Å; I384-F395 HydrophobicContact CD1-CD2 4.33Å; I384-F395 HydrophobicContact CD1-CG 3.77Å; I384-F395 HydrophobicContact CG1-CB 3.95Å; F393-F395 PolarHBondContact O-N 2.8Å; F395-T451 HydrophobicContact CZ-CG2 4.42Å; F395-A453 HydrophobicContact CD2-CB 4.23Å
396	G	92.8	Very high	88.1	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.9	-163.7	-172	0	0	0	0	0	113.5	Y379 T451 V452	Y379-G396 CarbonylContact O-C 3.46Å; Y379-G396 WeakPolarHBondContact O-CA 3.16Å; G396-T451 CarbonylContact O-C 3.53Å; G396-T451 VanDerWaalsContact O-CA 3.26Å; G396-T451 WeakPolarHBondContact O-CA 3.49Å; G396-V452 PolarHBondContact N-O 3.19Å; G396-V452 PolarHBondContact O-N 2.95Å
397	R	95.7	Very high	89.1	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	139.6	177.9	170.8	170.3	172.2	-174.1	-1	111.4	N21 I121 D123 L378 Y379 F399 N450	N21-R397 VanDerWaalsContact ND2-CZ 3.3Å; N21-R397 PolarHBondContact ND2-NH1 2.77Å; I121-R397 HydrophobicContact CB-CB 3.87Å; I121-R397 HydrophobicContact CG2-CB 3.85Å; I121-R397 WeakPolarHBondContact O-CD 3.27Å; I121-R397 PolarHBondContact O-NH1 2.81Å; D123-R397 IonicContact OD1-CZ 3.34Å; D123-R397 IonicContact OD1-NH1 3.16Å; D123-R397 PolarHBondContact OD1-NH1 3.22Å; D123-R397 IonicContact OD1-NH2 2.98Å; D123-R397 PolarHBondContact OD1-NH2 2.91Å; D123-R397 IonicContact OD2-CZ 3.73Å; D123-R397 IonicContact OD2-NH1 2.88Å; D123-R397 PolarHBondContact OD2-NH1 2.88Å; D123-R397 IonicContact OD2-NH2 3.78Å; D123-R397 PolarHBondContact OD2-NH2 2.77Å; L378-R397 CarbonylContact C-O 3.43Å; L378-R397 VanDerWaalsContact CA-O 3.32Å; L378-R397 WeakPolarHBondContact CA-O 3.25Å; L378-R397 WeakPolarHBondContact CG-O 3.42Å; Y379-R397 PolarHBondContact N-O 3.06Å; Y379-R397 PolarHBondContact O-N 3.38Å; R397-F399 HydrophobicContact CB-CE2 4.23Å; R397-F399 HydrophobicContact CB-CZ 4.47Å; R397-F399 HydrophobicContact CG-CD2 4.38Å; R397-F399 HydrophobicContact CG-CE1 4.37Å; R397-F399 HydrophobicContact CG-CE2 4.23Å; R397-F399 HydrophobicContact CG-CZ 4.23Å; R397-N450 WeakPolarHBondContact CA-O 3.12Å; R397-N450 WeakPolarHBondContact CG-O 3.35Å
398	V	97.8	Very high	90.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	115.3	169.8	-167.9	0	0	0	0	107.9	L376 L378 A400 V403 V446 C448 G449 N450 V452	L376-V398 HydrophobicContact CD1-CG1 3.86Å; L378-V398 HydrophobicContact CD1-CG2 3.9Å; L378-V398 HydrophobicContact CG-CG2 4.14Å; V398-A400 WeakPolarHBondContact CG1-O 3Å; V398-V403 HydrophobicContact CG2-CG1 3.76Å; V398-V446 HydrophobicContact CG2-CG1 4.24Å; V398-C448 HydrophobicContact CG1-CB 4.03Å; V398-C448 CarbonylContact O-C 3.3Å; V398-C448 WeakPolarHBondContact O-CA 3.3Å; V398-G449 PolarHBondContact O-N 3.02Å; V398-N450 PolarHBondContact N-O 2.89Å; V398-V452 HydrophobicContact CG2-CG1 3.78Å
399	F	97.9	Very high	92	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	-31.4	177.2	-75	-77.7	0	0	0	112.3	Q347 L354 I367 M377 R397 I478	Q347-F399 HydrophobicContact CG-CD1 4.05Å; Q347-F399 PolarHBondContact NE2-O 3.09Å; L354-F399 HydrophobicContact CD1-CD1 3.93Å; L354-F399 HydrophobicContact CD1-CE1 3.55Å; L354-F399 HydrophobicContact CD1-CZ 3.99Å; L354-F399 HydrophobicContact CD2-CZ 4.31Å; I367-F399 HydrophobicContact CG1-CB 4.12Å; I367-F399 HydrophobicContact CG2-CB 4.28Å; M377-F399 WeakPolarHBondContact O-CA 3.49Å; M377-F399 WeakPolarHBondContact O-CB 3.44Å; M377-F399 PolarHBondContact O-N 3.22Å; R397-F399 HydrophobicContact CB-CE2 4.23Å; R397-F399 HydrophobicContact CB-CZ 4.47Å; R397-F399 HydrophobicContact CG-CD2 4.38Å; R397-F399 HydrophobicContact CG-CE1 4.37Å; R397-F399 HydrophobicContact CG-CE2 4.23Å; R397-F399 HydrophobicContact CG-CZ 4.23Å; F399-I478 HydrophobicContact CD2-CD1 3.75Å; F399-I478 HydrophobicContact CE2-CD1 4.33Å; F399-I478 HydrophobicContact CG-CD1 4.49Å
400	A	98	Very high	93.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	155.6	173.4	0	0	0	0	0	111	A366 I367 P375 L376 M377 V398	A366-A400 HydrophobicContact CB-CB 3.67Å; I367-A400 HydrophobicContact CG1-CB 4.04Å; P375-A400 CarbonylContact O-C 3.45Å; P375-A400 VanDerWaalsContact O-CB 3.3Å; P375-A400 WeakPolarHBondContact O-CB 3.41Å; L376-A400 WeakPolarHBondContact CA-O 3.41Å; M377-A400 HydrophobicContact CB-CB 3.93Å; M377-A400 HydrophobicContact CG-CB 4.19Å; M377-A400 PolarHBondContact N-O 2.94Å; M377-A400 PolarHBondContact O-N 3.05Å; M377-A400 VanDerWaalsContact O-N 3.09Å; V398-A400 WeakPolarHBondContact CG1-O 3Å
401	G	98	Very high	94.7	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.01	13%	0.128	C	C	.	.	S	Bend	trans	69.5	-158.1	-179.2	0	0	0	0	0	113.8	D371 P372 G374 C448	D371-G401 PolarHBondContact O-N 3.1Å; P372-G401 CarbonylContact O-C 3.54Å; P372-G401 WeakPolarHBondContact O-CA 3.5Å; G374-G401 VanDerWaalsContact O-CA 3.23Å; G374-G401 WeakPolarHBondContact O-CA 3.31Å; G401-C448 WeakPolarHBondContact O-CB 3.05Å; G401-C448 PolarHBondContact O-N 3.31Å
402	K	97.9	Very high	95.3	Very high	60 Å²	60	19.4 Å²	19.4	26%	0.261	11%	0.108	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	146.9	173.6	-49.6	-163	173.6	-165.2	0	110.2	D14 P372 M407 V446 P447	D14-K402 IonicContact OD1-NZ 3.52Å; D14-K402 PolarHBondContact OD1-NZ 3.42Å; P372-K402 HydrophobicContact CB-CG 4.31Å; P372-K402 WeakPolarHBondContact O-CG 3.28Å; K402-M407 WeakPolarHBondContact O-CE 3.42Å; K402-V446 WeakPolarHBondContact CA-O 3.39Å; K402-P447 HydrophobicContact CD-CB 4.06Å; K402-P447 HydrophobicContact CG-CB 4.05Å
403	V	97.4	Very high	95.4	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	134.4	168.7	65.5	0	0	0	0	109.1	L376 L378 V398 V429 T432 D445 V446 V452 M454	L376-V403 HydrophobicContact CD1-CB 4.17Å; L376-V403 HydrophobicContact CD2-CB 4.35Å; L376-V403 HydrophobicContact CD2-CG2 4.45Å; L378-V403 HydrophobicContact CD1-CB 3.98Å; L378-V403 HydrophobicContact CD1-CG1 3.86Å; L378-V403 HydrophobicContact CD1-CG2 4.19Å; V398-V403 HydrophobicContact CG2-CG1 3.76Å; V403-V429 HydrophobicContact CG2-CG2 4.01Å; V403-T432 HydrophobicContact CG1-CG2 4.06Å; V403-T432 HydrophobicContact CG2-CG2 4.18Å; V403-D445 CarbonylContact O-C 3.53Å; V403-D445 WeakPolarHBondContact O-CA 3.24Å; V403-D445 WeakPolarHBondContact O-CB 3.42Å; V403-V446 HydrophobicContact CG1-CB 4.14Å; V403-V446 PolarHBondContact N-O 3.26Å; V403-V446 PolarHBondContact O-N 3.47Å; V403-V452 HydrophobicContact CG1-CG1 4.18Å; V403-V452 HydrophobicContact CG1-CG2 4.27Å; V403-M454 HydrophobicContact CG2-SD 3.98Å
404	S	96.9	Very high	95	Very high	33 Å²	33	21.5 Å²	21.5	23%	0.231	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	153.2	-177.6	-47.3	0	0	0	0	111.7	G406 M407 E444 D445	S404-G406 PolarHBondContact O-N 2.89Å; S404-M407 WeakPolarHBondContact O-CB 3.39Å; S404-M407 PolarHBondContact O-N 3.21Å; S404-M407 VanDerWaalsContact O-N 3.08Å; S404-E444 CarbonylContact C-O 3.41Å; S404-E444 VanDerWaalsContact CA-O 3.29Å; S404-E444 WeakPolarHBondContact CA-O 3.11Å; S404-E444 WeakPolarHBondContact CB-O 3.19Å; S404-D445 WeakPolarHBondContact OG-CB 3.4Å
405	T	96.1	Very high	94.6	Very high	61 Å²	61	26 Å²	26	37%	0.374	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	130.8	168.1	-72.5	0	0	0	0	110.2	M407 Q430 T432 V443 E444	T405-M407 VanDerWaalsContact C-N 3.29Å; T405-M407 PolarHBondContact O-N 3.46Å; T405-Q430 WeakPolarHBondContact CG2-O 3.23Å; T405-T432 PolarHBondContact N-OG1 2.76Å; T405-T432 PolarHBondContact OG1-N 3.42Å; T405-T432 PolarHBondContact OG1-OG1 2.98Å; T405-V443 PolarHBondContact OG1-O 3.21Å; T405-E444 PolarHBondContact N-O 2.68Å
406	G	95.1	Very high	94.3	Very high	48 Å²	48	25.9 Å²	25.9	50%	0.495	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.7	-11.8	-176.3	0	0	0	0	0	115.2	S404 K408 V429	S404-G406 PolarHBondContact O-N 2.89Å; G406-K408 PolarHBondContact O-N 2.9Å; G406-V429 VanDerWaalsContact CA-O 3.25Å; G406-V429 WeakPolarHBondContact CA-O 3.48Å; G406-V429 PolarHBondContact N-O 3.43Å
407	M	96.6	Very high	93.9	Very high	45 Å²	45	29.8 Å²	29.8	22%	0.222	17%	0.167	C	C	.	.			trans	-63.7	133.5	-177.3	-175.9	-179.7	-71.1	0	0	111.7	L376 K402 S404 T405 V409 S428 V429	L376-M407 HydrophobicContact CD2-SD 3.94Å; K402-M407 WeakPolarHBondContact O-CE 3.42Å; S404-M407 WeakPolarHBondContact O-CB 3.39Å; S404-M407 PolarHBondContact O-N 3.21Å; S404-M407 VanDerWaalsContact O-N 3.08Å; T405-M407 VanDerWaalsContact C-N 3.29Å; T405-M407 PolarHBondContact O-N 3.46Å; M407-V409 HydrophobicContact CG-CG1 4.22Å; M407-V409 HydrophobicContact SD-CG1 4.32Å; M407-S428 CarbonylContact O-C 3.59Å; M407-S428 VanDerWaalsContact O-CA 3.31Å; M407-S428 WeakPolarHBondContact O-CA 3.46Å; M407-V429 PolarHBondContact O-N 2.77Å
408	K	97.3	Very high	93.3	Very high	108 Å²	108	32 Å²	32	47%	0.47	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	126.2	168.8	-76.1	-178	175.4	-174.9	0	110.9	G406 K427 S428 E470	G406-K408 PolarHBondContact O-N 2.9Å; K408-K427 WeakPolarHBondContact CA-O 3.42Å; K408-S428 VanDerWaalsContact CG-OG 3.25Å; K408-S428 WeakPolarHBondContact CG-OG 3.42Å; K408-E470 HydrophobicContact CB-CB 4.25Å; K408-E470 WeakPolarHBondContact CD-OE2 3Å; K408-E470 IonicContact NZ-OE1 3.15Å; K408-E470 PolarHBondContact O-N 3.2Å
409	V	97.4	Very high	92.6	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	144.8	-179.2	-62.1	0	0	0	0	111.1	L376 M407 I411 T426 K427 V429 L457 L467 T468	L376-V409 HydrophobicContact CD2-CG1 3.78Å; M407-V409 HydrophobicContact CG-CG1 4.22Å; M407-V409 HydrophobicContact SD-CG1 4.32Å; V409-I411 HydrophobicContact CG2-CG1 4.34Å; V409-T426 WeakPolarHBondContact O-CA 3.22Å; V409-K427 WeakPolarHBondContact CG2-O 3.44Å; V409-K427 PolarHBondContact N-O 3.3Å; V409-K427 PolarHBondContact O-N 3.33Å; V409-V429 HydrophobicContact CG1-CG2 3.95Å; V409-V429 HydrophobicContact CG2-CG2 3.97Å; V409-L457 HydrophobicContact CG2-CD1 4.36Å; V409-L457 HydrophobicContact CG2-CD2 4.2Å; V409-L467 HydrophobicContact CB-CB 4.49Å; V409-L467 HydrophobicContact CG2-CD1 4.45Å; V409-T468 CarbonylContact C-O 3.54Å; V409-T468 WeakPolarHBondContact CA-O 3.39Å; V409-T468 WeakPolarHBondContact CB-O 3.27Å
410	R	96.7	Very high	92.1	Very high	29 Å²	29	40.2 Å²	40.2	11%	0.109	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	131.3	163.8	-58.9	172.4	63.4	79.9	-5.1	107.6	Y425 L467 T468 N469 E470 E472	R410-Y425 CarbonylContact C-O 3.5Å; R410-Y425 WeakPolarHBondContact CA-O 3.4Å; R410-L467 VanDerWaalsContact O-CA 3.27Å; R410-L467 WeakPolarHBondContact O-CA 3.33Å; R410-T468 HydrophobicContact CB-CG2 3.82Å; R410-T468 HydrophobicContact CG-CG2 4.33Å; R410-T468 PolarHBondContact N-O 2.85Å; R410-T468 PolarHBondContact O-N 2.79Å; R410-N469 WeakPolarHBondContact CD-O 3.49Å; R410-N469 WeakPolarHBondContact CG-O 3.37Å; R410-E470 WeakPolarHBondContact CD-O 3.39Å; R410-E472 WeakPolarHBondContact CD-O 3.4Å; R410-E472 PolarHBondContact NE-O 3.17Å
411	I	96.8	Very high	91.6	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	110.7	178.6	-49.5	176.9	0	0	0	106.7	V409 L424 Y425 K427 L457 F460 I461 A465 L467	V409-I411 HydrophobicContact CG2-CG1 4.34Å; I411-L424 WeakPolarHBondContact O-CA 3.49Å; I411-Y425 PolarHBondContact N-O 2.72Å; I411-Y425 PolarHBondContact O-N 3.13Å; I411-K427 HydrophobicContact CD1-CB 4.12Å; I411-K427 HydrophobicContact CD1-CG 4.2Å; I411-L457 HydrophobicContact CD1-CB 4.48Å; I411-L457 HydrophobicContact CD1-CD2 4.13Å; I411-F460 HydrophobicContact CD1-CB 3.69Å; I411-F460 HydrophobicContact CD1-CD2 4.35Å; I411-F460 HydrophobicContact CD1-CG 4.23Å; I411-I461 HydrophobicContact CG2-CD1 4.2Å; I411-I461 HydrophobicContact CG2-CG1 3.72Å; I411-A465 HydrophobicContact CG2-CB 3.91Å; I411-L467 HydrophobicContact CB-CD2 3.96Å; I411-L467 HydrophobicContact CG1-CD2 3.83Å; I411-L467 HydrophobicContact CG2-CD2 3.76Å
412	M	94.7	Very high	91.1	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.005	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	105.2	174.1	-61.9	179.5	-71.3	0	0	107.8	Y416 L424 A465 T466 T468 A475 P477	M412-Y416 HydrophobicContact CB-CD1 3.61Å; M412-Y416 HydrophobicContact CB-CE1 4.24Å; M412-Y416 HydrophobicContact CB-CG 4.03Å; M412-Y416 HydrophobicContact CG-CD1 3.58Å; M412-Y416 HydrophobicContact CG-CE1 3.67Å; M412-Y416 HydrophobicContact CG-CG 4.19Å; M412-Y416 HydrophobicContact SD-CD1 3.74Å; M412-Y416 HydrophobicContact SD-CE1 3.4Å; M412-Y416 WeakPolarHBondContact SD-CE1 3.3Å; M412-L424 HydrophobicContact CG-CD1 3.95Å; M412-A465 CarbonylContact O-C 3.53Å; M412-A465 WeakPolarHBondContact O-CA 3.39Å; M412-T466 WeakPolarHBondContact CB-O 3.33Å; M412-T466 HydrophobicContact CE-CG2 3.55Å; M412-T466 PolarHBondContact N-O 2.98Å; M412-T466 PolarHBondContact O-N 3.43Å; M412-T468 HydrophobicContact CE-CG2 4.04Å; M412-A475 HydrophobicContact CE-CB 4.29Å; M412-P477 HydrophobicContact CB-CB 4.46Å
413	G	89.4	Confident	90.6	Very high	4 Å²	4	54.2 Å²	54.2	4%	0.041	30%	0.303	C	S	.	.			trans	-72.5	174.3	176.9	0	0	0	0	0	112.7	N415 Y416 D423	G413-N415 PolarHBondContact O-N 3.39Å; G413-N415 VanDerWaalsContact O-N 3.15Å; G413-Y416 VanDerWaalsContact O-CB 3.29Å; G413-Y416 WeakPolarHBondContact O-CB 3.35Å; G413-Y416 PolarHBondContact O-N 3.01Å; G413-Y416 VanDerWaalsContact O-N 3.08Å; G413-D423 VanDerWaalsContact CA-OD2 3.26Å; G413-D423 WeakPolarHBondContact CA-OD2 3.4Å; G413-D423 PolarHBondContact N-O 3.33Å
414	P	80.3	Confident	90.4	Very high	51 Å²	51	56 Å²	56	33%	0.331	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-22.1	-175.8	23.1	-32.7	0	0	0	114.1	D423 N464	P414-D423 WeakPolarHBondContact CD-OD2 3.19Å; P414-N464 WeakPolarHBondContact CB-OD1 3.42Å; P414-N464 WeakPolarHBondContact CD-O 3Å
415	N	81.4	Confident	90.3	Very high	95 Å²	95	58.9 Å²	58.9	51%	0.508	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	4.5	179.9	-56.7	-64.7	0	0	0	112.9	G413 I417 D423	G413-N415 PolarHBondContact O-N 3.39Å; G413-N415 VanDerWaalsContact O-N 3.15Å; N415-I417 PolarHBondContact O-N 2.82Å; N415-D423 HydrophobicContact CB-CB 4.19Å; N415-D423 WeakPolarHBondContact CB-OD2 3.26Å; N415-D423 PolarHBondContact N-OD2 2.81Å
416	Y	86.3	Confident	90.3	Very high	8 Å²	8	58.6 Å²	58.6	3%	0.031	32%	0.317	C	S	.	.			trans	-67.9	129.7	176.9	173.1	-110	0	0	0	110.2	M412 G413 P418 E420 L424 P477	M412-Y416 HydrophobicContact CB-CD1 3.61Å; M412-Y416 HydrophobicContact CB-CE1 4.24Å; M412-Y416 HydrophobicContact CB-CG 4.03Å; M412-Y416 HydrophobicContact CG-CD1 3.58Å; M412-Y416 HydrophobicContact CG-CE1 3.67Å; M412-Y416 HydrophobicContact CG-CG 4.19Å; M412-Y416 HydrophobicContact SD-CD1 3.74Å; M412-Y416 HydrophobicContact SD-CE1 3.4Å; M412-Y416 WeakPolarHBondContact SD-CE1 3.3Å; G413-Y416 VanDerWaalsContact O-CB 3.29Å; G413-Y416 WeakPolarHBondContact O-CB 3.35Å; G413-Y416 PolarHBondContact O-N 3.01Å; G413-Y416 VanDerWaalsContact O-N 3.08Å; Y416-P418 HydrophobicContact CE1-CG 4.4Å; Y416-E420 WeakPolarHBondContact CE2-O 3.34Å; Y416-L424 HydrophobicContact CD2-CB 3.79Å; Y416-L424 HydrophobicContact CD2-CD1 4.29Å; Y416-L424 HydrophobicContact CD2-CG 4.43Å; Y416-L424 HydrophobicContact CE2-CB 3.89Å; Y416-L424 HydrophobicContact CE2-CD1 3.97Å; Y416-L424 HydrophobicContact CE2-CD2 3.89Å; Y416-L424 HydrophobicContact CE2-CG 4.12Å; Y416-P477 HydrophobicContact CD1-CG 4.37Å
417	I	83.4	Confident	90.4	Very high	81 Å²	81	60.3 Å²	60.3	42%	0.415	31%	0.311	S	S	.	.			trans	-112.3	127.5	171.5	-61	174.9	0	0	0	107.2	N415 G419 E420	N415-I417 PolarHBondContact O-N 2.82Å; I417-G419 PolarHBondContact O-N 2.93Å; I417-E420 HydrophobicContact CB-CG 4.21Å; I417-E420 HydrophobicContact CG2-CG 4.48Å; I417-E420 WeakPolarHBondContact O-CB 3.32Å; I417-E420 PolarHBondContact O-N 2.92Å
418	P	84.2	Confident	90.4	Very high	48 Å²	48	60.6 Å²	60.6	31%	0.312	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.5	128.3	177	-28.5	34.7	0	0	0	112.6	Y416 H476	Y416-P418 HydrophobicContact CE1-CG 4.4Å; P418-H476 HydrophobicContact CG-CB 4.33Å; P418-H476 WeakPolarHBondContact CG-CD2 3.18Å
419	G	83.1	Confident	90.3	Very high	80 Å²	80	55.5 Å²	55.5	83%	0.825	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.9	-16.7	-176.4	0	0	0	0	0	114.8	I417	I417-G419 PolarHBondContact O-N 2.93Å
420	E	87.3	Confident	90.2	Very high	91 Å²	91	60.4 Å²	60.4	43%	0.425	32%	0.318	S	S	.	.			trans	-91.2	171.1	174.6	-61.1	-168.8	-173.1	0	0	112.5	Y416 I417	Y416-E420 WeakPolarHBondContact CE2-O 3.34Å; I417-E420 HydrophobicContact CB-CG 4.21Å; I417-E420 HydrophobicContact CG2-CG 4.48Å; I417-E420 WeakPolarHBondContact O-CB 3.32Å; I417-E420 PolarHBondContact O-N 2.92Å
421	K	87.7	Confident	90	Very high	188 Å²	188	63.3 Å²	63.3	82%	0.817	33%	0.329	S	S	*	.			trans	-106.7	-6.1	173.8	-65.9	-175.9	-179.7	178.5	0	113.4
422	K	87.5	Confident	89.8	Confident	141 Å²	141	63.3 Å²	63.3	61%	0.613	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	133.3	-178.8	-172.9	-177.1	176.6	-173.7	0	109.2	L424	K422-L424 PolarHBondContact O-N 3.5Å
423	D	88	Confident	89.4	Confident	26 Å²	26	63.3 Å²	63.3	14%	0.139	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.1	28	178.1	-150.7	19.7	0	0	0	114.4	G413 P414 N415	G413-D423 VanDerWaalsContact CA-OD2 3.26Å; G413-D423 WeakPolarHBondContact CA-OD2 3.4Å; G413-D423 PolarHBondContact N-O 3.33Å; P414-D423 WeakPolarHBondContact CD-OD2 3.19Å; N415-D423 HydrophobicContact CB-CB 4.19Å; N415-D423 WeakPolarHBondContact CB-OD2 3.26Å; N415-D423 PolarHBondContact N-OD2 2.81Å
424	L	93.1	Very high	88.9	Confident	37 Å²	37	63.3 Å²	63.3	19%	0.194	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	125.8	177.8	179	68.9	0	0	0	110.6	I411 M412 Y416 K422	I411-L424 WeakPolarHBondContact O-CA 3.49Å; M412-L424 HydrophobicContact CG-CD1 3.95Å; Y416-L424 HydrophobicContact CD2-CB 3.79Å; Y416-L424 HydrophobicContact CD2-CD1 4.29Å; Y416-L424 HydrophobicContact CD2-CG 4.43Å; Y416-L424 HydrophobicContact CE2-CB 3.89Å; Y416-L424 HydrophobicContact CE2-CD1 3.97Å; Y416-L424 HydrophobicContact CE2-CD2 3.89Å; Y416-L424 HydrophobicContact CE2-CG 4.12Å; K422-L424 PolarHBondContact O-N 3.5Å
425	Y	94.8	Very high	88.6	Confident	95 Å²	95	63 Å²	63	37%	0.373	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	162.1	178.3	-50.5	-83.9	0	0	0	111.8	R410 I411 F460	R410-Y425 CarbonylContact C-O 3.5Å; R410-Y425 WeakPolarHBondContact CA-O 3.4Å; I411-Y425 PolarHBondContact N-O 2.72Å; I411-Y425 PolarHBondContact O-N 3.13Å; Y425-F460 AromaticContact CD1-CD1 3.76Å; Y425-F460 HydrophobicContact CD1-CD1 3.76Å; Y425-F460 HydrophobicContact CD1-CE1 4.47Å; Y425-F460 HydrophobicContact CD2-CB 4Å; Y425-F460 HydrophobicContact CD2-CD1 4.45Å; Y425-F460 HydrophobicContact CE1-CD1 4.27Å; Y425-F460 HydrophobicContact CG-CB 4.1Å; Y425-F460 AromaticContact CG-CD1 3.86Å; Y425-F460 HydrophobicContact CG-CD1 3.86Å; Y425-F460 HydrophobicContact CG-CG 4.32Å
426	T	95.7	Very high	87.9	Confident	54 Å²	54	59.3 Å²	59.3	33%	0.331	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	119.5	171.5	-57.6	0	0	0	0	109.3	V409 E470	V409-T426 WeakPolarHBondContact O-CA 3.22Å; T426-E470 HydrophobicContact CG2-CB 4.44Å; T426-E470 HydrophobicContact CG2-CG 3.9Å
427	K	96.3	Very high	86.7	Confident	85 Å²	85	60 Å²	60	37%	0.37	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	160.1	-171.8	-64	-68.8	163.5	170.6	0	111.6	K408 V409 I411 L457 F460	K408-K427 WeakPolarHBondContact CA-O 3.42Å; V409-K427 WeakPolarHBondContact CG2-O 3.44Å; V409-K427 PolarHBondContact N-O 3.3Å; V409-K427 PolarHBondContact O-N 3.33Å; I411-K427 HydrophobicContact CD1-CB 4.12Å; I411-K427 HydrophobicContact CD1-CG 4.2Å; K427-L457 HydrophobicContact CB-CD2 4.2Å; K427-F460 HydrophobicContact CB-CD2 4.46Å; K427-F460 HydrophobicContact CB-CE2 4.49Å; K427-F460 HydrophobicContact CD-CD2 4.16Å; K427-F460 HydrophobicContact CD-CE1 4.19Å; K427-F460 HydrophobicContact CD-CE2 3.54Å; K427-F460 HydrophobicContact CD-CZ 3.58Å; K427-F460 VanDerWaalsContact CE-CE1 3.41Å; K427-F460 HydrophobicContact CG-CD1 4.39Å; K427-F460 HydrophobicContact CG-CD2 3.61Å; K427-F460 HydrophobicContact CG-CE1 4.34Å; K427-F460 HydrophobicContact CG-CE2 3.54Å; K427-F460 HydrophobicContact CG-CG 4.06Å; K427-F460 HydrophobicContact CG-CZ 3.95Å
428	S	96.6	Very high	85.6	Confident	51 Å²	51	63.6 Å²	63.6	36%	0.357	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	134.3	176.7	-67.2	0	0	0	0	111.6	M407 K408 Q430	M407-S428 CarbonylContact O-C 3.59Å; M407-S428 VanDerWaalsContact O-CA 3.31Å; M407-S428 WeakPolarHBondContact O-CA 3.46Å; K408-S428 VanDerWaalsContact CG-OG 3.25Å; K408-S428 WeakPolarHBondContact CG-OG 3.42Å; S428-Q430 PolarHBondContact O-N 3.23Å
429	V	96.1	Very high	84.8	Confident	0 Å²	0	69 Å²	69	0%	0	34%	0.337	C	S	.	.			trans	-66.4	117.5	166.1	-179.7	0	0	0	0	107.8	V403 G406 M407 V409 T432 M454 L457	V403-V429 HydrophobicContact CG2-CG2 4.01Å; G406-V429 VanDerWaalsContact CA-O 3.25Å; G406-V429 WeakPolarHBondContact CA-O 3.48Å; G406-V429 PolarHBondContact N-O 3.43Å; M407-V429 PolarHBondContact O-N 2.77Å; V409-V429 HydrophobicContact CG1-CG2 3.95Å; V409-V429 HydrophobicContact CG2-CG2 3.97Å; V429-T432 HydrophobicContact CG1-CG2 3.99Å; V429-M454 HydrophobicContact CG1-CB 4.1Å; V429-M454 HydrophobicContact CG1-CG 4.03Å; V429-M454 HydrophobicContact CG2-SD 4.27Å; V429-L457 HydrophobicContact CG2-CD1 4.27Å; V429-L457 HydrophobicContact CG2-CD2 4.45Å
430	Q	94.6	Very high	84.3	Confident	103 Å²	103	68.9 Å²	68.9	48%	0.481	31%	0.314	S	S	.	.			trans	-75.7	-39.9	-178.2	-68.9	179.2	3.8	0	0	111.9	T405 S428 V455	T405-Q430 WeakPolarHBondContact CG2-O 3.23Å; S428-Q430 PolarHBondContact O-N 3.23Å; Q430-V455 HydrophobicContact CB-CB 4.47Å; Q430-V455 HydrophobicContact CB-CG1 4.46Å; Q430-V455 WeakPolarHBondContact CB-O 3.31Å; Q430-V455 PolarHBondContact N-O 2.89Å
431	R	92.6	Very high	83.9	Confident	91 Å²	91	68.4 Å²	68.4	34%	0.343	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	144.9	178.1	-68.9	-176.4	-77	136	-3.3	110.7	V433 M454 V455	R431-V433 HydrophobicContact CB-CG2 4.45Å; R431-M454 WeakPolarHBondContact O-CA 3.48Å; R431-V455 HydrophobicContact CB-CB 4.12Å; R431-V455 HydrophobicContact CB-CG2 4.17Å; R431-V455 PolarHBondContact O-N 3.09Å
432	T	91.9	Very high	83.8	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	129.4	168.6	36.9	0	0	0	0	109.8	V403 T405 V429 V443 E444 V452 M454	V403-T432 HydrophobicContact CG1-CG2 4.06Å; V403-T432 HydrophobicContact CG2-CG2 4.18Å; T405-T432 PolarHBondContact N-OG1 2.76Å; T405-T432 PolarHBondContact OG1-N 3.42Å; T405-T432 PolarHBondContact OG1-OG1 2.98Å; V429-T432 HydrophobicContact CG1-CG2 3.99Å; T432-V443 PolarHBondContact O-N 3.49Å; T432-V443 PolarHBondContact OG1-O 3.42Å; T432-E444 PolarHBondContact OG1-O 3.09Å; T432-V452 HydrophobicContact CG2-CG2 4.34Å; T432-M454 HydrophobicContact CG2-CG 4.47Å
433	V	86.9	Confident	83.9	Confident	1 Å²	1	57 Å²	57	1%	0.006	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	139.7	-170.6	179.5	0	0	0	0	109.8	F393 R431 Q440 E441 A453 V455	F393-V433 HydrophobicContact CE1-CG2 4.43Å; R431-V433 HydrophobicContact CB-CG2 4.45Å; V433-Q440 HydrophobicContact CG1-CB 3.74Å; V433-Q440 HydrophobicContact CG1-CG 4.24Å; V433-E441 CarbonylContact C-O 3.44Å; V433-E441 VanDerWaalsContact CA-O 3.32Å; V433-E441 WeakPolarHBondContact CA-O 3.3Å; V433-A453 HydrophobicContact CB-CB 4.18Å; V433-A453 PolarHBondContact N-O 3.13Å; V433-A453 PolarHBondContact O-N 3.19Å; V433-V455 HydrophobicContact CG2-CG2 4.48Å
434	I	80.2	Confident	84.1	Confident	3 Å²	3	63.7 Å²	63.7	2%	0.015	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	136	173.5	-58.7	172.2	0	0	0	108.7	L9 M13 E441 V443 V446	L9-I434 HydrophobicContact CD2-CD1 3.35Å; L9-I434 HydrophobicContact CD2-CG2 3.98Å; M13-I434 HydrophobicContact CE-CD1 3.36Å; M13-I434 HydrophobicContact CE-CG1 3.9Å; M13-I434 HydrophobicContact CE-CG2 4.24Å; M13-I434 HydrophobicContact SD-CD1 3.62Å; I434-E441 PolarHBondContact N-O 3.2Å; I434-E441 PolarHBondContact O-N 3.39Å; I434-V443 HydrophobicContact CD1-CB 4.22Å; I434-V443 HydrophobicContact CD1-CG1 3.44Å; I434-V443 VanDerWaalsContact CD1-CG1 3.44Å; I434-V443 HydrophobicContact CD1-CG2 3.8Å; I434-V443 HydrophobicContact CG1-CG1 4.09Å; I434-V443 HydrophobicContact CG1-CG2 3.83Å; I434-V446 HydrophobicContact CG1-CG2 4.4Å
435	W	72.9	Confident	84.2	Confident	46 Å²	46	63.4 Å²	63.4	17%	0.174	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	121.7	-178.8	-138.6	-79	0	0	0	111.2	S76 I384 F393 G437 Q440 A453	S76-W435 PolarHBondContact OG-O 2.95Å; S76-W435 VanDerWaalsContact OG-O 3.11Å; I384-W435 HydrophobicContact CD1-CH2 4.45Å; I384-W435 HydrophobicContact CD1-CZ3 4.33Å; I384-W435 HydrophobicContact CG2-CH2 3.85Å; I384-W435 HydrophobicContact CG2-CZ2 4.4Å; F393-W435 HydrophobicContact CB-CZ3 4.29Å; F393-W435 HydrophobicContact CD1-CZ3 4.49Å; F393-W435 AromaticContact CD2-CH2 3.93Å; F393-W435 HydrophobicContact CD2-CH2 3.93Å; F393-W435 AromaticContact CD2-CZ3 3.91Å; F393-W435 HydrophobicContact CD2-CZ3 3.91Å; F393-W435 HydrophobicContact CE2-CH2 4.21Å; F393-W435 HydrophobicContact CE2-CZ3 4.35Å; F393-W435 HydrophobicContact CG-CH2 4.47Å; F393-W435 AromaticContact CG-CZ3 3.99Å; F393-W435 HydrophobicContact CG-CZ3 3.99Å; W435-G437 PolarHBondContact NE1-O 3.43Å; W435-Q440 HydrophobicContact CD2-CG 4.34Å; W435-Q440 HydrophobicContact CE3-CG 4.36Å; W435-Q440 HydrophobicContact CH2-CG 4.48Å; W435-Q440 HydrophobicContact CZ2-CG 4.4Å; W435-Q440 VanDerWaalsContact CZ2-NE2 3.3Å; W435-Q440 HydrophobicContact CZ3-CG 4.44Å; W435-A453 HydrophobicContact CE3-CB 3.94Å; W435-A453 HydrophobicContact CZ3-CB 4.15Å
436	M	66.5	Low	84.2	Confident	16 Å²	16	58.9 Å²	58.9	8%	0.079	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	56.6	-178.1	-74.4	-58.9	-53.6	0	0	109.4	V2 F4 L9 I45 S76 K438 R439 E441	V2-M436 HydrophobicContact CG1-CE 4.48Å; F4-M436 HydrophobicContact CE1-CE 4.3Å; F4-M436 HydrophobicContact CE2-CE 3.85Å; F4-M436 HydrophobicContact CE2-SD 4.22Å; F4-M436 HydrophobicContact CZ-CE 3.3Å; F4-M436 HydrophobicContact CZ-SD 4.04Å; L9-M436 HydrophobicContact CD1-SD 3.74Å; I45-M436 HydrophobicContact CD1-CE 4.25Å; S76-M436 WeakPolarHBondContact O-CE 3.34Å; M436-K438 PolarHBondContact O-N 3.32Å; M436-R439 CarbonylContact C-O 3.56Å; M436-R439 WeakPolarHBondContact CA-O 3.44Å; M436-R439 HydrophobicContact CB-CB 4.1Å; M436-R439 WeakPolarHBondContact CB-O 3.38Å; M436-R439 PolarHBondContact N-O 2.99Å; M436-R439 PolarHBondContact O-N 3.46Å; M436-R439 VanDerWaalsContact O-N 3.1Å; M436-E441 HydrophobicContact CG-CG 4.45Å
437	G	61.8	Low	84.3	Confident	23 Å²	23	56.4 Å²	56.4	24%	0.237	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	64	-104.4	-173.6	0	0	0	0	0	111.8	W435	W435-G437 PolarHBondContact NE1-O 3.43Å
438	K	59.4	Low	84.3	Confident	156 Å²	156	52.6 Å²	52.6	68%	0.678	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-10	177.2	-65.7	-174.9	179.5	178.8	0	113.7	M56 M436	M56-K438 PolarHBondContact SD-NZ 2.99Å; M56-K438 VanDerWaalsContact SD-NZ 3.45Å; M436-K438 PolarHBondContact O-N 3.32Å
439	R	67	Low	84.3	Confident	163 Å²	163	50.1 Å²	50.1	62%	0.615	23%	0.233	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-103.9	146.7	178.7	-65.9	-175.8	-177.5	-178.6	-0.5	110.9	M436	M436-R439 CarbonylContact C-O 3.56Å; M436-R439 WeakPolarHBondContact CA-O 3.44Å; M436-R439 HydrophobicContact CB-CB 4.1Å; M436-R439 WeakPolarHBondContact CB-O 3.38Å; M436-R439 PolarHBondContact N-O 2.99Å; M436-R439 PolarHBondContact O-N 3.46Å; M436-R439 VanDerWaalsContact O-N 3.1Å
440	Q	73.7	Confident	84.2	Confident	76 Å²	76	50.1 Å²	50.1	36%	0.355	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	118.3	175.5	-70.2	175.9	2.2	0	0	107.4	F393 V433 W435	F393-Q440 VanDerWaalsContact CZ-OE1 3.29Å; V433-Q440 HydrophobicContact CG1-CB 3.74Å; V433-Q440 HydrophobicContact CG1-CG 4.24Å; W435-Q440 HydrophobicContact CD2-CG 4.34Å; W435-Q440 HydrophobicContact CE3-CG 4.36Å; W435-Q440 HydrophobicContact CH2-CG 4.48Å; W435-Q440 HydrophobicContact CZ2-CG 4.4Å; W435-Q440 VanDerWaalsContact CZ2-NE2 3.3Å; W435-Q440 HydrophobicContact CZ3-CG 4.44Å
441	E	77.9	Confident	84.1	Confident	81 Å²	81	45.8 Å²	45.8	38%	0.379	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	128.3	178.3	-67.2	-61.8	158.2	0	0	109	V433 I434 M436	V433-E441 CarbonylContact C-O 3.44Å; V433-E441 VanDerWaalsContact CA-O 3.32Å; V433-E441 WeakPolarHBondContact CA-O 3.3Å; I434-E441 PolarHBondContact N-O 3.2Å; I434-E441 PolarHBondContact O-N 3.39Å; M436-E441 HydrophobicContact CG-CG 4.45Å
442	T	85.7	Confident	84.1	Confident	78 Å²	78	41.5 Å²	41.5	48%	0.479	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	134.8	175.3	-58.4	0	0	0	0	108.7
443	V	90.3	Very high	84	Confident	13 Å²	13	41.5 Å²	41.5	8%	0.079	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	155.9	176.6	-66.9	0	0	0	0	110.1	T405 T432 I434 V446	T405-V443 PolarHBondContact OG1-O 3.21Å; T432-V443 PolarHBondContact O-N 3.49Å; T432-V443 PolarHBondContact OG1-O 3.42Å; I434-V443 HydrophobicContact CD1-CB 4.22Å; I434-V443 HydrophobicContact CD1-CG1 3.44Å; I434-V443 VanDerWaalsContact CD1-CG1 3.44Å; I434-V443 HydrophobicContact CD1-CG2 3.8Å; I434-V443 HydrophobicContact CG1-CG1 4.09Å; I434-V443 HydrophobicContact CG1-CG2 3.83Å; V443-V446 HydrophobicContact CG2-CG2 3.6Å
444	E	91.9	Very high	84.3	Confident	165 Å²	165	41.5 Å²	41.5	77%	0.771	20%	0.198	S	C	*	.	S	Bend	trans	-68.5	-41.8	-179.3	-63.8	-169.8	160.8	0	0	112.3	S404 T405 T432	S404-E444 CarbonylContact C-O 3.41Å; S404-E444 VanDerWaalsContact CA-O 3.29Å; S404-E444 WeakPolarHBondContact CA-O 3.11Å; S404-E444 WeakPolarHBondContact CB-O 3.19Å; T405-E444 PolarHBondContact N-O 2.68Å; T432-E444 PolarHBondContact OG1-O 3.09Å
445	D	95.1	Very high	84.8	Confident	32 Å²	32	41.6 Å²	41.6	17%	0.171	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	163.4	177.7	78.6	84.1	0	0	0	112.4	R10 V403 S404	R10-D445 WeakPolarHBondContact CD-O 3.02Å; R10-D445 IonicContact CZ-OD1 3.92Å; R10-D445 IonicContact CZ-OD2 3.88Å; R10-D445 PolarHBondContact NE-O 3.04Å; R10-D445 IonicContact NE-OD1 3.99Å; R10-D445 PolarHBondContact NE-OD1 2.96Å; R10-D445 IonicContact NE-OD2 2.64Å; R10-D445 IonicContact NH2-OD1 3.13Å; R10-D445 PolarHBondContact NH2-OD1 3.49Å; R10-D445 IonicContact NH2-OD2 3.16Å; R10-D445 PolarHBondContact NH2-OD2 3.23Å; V403-D445 CarbonylContact O-C 3.53Å; V403-D445 WeakPolarHBondContact O-CA 3.24Å; V403-D445 WeakPolarHBondContact O-CB 3.42Å; S404-D445 WeakPolarHBondContact OG-CB 3.4Å
446	V	95.5	Very high	85.7	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	122.3	174.2	-179.4	0	0	0	0	109.4	M13 V398 K402 V403 I434 V443 N450 V452	M13-V446 HydrophobicContact CE-CG1 4.47Å; M13-V446 HydrophobicContact SD-CG1 4.08Å; M13-V446 HydrophobicContact SD-CG2 4.49Å; V398-V446 HydrophobicContact CG2-CG1 4.24Å; K402-V446 WeakPolarHBondContact CA-O 3.39Å; V403-V446 HydrophobicContact CG1-CB 4.14Å; V403-V446 PolarHBondContact N-O 3.26Å; V403-V446 PolarHBondContact O-N 3.47Å; I434-V446 HydrophobicContact CG1-CG2 4.4Å; V443-V446 HydrophobicContact CG2-CG2 3.6Å; V446-N450 HydrophobicContact CG1-CB 3.62Å; V446-V452 HydrophobicContact CB-CB 4.23Å; V446-V452 HydrophobicContact CB-CG2 4.09Å; V446-V452 HydrophobicContact CG1-CB 4.13Å; V446-V452 HydrophobicContact CG2-CB 4.17Å; V446-V452 HydrophobicContact CG2-CG2 3.68Å
447	P	97.3	Very high	86.9	Confident	2 Å²	2	39.1 Å²	39.1	1%	0.013	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	163.3	178.2	34.2	-35.5	0	0	0	112.6	M13 P372 K402 N450	M13-P447 HydrophobicContact CB-CG 3.81Å; M13-P447 WeakPolarHBondContact O-CG 3.35Å; P372-P447 HydrophobicContact CB-CB 4.39Å; K402-P447 HydrophobicContact CD-CB 4.06Å; K402-P447 HydrophobicContact CG-CB 4.05Å; P447-N450 PolarHBondContact O-ND2 3.29Å; P447-N450 VanDerWaalsContact O-ND2 3.09Å
448	C	97.3	Very high	88.2	Confident	4 Å²	4	38.9 Å²	38.9	3%	0.027	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	148.8	175.5	65	0	0	0	0	113.7	C370 P372 V398 G401 N450	C370-C448 PolarHBondContact O-SG 2.94Å; C370-C448 VanDerWaalsContact O-SG 3.35Å; C370-C448 VanDerWaalsContact SG-SG 3.68Å; P372-C448 VanDerWaalsContact CA-SG 3.59Å; V398-C448 HydrophobicContact CG1-CB 4.03Å; V398-C448 CarbonylContact O-C 3.3Å; V398-C448 WeakPolarHBondContact O-CA 3.3Å; G401-C448 WeakPolarHBondContact O-CB 3.05Å; G401-C448 PolarHBondContact O-N 3.31Å; C448-N450 PolarHBondContact O-ND2 2.97Å
449	G	95.6	Very high	89.5	Confident	0 Å²	0	39 Å²	39	0%	0	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.6	-7.3	-174.4	0	0	0	0	0	114.1	N21 P343 V398	N21-G449 PolarHBondContact ND2-O 3.29Å; P343-G449 WeakPolarHBondContact CG-O 2.96Å; V398-G449 PolarHBondContact O-N 3.02Å
450	N	94.6	Very high	90.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.167	C	C	.	.	S	Bend	trans	-114.5	152.4	-176	-62.7	-83.9	0	0	0	112.6	M13 I19 R397 V398 V446 P447 C448	M13-N450 HydrophobicContact CE-CB 4.03Å; M13-N450 WeakPolarHBondContact CG-OD1 3.26Å; M13-N450 PolarHBondContact O-ND2 2.81Å; M13-N450 HydrophobicContact SD-CB 4.36Å; I19-N450 WeakPolarHBondContact CD1-ND2 3.4Å; I19-N450 VanDerWaalsContact CD1-OD1 3.24Å; I19-N450 WeakPolarHBondContact CD1-OD1 3.46Å; R397-N450 WeakPolarHBondContact CA-O 3.12Å; R397-N450 WeakPolarHBondContact CG-O 3.35Å; V398-N450 PolarHBondContact N-O 2.89Å; V446-N450 HydrophobicContact CG1-CB 3.62Å; P447-N450 PolarHBondContact O-ND2 3.29Å; P447-N450 VanDerWaalsContact O-ND2 3.09Å; C448-N450 PolarHBondContact O-ND2 2.97Å
451	T	92.7	Very high	91.4	Very high	11 Å²	11	29.7 Å²	29.7	7%	0.067	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	150	168	56.3	0	0	0	0	110.6	I121 F395 G396	I121-T451 HydrophobicContact CD1-CG2 4.39Å; F395-T451 HydrophobicContact CZ-CG2 4.42Å; G396-T451 CarbonylContact O-C 3.53Å; G396-T451 VanDerWaalsContact O-CA 3.26Å; G396-T451 WeakPolarHBondContact O-CA 3.49Å
452	V	91.8	Very high	91.6	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.006	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	144.9	-177.1	62.6	0	0	0	0	110.9	L378 G396 V398 V403 T432 V446 M454	L378-V452 HydrophobicContact CD1-CG1 3.91Å; L378-V452 HydrophobicContact CG-CG1 4.48Å; G396-V452 PolarHBondContact N-O 3.19Å; G396-V452 PolarHBondContact O-N 2.95Å; V398-V452 HydrophobicContact CG2-CG1 3.78Å; V403-V452 HydrophobicContact CG1-CG1 4.18Å; V403-V452 HydrophobicContact CG1-CG2 4.27Å; T432-V452 HydrophobicContact CG2-CG2 4.34Å; V446-V452 HydrophobicContact CB-CB 4.23Å; V446-V452 HydrophobicContact CB-CG2 4.09Å; V446-V452 HydrophobicContact CG1-CB 4.13Å; V446-V452 HydrophobicContact CG2-CB 4.17Å; V446-V452 HydrophobicContact CG2-CG2 3.68Å; V452-M454 HydrophobicContact CG2-CG 4.34Å
453	A	91	Very high	91.4	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.008	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	136.3	165.8	0	0	0	0	0	109.8	F393 A394 F395 V433 W435	F393-A453 HydrophobicContact CB-CB 4.27Å; F393-A453 HydrophobicContact CD1-CB 4.31Å; A394-A453 CarbonylContact O-C 3.58Å; A394-A453 WeakPolarHBondContact O-CA 3.38Å; F395-A453 HydrophobicContact CD2-CB 4.23Å; V433-A453 HydrophobicContact CB-CB 4.18Å; V433-A453 PolarHBondContact N-O 3.13Å; V433-A453 PolarHBondContact O-N 3.19Å; W435-A453 HydrophobicContact CE3-CB 3.94Å; W435-A453 HydrophobicContact CZ3-CB 4.15Å
454	M	92.7	Very high	91.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	144.5	179.6	-64.6	166.6	-70.3	0	0	111.5	L378 V380 F393 A394 V403 V429 R431 T432 V452 L457 L467	L378-M454 HydrophobicContact CD1-CE 3.72Å; L378-M454 HydrophobicContact CD1-SD 3.59Å; L378-M454 VanDerWaalsContact CD1-SD 3.59Å; L378-M454 HydrophobicContact CD2-CE 3.55Å; L378-M454 HydrophobicContact CD2-SD 4.49Å; L378-M454 HydrophobicContact CG-CE 4.34Å; V380-M454 HydrophobicContact CG2-CE 3.73Å; F393-M454 WeakPolarHBondContact CA-O 3.47Å; A394-M454 HydrophobicContact CB-CB 4.41Å; A394-M454 HydrophobicContact CB-CE 4.13Å; A394-M454 PolarHBondContact N-O 3.44Å; A394-M454 PolarHBondContact O-N 2.98Å; V403-M454 HydrophobicContact CG2-SD 3.98Å; V429-M454 HydrophobicContact CG1-CB 4.1Å; V429-M454 HydrophobicContact CG1-CG 4.03Å; V429-M454 HydrophobicContact CG2-SD 4.27Å; R431-M454 WeakPolarHBondContact O-CA 3.48Å; T432-M454 HydrophobicContact CG2-CG 4.47Å; V452-M454 HydrophobicContact CG2-CG 4.34Å; M454-L457 HydrophobicContact CB-CD1 4.28Å; M454-L457 HydrophobicContact CE-CD1 4.29Å; M454-L457 HydrophobicContact SD-CD1 4.05Å; M454-L467 HydrophobicContact CE-CD1 3.48Å; M454-L467 VanDerWaalsContact CE-CD1 3.48Å; M454-L467 HydrophobicContact SD-CD1 3.7Å
455	V	91	Very high	91.5	Very high	5 Å²	5	21 Å²	21	3%	0.03	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	145.2	177	-177.1	0	0	0	0	110.6	F393 Q430 R431 V433	F393-V455 HydrophobicContact CD1-CG2 3.51Å; F393-V455 HydrophobicContact CE1-CG2 3.33Å; F393-V455 HydrophobicContact CZ-CG2 4.44Å; Q430-V455 HydrophobicContact CB-CB 4.47Å; Q430-V455 HydrophobicContact CB-CG1 4.46Å; Q430-V455 WeakPolarHBondContact CB-O 3.31Å; Q430-V455 PolarHBondContact N-O 2.89Å; R431-V455 HydrophobicContact CB-CB 4.12Å; R431-V455 HydrophobicContact CB-CG2 4.17Å; R431-V455 PolarHBondContact O-N 3.09Å; V433-V455 HydrophobicContact CG2-CG2 4.48Å
456	G	90.6	Very high	91.5	Very high	11 Å²	11	19.6 Å²	19.6	11%	0.113	10%	0.103	C	C	.	.	S	Bend	trans	93.6	5.6	170.4	0	0	0	0	0	115.6
457	L	92.5	Very high	91.6	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.103	C	C	.	.			trans	-104.4	-5.4	177.3	-54.1	-175.6	0	0	0	113.1	V409 I411 K427 V429 M454 Q459 F460 I461 L467	V409-L457 HydrophobicContact CG2-CD1 4.36Å; V409-L457 HydrophobicContact CG2-CD2 4.2Å; I411-L457 HydrophobicContact CD1-CB 4.48Å; I411-L457 HydrophobicContact CD1-CD2 4.13Å; K427-L457 HydrophobicContact CB-CD2 4.2Å; V429-L457 HydrophobicContact CG2-CD1 4.27Å; V429-L457 HydrophobicContact CG2-CD2 4.45Å; M454-L457 HydrophobicContact CB-CD1 4.28Å; M454-L457 HydrophobicContact CE-CD1 4.29Å; M454-L457 HydrophobicContact SD-CD1 4.05Å; L457-Q459 VanDerWaalsContact C-N 3.34Å; L457-Q459 PolarHBondContact O-N 2.8Å; L457-F460 PolarHBondContact O-N 2.94Å; L457-F460 VanDerWaalsContact O-N 3.07Å; L457-I461 HydrophobicContact CB-CD1 3.81Å; L457-I461 HydrophobicContact CB-CG1 4.49Å; L457-I461 HydrophobicContact CD1-CD1 4.29Å; L457-I461 PolarHBondContact O-N 2.8Å; L457-L467 HydrophobicContact CD1-CD1 3.52Å
458	D	88	Confident	91.6	Very high	17 Å²	17	19.5 Å²	19.5	9%	0.091	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-58.2	-41.5	-171.6	59.7	-37.4	0	0	0	112.6	M383 F392 F460 I461 K513	M383-D458 HydrophobicContact CE-CB 3.88Å; F392-D458 HydrophobicContact CB-CB 3.88Å; D458-F460 PolarHBondContact O-N 3.11Å; D458-I461 PolarHBondContact O-N 3.31Å; D458-K513 VanDerWaalsContact C-NZ 3.25Å; D458-K513 WeakPolarHBondContact O-CE 3.4Å; D458-K513 PolarHBondContact O-NZ 3.18Å
459	Q	87.8	Confident	91.5	Very high	159 Å²	159	21.2 Å²	21.2	74%	0.743	11%	0.111	S	C	*	.	G	3₁₀ helix	trans	-59.3	-18.1	179.2	-65.7	-178.1	-2	0	0	114.7	L457	L457-Q459 VanDerWaalsContact C-N 3.34Å; L457-Q459 PolarHBondContact O-N 2.8Å
460	F	89.9	Confident	91.4	Very high	41 Å²	41	25.1 Å²	25.1	18%	0.18	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-113.8	-7.2	-173.4	-50.5	-77.1	0	0	0	113.3	I411 Y425 K427 L457 D458	I411-F460 HydrophobicContact CD1-CB 3.69Å; I411-F460 HydrophobicContact CD1-CD2 4.35Å; I411-F460 HydrophobicContact CD1-CG 4.23Å; Y425-F460 AromaticContact CD1-CD1 3.76Å; Y425-F460 HydrophobicContact CD1-CD1 3.76Å; Y425-F460 HydrophobicContact CD1-CE1 4.47Å; Y425-F460 HydrophobicContact CD2-CB 4Å; Y425-F460 HydrophobicContact CD2-CD1 4.45Å; Y425-F460 HydrophobicContact CE1-CD1 4.27Å; Y425-F460 HydrophobicContact CG-CB 4.1Å; Y425-F460 AromaticContact CG-CD1 3.86Å; Y425-F460 HydrophobicContact CG-CD1 3.86Å; Y425-F460 HydrophobicContact CG-CG 4.32Å; K427-F460 HydrophobicContact CB-CD2 4.46Å; K427-F460 HydrophobicContact CB-CE2 4.49Å; K427-F460 HydrophobicContact CD-CD2 4.16Å; K427-F460 HydrophobicContact CD-CE1 4.19Å; K427-F460 HydrophobicContact CD-CE2 3.54Å; K427-F460 HydrophobicContact CD-CZ 3.58Å; K427-F460 VanDerWaalsContact CE-CE1 3.41Å; K427-F460 HydrophobicContact CG-CD1 4.39Å; K427-F460 HydrophobicContact CG-CD2 3.61Å; K427-F460 HydrophobicContact CG-CE1 4.34Å; K427-F460 HydrophobicContact CG-CE2 3.54Å; K427-F460 HydrophobicContact CG-CG 4.06Å; K427-F460 HydrophobicContact CG-CZ 3.95Å; L457-F460 PolarHBondContact O-N 2.94Å; L457-F460 VanDerWaalsContact O-N 3.07Å; D458-F460 PolarHBondContact O-N 3.11Å
461	I	89.5	Confident	91.2	Very high	3 Å²	3	33.7 Å²	33.7	2%	0.015	17%	0.166	C	C	.	.			trans	-119.7	114.6	-179.2	-57.3	175.3	0	0	0	108.5	V380 M383 A394 I411 L457 D458 A465 L467 K513	V380-I461 HydrophobicContact CG1-CD1 4.47Å; V380-I461 HydrophobicContact CG1-CG2 4.24Å; V380-I461 HydrophobicContact CG2-CD1 4.09Å; M383-I461 HydrophobicContact CE-CB 4.42Å; M383-I461 HydrophobicContact CG-CG2 4.3Å; M383-I461 HydrophobicContact SD-CB 3.94Å; M383-I461 HydrophobicContact SD-CG2 3.55Å; M383-I461 VanDerWaalsContact SD-CG2 3.55Å; A394-I461 HydrophobicContact CB-CD1 4.12Å; I411-I461 HydrophobicContact CG2-CD1 4.2Å; I411-I461 HydrophobicContact CG2-CG1 3.72Å; L457-I461 HydrophobicContact CB-CD1 3.81Å; L457-I461 HydrophobicContact CB-CG1 4.49Å; L457-I461 HydrophobicContact CD1-CD1 4.29Å; L457-I461 PolarHBondContact O-N 2.8Å; D458-I461 PolarHBondContact O-N 3.31Å; I461-A465 HydrophobicContact CD1-CB 4.04Å; I461-A465 HydrophobicContact CG1-CB 3.92Å; I461-A465 HydrophobicContact CG2-CB 3.96Å; I461-L467 HydrophobicContact CD1-CD2 4.26Å; I461-K513 WeakPolarHBondContact O-CE 3.35Å
462	T	82.1	Confident	91.2	Very high	89 Å²	89	35 Å²	35	55%	0.546	17%	0.172	S	C	.	.	S	Bend	trans	-81.8	-52.8	179.3	-46.9	0	0	0	0	111.8	K513	T462-K513 WeakPolarHBondContact O-CA 3.28Å; T462-K513 WeakPolarHBondContact O-CG 2.99Å
463	K	83	Confident	91.1	Very high	52 Å²	52	38.6 Å²	38.6	23%	0.226	19%	0.194	C	C	.	.	S	Bend	trans	-130.3	-58.8	-178.2	-72.2	-174.5	170.1	-173.7	0	111.5	A512 P516 V518	K463-A512 WeakPolarHBondContact CE-O 3.4Å; K463-P516 WeakPolarHBondContact CE-O 3.25Å; K463-P516 PolarHBondContact NZ-O 2.92Å; K463-V518 PolarHBondContact NZ-O 3.22Å
464	N	89.1	Confident	91.1	Very high	12 Å²	12	44.3 Å²	44.3	6%	0.064	22%	0.224	C	C	.	.			trans	-134	165.7	176.6	56.6	44.1	0	0	0	109.7	V380 P414 M481	V380-N464 VanDerWaalsContact O-CA 3.23Å; V380-N464 WeakPolarHBondContact O-CA 3.12Å; V380-N464 WeakPolarHBondContact O-CB 3.36Å; P414-N464 WeakPolarHBondContact CB-OD1 3.42Å; P414-N464 WeakPolarHBondContact CD-O 3Å; N464-M481 HydrophobicContact CB-CE 4.46Å
465	A	93.7	Very high	91	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.008	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.3	157.3	174.9	0	0	0	0	0	110.7	V380 I411 M412 I461 L467	V380-A465 HydrophobicContact CB-CB 4.49Å; V380-A465 PolarHBondContact N-O 3.16Å; V380-A465 PolarHBondContact O-N 2.89Å; I411-A465 HydrophobicContact CG2-CB 3.91Å; M412-A465 CarbonylContact O-C 3.53Å; M412-A465 WeakPolarHBondContact O-CA 3.39Å; I461-A465 HydrophobicContact CD1-CB 4.04Å; I461-A465 HydrophobicContact CG1-CB 3.92Å; I461-A465 HydrophobicContact CG2-CB 3.96Å; A465-L467 HydrophobicContact CB-CD2 4.32Å
466	T	96.5	Very high	91.1	Very high	3 Å²	3	46.5 Å²	46.5	2%	0.018	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	131.6	165.7	-57.5	0	0	0	0	109.6	M377 L378 M412 I478	M377-T466 HydrophobicContact CE-CG2 3.87Å; L378-T466 CarbonylContact O-C 3.51Å; L378-T466 WeakPolarHBondContact O-CA 3.39Å; M412-T466 WeakPolarHBondContact CB-O 3.33Å; M412-T466 HydrophobicContact CE-CG2 3.55Å; M412-T466 PolarHBondContact N-O 2.98Å; M412-T466 PolarHBondContact O-N 3.43Å; T466-I478 HydrophobicContact CG2-CB 4.2Å; T466-I478 HydrophobicContact CG2-CD1 4.18Å; T466-I478 HydrophobicContact CG2-CG1 3.95Å; T466-I478 WeakPolarHBondContact OG1-CB 3.37Å; T466-I478 PolarHBondContact OG1-N 2.79Å; T466-I478 PolarHBondContact OG1-O 2.93Å
467	L	97.5	Very high	91.2	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	139.1	178	-45	-175.5	0	0	0	110.9	L378 V380 V409 R410 I411 M454 L457 I461 A465	L378-L467 HydrophobicContact CB-CB 4.2Å; L378-L467 HydrophobicContact CD1-CD1 4.38Å; L378-L467 HydrophobicContact CD2-CD1 4.07Å; L378-L467 HydrophobicContact CD2-CG 4.28Å; L378-L467 PolarHBondContact N-O 3.45Å; L378-L467 PolarHBondContact O-N 3.37Å; V380-L467 HydrophobicContact CG2-CD1 3.94Å; V380-L467 HydrophobicContact CG2-CG 4.06Å; V409-L467 HydrophobicContact CB-CB 4.49Å; V409-L467 HydrophobicContact CG2-CD1 4.45Å; R410-L467 VanDerWaalsContact O-CA 3.27Å; R410-L467 WeakPolarHBondContact O-CA 3.33Å; I411-L467 HydrophobicContact CB-CD2 3.96Å; I411-L467 HydrophobicContact CG1-CD2 3.83Å; I411-L467 HydrophobicContact CG2-CD2 3.76Å; M454-L467 HydrophobicContact CE-CD1 3.48Å; M454-L467 VanDerWaalsContact CE-CD1 3.48Å; M454-L467 HydrophobicContact SD-CD1 3.7Å; L457-L467 HydrophobicContact CD1-CD1 3.52Å; I461-L467 HydrophobicContact CD1-CD2 4.26Å; A465-L467 HydrophobicContact CB-CD2 4.32Å
468	T	97.2	Very high	91.2	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	174.3	172.9	-169.6	0	0	0	0	111.5	L376 V409 R410 M412 E472 A475	L376-T468 WeakPolarHBondContact O-CA 3.47Å; L376-T468 WeakPolarHBondContact O-CB 3.5Å; L376-T468 PolarHBondContact O-OG1 2.88Å; V409-T468 CarbonylContact C-O 3.54Å; V409-T468 WeakPolarHBondContact CA-O 3.39Å; V409-T468 WeakPolarHBondContact CB-O 3.27Å; R410-T468 HydrophobicContact CB-CG2 3.82Å; R410-T468 HydrophobicContact CG-CG2 4.33Å; R410-T468 PolarHBondContact N-O 2.85Å; R410-T468 PolarHBondContact O-N 2.79Å; M412-T468 HydrophobicContact CE-CG2 4.04Å; T468-E472 HydrophobicContact CG2-CB 4Å; T468-E472 WeakPolarHBondContact OG1-CB 3.46Å; T468-A475 HydrophobicContact CG2-CB 3.92Å
469	N	95.2	Very high	91.1	Very high	39 Å²	39	50.7 Å²	50.7	21%	0.209	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	153.4	178.6	-50.4	101.5	0	0	0	111.2	L376 R410 K471 E472	L376-N469 VanDerWaalsContact CB-OD1 3.25Å; L376-N469 WeakPolarHBondContact CB-OD1 3.42Å; L376-N469 PolarHBondContact N-OD1 2.8Å; R410-N469 WeakPolarHBondContact CD-O 3.49Å; R410-N469 WeakPolarHBondContact CG-O 3.37Å; N469-K471 PolarHBondContact O-N 2.83Å; N469-E472 HydrophobicContact CB-CG 4.03Å; N469-E472 PolarHBondContact O-N 3.41Å; N469-E472 VanDerWaalsContact O-N 3.1Å
470	E	92.8	Very high	90.4	Very high	83 Å²	83	45 Å²	45	39%	0.388	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-32.9	179.1	-176.2	170.8	-148.7	0	0	114.6	K408 R410 T426	K408-E470 HydrophobicContact CB-CB 4.25Å; K408-E470 WeakPolarHBondContact CD-OE2 3Å; K408-E470 IonicContact NZ-OE1 3.15Å; K408-E470 PolarHBondContact O-N 3.2Å; R410-E470 WeakPolarHBondContact CD-O 3.39Å; T426-E470 HydrophobicContact CG2-CB 4.44Å; T426-E470 HydrophobicContact CG2-CG 3.9Å
471	K	91.4	Very high	89.4	Confident	179 Å²	179	43.7 Å²	43.7	78%	0.778	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-16.1	-174.3	-62	-178.9	-178.3	177.3	0	114.2	N469 V473	N469-K471 PolarHBondContact O-N 2.83Å; K471-V473 VanDerWaalsContact C-N 3.3Å; K471-V473 PolarHBondContact O-N 2.82Å
472	E	91.4	Very high	88.2	Confident	38 Å²	38	50 Å²	50	18%	0.178	25%	0.249	C	C	.	.			trans	-83.2	74.3	-175.1	-56.5	-46.1	135.7	0	0	110.5	Q362 Y363 P375 R410 T468 N469 A475	Q362-E472 PolarHBondContact NE2-OE2 2.97Å; Y363-E472 HydrophobicContact CE1-CB 3.64Å; Y363-E472 HydrophobicContact CE1-CG 3.81Å; Y363-E472 WeakPolarHBondContact CE1-OE2 3.43Å; Y363-E472 PolarHBondContact OH-OE2 3.02Å; Y363-E472 VanDerWaalsContact OH-OE2 3.09Å; P375-E472 HydrophobicContact CB-CG 3.93Å; R410-E472 WeakPolarHBondContact CD-O 3.4Å; R410-E472 PolarHBondContact NE-O 3.17Å; T468-E472 HydrophobicContact CG2-CB 4Å; T468-E472 WeakPolarHBondContact OG1-CB 3.46Å; N469-E472 HydrophobicContact CB-CG 4.03Å; N469-E472 PolarHBondContact O-N 3.41Å; N469-E472 VanDerWaalsContact O-N 3.1Å; E472-A475 HydrophobicContact CB-CB 4.21Å
473	V	89.3	Confident	87.2	Confident	78 Å²	78	49.1 Å²	49.1	47%	0.473	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-26.4	-175.1	-65.1	0	0	0	0	113.3	K471 A475	K471-V473 VanDerWaalsContact C-N 3.3Å; K471-V473 PolarHBondContact O-N 2.82Å; V473-A475 VanDerWaalsContact C-N 3.34Å
474	D	91	Very high	86	Confident	121 Å²	121	49.8 Å²	49.8	65%	0.647	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.1	0.5	-178.3	-54.8	-44.5	0	0	0	112.8	Y363 H476	Y363-D474 HydrophobicContact CE2-CB 4.43Å; D474-H476 PolarHBondContact O-CE1 3.25Å; D474-H476 PolarHBondContact O-ND1 2.85Å
475	A	91.7	Very high	84.9	Confident	1 Å²	1	50 Å²	50	1%	0.008	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-64.7	138.2	178.4	0	0	0	0	0	111.3	Y363 M377 M412 T468 E472 V473	Y363-A475 HydrophobicContact CD1-CB 4.04Å; Y363-A475 HydrophobicContact CD2-CB 4.26Å; Y363-A475 HydrophobicContact CE1-CB 3.75Å; Y363-A475 VanDerWaalsContact CE2-CA 3.42Å; Y363-A475 HydrophobicContact CE2-CB 3.95Å; Y363-A475 HydrophobicContact CG-CB 4.29Å; Y363-A475 PolarHBondContact OH-N 3.38Å; M377-A475 HydrophobicContact SD-CB 4.44Å; M412-A475 HydrophobicContact CE-CB 4.29Å; T468-A475 HydrophobicContact CG2-CB 3.92Å; E472-A475 HydrophobicContact CB-CB 4.21Å; V473-A475 VanDerWaalsContact C-N 3.34Å
476	H	93.5	Very high	83.8	Confident	50 Å²	50	52.4 Å²	52.4	23%	0.231	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-97.2	155.2	173.1	-66.5	54.3	0	0	0	110.1	Y355 E356 G357 M377 P418 D474	Y355-H476 HydrophobicContact CE2-CB 3.83Å; Y355-H476 VanDerWaalsContact CE2-O 3.23Å; Y355-H476 WeakPolarHBondContact CE2-O 3.48Å; Y355-H476 PolarHBondContact OH-N 2.97Å; E356-H476 HydrophobicContact CB-CB 4.49Å; G357-H476 VanDerWaalsContact CA-CG 3.47Å; M377-H476 WeakPolarHBondContact CE-O 3.23Å; P418-H476 HydrophobicContact CG-CB 4.33Å; P418-H476 WeakPolarHBondContact CG-CD2 3.18Å; D474-H476 PolarHBondContact O-CE1 3.25Å; D474-H476 PolarHBondContact O-ND1 2.85Å
477	P	92.7	Very high	83	Confident	9 Å²	9	53.9 Å²	53.9	6%	0.058	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-68.1	155.4	176.5	28.1	-33.4	0	0	0	111.8	E356 M412 Y416	E356-P477 WeakPolarHBondContact CB-O 3.44Å; E356-P477 PolarHBondContact N-O 3.46Å; E356-P477 VanDerWaalsContact N-O 3.13Å; E356-P477 WeakPolarHBondContact OE2-CG 3.41Å; M412-P477 HydrophobicContact CB-CB 4.46Å; Y416-P477 HydrophobicContact CD1-CG 4.37Å
478	I	91.7	Very high	82.2	Confident	4 Å²	4	53.9 Å²	53.9	2%	0.021	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-73.5	133.1	160.9	-68.3	170.7	0	0	0	106.7	L354 M377 Y379 F399 T466 A480	L354-I478 HydrophobicContact CB-CG2 4.34Å; L354-I478 HydrophobicContact CD2-CG2 4.46Å; L354-I478 CarbonylContact O-C 3.01Å; L354-I478 WeakPolarHBondContact O-CA 3.3Å; L354-I478 VanDerWaalsContact O-CG2 3.26Å; L354-I478 WeakPolarHBondContact O-CG2 3.48Å; M377-I478 HydrophobicContact CE-CG1 4.29Å; Y379-I478 HydrophobicContact CD2-CB 3.83Å; Y379-I478 HydrophobicContact CD2-CG2 3.6Å; Y379-I478 HydrophobicContact CE2-CB 4.49Å; Y379-I478 HydrophobicContact CE2-CG2 4.13Å; Y379-I478 HydrophobicContact CG-CG2 4.05Å; F399-I478 HydrophobicContact CD2-CD1 3.75Å; F399-I478 HydrophobicContact CE2-CD1 4.33Å; F399-I478 HydrophobicContact CG-CD1 4.49Å; T466-I478 HydrophobicContact CG2-CB 4.2Å; T466-I478 HydrophobicContact CG2-CD1 4.18Å; T466-I478 HydrophobicContact CG2-CG1 3.95Å; T466-I478 WeakPolarHBondContact OG1-CB 3.37Å; T466-I478 PolarHBondContact OG1-N 2.79Å; T466-I478 PolarHBondContact OG1-O 2.93Å; I478-A480 PolarHBondContact O-N 3Å
479	R	86.3	Confident	81.7	Confident	102 Å²	102	53.9 Å²	53.9	39%	0.385	28%	0.277	S	S	.	.			trans	-45.9	128.9	-177.8	-74.7	-176.2	-164	171.4	5.9	110.8	R120 E352 N353 L354 Y355 E356	R120-R479 PolarHBondContact NH1-O 3Å; E352-R479 PolarHBondContact O-NH1 2.9Å; E352-R479 PolarHBondContact O-NH2 3.04Å; N353-R479 WeakPolarHBondContact O-CD 3.32Å; L354-R479 PolarHBondContact O-N 3.46Å; Y355-R479 PolarHBondContact O-NE 3.15Å; Y355-R479 PolarHBondContact O-NH2 3.5Å; E356-R479 HydrophobicContact CB-CG 4.49Å; E356-R479 HydrophobicContact CG-CB 4.21Å; E356-R479 HydrophobicContact CG-CG 3.28Å; E356-R479 WeakPolarHBondContact OE1-CA 3.32Å
480	A	73.4	Confident	81.4	Confident	40 Å²	40	54.4 Å²	54.4	33%	0.331	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-62.1	153.1	172.1	0	0	0	0	0	110.9	I478	I478-A480 PolarHBondContact O-N 3Å
481	M	69.3	Low	81.3	Confident	13 Å²	13	50.8 Å²	50.8	6%	0.064	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-70.2	140.2	174	-67.4	175.9	-75.2	0	0	110.4	T116 A117 R120 Y379 S381 N464	T116-M481 HydrophobicContact CG2-CB 4.17Å; T116-M481 HydrophobicContact CG2-CG 4.24Å; T116-M481 HydrophobicContact CG2-SD 4.2Å; A117-M481 WeakPolarHBondContact CA-SD 3.36Å; A117-M481 HydrophobicContact CB-CE 4.14Å; A117-M481 HydrophobicContact CB-SD 3.96Å; R120-M481 HydrophobicContact CB-CG 4.22Å; R120-M481 HydrophobicContact CB-SD 4.01Å; R120-M481 HydrophobicContact CG-CG 4.18Å; R120-M481 HydrophobicContact CG-SD 4.44Å; Y379-M481 HydrophobicContact CE1-CE 4.24Å; S381-M481 WeakPolarHBondContact O-CE 3.46Å; N464-M481 HydrophobicContact CB-CE 4.46Å
482	K	63.4	Low	81.3	Confident	135 Å²	135	42.9 Å²	42.9	59%	0.587	23%	0.227	S	C	*	.	P	Polyproline II helix	trans	-91.3	128.5	165.4	-69.5	-175.8	173.1	-175	0	108.4	D604 G605	K482-D604 PolarHBondContact NZ-O 2.91Å; K482-G605 PolarHBondContact NZ-O 2.83Å
483	F	61.6	Low	81.4	Confident	71 Å²	71	41 Å²	41	31%	0.311	22%	0.219	S	C	.	.	P	Polyproline II helix	trans	-90.1	129.3	175	-59.9	-71.6	0	0	0	108.9	V485 P516 M517	F483-V485 VanDerWaalsContact C-N 3.27Å; F483-V485 PolarHBondContact O-N 3.44Å; F483-P516 HydrophobicContact CE1-CB 3.76Å; F483-P516 HydrophobicContact CZ-CB 3.72Å; F483-M517 HydrophobicContact CB-CE 3.99Å; F483-M517 HydrophobicContact CD1-CE 4.41Å; F483-M517 HydrophobicContact CG-CE 4.43Å
484	S	58.3	Low	81.5	Confident	66 Å²	66	41.7 Å²	41.7	46%	0.462	22%	0.216	S	C	.	.	S	Bend	trans	-83.9	-0.3	-179.4	59.4	0	0	0	0	113.6	Q145	Q145-S484 PolarHBondContact NE2-OG 3.07Å; Q145-S484 VanDerWaalsContact NE2-OG 3.09Å
485	V	64.6	Low	81.5	Confident	17 Å²	17	37 Å²	37	10%	0.103	19%	0.193	C	C	.	.			trans	-128.7	138.8	-176.1	-178.7	0	0	0	0	109	S112 F483 M517 A533	S112-V485 WeakPolarHBondContact OG-CG2 3.17Å; F483-V485 VanDerWaalsContact C-N 3.27Å; F483-V485 PolarHBondContact O-N 3.44Å; V485-M517 HydrophobicContact CB-CE 3.68Å; V485-M517 HydrophobicContact CB-SD 4.46Å; V485-M517 HydrophobicContact CG1-CE 4.38Å; V485-M517 VanDerWaalsContact O-CE 3.23Å; V485-M517 WeakPolarHBondContact O-CE 3.41Å; V485-A533 HydrophobicContact CG1-CB 3.77Å
486	S	70.8	Confident	81.5	Confident	52 Å²	52	43 Å²	43	36%	0.364	22%	0.219	S	C	.	.			trans	-100.9	142.7	177.4	-73.5	0	0	0	0	110.5	V488	S486-V488 PolarHBondContact O-N 3.16Å
487	P	79.1	Confident	81.4	Confident	33 Å²	33	44.1 Å²	44.1	21%	0.214	23%	0.229	C	C	.	.			trans	-72.2	98.4	173.3	29.1	-33	0	0	0	109.9	V519 A531 G532	P487-V519 HydrophobicContact CG-CG2 3.98Å; P487-A531 HydrophobicContact CB-CB 4.05Å; P487-G532 CarbonylContact C-O 3.44Å; P487-G532 WeakPolarHBondContact CA-O 3.45Å
488	V	81.5	Confident	81.3	Confident	0 Å²	0	48 Å²	48	0%	0	26%	0.262	C	S	.	.			trans	-95	-22.8	-176.2	-67.6	0	0	0	0	113.1	S486 G532 A533 S563 P728 Y730 V775 F799 W802	S486-V488 PolarHBondContact O-N 3.16Å; V488-G532 PolarHBondContact N-O 3.47Å; V488-G532 VanDerWaalsContact N-O 3.14Å; V488-A533 WeakPolarHBondContact CG2-O 3.48Å; V488-S563 PolarHBondContact O-N 2.72Å; V488-S563 PolarHBondContact O-OG 3.21Å; V488-P728 HydrophobicContact CB-CB 4.35Å; V488-P728 HydrophobicContact CB-CG 4.29Å; V488-P728 HydrophobicContact CG1-CB 4.02Å; V488-P728 HydrophobicContact CG1-CG 4.42Å; V488-Y730 HydrophobicContact CG2-CE1 4.16Å; V488-V775 HydrophobicContact CG2-CG1 4.14Å; V488-V775 HydrophobicContact CG2-CG2 4.41Å; V488-F799 HydrophobicContact CG1-CD2 3.98Å; V488-F799 HydrophobicContact CG1-CE2 4.34Å; V488-F799 HydrophobicContact CG1-CG 4.48Å; V488-W802 HydrophobicContact CG1-CH2 4.39Å; V488-W802 HydrophobicContact CG1-CZ2 4.4Å
489	V	87.6	Confident	81.3	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	138.7	179.7	-167.4	0	0	0	0	110.2	A531 G532 L538 P560 V561 V775 F779	V489-A531 CarbonylContact O-C 3.58Å; V489-A531 WeakPolarHBondContact O-CA 3.02Å; V489-G532 PolarHBondContact N-O 2.99Å; V489-G532 PolarHBondContact O-N 3.29Å; V489-L538 HydrophobicContact CB-CD1 3.57Å; V489-L538 HydrophobicContact CG1-CD1 3.36Å; V489-P560 HydrophobicContact CG1-CB 3.73Å; V489-V561 CarbonylContact C-O 3.59Å; V489-V775 HydrophobicContact CG2-CG1 4.08Å; V489-F779 HydrophobicContact CG1-CE1 3.71Å; V489-F779 HydrophobicContact CG1-CZ 3.86Å; V489-F779 HydrophobicContact CG2-CE1 4.27Å
490	R	88.8	Confident	81.6	Confident	51 Å²	51	48.4 Å²	48.4	19%	0.192	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	143.2	-179.7	-60.9	-174.2	-177.3	-175.1	4.7	111.5	I529 V530 A531 P560 V561 S563	R490-I529 HydrophobicContact CB-CG2 3.89Å; R490-I529 HydrophobicContact CG-CG2 4.19Å; R490-V530 CarbonylContact C-O 3.59Å; R490-V530 WeakPolarHBondContact CA-O 3.48Å; R490-A531 HydrophobicContact CG-CB 3.85Å; R490-P560 CarbonylContact O-C 3.57Å; R490-P560 WeakPolarHBondContact O-CA 3.41Å; R490-V561 PolarHBondContact N-O 3.11Å; R490-V561 PolarHBondContact O-N 3.09Å; R490-S563 WeakPolarHBondContact CD-OG 3.13Å; R490-S563 WeakPolarHBondContact CG-OG 3.39Å; R490-S563 PolarHBondContact NE-OG 3.23Å
491	V	91.1	Very high	82.5	Confident	7 Å²	7	50.5 Å²	50.5	4%	0.042	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	131.3	171.5	169.2	0	0	0	0	108.8	V493 V530 L538 L542 K557 P560	V491-V493 HydrophobicContact CG1-CG1 4.21Å; V491-V530 PolarHBondContact N-O 2.97Å; V491-V530 PolarHBondContact O-N 2.71Å; V491-L538 HydrophobicContact CG2-CD1 4Å; V491-L542 HydrophobicContact CB-CD1 4.24Å; V491-L542 HydrophobicContact CG1-CD1 3.91Å; V491-L542 HydrophobicContact CG1-CD2 4.34Å; V491-L542 HydrophobicContact CG2-CD1 4.29Å; V491-K557 HydrophobicContact CG1-CB 3.87Å; V491-P560 HydrophobicContact CG2-CB 3.97Å
492	A	90	Very high	83.5	Confident	12 Å²	12	54.4 Å²	54.4	10%	0.099	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	136.4	169.4	0	0	0	0	0	109.8	H528 I529 K557 S558	A492-H528 CarbonylContact C-O 3.53Å; A492-H528 WeakPolarHBondContact CA-O 3.35Å; A492-I529 HydrophobicContact CB-CD1 3.57Å; A492-K557 CarbonylContact O-C 3.6Å; A492-K557 WeakPolarHBondContact O-CA 3.44Å; A492-S558 PolarHBondContact N-OG 2.98Å; A492-S558 PolarHBondContact O-N 3.09Å
493	V	93.7	Very high	84.8	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	136.7	179.8	-62	0	0	0	0	110.8	V491 L504 L508 H528 V530 L542 L545 I555 I556	V491-V493 HydrophobicContact CG1-CG1 4.21Å; V493-L504 HydrophobicContact CG2-CD1 4.07Å; V493-L508 HydrophobicContact CG2-CD2 4.15Å; V493-H528 HydrophobicContact CG2-CB 3.86Å; V493-H528 WeakPolarHBondContact CG2-O 3.1Å; V493-H528 PolarHBondContact N-O 3.17Å; V493-V530 HydrophobicContact CG1-CG2 4.12Å; V493-V530 HydrophobicContact CG2-CG2 3.94Å; V493-L542 HydrophobicContact CG1-CD2 3.35Å; V493-L545 HydrophobicContact CG2-CD2 4.27Å; V493-I555 HydrophobicContact CG1-CD1 4.39Å; V493-I556 WeakPolarHBondContact CA-O 3.39Å
494	Q	91.4	Very high	86.2	Confident	91 Å²	91	49.5 Å²	49.5	43%	0.425	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	149.8	178	-64.3	-179.8	-1	0	0	109.8	I555 I556	Q494-I555 CarbonylContact O-C 3.5Å; Q494-I555 WeakPolarHBondContact O-CA 3.28Å; Q494-I556 PolarHBondContact N-O 2.95Å; Q494-I556 PolarHBondContact O-N 3.28Å
495	C	91.1	Very high	87.8	Confident	22 Å²	22	48.9 Å²	48.9	15%	0.149	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	135	172.3	-62.7	0	0	0	0	110.2	V497 D500 L501 L504	C495-V497 VanDerWaalsContact C-N 3.25Å; C495-V497 VanDerWaalsContact CB-O 3.23Å; C495-V497 WeakPolarHBondContact CB-O 3.11Å; C495-V497 PolarHBondContact O-N 3.34Å; C495-D500 HydrophobicContact CB-CB 4.33Å; C495-D500 PolarHBondContact SG-O 3.46Å; C495-L501 VanDerWaalsContact SG-CA 3.59Å; C495-L501 PolarHBondContact SG-N 2.88Å; C495-L504 WeakPolarHBondContact SG-CB 3.37Å; C495-L504 VanDerWaalsContact SG-CD2 3.55Å
496	K	92.3	Very high	89	Confident	127 Å²	127	52.5 Å²	52.5	55%	0.552	30%	0.298	S	S	*	.	S	Bend	trans	-64.7	-35.1	168.8	-172.3	175	179.9	175.2	0	111.9	E554 I556	K496-E554 HydrophobicContact CB-CB 4.19Å; K496-E554 WeakPolarHBondContact CB-O 3.42Å; K496-E554 HydrophobicContact CD-CB 4.03Å; K496-E554 WeakPolarHBondContact CD-OE2 3.49Å; K496-E554 WeakPolarHBondContact CE-OE2 3.45Å; K496-E554 PolarHBondContact N-O 2.89Å; K496-E554 VanDerWaalsContact N-O 3.16Å; K496-E554 IonicContact NZ-OE2 3.16Å; K496-E554 PolarHBondContact NZ-OE2 3.08Å; K496-I556 HydrophobicContact CB-CD1 4.39Å; K496-I556 HydrophobicContact CB-CG1 4.17Å; K496-I556 HydrophobicContact CG-CD1 4.45Å
497	V	92.1	Very high	90	Very high	75 Å²	75	50 Å²	50	46%	0.455	28%	0.281	S	S	.	.	S	Bend	trans	-111.2	121.1	176.7	-171.6	0	0	0	0	109.2	C495 S499 D500	C495-V497 VanDerWaalsContact C-N 3.25Å; C495-V497 VanDerWaalsContact CB-O 3.23Å; C495-V497 WeakPolarHBondContact CB-O 3.11Å; C495-V497 PolarHBondContact O-N 3.34Å; V497-S499 VanDerWaalsContact CG1-OG 3.26Å; V497-S499 WeakPolarHBondContact CG1-OG 3.25Å; V497-S499 PolarHBondContact O-N 3.34Å; V497-S499 VanDerWaalsContact O-N 3.11Å; V497-D500 WeakPolarHBondContact O-CB 3.41Å; V497-D500 PolarHBondContact O-N 2.97Å
498	A	88.6	Confident	90.6	Very high	90 Å²	90	49 Å²	49	74%	0.744	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-57.3	-30.7	-175.9	0	0	0	0	0	113.8	D500 L501	A498-D500 PolarHBondContact O-N 2.91Å; A498-L501 WeakPolarHBondContact O-CB 3.43Å; A498-L501 PolarHBondContact O-N 3.36Å
499	S	92.9	Very high	91	Very high	92 Å²	92	55.2 Å²	55.2	64%	0.643	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-66.9	-15.5	177.2	58.5	0	0	0	0	114.1	V497 P502	V497-S499 VanDerWaalsContact CG1-OG 3.26Å; V497-S499 WeakPolarHBondContact CG1-OG 3.25Å; V497-S499 PolarHBondContact O-N 3.34Å; V497-S499 VanDerWaalsContact O-N 3.11Å; S499-P502 WeakPolarHBondContact O-CD 3.4Å
500	D	93.2	Very high	91	Very high	22 Å²	22	56.5 Å²	56.5	12%	0.118	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-88.5	-1	177.7	-69	-41.7	0	0	0	113	C495 V497 A498 P502 K503 L504 A553	C495-D500 HydrophobicContact CB-CB 4.33Å; C495-D500 PolarHBondContact SG-O 3.46Å; V497-D500 WeakPolarHBondContact O-CB 3.41Å; V497-D500 PolarHBondContact O-N 2.97Å; A498-D500 PolarHBondContact O-N 2.91Å; D500-P502 VanDerWaalsContact C-CD 3.43Å; D500-P502 VanDerWaalsContact C-N 3.31Å; D500-K503 HydrophobicContact CB-CD 4.37Å; D500-K503 WeakPolarHBondContact O-CA 3.22Å; D500-K503 VanDerWaalsContact O-CB 3.3Å; D500-K503 WeakPolarHBondContact O-CB 3.4Å; D500-K503 PolarHBondContact O-N 3.18Å; D500-K503 WeakPolarHBondContact OD1-CD 3.39Å; D500-K503 VanDerWaalsContact OD1-CE 3.3Å; D500-K503 WeakPolarHBondContact OD1-CE 3.44Å; D500-K503 IonicContact OD1-NZ 3.29Å; D500-K503 PolarHBondContact OD1-NZ 3.04Å; D500-L504 PolarHBondContact O-N 2.95Å; D500-A553 HydrophobicContact CB-CB 4.42Å
501	L	90.5	Very high	91.1	Very high	84 Å²	84	54.1 Å²	54.1	44%	0.44	30%	0.296	S	S	.	.	H	α-helix	trans	-50.3	-42.3	177.2	-177.3	64.6	0	0	0	113.6	C495 A498 K503 L504 V505	C495-L501 VanDerWaalsContact SG-CA 3.59Å; C495-L501 PolarHBondContact SG-N 2.88Å; A498-L501 WeakPolarHBondContact O-CB 3.43Å; A498-L501 PolarHBondContact O-N 3.36Å; L501-K503 VanDerWaalsContact C-N 3.28Å; L501-K503 PolarHBondContact O-N 2.79Å; L501-L504 HydrophobicContact CD1-CD2 4.45Å; L501-L504 PolarHBondContact O-N 2.68Å; L501-V505 HydrophobicContact CD1-CG2 4.33Å; L501-V505 WeakPolarHBondContact O-CG2 3.41Å; L501-V505 PolarHBondContact O-N 3.21Å
502	P	90.4	Very high	91	Very high	95 Å²	95	54.8 Å²	54.8	62%	0.617	30%	0.303	S	S	*	.	H	α-helix	trans	-61.1	-34.8	174.3	-23.7	35.5	0	0	0	113.4	S499 D500 E506	S499-P502 WeakPolarHBondContact O-CD 3.4Å; D500-P502 VanDerWaalsContact C-CD 3.43Å; D500-P502 VanDerWaalsContact C-N 3.31Å; P502-E506 WeakPolarHBondContact O-CB 3.19Å; P502-E506 PolarHBondContact O-N 3.06Å; P502-E506 VanDerWaalsContact O-N 3.08Å
503	K	90.8	Very high	90.9	Very high	103 Å²	103	56 Å²	56	45%	0.448	31%	0.305	S	S	.	.	H	α-helix	trans	-70.2	-37.9	176.1	-60.4	179.9	-173.8	158.7	0	111.3	D500 L501 G507 A553	D500-K503 HydrophobicContact CB-CD 4.37Å; D500-K503 WeakPolarHBondContact O-CA 3.22Å; D500-K503 VanDerWaalsContact O-CB 3.3Å; D500-K503 WeakPolarHBondContact O-CB 3.4Å; D500-K503 PolarHBondContact O-N 3.18Å; D500-K503 WeakPolarHBondContact OD1-CD 3.39Å; D500-K503 VanDerWaalsContact OD1-CE 3.3Å; D500-K503 WeakPolarHBondContact OD1-CE 3.44Å; D500-K503 IonicContact OD1-NZ 3.29Å; D500-K503 PolarHBondContact OD1-NZ 3.04Å; L501-K503 VanDerWaalsContact C-N 3.28Å; L501-K503 PolarHBondContact O-N 2.79Å; K503-G507 WeakPolarHBondContact O-CA 3.27Å; K503-G507 PolarHBondContact O-N 3.31Å; K503-A553 HydrophobicContact CD-CB 4.49Å
504	L	92.4	Very high	90.5	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-65.6	-47.7	175.5	175.4	64.8	0	0	0	111.3	V493 C495 D500 L501 E506 G507 L508 L545 M550 I555	V493-L504 HydrophobicContact CG2-CD1 4.07Å; C495-L504 WeakPolarHBondContact SG-CB 3.37Å; C495-L504 VanDerWaalsContact SG-CD2 3.55Å; D500-L504 PolarHBondContact O-N 2.95Å; L501-L504 HydrophobicContact CD1-CD2 4.45Å; L501-L504 PolarHBondContact O-N 2.68Å; L504-E506 VanDerWaalsContact C-N 3.33Å; L504-E506 PolarHBondContact O-N 2.94Å; L504-G507 PolarHBondContact O-N 3.19Å; L504-G507 VanDerWaalsContact O-N 3.15Å; L504-L508 HydrophobicContact CD1-CD1 3.98Å; L504-L508 HydrophobicContact CD1-CD2 4.49Å; L504-L508 HydrophobicContact CD1-CG 3.98Å; L504-L508 HydrophobicContact CG-CD1 3.93Å; L504-L508 HydrophobicContact CG-CG 4.36Å; L504-L508 WeakPolarHBondContact O-CB 3.31Å; L504-L508 VanDerWaalsContact O-CG 3.25Å; L504-L508 WeakPolarHBondContact O-CG 3.36Å; L504-L508 PolarHBondContact O-N 2.86Å; L504-L545 HydrophobicContact CD1-CD1 4.42Å; L504-L545 HydrophobicContact CD1-CD2 3.97Å; L504-L545 HydrophobicContact CD1-CG 4.45Å; L504-M550 HydrophobicContact CB-CE 3.96Å; L504-M550 HydrophobicContact CB-SD 4.06Å; L504-M550 HydrophobicContact CD1-CE 4.34Å; L504-M550 HydrophobicContact CD1-SD 3.62Å; L504-M550 HydrophobicContact CG-SD 4.48Å; L504-I555 HydrophobicContact CD1-CG2 4.38Å
505	V	91.2	Very high	90.2	Very high	53 Å²	53	52.2 Å²	52.2	32%	0.321	29%	0.289	S	S	.	.	H	α-helix	trans	-60.5	-44.3	178.7	173.4	0	0	0	0	111.2	L501 K509	L501-V505 HydrophobicContact CD1-CG2 4.33Å; L501-V505 WeakPolarHBondContact O-CG2 3.41Å; L501-V505 PolarHBondContact O-N 3.21Å; V505-K509 WeakPolarHBondContact O-CG 3.43Å; V505-K509 PolarHBondContact O-N 2.9Å
506	E	89.3	Confident	89.6	Confident	93 Å²	93	51.6 Å²	51.6	44%	0.435	29%	0.285	S	S	.	.	H	α-helix	trans	-67.7	-40.1	174.7	-176.1	55.8	-156	0	0	111.7	P502 L504 L508 K509 R510	P502-E506 WeakPolarHBondContact O-CB 3.19Å; P502-E506 PolarHBondContact O-N 3.06Å; P502-E506 VanDerWaalsContact O-N 3.08Å; L504-E506 VanDerWaalsContact C-N 3.33Å; L504-E506 PolarHBondContact O-N 2.94Å; E506-L508 PolarHBondContact O-N 2.88Å; E506-K509 WeakPolarHBondContact O-CB 2.89Å; E506-K509 PolarHBondContact O-N 3.06Å; E506-R510 VanDerWaalsContact O-CG 3.29Å; E506-R510 WeakPolarHBondContact O-CG 3.14Å; E506-R510 PolarHBondContact O-N 3.06Å
507	G	91.4	Very high	89.1	Confident	0 Å²	0	46 Å²	46	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-62	-41.9	178.8	0	0	0	0	0	112.7	K503 L504 R510 L511	K503-G507 WeakPolarHBondContact O-CA 3.27Å; K503-G507 PolarHBondContact O-N 3.31Å; L504-G507 PolarHBondContact O-N 3.19Å; L504-G507 VanDerWaalsContact O-N 3.15Å; G507-R510 PolarHBondContact O-N 3.38Å; G507-L511 WeakPolarHBondContact O-CB 3.44Å; G507-L511 PolarHBondContact O-N 3.14Å
508	L	92.8	Very high	88.9	Confident	11 Å²	11	42.4 Å²	42.4	6%	0.058	24%	0.239	C	C	.	.	H	α-helix	trans	-64.3	-41.1	175.2	-72.4	168.7	0	0	0	112	V493 L504 E506 R510 L511 A512 C520 H528 V530 L545	V493-L508 HydrophobicContact CG2-CD2 4.15Å; L504-L508 HydrophobicContact CD1-CD1 3.98Å; L504-L508 HydrophobicContact CD1-CD2 4.49Å; L504-L508 HydrophobicContact CD1-CG 3.98Å; L504-L508 HydrophobicContact CG-CD1 3.93Å; L504-L508 HydrophobicContact CG-CG 4.36Å; L504-L508 WeakPolarHBondContact O-CB 3.31Å; L504-L508 VanDerWaalsContact O-CG 3.25Å; L504-L508 WeakPolarHBondContact O-CG 3.36Å; L504-L508 PolarHBondContact O-N 2.86Å; E506-L508 PolarHBondContact O-N 2.88Å; L508-R510 VanDerWaalsContact C-N 3.31Å; L508-R510 PolarHBondContact O-N 2.65Å; L508-L511 PolarHBondContact O-N 3.09Å; L508-A512 WeakPolarHBondContact O-CB 2.91Å; L508-A512 PolarHBondContact O-N 2.49Å; L508-C520 HydrophobicContact CB-CB 4.26Å; L508-C520 HydrophobicContact CD2-CB 4.24Å; L508-H528 HydrophobicContact CD1-CB 3.65Å; L508-V530 HydrophobicContact CD2-CG2 3.56Å; L508-L545 HydrophobicContact CD2-CD1 4.19Å; L508-L545 HydrophobicContact CD2-CD2 3.72Å; L508-L545 HydrophobicContact CG-CD1 4.25Å; L508-L545 HydrophobicContact CG-CD2 4.41Å
509	K	89.4	Confident	88.8	Confident	131 Å²	131	40.9 Å²	40.9	57%	0.57	22%	0.22	S	C	*	.	H	α-helix	trans	-61.5	-41.9	173.5	-72	175.1	-176.4	175.5	0	111.4	V505 E506 K513	V505-K509 WeakPolarHBondContact O-CG 3.43Å; V505-K509 PolarHBondContact O-N 2.9Å; E506-K509 WeakPolarHBondContact O-CB 2.89Å; E506-K509 PolarHBondContact O-N 3.06Å; K509-K513 WeakPolarHBondContact O-CB 3.39Å; K509-K513 PolarHBondContact O-N 3.19Å; K509-K513 VanDerWaalsContact O-N 3.16Å
510	R	88.5	Confident	88.8	Confident	28 Å²	28	38 Å²	38	11%	0.106	20%	0.2	C	C	.	.	H	α-helix	trans	-67.1	-40.8	177.5	-68.8	178	68.4	-155.6	-2	111.9	F392 E506 G507 L508 K513 S514 F549	F392-R510 HydrophobicContact CE2-CB 4.22Å; F392-R510 HydrophobicContact CE2-CG 4Å; F392-R510 HydrophobicContact CZ-CB 3.93Å; F392-R510 HydrophobicContact CZ-CG 4.23Å; E506-R510 VanDerWaalsContact O-CG 3.29Å; E506-R510 WeakPolarHBondContact O-CG 3.14Å; E506-R510 PolarHBondContact O-N 3.06Å; G507-R510 PolarHBondContact O-N 3.38Å; L508-R510 VanDerWaalsContact C-N 3.31Å; L508-R510 PolarHBondContact O-N 2.65Å; R510-K513 WeakPolarHBondContact O-CB 3.49Å; R510-K513 PolarHBondContact O-N 3.07Å; R510-S514 WeakPolarHBondContact O-CB 3.47Å; R510-S514 PolarHBondContact O-N 2.97Å; R510-F549 HydrophobicContact CB-CB 4.33Å; R510-F549 HydrophobicContact CB-CD1 3.97Å; R510-F549 HydrophobicContact CB-CD2 4.5Å; R510-F549 HydrophobicContact CB-CE1 4.44Å; R510-F549 HydrophobicContact CB-CG 4.01Å; R510-F549 PolarHBondContact NH1-O 2.83Å
511	L	90.7	Very high	88.5	Confident	1 Å²	1	40.2 Å²	40.2	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-60.8	-52.4	174.9	179.1	64.7	0	0	0	111.2	G507 L508 K513 S514 D515 V518 V530 C541 D544 L545 F549	G507-L511 WeakPolarHBondContact O-CB 3.44Å; G507-L511 PolarHBondContact O-N 3.14Å; L508-L511 PolarHBondContact O-N 3.09Å; L511-K513 PolarHBondContact O-N 3.27Å; L511-K513 VanDerWaalsContact O-N 3.1Å; L511-S514 PolarHBondContact O-N 3.31Å; L511-D515 PolarHBondContact O-N 2.88Å; L511-V518 HydrophobicContact CD2-CG2 4.31Å; L511-V518 HydrophobicContact CG-CG1 4.08Å; L511-V518 HydrophobicContact CG-CG2 4.43Å; L511-V530 HydrophobicContact CD2-CG1 3.97Å; L511-V530 HydrophobicContact CD2-CG2 4.43Å; L511-C541 HydrophobicContact CD1-CB 3.99Å; L511-C541 HydrophobicContact CD2-CB 4.19Å; L511-D544 HydrophobicContact CD1-CB 4.39Å; L511-L545 HydrophobicContact CD2-CB 4.24Å; L511-F549 HydrophobicContact CB-CD2 3.85Å; L511-F549 HydrophobicContact CB-CE2 3.95Å; L511-F549 HydrophobicContact CD1-CD2 4.22Å; L511-F549 HydrophobicContact CD1-CE2 3.77Å; L511-F549 HydrophobicContact CG-CE2 4.5Å
512	A	89.2	Confident	88.2	Confident	21 Å²	21	42.5 Å²	42.5	17%	0.174	22%	0.224	C	C	.	.	H	α-helix	trans	-59.6	-22.8	177.1	0	0	0	0	0	113.8	K463 L508 C520	K463-A512 WeakPolarHBondContact CE-O 3.4Å; L508-A512 WeakPolarHBondContact O-CB 2.91Å; L508-A512 PolarHBondContact O-N 2.49Å; A512-C520 HydrophobicContact CB-CB 4.21Å
513	K	87.7	Confident	87.5	Confident	36 Å²	36	39.8 Å²	39.8	16%	0.157	20%	0.203	C	C	.	.	H	α-helix	trans	-82.9	-39.7	175.6	-153.7	-172.3	-154.6	157.1	0	112.9	M383 F392 D458 I461 T462 K509 R510 L511	M383-K513 HydrophobicContact CB-CG 4.11Å; M383-K513 HydrophobicContact CG-CG 4.03Å; F392-K513 HydrophobicContact CD1-CD 4.12Å; F392-K513 HydrophobicContact CD2-CD 3.74Å; F392-K513 HydrophobicContact CE1-CB 4.25Å; F392-K513 HydrophobicContact CE1-CD 4.18Å; F392-K513 HydrophobicContact CE1-CG 4.49Å; F392-K513 HydrophobicContact CE2-CD 3.82Å; F392-K513 HydrophobicContact CG-CD 3.91Å; F392-K513 HydrophobicContact CZ-CB 4.2Å; F392-K513 HydrophobicContact CZ-CD 4.04Å; D458-K513 VanDerWaalsContact C-NZ 3.25Å; D458-K513 WeakPolarHBondContact O-CE 3.4Å; D458-K513 PolarHBondContact O-NZ 3.18Å; I461-K513 WeakPolarHBondContact O-CE 3.35Å; T462-K513 WeakPolarHBondContact O-CA 3.28Å; T462-K513 WeakPolarHBondContact O-CG 2.99Å; K509-K513 WeakPolarHBondContact O-CB 3.39Å; K509-K513 PolarHBondContact O-N 3.19Å; K509-K513 VanDerWaalsContact O-N 3.16Å; R510-K513 WeakPolarHBondContact O-CB 3.49Å; R510-K513 PolarHBondContact O-N 3.07Å; L511-K513 PolarHBondContact O-N 3.27Å; L511-K513 VanDerWaalsContact O-N 3.1Å
514	S	84.2	Confident	86.5	Confident	8 Å²	8	43.1 Å²	43.1	6%	0.056	22%	0.22	C	C	.	.	H	α-helix	trans	-75.6	-36.5	-176.2	-170.8	0	0	0	0	112.5	P385 R510 L511	P385-S514 WeakPolarHBondContact CG-OG 3.37Å; R510-S514 WeakPolarHBondContact O-CB 3.47Å; R510-S514 PolarHBondContact O-N 2.97Å; L511-S514 PolarHBondContact O-N 3.31Å
515	D	86	Confident	85.4	Confident	4 Å²	4	46.2 Å²	46.2	2%	0.021	24%	0.242	C	C	.	.			trans	-109	116.6	180	-160.6	-66.2	0	0	0	111.5	K71 L511 M517 V518 H537	K71-D515 IonicContact NZ-OD2 3.47Å; K71-D515 PolarHBondContact NZ-OD2 3.43Å; L511-D515 PolarHBondContact O-N 2.88Å; D515-M517 PolarHBondContact O-N 3.29Å; D515-M517 WeakPolarHBondContact OD1-CB 3.39Å; D515-M517 PolarHBondContact OD1-N 3.07Å; D515-V518 HydrophobicContact CB-CB 3.96Å; D515-V518 HydrophobicContact CB-CG1 3.68Å; D515-V518 PolarHBondContact OD1-N 2.99Å; D515-H537 IonicContact OD1-CE1 3.73Å; D515-H537 IonicContact OD1-NE2 2.74Å; D515-H537 PolarHBondContact OD1-NE2 3.3Å; D515-H537 IonicContact OD2-NE2 3.85Å; D515-H537 PolarHBondContact OD2-NE2 2.63Å
516	P	77.3	Confident	84.7	Confident	9 Å²	9	45.8 Å²	45.8	6%	0.058	25%	0.248	C	C	.	.	S	Bend	trans	-63	-27.4	-179.7	-22.4	32.8	0	0	0	114	K463 F483	K463-P516 WeakPolarHBondContact CE-O 3.25Å; K463-P516 PolarHBondContact NZ-O 2.92Å; F483-P516 HydrophobicContact CE1-CB 3.76Å; F483-P516 HydrophobicContact CZ-CB 3.72Å
517	M	82.8	Confident	84.4	Confident	9 Å²	9	44 Å²	44	4%	0.044	24%	0.24	C	C	.	.	S	Bend	trans	-91.6	-30.8	-174	179.2	66.2	68.8	0	0	112.4	S113 F483 V485 D515 A533	S113-M517 WeakPolarHBondContact OG-CB 3.18Å; F483-M517 HydrophobicContact CB-CE 3.99Å; F483-M517 HydrophobicContact CD1-CE 4.41Å; F483-M517 HydrophobicContact CG-CE 4.43Å; V485-M517 HydrophobicContact CB-CE 3.68Å; V485-M517 HydrophobicContact CB-SD 4.46Å; V485-M517 HydrophobicContact CG1-CE 4.38Å; V485-M517 VanDerWaalsContact O-CE 3.23Å; V485-M517 WeakPolarHBondContact O-CE 3.41Å; D515-M517 PolarHBondContact O-N 3.29Å; D515-M517 WeakPolarHBondContact OD1-CB 3.39Å; D515-M517 PolarHBondContact OD1-N 3.07Å; M517-A533 HydrophobicContact CG-CB 4.23Å
518	V	88.5	Confident	84.4	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.245	C	C	.	.			trans	-63.9	141	-178.9	83.4	0	0	0	0	111.5	K463 L511 D515 V530 A531 C541	K463-V518 PolarHBondContact NZ-O 3.22Å; L511-V518 HydrophobicContact CD2-CG2 4.31Å; L511-V518 HydrophobicContact CG-CG1 4.08Å; L511-V518 HydrophobicContact CG-CG2 4.43Å; D515-V518 HydrophobicContact CB-CB 3.96Å; D515-V518 HydrophobicContact CB-CG1 3.68Å; D515-V518 PolarHBondContact OD1-N 2.99Å; V518-V530 HydrophobicContact CG2-CG1 3.6Å; V518-A531 WeakPolarHBondContact CA-O 3.49Å; V518-A531 WeakPolarHBondContact CG2-O 3.38Å; V518-C541 HydrophobicContact CG2-CB 4.39Å
519	V	86.9	Confident	84.3	Confident	58 Å²	58	45 Å²	45	35%	0.352	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	118.4	173.5	176.1	0	0	0	0	108.2	P487 T521 A531	P487-V519 HydrophobicContact CG-CG2 3.98Å; V519-T521 HydrophobicContact CG1-CG2 3.88Å; V519-A531 HydrophobicContact CB-CB 4.31Å; V519-A531 PolarHBondContact N-O 2.92Å; V519-A531 PolarHBondContact O-N 3.07Å
520	C	91.2	Very high	84.5	Confident	33 Å²	33	38.8 Å²	38.8	22%	0.223	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	123	175.2	-58.7	0	0	0	0	108.8	L508 A512 I529	L508-C520 HydrophobicContact CB-CB 4.26Å; L508-C520 HydrophobicContact CD2-CB 4.24Å; A512-C520 HydrophobicContact CB-CB 4.21Å; C520-I529 WeakPolarHBondContact CA-O 3.41Å
521	T	87	Confident	84.6	Confident	67 Å²	67	37.7 Å²	37.7	41%	0.411	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	163.7	-179.1	49.9	0	0	0	0	110.5	V519 I529	V519-T521 HydrophobicContact CG1-CG2 3.88Å; T521-I529 PolarHBondContact N-O 2.96Å; T521-I529 PolarHBondContact O-N 3.1Å
522	M	84.4	Confident	84.5	Confident	132 Å²	132	37.6 Å²	37.6	65%	0.65	21%	0.214	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-119.3	123.4	170.6	-175.6	-177.8	75.7	0	0	106.7	E527	M522-E527 WeakPolarHBondContact CA-O 3.29Å
523	E	77	Confident	84.2	Confident	39 Å²	39	36.8 Å²	36.8	18%	0.182	21%	0.207	C	C	.	.			trans	-80.8	165.8	177.4	-70.5	-168	174.2	0	0	111	S525 G526 E527 I529	E523-S525 PolarHBondContact O-N 3.25Å; E523-G526 WeakPolarHBondContact O-CA 3.26Å; E523-G526 PolarHBondContact O-N 2.63Å; E523-E527 PolarHBondContact N-O 2.99Å; E523-I529 HydrophobicContact CG-CG1 3.74Å
524	E	69	Low	83.9	Confident	173 Å²	173	35.1 Å²	35.1	81%	0.808	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-25.8	179	-63	-164.2	156.5	0	0	112.9	G526	E524-G526 PolarHBondContact O-N 2.87Å
525	S	69.3	Low	83.7	Confident	64 Å²	64	39 Å²	39	45%	0.448	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-15.9	170.8	60.8	0	0	0	0	113.3	E523 E527	E523-S525 PolarHBondContact O-N 3.25Å; S525-E527 VanDerWaalsContact C-N 3.33Å; S525-E527 WeakPolarHBondContact OG-CG 3.49Å; S525-E527 PolarHBondContact OG-N 3.33Å
526	G	75.9	Confident	83.5	Confident	44 Å²	44	40.6 Å²	40.6	45%	0.454	23%	0.226	S	C	.	.	S	Bend	trans	86.5	0.4	-171.8	0	0	0	0	0	113.6	E523 E524	E523-G526 WeakPolarHBondContact O-CA 3.26Å; E523-G526 PolarHBondContact O-N 2.63Å; E524-G526 PolarHBondContact O-N 2.87Å
527	E	83.8	Confident	84	Confident	56 Å²	56	40.2 Å²	40.2	26%	0.262	22%	0.223	S	C	.	.			trans	-72.9	139	175.9	-65.5	-170.4	154	0	0	111.5	M522 E523 S525 I529	M522-E527 WeakPolarHBondContact CA-O 3.29Å; E523-E527 PolarHBondContact N-O 2.99Å; S525-E527 VanDerWaalsContact C-N 3.33Å; S525-E527 WeakPolarHBondContact OG-CG 3.49Å; S525-E527 PolarHBondContact OG-N 3.33Å; E527-I529 HydrophobicContact CB-CD1 4.35Å
528	H	90.7	Very high	84.2	Confident	23 Å²	23	40 Å²	40	11%	0.106	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	124.6	173.2	-63.2	-63.4	0	0	0	109.6	A492 V493 L508	A492-H528 CarbonylContact C-O 3.53Å; A492-H528 WeakPolarHBondContact CA-O 3.35Å; V493-H528 HydrophobicContact CG2-CB 3.86Å; V493-H528 WeakPolarHBondContact CG2-O 3.1Å; V493-H528 PolarHBondContact N-O 3.17Å; L508-H528 HydrophobicContact CD1-CB 3.65Å
529	I	90.8	Very high	84.2	Confident	9 Å²	9	44.2 Å²	44.2	5%	0.046	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	132.6	-177.7	-54.9	-57	0	0	0	109.9	R490 A492 C520 T521 E523 E527	R490-I529 HydrophobicContact CB-CG2 3.89Å; R490-I529 HydrophobicContact CG-CG2 4.19Å; A492-I529 HydrophobicContact CB-CD1 3.57Å; C520-I529 WeakPolarHBondContact CA-O 3.41Å; T521-I529 PolarHBondContact N-O 2.96Å; T521-I529 PolarHBondContact O-N 3.1Å; E523-I529 HydrophobicContact CG-CG1 3.74Å; E527-I529 HydrophobicContact CB-CD1 4.35Å
530	V	93.8	Very high	84.2	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	120.1	168.6	-174.7	0	0	0	0	108	R490 V491 V493 L508 L511 V518 L538 C541 L542 L545	R490-V530 CarbonylContact C-O 3.59Å; R490-V530 WeakPolarHBondContact CA-O 3.48Å; V491-V530 PolarHBondContact N-O 2.97Å; V491-V530 PolarHBondContact O-N 2.71Å; V493-V530 HydrophobicContact CG1-CG2 4.12Å; V493-V530 HydrophobicContact CG2-CG2 3.94Å; L508-V530 HydrophobicContact CD2-CG2 3.56Å; L511-V530 HydrophobicContact CD2-CG1 3.97Å; L511-V530 HydrophobicContact CD2-CG2 4.43Å; V518-V530 HydrophobicContact CG2-CG1 3.6Å; V530-L538 HydrophobicContact CB-CD2 4.42Å; V530-L538 HydrophobicContact CG1-CD2 3.86Å; V530-L538 WeakPolarHBondContact O-CD2 3.29Å; V530-C541 HydrophobicContact CG1-CB 4.46Å; V530-L542 HydrophobicContact CB-CD2 4.35Å; V530-L542 HydrophobicContact CG2-CD2 4.28Å; V530-L545 HydrophobicContact CG2-CD2 4.42Å
531	A	90.5	Very high	84.2	Confident	5 Å²	5	40.1 Å²	40.1	4%	0.041	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	138.1	178	0	0	0	0	0	111.1	P487 V489 R490 V518 V519	P487-A531 HydrophobicContact CB-CB 4.05Å; V489-A531 CarbonylContact O-C 3.58Å; V489-A531 WeakPolarHBondContact O-CA 3.02Å; R490-A531 HydrophobicContact CG-CB 3.85Å; V518-A531 WeakPolarHBondContact CA-O 3.49Å; V518-A531 WeakPolarHBondContact CG2-O 3.38Å; V519-A531 HydrophobicContact CB-CB 4.31Å; V519-A531 PolarHBondContact N-O 2.92Å; V519-A531 PolarHBondContact O-N 3.07Å
532	G	89.2	Confident	84.5	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	173.1	-175.7	0	0	0	0	0	112.5	P487 V488 V489 G534	P487-G532 CarbonylContact C-O 3.44Å; P487-G532 WeakPolarHBondContact CA-O 3.45Å; V488-G532 PolarHBondContact N-O 3.47Å; V488-G532 VanDerWaalsContact N-O 3.14Å; V489-G532 PolarHBondContact N-O 2.99Å; V489-G532 PolarHBondContact O-N 3.29Å; G532-G534 PolarHBondContact O-N 3.08Å
533	A	83	Confident	84.7	Confident	3 Å²	3	35.1 Å²	35.1	3%	0.025	19%	0.186	C	C	.	.	S	Bend	trans	-65.3	-36.5	-175.1	0	0	0	0	0	113.1	V485 V488 M517 H537 Y730	V485-A533 HydrophobicContact CG1-CB 3.77Å; V488-A533 WeakPolarHBondContact CG2-O 3.48Å; M517-A533 HydrophobicContact CG-CB 4.23Å; A533-H537 HydrophobicContact CB-CB 4.37Å; A533-H537 WeakPolarHBondContact CB-ND1 3.23Å; A533-H537 PolarHBondContact N-ND1 3.4Å; A533-Y730 PolarHBondContact O-OH 3.16Å
534	G	81.4	Confident	85.3	Confident	2 Å²	2	33.6 Å²	33.6	2%	0.021	18%	0.179	C	C	.	.	S	Bend	trans	-162.2	179.4	-175.4	0	0	0	0	0	112	G532 L536 H537 L538	G532-G534 PolarHBondContact O-N 3.08Å; G534-L536 VanDerWaalsContact C-N 3.34Å; G534-L536 PolarHBondContact O-N 3.27Å; G534-H537 PolarHBondContact O-N 3.21Å; G534-L538 PolarHBondContact O-N 3.18Å
535	E	79.7	Confident	86.4	Confident	89 Å²	89	25.4 Å²	25.4	42%	0.416	14%	0.14	S	C	.	.	H	α-helix	trans	-59.5	-45.2	-179.5	-174.3	178	174	0	0	111.4	L538 E539 G780	E535-L538 PolarHBondContact O-N 3.32Å; E535-E539 WeakPolarHBondContact O-CB 3.48Å; E535-E539 PolarHBondContact O-N 3.02Å; E535-G780 PolarHBondContact OE2-N 3.15Å
536	L	81.6	Confident	87.5	Confident	38 Å²	38	25.2 Å²	25.2	20%	0.199	13%	0.132	C	C	.	.	H	α-helix	trans	-64.3	-47.9	-179.4	-172.3	80.3	0	0	0	111.5	I68 D110 F111 G534 L538 E539 I540	I68-L536 HydrophobicContact CD1-CD2 3.79Å; D110-L536 WeakPolarHBondContact OD2-CB 3.48Å; F111-L536 HydrophobicContact CE2-CD2 4.03Å; F111-L536 HydrophobicContact CZ-CD2 4.42Å; G534-L536 VanDerWaalsContact C-N 3.34Å; G534-L536 PolarHBondContact O-N 3.27Å; L536-L538 VanDerWaalsContact C-N 3.34Å; L536-L538 PolarHBondContact O-N 3.45Å; L536-E539 PolarHBondContact O-N 2.77Å; L536-I540 HydrophobicContact CG-CD1 4.23Å; L536-I540 PolarHBondContact O-N 2.73Å
537	H	86.5	Confident	88.1	Confident	1 Å²	1	26.4 Å²	26.4	1%	0.005	13%	0.128	C	C	.	.	H	α-helix	trans	-56.5	-47.7	176.4	-175.5	-167.1	0	0	0	111.9	D110 F111 D515 A533 G534 I540 C541	D110-H537 HydrophobicContact CB-CB 4.01Å; D110-H537 PolarHBondContact OD2-N 3.45Å; D110-H537 VanDerWaalsContact OD2-N 3.1Å; F111-H537 HydrophobicContact CE1-CB 4.38Å; F111-H537 AromaticContact CE1-CD2 3.89Å; D515-H537 IonicContact OD1-CE1 3.73Å; D515-H537 IonicContact OD1-NE2 2.74Å; D515-H537 PolarHBondContact OD1-NE2 3.3Å; D515-H537 IonicContact OD2-NE2 3.85Å; D515-H537 PolarHBondContact OD2-NE2 2.63Å; A533-H537 HydrophobicContact CB-CB 4.37Å; A533-H537 WeakPolarHBondContact CB-ND1 3.23Å; A533-H537 PolarHBondContact N-ND1 3.4Å; G534-H537 PolarHBondContact O-N 3.21Å; H537-I540 PolarHBondContact O-N 2.86Å; H537-C541 PolarHBondContact CD2-SG 3.48Å; H537-C541 PolarHBondContact NE2-SG 3.47Å; H537-C541 PolarHBondContact O-N 3.36Å; H537-C541 PolarHBondContact O-SG 2.95Å; H537-C541 VanDerWaalsContact O-SG 3.36Å
538	L	88.5	Confident	88.1	Confident	4 Å²	4	28.3 Å²	28.3	2%	0.021	14%	0.14	C	C	.	.	H	α-helix	trans	-64.6	-43	179.6	-83.6	178.9	0	0	0	112.2	V489 V491 V530 G534 E535 L536 I540 C541 L542	V489-L538 HydrophobicContact CB-CD1 3.57Å; V489-L538 HydrophobicContact CG1-CD1 3.36Å; V491-L538 HydrophobicContact CG2-CD1 4Å; V530-L538 HydrophobicContact CB-CD2 4.42Å; V530-L538 HydrophobicContact CG1-CD2 3.86Å; V530-L538 WeakPolarHBondContact O-CD2 3.29Å; G534-L538 PolarHBondContact O-N 3.18Å; E535-L538 PolarHBondContact O-N 3.32Å; L536-L538 VanDerWaalsContact C-N 3.34Å; L536-L538 PolarHBondContact O-N 3.45Å; L538-I540 VanDerWaalsContact C-N 3.25Å; L538-I540 PolarHBondContact O-N 3.07Å; L538-C541 PolarHBondContact O-N 3.48Å; L538-L542 WeakPolarHBondContact O-CB 3.49Å; L538-L542 WeakPolarHBondContact O-CG 3.43Å; L538-L542 PolarHBondContact O-N 3.04Å
539	E	87.2	Confident	87.9	Confident	88 Å²	88	28 Å²	28	41%	0.411	14%	0.138	S	C	.	.	H	α-helix	trans	-55.7	-44.5	178.5	-170.3	-167	175	0	0	111.6	R66 E535 L536 L542 K543	R66-E539 IonicContact CZ-OE1 2.68Å; R66-E539 IonicContact CZ-OE2 2.8Å; R66-E539 VanDerWaalsContact CZ-OE2 3.31Å; R66-E539 IonicContact NH1-OE2 2.76Å; R66-E539 PolarHBondContact NH1-OE2 3.09Å; R66-E539 IonicContact NH2-OE1 3.31Å; R66-E539 PolarHBondContact NH2-OE1 3.47Å; R66-E539 IonicContact NH2-OE2 3.7Å; R66-E539 PolarHBondContact NH2-OE2 3.43Å; E535-E539 WeakPolarHBondContact O-CB 3.48Å; E535-E539 PolarHBondContact O-N 3.02Å; L536-E539 PolarHBondContact O-N 2.77Å; E539-L542 PolarHBondContact O-N 3.32Å; E539-K543 WeakPolarHBondContact O-CB 3.36Å; E539-K543 PolarHBondContact O-N 3.27Å
540	I	87.3	Confident	87.8	Confident	5 Å²	5	28 Å²	28	3%	0.026	14%	0.138	C	C	.	.	H	α-helix	trans	-66.4	-46.7	176.2	-74.2	156.5	0	0	0	111.1	I70 F111 L536 H537 L538 L542 K543 D544	I70-I540 HydrophobicContact CD1-CD1 3.38Å; I70-I540 HydrophobicContact CD1-CG1 4.04Å; I70-I540 HydrophobicContact CG1-CD1 3.85Å; I70-I540 HydrophobicContact CG2-CD1 4.07Å; I70-I540 HydrophobicContact CG2-CG2 3.8Å; F111-I540 HydrophobicContact CE1-CD1 4.27Å; F111-I540 HydrophobicContact CE2-CD1 4.3Å; F111-I540 HydrophobicContact CZ-CD1 3.48Å; F111-I540 VanDerWaalsContact CZ-CD1 3.48Å; L536-I540 HydrophobicContact CG-CD1 4.23Å; L536-I540 PolarHBondContact O-N 2.73Å; H537-I540 PolarHBondContact O-N 2.86Å; L538-I540 VanDerWaalsContact C-N 3.25Å; L538-I540 PolarHBondContact O-N 3.07Å; I540-L542 VanDerWaalsContact C-N 3.28Å; I540-L542 PolarHBondContact O-N 3.46Å; I540-K543 WeakPolarHBondContact O-CB 3.28Å; I540-K543 PolarHBondContact O-N 3.1Å; I540-K543 VanDerWaalsContact O-N 3.17Å; I540-D544 PolarHBondContact O-N 3.45Å
541	C	91.1	Very high	87.4	Confident	1 Å²	1	30.6 Å²	30.6	1%	0.007	17%	0.165	C	C	.	.	H	α-helix	trans	-58.3	-40.7	177.4	-77.3	0	0	0	0	112.5	L511 V518 V530 H537 L538 L545	L511-C541 HydrophobicContact CD1-CB 3.99Å; L511-C541 HydrophobicContact CD2-CB 4.19Å; V518-C541 HydrophobicContact CG2-CB 4.39Å; V530-C541 HydrophobicContact CG1-CB 4.46Å; H537-C541 PolarHBondContact CD2-SG 3.48Å; H537-C541 PolarHBondContact NE2-SG 3.47Å; H537-C541 PolarHBondContact O-N 3.36Å; H537-C541 PolarHBondContact O-SG 2.95Å; H537-C541 VanDerWaalsContact O-SG 3.36Å; L538-C541 PolarHBondContact O-N 3.48Å; C541-L545 WeakPolarHBondContact O-CB 3.3Å; C541-L545 PolarHBondContact O-N 3.43Å
542	L	92.9	Very high	87.1	Confident	12 Å²	12	32.4 Å²	32.4	6%	0.063	19%	0.185	C	C	.	.	H	α-helix	trans	-69.9	-36.6	178.8	-68.2	171.7	0	0	0	111.5	V491 V493 V530 L538 E539 I540 L545 Q546 I555 K557	V491-L542 HydrophobicContact CB-CD1 4.24Å; V491-L542 HydrophobicContact CG1-CD1 3.91Å; V491-L542 HydrophobicContact CG1-CD2 4.34Å; V491-L542 HydrophobicContact CG2-CD1 4.29Å; V493-L542 HydrophobicContact CG1-CD2 3.35Å; V530-L542 HydrophobicContact CB-CD2 4.35Å; V530-L542 HydrophobicContact CG2-CD2 4.28Å; L538-L542 WeakPolarHBondContact O-CB 3.49Å; L538-L542 WeakPolarHBondContact O-CG 3.43Å; L538-L542 PolarHBondContact O-N 3.04Å; E539-L542 PolarHBondContact O-N 3.32Å; I540-L542 VanDerWaalsContact C-N 3.28Å; I540-L542 PolarHBondContact O-N 3.46Å; L542-L545 WeakPolarHBondContact O-CB 3.47Å; L542-L545 PolarHBondContact O-N 2.87Å; L542-Q546 WeakPolarHBondContact O-CB 3.36Å; L542-Q546 PolarHBondContact O-N 3.22Å; L542-I555 HydrophobicContact CD2-CD1 4.37Å; L542-K557 HydrophobicContact CD1-CD 4.26Å
543	K	90.1	Very high	87.1	Confident	82 Å²	82	33 Å²	33	36%	0.357	19%	0.19	S	C	.	.	H	α-helix	trans	-64.6	-47.9	172.5	-171.8	178.5	179.6	178.9	0	111.4	E539 I540 L545 Q546 D547	E539-K543 WeakPolarHBondContact O-CB 3.36Å; E539-K543 PolarHBondContact O-N 3.27Å; I540-K543 WeakPolarHBondContact O-CB 3.28Å; I540-K543 PolarHBondContact O-N 3.1Å; I540-K543 VanDerWaalsContact O-N 3.17Å; K543-L545 VanDerWaalsContact C-N 3.28Å; K543-L545 PolarHBondContact O-N 3.39Å; K543-Q546 PolarHBondContact O-N 3.41Å; K543-D547 WeakPolarHBondContact CG-OD2 3.19Å; K543-D547 WeakPolarHBondContact O-CB 3.41Å; K543-D547 PolarHBondContact O-N 2.89Å
544	D	89.3	Confident	87.5	Confident	7 Å²	7	37.9 Å²	37.9	4%	0.037	21%	0.212	C	C	.	.	H	α-helix	trans	-60	-40.6	176.4	-71.4	6.3	0	0	0	111.3	R60 L511 I540 D548 F549	R60-D544 IonicContact CZ-OD1 3.42Å; R60-D544 VanDerWaalsContact CZ-OD1 3.29Å; R60-D544 IonicContact CZ-OD2 2.71Å; R60-D544 IonicContact NH1-OD1 3.31Å; R60-D544 PolarHBondContact NH1-OD1 3.41Å; R60-D544 IonicContact NH1-OD2 3.75Å; R60-D544 PolarHBondContact NH1-OD2 2.95Å; R60-D544 IonicContact NH2-OD1 2.99Å; R60-D544 PolarHBondContact NH2-OD1 3.03Å; R60-D544 IonicContact NH2-OD2 3.56Å; L511-D544 HydrophobicContact CD1-CB 4.39Å; I540-D544 PolarHBondContact O-N 3.45Å; D544-D548 WeakPolarHBondContact O-CA 3.49Å; D544-D548 WeakPolarHBondContact O-CB 3.35Å; D544-D548 PolarHBondContact O-N 3.33Å; D544-F549 HydrophobicContact CB-CD2 4.29Å; D544-F549 HydrophobicContact CB-CE2 3.84Å; D544-F549 HydrophobicContact CB-CZ 4.49Å; D544-F549 WeakPolarHBondContact O-CD2 3.43Å; D544-F549 PolarHBondContact O-N 3.45Å
545	L	92.4	Very high	88	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.215	C	C	.	.	I	π-helix	trans	-58.1	-53	174.7	-178.3	59.1	0	0	0	111.4	V493 L504 L508 L511 V530 C541 L542 K543 F549 M550 I555	V493-L545 HydrophobicContact CG2-CD2 4.27Å; L504-L545 HydrophobicContact CD1-CD1 4.42Å; L504-L545 HydrophobicContact CD1-CD2 3.97Å; L504-L545 HydrophobicContact CD1-CG 4.45Å; L508-L545 HydrophobicContact CD2-CD1 4.19Å; L508-L545 HydrophobicContact CD2-CD2 3.72Å; L508-L545 HydrophobicContact CG-CD1 4.25Å; L508-L545 HydrophobicContact CG-CD2 4.41Å; L511-L545 HydrophobicContact CD2-CB 4.24Å; V530-L545 HydrophobicContact CG2-CD2 4.42Å; C541-L545 WeakPolarHBondContact O-CB 3.3Å; C541-L545 PolarHBondContact O-N 3.43Å; L542-L545 WeakPolarHBondContact O-CB 3.47Å; L542-L545 PolarHBondContact O-N 2.87Å; K543-L545 VanDerWaalsContact C-N 3.28Å; K543-L545 PolarHBondContact O-N 3.39Å; L545-F549 HydrophobicContact CD1-CB 4.5Å; L545-M550 HydrophobicContact CD1-CG 4.21Å; L545-M550 HydrophobicContact CD1-SD 4.15Å; L545-M550 HydrophobicContact CG-CG 4.49Å; L545-M550 HydrophobicContact CG-SD 3.99Å; L545-M550 VanDerWaalsContact O-CB 3.28Å; L545-M550 WeakPolarHBondContact O-CB 3.47Å; L545-M550 VanDerWaalsContact O-CG 3.24Å; L545-M550 WeakPolarHBondContact O-CG 3.43Å; L545-M550 PolarHBondContact O-N 3.37Å; L545-I555 HydrophobicContact CD2-CD1 4.17Å
546	Q	92	Very high	88.6	Confident	60 Å²	60	38.8 Å²	38.8	28%	0.28	22%	0.218	S	C	.	.	I	π-helix	trans	-67.6	-53.9	-176.4	-172.1	178.7	-59.4	0	0	111.8	L542 K543 G552 A553 I555	L542-Q546 WeakPolarHBondContact O-CB 3.36Å; L542-Q546 PolarHBondContact O-N 3.22Å; K543-Q546 PolarHBondContact O-N 3.41Å; Q546-G552 VanDerWaalsContact O-CA 3.27Å; Q546-G552 WeakPolarHBondContact O-CA 3.48Å; Q546-G552 PolarHBondContact O-N 3.38Å; Q546-A553 WeakPolarHBondContact CG-O 3.2Å; Q546-I555 HydrophobicContact CB-CD1 4.18Å; Q546-I555 HydrophobicContact CB-CG1 4.17Å; Q546-I555 HydrophobicContact CG-CG1 4.29Å
547	D	88	Confident	89.1	Confident	69 Å²	69	43.3 Å²	43.3	37%	0.369	24%	0.236	S	C	.	.	I	π-helix	trans	-81.9	-48.7	-167.7	-64.7	-15.3	0	0	0	111.4	K543 G551 G552	K543-D547 WeakPolarHBondContact CG-OD2 3.19Å; K543-D547 WeakPolarHBondContact O-CB 3.41Å; K543-D547 PolarHBondContact O-N 2.89Å; D547-G551 WeakPolarHBondContact O-CA 3.36Å; D547-G552 PolarHBondContact O-N 3.03Å
548	D	84.1	Confident	89.2	Confident	97 Å²	97	45.5 Å²	45.5	52%	0.519	25%	0.252	S	S	.	.	I	π-helix	trans	-93.6	-40	-171.3	-65.6	-35.8	0	0	0	113.3	D544	D544-D548 WeakPolarHBondContact O-CA 3.49Å; D544-D548 WeakPolarHBondContact O-CB 3.35Å; D544-D548 PolarHBondContact O-N 3.33Å
549	F	87.3	Confident	89.1	Confident	15 Å²	15	51.9 Å²	51.9	7%	0.066	29%	0.286	C	S	.	.	I	π-helix	trans	-93.6	-32.3	-171.9	-56.5	-38.9	0	0	0	113.9	P385 R510 L511 D544 L545	P385-F549 HydrophobicContact CB-CE1 4.44Å; P385-F549 HydrophobicContact CG-CE1 4.14Å; P385-F549 HydrophobicContact CG-CZ 4.28Å; R510-F549 HydrophobicContact CB-CB 4.33Å; R510-F549 HydrophobicContact CB-CD1 3.97Å; R510-F549 HydrophobicContact CB-CD2 4.5Å; R510-F549 HydrophobicContact CB-CE1 4.44Å; R510-F549 HydrophobicContact CB-CG 4.01Å; R510-F549 PolarHBondContact NH1-O 2.83Å; L511-F549 HydrophobicContact CB-CD2 3.85Å; L511-F549 HydrophobicContact CB-CE2 3.95Å; L511-F549 HydrophobicContact CD1-CD2 4.22Å; L511-F549 HydrophobicContact CD1-CE2 3.77Å; L511-F549 HydrophobicContact CG-CE2 4.5Å; D544-F549 HydrophobicContact CB-CD2 4.29Å; D544-F549 HydrophobicContact CB-CE2 3.84Å; D544-F549 HydrophobicContact CB-CZ 4.49Å; D544-F549 WeakPolarHBondContact O-CD2 3.43Å; D544-F549 PolarHBondContact O-N 3.45Å; L545-F549 HydrophobicContact CD1-CB 4.5Å
550	M	88.3	Confident	89.1	Confident	9 Å²	9	49.8 Å²	49.8	4%	0.044	28%	0.28	C	S	.	.	S	Bend	trans	-96.3	-8	173.4	-67.2	179.1	59.5	0	0	113.3	L504 L545 A553 I555	L504-M550 HydrophobicContact CB-CE 3.96Å; L504-M550 HydrophobicContact CB-SD 4.06Å; L504-M550 HydrophobicContact CD1-CE 4.34Å; L504-M550 HydrophobicContact CD1-SD 3.62Å; L504-M550 HydrophobicContact CG-SD 4.48Å; L545-M550 HydrophobicContact CD1-CG 4.21Å; L545-M550 HydrophobicContact CD1-SD 4.15Å; L545-M550 HydrophobicContact CG-CG 4.49Å; L545-M550 HydrophobicContact CG-SD 3.99Å; L545-M550 VanDerWaalsContact O-CB 3.28Å; L545-M550 WeakPolarHBondContact O-CB 3.47Å; L545-M550 VanDerWaalsContact O-CG 3.24Å; L545-M550 WeakPolarHBondContact O-CG 3.43Å; L545-M550 PolarHBondContact O-N 3.37Å; M550-A553 HydrophobicContact CB-CB 4.17Å; M550-A553 HydrophobicContact CE-CB 3.99Å; M550-I555 HydrophobicContact CE-CG2 3.49Å; M550-I555 VanDerWaalsContact CE-CG2 3.49Å; M550-I555 HydrophobicContact SD-CG2 3.38Å; M550-I555 WeakPolarHBondContact SD-CG2 3.09Å
551	G	84.4	Confident	89.1	Confident	55 Å²	55	51.3 Å²	51.3	57%	0.567	29%	0.289	S	S	*	.	S	Bend	trans	71.4	37.8	177.8	0	0	0	0	0	113.3	D547	D547-G551 WeakPolarHBondContact O-CA 3.36Å
552	G	84.7	Confident	88.9	Confident	43 Å²	43	51.5 Å²	51.5	44%	0.443	29%	0.29	S	S	.	.	S	Bend	trans	82.9	9.6	-179.9	0	0	0	0	0	114.9	Q546 D547 E554	Q546-G552 VanDerWaalsContact O-CA 3.27Å; Q546-G552 WeakPolarHBondContact O-CA 3.48Å; Q546-G552 PolarHBondContact O-N 3.38Å; D547-G552 PolarHBondContact O-N 3.03Å; G552-E554 PolarHBondContact O-N 2.92Å
553	A	88.4	Confident	88.4	Confident	13 Å²	13	51 Å²	51	11%	0.107	29%	0.288	C	S	.	.			trans	-71.8	124.8	175.7	0	0	0	0	0	110.1	D500 K503 Q546 M550 I555	D500-A553 HydrophobicContact CB-CB 4.42Å; K503-A553 HydrophobicContact CD-CB 4.49Å; Q546-A553 WeakPolarHBondContact CG-O 3.2Å; M550-A553 HydrophobicContact CB-CB 4.17Å; M550-A553 HydrophobicContact CE-CB 3.99Å; A553-I555 PolarHBondContact O-N 3.27Å
554	E	91.4	Very high	88.5	Confident	105 Å²	105	47.5 Å²	47.5	49%	0.491	27%	0.272	S	S	.	.			trans	-65	133.4	-173.1	-66.1	-178.9	-161.8	0	0	112.6	K496 G552	K496-E554 HydrophobicContact CB-CB 4.19Å; K496-E554 WeakPolarHBondContact CB-O 3.42Å; K496-E554 HydrophobicContact CD-CB 4.03Å; K496-E554 WeakPolarHBondContact CD-OE2 3.49Å; K496-E554 WeakPolarHBondContact CE-OE2 3.45Å; K496-E554 PolarHBondContact N-O 2.89Å; K496-E554 VanDerWaalsContact N-O 3.16Å; K496-E554 IonicContact NZ-OE2 3.16Å; K496-E554 PolarHBondContact NZ-OE2 3.08Å; G552-E554 PolarHBondContact O-N 2.92Å
555	I	92.5	Very high	88.7	Confident	19 Å²	19	48.7 Å²	48.7	10%	0.097	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	144	173	58.9	173.8	0	0	0	110.7	V493 Q494 L504 L542 L545 Q546 M550 A553	V493-I555 HydrophobicContact CG1-CD1 4.39Å; Q494-I555 CarbonylContact O-C 3.5Å; Q494-I555 WeakPolarHBondContact O-CA 3.28Å; L504-I555 HydrophobicContact CD1-CG2 4.38Å; L542-I555 HydrophobicContact CD2-CD1 4.37Å; L545-I555 HydrophobicContact CD2-CD1 4.17Å; Q546-I555 HydrophobicContact CB-CD1 4.18Å; Q546-I555 HydrophobicContact CB-CG1 4.17Å; Q546-I555 HydrophobicContact CG-CG1 4.29Å; M550-I555 HydrophobicContact CE-CG2 3.49Å; M550-I555 VanDerWaalsContact CE-CG2 3.49Å; M550-I555 HydrophobicContact SD-CG2 3.38Å; M550-I555 WeakPolarHBondContact SD-CG2 3.09Å; A553-I555 PolarHBondContact O-N 3.27Å
556	I	92.6	Very high	89	Confident	91 Å²	91	48.7 Å²	48.7	47%	0.467	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	126.3	166.1	-58	173.8	0	0	0	106.3	V493 Q494 K496	V493-I556 WeakPolarHBondContact CA-O 3.39Å; Q494-I556 PolarHBondContact N-O 2.95Å; Q494-I556 PolarHBondContact O-N 3.28Å; K496-I556 HydrophobicContact CB-CD1 4.39Å; K496-I556 HydrophobicContact CB-CG1 4.17Å; K496-I556 HydrophobicContact CG-CD1 4.45Å
557	K	91.8	Very high	89.2	Confident	133 Å²	133	46.1 Å²	46.1	58%	0.578	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.4	139.4	177	60.5	-178.6	-178.3	179.5	0	110.1	V491 A492 L542	V491-K557 HydrophobicContact CG1-CB 3.87Å; A492-K557 CarbonylContact O-C 3.6Å; A492-K557 WeakPolarHBondContact O-CA 3.44Å; L542-K557 HydrophobicContact CD1-CD 4.26Å
558	S	89.2	Confident	89.7	Confident	48 Å²	48	42.9 Å²	42.9	34%	0.336	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-73.5	170.5	167.9	74	0	0	0	0	111	A492	A492-S558 PolarHBondContact N-OG 2.98Å; A492-S558 PolarHBondContact O-N 3.09Å
559	D	86.4	Confident	90.2	Very high	137 Å²	137	41.2 Å²	41.2	73%	0.733	24%	0.243	S	C	*	.	P	Polyproline II helix	trans	-62.2	148.2	162.9	-65.7	-39	0	0	0	110.2
560	P	87	Confident	90.6	Very high	45 Å²	45	43.9 Å²	43.9	29%	0.292	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-67.4	137	177.4	28.7	-34.3	0	0	0	110.8	V489 R490 V491 F779	V489-P560 HydrophobicContact CG1-CB 3.73Å; R490-P560 CarbonylContact O-C 3.57Å; R490-P560 WeakPolarHBondContact O-CA 3.41Å; V491-P560 HydrophobicContact CG2-CB 3.97Å; P560-F779 HydrophobicContact CB-CD1 4.3Å; P560-F779 HydrophobicContact CB-CE1 3.73Å; P560-F779 HydrophobicContact CB-CE2 4.45Å; P560-F779 HydrophobicContact CB-CZ 3.82Å; P560-F779 HydrophobicContact CG-CD1 3.89Å; P560-F779 HydrophobicContact CG-CD2 4.4Å; P560-F779 HydrophobicContact CG-CE1 3.84Å; P560-F779 HydrophobicContact CG-CE2 4.33Å; P560-F779 HydrophobicContact CG-CG 4.19Å; P560-F779 HydrophobicContact CG-CZ 4.06Å; P560-F779 WeakPolarHBondContact O-CE2 3.14Å
561	V	86.3	Confident	91	Very high	37 Å²	37	48.9 Å²	48.9	22%	0.224	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	142.7	-178.4	-179	0	0	0	0	109.6	V489 R490	V489-V561 CarbonylContact C-O 3.59Å; R490-V561 PolarHBondContact N-O 3.11Å; R490-V561 PolarHBondContact O-N 3.09Å
562	V	87	Confident	91.6	Very high	4 Å²	4	46.6 Å²	46.6	2%	0.024	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	137.2	176.5	-178.2	0	0	0	0	110.8	F564 P728 V775 V776 F779	V562-F564 HydrophobicContact CB-CE2 4.15Å; V562-F564 HydrophobicContact CG1-CE2 4.38Å; V562-F564 WeakPolarHBondContact O-CD2 3.41Å; V562-P728 VanDerWaalsContact CG1-CD 3.47Å; V562-P728 HydrophobicContact CG1-CG 3.2Å; V562-V775 HydrophobicContact CG1-CB 4.19Å; V562-V775 HydrophobicContact CG1-CG1 4.2Å; V562-V775 HydrophobicContact CG2-CB 4.28Å; V562-V775 HydrophobicContact CG2-CG1 3.82Å; V562-V776 HydrophobicContact CB-CB 4.48Å; V562-V776 HydrophobicContact CG2-CB 3.86Å; V562-V776 HydrophobicContact CG2-CG2 4.29Å; V562-F779 HydrophobicContact CG2-CE2 3.81Å; V562-F779 HydrophobicContact CG2-CZ 3.69Å
563	S	84.2	Confident	92.2	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.007	26%	0.262	C	S	.	.			trans	-81.6	115.7	172.6	-47.9	0	0	0	0	109.4	V488 R490 W802	V488-S563 PolarHBondContact O-N 2.72Å; V488-S563 PolarHBondContact O-OG 3.21Å; R490-S563 WeakPolarHBondContact CD-OG 3.13Å; R490-S563 WeakPolarHBondContact CG-OG 3.39Å; R490-S563 PolarHBondContact NE-OG 3.23Å; S563-W802 WeakPolarHBondContact O-CH2 3.33Å; S563-W802 VanDerWaalsContact O-CZ3 3.3Å; S563-W802 WeakPolarHBondContact O-CZ3 3.26Å
564	F	91.9	Very high	92.5	Very high	9 Å²	9	55.3 Å²	55.3	4%	0.039	28%	0.281	C	S	.	.			trans	-85.7	172	172.2	-70.7	-102.4	0	0	0	109.9	V562 E680 L725 L726 E727 M805 L819 I823	V562-F564 HydrophobicContact CB-CE2 4.15Å; V562-F564 HydrophobicContact CG1-CE2 4.38Å; V562-F564 WeakPolarHBondContact O-CD2 3.41Å; F564-E680 HydrophobicContact CB-CG 4.35Å; F564-L725 HydrophobicContact CD1-CB 4.41Å; F564-L725 HydrophobicContact CD1-CD1 4.44Å; F564-L726 WeakPolarHBondContact CA-O 3.27Å; F564-L726 WeakPolarHBondContact CD1-O 3.24Å; F564-E727 HydrophobicContact CD1-CB 3.94Å; F564-E727 HydrophobicContact CE1-CB 3.57Å; F564-M805 HydrophobicContact CE1-SD 4.11Å; F564-L819 HydrophobicContact CE1-CD1 4.28Å; F564-L819 HydrophobicContact CZ-CD1 4.25Å; F564-I823 HydrophobicContact CD2-CD1 3.97Å; F564-I823 HydrophobicContact CG-CD1 4.4Å
565	R	93.7	Very high	92.8	Very high	32 Å²	32	53.2 Å²	53.2	12%	0.121	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	152.9	164	-57.1	-71.1	175.6	-107.9	1.2	109.9	N681 R683 L725 L726 W802	R565-N681 CarbonylContact C-O 3.53Å; R565-N681 WeakPolarHBondContact CA-O 3.4Å; R565-N681 WeakPolarHBondContact CB-O 3.38Å; R565-N681 WeakPolarHBondContact CD-O 3.15Å; R565-R683 HydrophobicContact CB-CB 3.9Å; R565-R683 HydrophobicContact CG-CB 4.15Å; R565-L725 CarbonylContact O-C 3.59Å; R565-L725 WeakPolarHBondContact O-CA 3.27Å; R565-L726 HydrophobicContact CB-CB 4.07Å; R565-L726 HydrophobicContact CB-CD1 4.15Å; R565-L726 PolarHBondContact N-O 3.09Å; R565-L726 PolarHBondContact O-N 3.22Å; R565-W802 HydrophobicContact CB-CE3 4.42Å; R565-W802 HydrophobicContact CB-CZ3 4.41Å; R565-W802 HydrophobicContact CG-CD2 4.07Å; R565-W802 HydrophobicContact CG-CE3 3.85Å; R565-W802 HydrophobicContact CG-CH2 3.63Å; R565-W802 HydrophobicContact CG-CZ2 3.85Å; R565-W802 HydrophobicContact CG-CZ3 3.61Å
566	E	97.1	Very high	93	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	139.8	171.2	-51.6	-169.8	-165.4	0	0	110	G675 P676 L677 A678 E679 E680 N681 M682 R683 Q718 L725	E566-G675 VanDerWaalsContact CD-CA 3.47Å; E566-G675 VanDerWaalsContact OE1-C 3.31Å; E566-G675 WeakPolarHBondContact OE1-CA 3.15Å; E566-G675 VanDerWaalsContact OE2-C 3.28Å; E566-G675 VanDerWaalsContact OE2-CA 3.32Å; E566-G675 WeakPolarHBondContact OE2-CA 3.43Å; E566-P676 VanDerWaalsContact OE2-CD 3.23Å; E566-P676 WeakPolarHBondContact OE2-CD 3.43Å; E566-L677 VanDerWaalsContact CD-CB 3.5Å; E566-L677 HydrophobicContact CG-CB 4.31Å; E566-L677 HydrophobicContact CG-CD1 4.35Å; E566-L677 HydrophobicContact CG-CG 4.48Å; E566-L677 PolarHBondContact OE1-N 3.26Å; E566-L677 WeakPolarHBondContact OE2-CB 3.32Å; E566-L677 WeakPolarHBondContact OE2-CG 3.4Å; E566-L677 PolarHBondContact OE2-N 2.87Å; E566-A678 PolarHBondContact OE1-N 2.73Å; E566-E679 PolarHBondContact OE1-N 2.85Å; E566-E680 HydrophobicContact CG-CB 3.9Å; E566-E680 PolarHBondContact OE1-N 3.33Å; E566-N681 PolarHBondContact N-O 3.5Å; E566-M682 HydrophobicContact CB-CG 4.44Å; E566-M682 CarbonylContact O-C 3.48Å; E566-M682 WeakPolarHBondContact O-CA 3.35Å; E566-R683 PolarHBondContact O-N 2.63Å; E566-Q718 PolarHBondContact OE2-NE2 3.21Å; E566-L725 HydrophobicContact CG-CD2 4.41Å
567	T	97.4	Very high	93.2	Very high	7 Å²	7	48.5 Å²	48.5	4%	0.043	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	-177	177.7	-161.5	0	0	0	0	110.8	R683 P723 R724 L726 M804	T567-R683 WeakPolarHBondContact CB-O 3.36Å; T567-R683 PolarHBondContact OG1-O 2.79Å; T567-P723 CarbonylContact O-C 3.56Å; T567-P723 VanDerWaalsContact O-CA 3.28Å; T567-P723 WeakPolarHBondContact O-CA 3.09Å; T567-R724 HydrophobicContact CG2-CB 3.91Å; T567-R724 PolarHBondContact N-O 3.17Å; T567-R724 PolarHBondContact O-N 2.9Å; T567-L726 HydrophobicContact CG2-CD1 4.07Å; T567-L726 HydrophobicContact CG2-CD2 3.74Å; T567-L726 HydrophobicContact CG2-CG 3.6Å; T567-M804 HydrophobicContact CG2-CE 3.82Å
568	V	97.6	Very high	93.5	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	145	174	-64.7	0	0	0	0	109.6	R592 P593 I685 Q718 A721	V568-R592 VanDerWaalsContact CG2-C 3.41Å; V568-P593 HydrophobicContact CG2-CB 4.4Å; V568-I685 HydrophobicContact CG1-CD1 4.16Å; V568-I685 HydrophobicContact CG1-CG2 4.38Å; V568-I685 HydrophobicContact CG2-CB 4.45Å; V568-I685 HydrophobicContact CG2-CG1 4.18Å; V568-I685 HydrophobicContact CG2-CG2 3.87Å; V568-Q718 HydrophobicContact CG1-CB 4.29Å; V568-Q718 HydrophobicContact CG1-CG 3.65Å; V568-A721 HydrophobicContact CB-CB 3.87Å; V568-A721 WeakPolarHBondContact CB-O 3.19Å; V568-A721 HydrophobicContact CG1-CB 3.62Å
569	C	94.4	Very high	93.9	Very high	62 Å²	62	41.8 Å²	41.8	42%	0.419	22%	0.215	S	C	.	.	S	Bend	trans	-93.2	-24.3	178.7	-177.8	0	0	0	0	112.1	A721 K722 R724 M804	C569-A721 PolarHBondContact N-O 2.92Å; C569-K722 HydrophobicContact CB-CB 4.24Å; C569-K722 WeakPolarHBondContact CB-O 3.49Å; C569-K722 PolarHBondContact N-O 3.01Å; C569-R724 HydrophobicContact CB-CG 3.96Å; C569-M804 HydrophobicContact CB-SD 4.21Å
570	D	95.9	Very high	94.4	Very high	71 Å²	71	35.5 Å²	35.5	38%	0.38	18%	0.182	S	C	.	.	S	Bend	trans	-143.7	174.1	-170.8	-154.8	-15.4	0	0	0	110.7	P593 A721 K722	D570-P593 VanDerWaalsContact C-CD 3.43Å; D570-P593 VanDerWaalsContact O-CD 3.3Å; D570-P593 WeakPolarHBondContact O-CD 3.46Å; D570-A721 PolarHBondContact N-O 3.19Å; D570-A721 WeakPolarHBondContact O-CB 3.41Å; D570-K722 HydrophobicContact CB-CB 4.37Å; D570-K722 HydrophobicContact CB-CD 3.86Å; D570-K722 HydrophobicContact CB-CG 4.29Å; D570-K722 IonicContact OD2-NZ 2.82Å; D570-K722 PolarHBondContact OD2-NZ 2.81Å
571	R	97.8	Very high	94.7	Very high	114 Å²	114	37.4 Å²	37.4	43%	0.43	19%	0.194	S	C	.	.			trans	-69.4	149.3	169.4	-171.5	171.7	-174.1	136.5	12.5	110.1	T573 E590 A591 R592 E688	R571-T573 PolarHBondContact O-N 2.82Å; R571-E590 IonicContact CZ-OE2 3.5Å; R571-E590 IonicContact NE-OE2 3.85Å; R571-E590 PolarHBondContact NE-OE2 3.35Å; R571-E590 IonicContact NH2-OE2 3.34Å; R571-E590 PolarHBondContact NH2-OE2 3.31Å; R571-A591 CarbonylContact C-O 3.57Å; R571-A591 WeakPolarHBondContact CA-O 3.35Å; R571-R592 HydrophobicContact CB-CB 4.24Å; R571-R592 HydrophobicContact CG-CB 4.25Å; R571-E688 IonicContact CZ-OE2 2.75Å; R571-E688 IonicContact NH2-OE2 3.66Å; R571-E688 PolarHBondContact NH2-OE2 3.16Å
572	S	97.5	Very high	95	Very high	8 Å²	8	37.8 Å²	37.8	6%	0.056	20%	0.195	C	C	.	.			trans	-49.1	130.3	169.5	-63.9	0	0	0	0	110.1	R574 A591 S717 T720	S572-R574 WeakPolarHBondContact CB-O 3.4Å; S572-R574 PolarHBondContact O-N 2.75Å; S572-R574 VanDerWaalsContact O-N 3.08Å; S572-A591 PolarHBondContact N-O 3.15Å; S572-A591 PolarHBondContact OG-N 3.04Å; S572-A591 PolarHBondContact OG-O 3.39Å; S572-S717 PolarHBondContact OG-O 2.65Å; S572-T720 WeakPolarHBondContact CA-O 3.43Å; S572-T720 PolarHBondContact OG-OG1 2.9Å
573	T	95.9	Very high	95.3	Very high	107 Å²	107	44.9 Å²	44.9	66%	0.656	23%	0.226	S	C	*	.	S	Bend	trans	-61	-18.5	-179.8	49.5	0	0	0	0	114	R571 T720	R571-T573 PolarHBondContact O-N 2.82Å; T573-T720 PolarHBondContact N-O 2.98Å; T573-T720 PolarHBondContact OG1-O 3.27Å
574	R	95.7	Very high	95.7	Very high	132 Å²	132	49 Å²	49	50%	0.498	25%	0.245	S	C	.	.	S	Bend	trans	-158.3	162.8	172.8	60.7	-179.6	174.4	-128.2	-6.7	110.3	S572 V576 E840	S572-R574 WeakPolarHBondContact CB-O 3.4Å; S572-R574 PolarHBondContact O-N 2.75Å; S572-R574 VanDerWaalsContact O-N 3.08Å; R574-V576 PolarHBondContact O-N 3.38Å; R574-E840 IonicContact CZ-OE1 3.51Å; R574-E840 IonicContact CZ-OE2 3.77Å; R574-E840 IonicContact NE-OE1 2.92Å; R574-E840 PolarHBondContact NE-OE1 3.11Å; R574-E840 IonicContact NE-OE2 3.82Å; R574-E840 IonicContact NH2-OE1 3.36Å; R574-E840 PolarHBondContact NH2-OE1 3.46Å; R574-E840 IonicContact NH2-OE2 2.88Å; R574-E840 PolarHBondContact NH2-OE2 2.77Å
575	T	96.8	Very high	95.9	Very high	61 Å²	61	48.7 Å²	48.7	37%	0.374	24%	0.244	S	C	.	.			trans	-66.1	117.2	165.2	-39	0	0	0	0	110	Y588 E590 C690	T575-Y588 HydrophobicContact CG2-CD1 4.46Å; T575-E590 WeakPolarHBondContact CA-OE1 3.33Å; T575-E590 WeakPolarHBondContact CB-OE1 3.46Å; T575-E590 HydrophobicContact CG2-CG 4.23Å; T575-E590 PolarHBondContact N-OE1 3.16Å; T575-E590 PolarHBondContact OG1-OE1 2.96Å; T575-C690 HydrophobicContact CG2-CB 3.91Å
576	V	97.3	Very high	96.1	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	156.8	176.4	-66	0	0	0	0	110.5	R574 Y588 M589 V713 A716 S717 T720 E840	R574-V576 PolarHBondContact O-N 3.38Å; V576-Y588 CarbonylContact O-C 3.57Å; V576-Y588 VanDerWaalsContact O-CA 3.26Å; V576-Y588 WeakPolarHBondContact O-CA 3.38Å; V576-M589 WeakPolarHBondContact CG2-O 3.36Å; V576-M589 PolarHBondContact N-O 3.14Å; V576-M589 VanDerWaalsContact N-O 3.08Å; V576-M589 PolarHBondContact O-N 3.24Å; V576-V713 HydrophobicContact CG2-CG2 3.87Å; V576-A716 HydrophobicContact CB-CB 4Å; V576-A716 HydrophobicContact CG1-CB 4.21Å; V576-A716 HydrophobicContact CG2-CB 3.85Å; V576-S717 WeakPolarHBondContact CG2-OG 3.48Å; V576-T720 HydrophobicContact CG1-CG2 3.72Å; V576-E840 HydrophobicContact CB-CG 4.28Å; V576-E840 HydrophobicContact CG1-CG 4.33Å
577	M	97	Very high	96.1	Very high	10 Å²	10	50.7 Å²	50.7	5%	0.049	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	141.2	-179.7	-178.5	-88.8	-67.5	0	0	111.6	K579 R586 L587 Y588 D841 L843	M577-K579 HydrophobicContact CE-CG 4.36Å; M577-K579 HydrophobicContact SD-CG 3.69Å; M577-R586 HydrophobicContact CG-CB 4.11Å; M577-R586 HydrophobicContact SD-CB 4.09Å; M577-R586 HydrophobicContact SD-CG 4.25Å; M577-L587 VanDerWaalsContact CA-O 3.28Å; M577-L587 WeakPolarHBondContact CA-O 3.28Å; M577-Y588 HydrophobicContact CB-CD1 3.64Å; M577-Y588 HydrophobicContact CB-CE1 3.61Å; M577-Y588 HydrophobicContact CB-CG 4.28Å; M577-Y588 HydrophobicContact CG-CD1 3.8Å; M577-Y588 HydrophobicContact CG-CD2 4.25Å; M577-Y588 HydrophobicContact CG-CE1 3.46Å; M577-Y588 VanDerWaalsContact CG-CE1 3.46Å; M577-Y588 HydrophobicContact CG-CE2 3.93Å; M577-Y588 HydrophobicContact CG-CG 4.18Å; M577-D841 HydrophobicContact CE-CB 4.28Å; M577-D841 WeakPolarHBondContact CE-O 3.46Å; M577-D841 PolarHBondContact O-N 3.32Å; M577-D841 HydrophobicContact SD-CB 4.12Å; M577-L843 HydrophobicContact CE-CD2 4.46Å; M577-L843 HydrophobicContact CE-CG 4.06Å
578	S	98.2	Very high	96.2	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	141.9	167.9	-51.7	0	0	0	0	110.7	R586 L587 T709 V713 F839	S578-R586 WeakPolarHBondContact O-CA 3.4Å; S578-L587 PolarHBondContact N-O 3.05Å; S578-L587 VanDerWaalsContact N-O 3.08Å; S578-L587 PolarHBondContact O-N 2.92Å; S578-T709 WeakPolarHBondContact O-CG2 3.41Å; S578-V713 VanDerWaalsContact OG-CA 3.22Å; S578-V713 WeakPolarHBondContact OG-CA 3.23Å; S578-V713 WeakPolarHBondContact OG-CB 3.49Å; S578-V713 PolarHBondContact OG-N 3.03Å; S578-F839 PolarHBondContact OG-O 3.28Å
579	K	97.5	Very high	96.2	Very high	41 Å²	41	52.2 Å²	52.2	18%	0.178	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	149.7	176.6	-65.3	174.2	173.2	165.3	0	110.3	M577 N585 R586 T709 R712 D841 K842 L843	M577-K579 HydrophobicContact CE-CG 4.36Å; M577-K579 HydrophobicContact SD-CG 3.69Å; K579-N585 CarbonylContact C-O 3.45Å; K579-N585 WeakPolarHBondContact CA-O 3.37Å; K579-R586 HydrophobicContact CG-CG 4.24Å; K579-T709 PolarHBondContact O-OG1 2.91Å; K579-T709 VanDerWaalsContact O-OG1 3.14Å; K579-R712 PolarHBondContact O-NH1 3.45Å; K579-D841 HydrophobicContact CB-CB 4.48Å; K579-D841 WeakPolarHBondContact CB-OD2 3.47Å; K579-D841 HydrophobicContact CD-CB 4.15Å; K579-D841 HydrophobicContact CG-CB 4.01Å; K579-D841 PolarHBondContact N-OD2 3.14Å; K579-K842 WeakPolarHBondContact CE-O 3.43Å; K579-K842 PolarHBondContact NZ-O 2.75Å; K579-L843 PolarHBondContact NZ-OXT 2.73Å
580	S	96.3	Very high	96.4	Very high	4 Å²	4	50.3 Å²	50.3	3%	0.028	24%	0.241	C	C	.	.			trans	-64.1	157.2	167	57.1	0	0	0	0	112	N582 K583 H584 N585 T709	S580-N582 WeakPolarHBondContact CB-OD1 3.27Å; S580-N582 PolarHBondContact O-N 3.34Å; S580-N582 PolarHBondContact OG-OD1 3.22Å; S580-K583 VanDerWaalsContact O-CA 3.3Å; S580-K583 WeakPolarHBondContact O-CA 3.29Å; S580-K583 PolarHBondContact O-N 3.31Å; S580-K583 PolarHBondContact OG-N 3.04Å; S580-H584 PolarHBondContact OG-N 3.35Å; S580-N585 PolarHBondContact N-O 2.75Å; S580-N585 PolarHBondContact OG-N 2.83Å; S580-N585 PolarHBondContact OG-ND2 2.99Å; S580-N585 PolarHBondContact OG-O 2.93Å; S580-T709 VanDerWaalsContact CA-OG1 3.23Å; S580-T709 WeakPolarHBondContact CA-OG1 3.43Å
581	P	93.9	Very high	96.5	Very high	85 Å²	85	47 Å²	47	55%	0.552	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.8	-39.8	174.8	-28.9	34.1	0	0	0	113.4	K583 P708	P581-K583 VanDerWaalsContact C-N 3.28Å; P581-K583 PolarHBondContact O-N 3.01Å; P581-P708 HydrophobicContact CG-CG 4.44Å
582	N	92.4	Very high	96.5	Very high	45 Å²	45	43 Å²	43	24%	0.241	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	1	174.8	68.3	11.5	0	0	0	114.6	S580 H584 H700 Q705	S580-N582 WeakPolarHBondContact CB-OD1 3.27Å; S580-N582 PolarHBondContact O-N 3.34Å; S580-N582 PolarHBondContact OG-OD1 3.22Å; N582-H584 PolarHBondContact O-CD2 3.46Å; N582-H584 VanDerWaalsContact O-CD2 3.28Å; N582-H584 PolarHBondContact O-N 2.95Å; N582-H584 VanDerWaalsContact O-N 3.11Å; N582-H584 WeakPolarHBondContact OD1-CB 3.5Å; N582-H584 PolarHBondContact OD1-N 3.36Å; N582-H584 VanDerWaalsContact OD1-N 3.09Å; N582-H700 PolarHBondContact ND2-ND1 3.33Å; N582-H700 VanDerWaalsContact ND2-ND1 3.17Å; N582-Q705 PolarHBondContact ND2-OE1 2.87Å; N582-Q705 PolarHBondContact OD1-OE1 2.79Å
583	K	93.1	Very high	96.5	Very high	153 Å²	153	44.7 Å²	44.7	67%	0.665	22%	0.22	S	C	*	.	S	Bend	trans	62.1	8.7	179.5	-53.1	178.7	-178	179	0	116.1	S580 P581	S580-K583 VanDerWaalsContact O-CA 3.3Å; S580-K583 WeakPolarHBondContact O-CA 3.29Å; S580-K583 PolarHBondContact O-N 3.31Å; S580-K583 PolarHBondContact OG-N 3.04Å; P581-K583 VanDerWaalsContact C-N 3.28Å; P581-K583 PolarHBondContact O-N 3.01Å
584	H	93.5	Very high	96.5	Very high	88 Å²	88	40.6 Å²	40.6	41%	0.407	19%	0.193	S	C	.	.	S	Bend	trans	-86	-19.5	-178.5	-68.3	-59.2	0	0	0	114.2	S580 N582 H695 H700	S580-H584 PolarHBondContact OG-N 3.35Å; N582-H584 PolarHBondContact O-CD2 3.46Å; N582-H584 VanDerWaalsContact O-CD2 3.28Å; N582-H584 PolarHBondContact O-N 2.95Å; N582-H584 VanDerWaalsContact O-N 3.11Å; N582-H584 WeakPolarHBondContact OD1-CB 3.5Å; N582-H584 PolarHBondContact OD1-N 3.36Å; N582-H584 VanDerWaalsContact OD1-N 3.09Å; H584-H695 HydrophobicContact CB-CB 4.01Å; H584-H695 AromaticContact CG-CD2 3.94Å; H584-H695 AromaticContact ND1-CD2 3.9Å; H584-H700 HydrophobicContact CB-CB 4.46Å; H584-H700 AromaticContact CD2-CE1 3.84Å; H584-H700 AromaticContact CD2-ND1 3.44Å; H584-H700 PolarHBondContact CD2-ND1 3.38Å
585	N	95.9	Very high	96.5	Very high	3 Å²	3	37.1 Å²	37.1	2%	0.016	18%	0.183	C	C	.	.			trans	-118.5	154.1	176.5	-44.4	-76	0	0	0	111.2	K579 S580 V693 L694 H695 H700	K579-N585 CarbonylContact C-O 3.45Å; K579-N585 WeakPolarHBondContact CA-O 3.37Å; S580-N585 PolarHBondContact N-O 2.75Å; S580-N585 PolarHBondContact OG-N 2.83Å; S580-N585 PolarHBondContact OG-ND2 2.99Å; S580-N585 PolarHBondContact OG-O 2.93Å; N585-V693 CarbonylContact C-O 3.56Å; N585-V693 WeakPolarHBondContact CA-O 3.18Å; N585-L694 HydrophobicContact CB-CD2 4.13Å; N585-H695 PolarHBondContact OD1-N 3.27Å; N585-H700 PolarHBondContact ND2-O 2.7Å
586	R	97	Very high	96.3	Very high	70 Å²	70	43.3 Å²	43.3	26%	0.264	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	134.2	177	-48.9	-179.8	-174	165.5	-1.9	108.8	M577 S578 K579 Y588 V692 V693	M577-R586 HydrophobicContact CG-CB 4.11Å; M577-R586 HydrophobicContact SD-CB 4.09Å; M577-R586 HydrophobicContact SD-CG 4.25Å; S578-R586 WeakPolarHBondContact O-CA 3.4Å; K579-R586 HydrophobicContact CG-CG 4.24Å; R586-Y588 HydrophobicContact CB-CD2 4.47Å; R586-Y588 HydrophobicContact CB-CE2 3.73Å; R586-V692 CarbonylContact O-C 3.55Å; R586-V692 VanDerWaalsContact O-CA 3.3Å; R586-V692 WeakPolarHBondContact O-CA 3.24Å; R586-V693 HydrophobicContact CB-CB 4.04Å; R586-V693 HydrophobicContact CB-CG2 4.5Å; R586-V693 HydrophobicContact CG-CB 4.19Å; R586-V693 PolarHBondContact N-O 3.43Å; R586-V693 PolarHBondContact O-N 3.17Å
587	L	98	Very high	96	Very high	4 Å²	4	44.7 Å²	44.7	2%	0.021	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	133.5	172.9	-56.7	-178.8	0	0	0	108.3	M577 S578 I660 V664 V692 V706 T709 A710 V713	M577-L587 VanDerWaalsContact CA-O 3.28Å; M577-L587 WeakPolarHBondContact CA-O 3.28Å; S578-L587 PolarHBondContact N-O 3.05Å; S578-L587 VanDerWaalsContact N-O 3.08Å; S578-L587 PolarHBondContact O-N 2.92Å; L587-I660 HydrophobicContact CD2-CD1 3.86Å; L587-V664 HydrophobicContact CD1-CG2 4.28Å; L587-V692 HydrophobicContact CD2-CB 4.03Å; L587-V692 HydrophobicContact CD2-CG1 3.48Å; L587-V692 VanDerWaalsContact CD2-CG1 3.48Å; L587-V706 HydrophobicContact CD1-CG1 4.49Å; L587-T709 HydrophobicContact CB-CG2 4.4Å; L587-T709 HydrophobicContact CD1-CG2 3.94Å; L587-T709 HydrophobicContact CG-CG2 3.97Å; L587-A710 HydrophobicContact CD1-CB 3.96Å; L587-V713 HydrophobicContact CB-CG1 4.05Å; L587-V713 HydrophobicContact CD1-CG1 4.44Å
588	Y	98.3	Very high	95.9	Very high	37 Å²	37	44.2 Å²	44.2	15%	0.145	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	122	177.7	-63.1	-101.8	0	0	0	108.9	T575 V576 M577 R586 C690 D691 V693	T575-Y588 HydrophobicContact CG2-CD1 4.46Å; V576-Y588 CarbonylContact O-C 3.57Å; V576-Y588 VanDerWaalsContact O-CA 3.26Å; V576-Y588 WeakPolarHBondContact O-CA 3.38Å; M577-Y588 HydrophobicContact CB-CD1 3.64Å; M577-Y588 HydrophobicContact CB-CE1 3.61Å; M577-Y588 HydrophobicContact CB-CG 4.28Å; M577-Y588 HydrophobicContact CG-CD1 3.8Å; M577-Y588 HydrophobicContact CG-CD2 4.25Å; M577-Y588 HydrophobicContact CG-CE1 3.46Å; M577-Y588 VanDerWaalsContact CG-CE1 3.46Å; M577-Y588 HydrophobicContact CG-CE2 3.93Å; M577-Y588 HydrophobicContact CG-CG 4.18Å; R586-Y588 HydrophobicContact CB-CD2 4.47Å; R586-Y588 HydrophobicContact CB-CE2 3.73Å; Y588-C690 PolarHBondContact O-N 3.46Å; Y588-D691 WeakPolarHBondContact CB-O 3.38Å; Y588-D691 HydrophobicContact CD2-CB 4.09Å; Y588-D691 WeakPolarHBondContact CD2-O 3.29Å; Y588-D691 HydrophobicContact CG-CB 4.23Å; Y588-D691 PolarHBondContact N-O 2.91Å; Y588-D691 PolarHBondContact O-N 3.36Å; Y588-V693 HydrophobicContact CE2-CG2 4.09Å
589	M	98.3	Very high	95.7	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	156.6	-176.1	-59.2	-168.4	60.5	0	0	113.5	V576 V647 F687 E688 V689 V713 I714 S717	V576-M589 WeakPolarHBondContact CG2-O 3.36Å; V576-M589 PolarHBondContact N-O 3.14Å; V576-M589 VanDerWaalsContact N-O 3.08Å; V576-M589 PolarHBondContact O-N 3.24Å; M589-V647 HydrophobicContact CE-CG2 4.16Å; M589-F687 HydrophobicContact CE-CB 3.72Å; M589-E688 WeakPolarHBondContact CA-O 3.38Å; M589-E688 WeakPolarHBondContact CB-O 3.43Å; M589-V689 HydrophobicContact CE-CG2 3.7Å; M589-V689 HydrophobicContact CG-CG2 4.47Å; M589-V689 HydrophobicContact SD-CG2 4.11Å; M589-V713 HydrophobicContact CB-CG1 4.29Å; M589-V713 HydrophobicContact CB-CG2 3.88Å; M589-V713 HydrophobicContact CG-CG1 3.74Å; M589-V713 HydrophobicContact CG-CG2 4.03Å; M589-V713 HydrophobicContact SD-CG1 3.4Å; M589-V713 WeakPolarHBondContact SD-CG1 3.5Å; M589-I714 HydrophobicContact CE-CG1 4.05Å; M589-I714 HydrophobicContact SD-CG1 3.98Å; M589-S717 VanDerWaalsContact C-OG 3.31Å; M589-S717 WeakPolarHBondContact CB-OG 3.39Å; M589-S717 PolarHBondContact O-OG 3.27Å
590	E	98.3	Very high	95.3	Very high	22 Å²	22	45.9 Å²	45.9	10%	0.103	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	154	168.5	-69.1	179.2	-172.9	0	0	109.8	R571 T575 F687 E688	R571-E590 IonicContact CZ-OE2 3.5Å; R571-E590 IonicContact NE-OE2 3.85Å; R571-E590 PolarHBondContact NE-OE2 3.35Å; R571-E590 IonicContact NH2-OE2 3.34Å; R571-E590 PolarHBondContact NH2-OE2 3.31Å; T575-E590 WeakPolarHBondContact CA-OE1 3.33Å; T575-E590 WeakPolarHBondContact CB-OE1 3.46Å; T575-E590 HydrophobicContact CG2-CG 4.23Å; T575-E590 PolarHBondContact N-OE1 3.16Å; T575-E590 PolarHBondContact OG1-OE1 2.96Å; E590-F687 CarbonylContact O-C 3.58Å; E590-F687 WeakPolarHBondContact O-CA 3.42Å; E590-E688 PolarHBondContact N-O 3.45Å; E590-E688 PolarHBondContact O-N 2.9Å
591	A	98.4	Very high	94.9	Very high	1 Å²	1	46 Å²	46	1%	0.008	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	150.4	170.1	0	0	0	0	0	108.9	R571 S572 I685 C686 F687 A721	R571-A591 CarbonylContact C-O 3.57Å; R571-A591 WeakPolarHBondContact CA-O 3.35Å; S572-A591 PolarHBondContact N-O 3.15Å; S572-A591 PolarHBondContact OG-N 3.04Å; S572-A591 PolarHBondContact OG-O 3.39Å; A591-I685 HydrophobicContact CB-CG2 3.99Å; A591-C686 WeakPolarHBondContact CA-O 3.34Å; A591-F687 HydrophobicContact CB-CD1 3.73Å; A591-F687 HydrophobicContact CB-CE1 3.64Å; A591-A721 HydrophobicContact CB-CB 3.99Å
592	R	97.7	Very high	94.8	Very high	31 Å²	31	42.2 Å²	42.2	12%	0.117	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	157.1	171.5	62.5	174.3	-178.5	86.4	-8.3	110.2	V568 R571 E595 C686 E688	V568-R592 VanDerWaalsContact CG2-C 3.41Å; R571-R592 HydrophobicContact CB-CB 4.24Å; R571-R592 HydrophobicContact CG-CB 4.25Å; R592-E595 IonicContact CZ-OE1 3.74Å; R592-E595 IonicContact NH1-OE1 2.81Å; R592-E595 PolarHBondContact NH1-OE1 3.32Å; R592-E595 IonicContact NH1-OE2 2.73Å; R592-E595 IonicContact NH2-OE1 3.17Å; R592-C686 HydrophobicContact CG-CB 3.98Å; R592-C686 PolarHBondContact N-O 2.94Å; R592-C686 PolarHBondContact O-N 2.9Å; R592-E688 WeakPolarHBondContact CD-OE1 3.34Å; R592-E688 IonicContact CZ-OE1 3.52Å; R592-E688 IonicContact NE-OE1 3.17Å; R592-E688 PolarHBondContact NE-OE1 3.33Å; R592-E688 IonicContact NH2-OE1 2.82Å
593	P	97.7	Very high	94.4	Very high	44 Å²	44	44 Å²	44	29%	0.286	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	147.5	170	26.4	-35.1	0	0	0	110.1	V568 D570	V568-P593 HydrophobicContact CG2-CB 4.4Å; D570-P593 VanDerWaalsContact C-CD 3.43Å; D570-P593 VanDerWaalsContact O-CD 3.3Å; D570-P593 WeakPolarHBondContact O-CD 3.46Å
594	M	95.7	Very high	93.7	Very high	21 Å²	21	41.9 Å²	41.9	10%	0.103	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-67.9	158.5	163.9	-75.4	-177.9	167.1	0	0	110.7	L598 I602 N645 M646 G684 C686	M594-L598 HydrophobicContact CB-CB 4.41Å; M594-L598 HydrophobicContact CB-CD2 4.32Å; M594-L598 HydrophobicContact CG-CD2 4.32Å; M594-L598 HydrophobicContact SD-CD2 4.42Å; M594-L598 HydrophobicContact SD-CG 4.36Å; M594-I602 HydrophobicContact CE-CD1 4.04Å; M594-I602 HydrophobicContact SD-CD1 4.08Å; M594-N645 VanDerWaalsContact CE-C 3.5Å; M594-N645 VanDerWaalsContact CE-CA 3.45Å; M594-M646 HydrophobicContact CE-CB 3.86Å; M594-M646 HydrophobicContact CE-CE 4.21Å; M594-M646 HydrophobicContact CE-CG 3.5Å; M594-M646 VanDerWaalsContact CE-CG 3.5Å; M594-M646 HydrophobicContact CE-SD 3.91Å; M594-G684 PolarHBondContact N-O 3.23Å; M594-C686 HydrophobicContact CG-CB 4.43Å
595	E	94.8	Very high	92.9	Very high	58 Å²	58	39.1 Å²	39.1	27%	0.271	21%	0.206	S	C	.	.	P	Polyproline II helix	trans	-65.1	151.4	173	-61.3	75.6	-163.3	0	0	110.7	R592 G597 L598 F624 W626	R592-E595 IonicContact CZ-OE1 3.74Å; R592-E595 IonicContact NH1-OE1 2.81Å; R592-E595 PolarHBondContact NH1-OE1 3.32Å; R592-E595 IonicContact NH1-OE2 2.73Å; R592-E595 IonicContact NH2-OE1 3.17Å; E595-G597 PolarHBondContact O-N 2.83Å; E595-L598 VanDerWaalsContact O-CB 3.25Å; E595-L598 WeakPolarHBondContact O-CB 3.17Å; E595-L598 PolarHBondContact O-N 3.47Å; E595-L598 VanDerWaalsContact O-N 3.08Å; E595-L598 VanDerWaalsContact OE2-CD2 3.26Å; E595-L598 WeakPolarHBondContact OE2-CD2 3.42Å; E595-F624 HydrophobicContact CB-CB 4.32Å; E595-F624 HydrophobicContact CB-CD1 4.39Å; E595-W626 PolarHBondContact OE1-NE1 3.17Å; E595-W626 PolarHBondContact OE2-NE1 2.9Å
596	E	92.3	Very high	92.2	Very high	191 Å²	191	44.9 Å²	44.9	89%	0.893	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.8	133.3	-178.5	-171.1	176.8	178.1	0	0	111.3	L598	E596-L598 PolarHBondContact O-N 3.23Å
597	G	91.6	Very high	91.8	Very high	30 Å²	30	41.6 Å²	41.6	31%	0.309	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.8	-11.2	-178.6	0	0	0	0	0	115.3	E595 E600 A601	E595-G597 PolarHBondContact O-N 2.83Å; G597-E600 WeakPolarHBondContact CA-OE2 3.37Å; G597-E600 PolarHBondContact N-OE2 3.46Å; G597-E600 PolarHBondContact O-N 2.97Å; G597-A601 WeakPolarHBondContact O-CB 3.48Å; G597-A601 PolarHBondContact O-N 2.81Å
598	L	95.1	Very high	91.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-70	-39.1	-176.9	179.2	55.5	0	0	0	111.6	M594 E595 E596 E600 A601 I602 I607 L620 F624 W626 M646	M594-L598 HydrophobicContact CB-CB 4.41Å; M594-L598 HydrophobicContact CB-CD2 4.32Å; M594-L598 HydrophobicContact CG-CD2 4.32Å; M594-L598 HydrophobicContact SD-CD2 4.42Å; M594-L598 HydrophobicContact SD-CG 4.36Å; E595-L598 VanDerWaalsContact O-CB 3.25Å; E595-L598 WeakPolarHBondContact O-CB 3.17Å; E595-L598 PolarHBondContact O-N 3.47Å; E595-L598 VanDerWaalsContact O-N 3.08Å; E595-L598 VanDerWaalsContact OE2-CD2 3.26Å; E595-L598 WeakPolarHBondContact OE2-CD2 3.42Å; E596-L598 PolarHBondContact O-N 3.23Å; L598-E600 VanDerWaalsContact C-N 3.32Å; L598-E600 PolarHBondContact O-N 3.25Å; L598-A601 PolarHBondContact O-N 2.84Å; L598-I602 HydrophobicContact CD1-CD1 4.31Å; L598-I602 HydrophobicContact CD1-CG1 4.43Å; L598-I602 HydrophobicContact CG-CD1 4.19Å; L598-I602 WeakPolarHBondContact O-CD1 3.48Å; L598-I602 VanDerWaalsContact O-CG1 3.27Å; L598-I602 WeakPolarHBondContact O-CG1 3.21Å; L598-I602 PolarHBondContact O-N 2.94Å; L598-I602 VanDerWaalsContact O-N 3.09Å; L598-I607 HydrophobicContact CD1-CD1 3.66Å; L598-L620 HydrophobicContact CD1-CD2 3.58Å; L598-L620 HydrophobicContact CD2-CD2 4.16Å; L598-F624 HydrophobicContact CB-CD1 3.75Å; L598-F624 HydrophobicContact CB-CE1 3.85Å; L598-F624 HydrophobicContact CB-CG 4.29Å; L598-F624 HydrophobicContact CB-CZ 4.45Å; L598-F624 HydrophobicContact CD1-CD1 4.32Å; L598-F624 HydrophobicContact CD1-CD2 3.96Å; L598-F624 HydrophobicContact CD1-CE1 4.37Å; L598-F624 HydrophobicContact CD1-CE2 4.02Å; L598-F624 HydrophobicContact CD1-CG 4.1Å; L598-F624 HydrophobicContact CD1-CZ 4.22Å; L598-W626 HydrophobicContact CD2-CZ2 4.16Å; L598-M646 HydrophobicContact CD1-CE 4.43Å; L598-M646 HydrophobicContact CD2-CE 4.24Å
599	A	93.1	Very high	90.3	Very high	5 Å²	5	42.8 Å²	42.8	4%	0.041	23%	0.229	C	C	.	.	H	α-helix	trans	-62.7	-42.6	176.9	0	0	0	0	0	110.9	I602 D603 P644	A599-I602 PolarHBondContact O-N 3.04Å; A599-D603 PolarHBondContact O-N 2.82Å; A599-P644 HydrophobicContact CB-CB 4Å
600	E	89.7	Confident	89.3	Confident	71 Å²	71	51.3 Å²	51.3	33%	0.332	26%	0.261	S	S	.	.	H	α-helix	trans	-63.7	-44.1	176.9	-64.8	64.9	-140.5	0	0	110.7	G597 L598 I602 D603 D604 R683	G597-E600 WeakPolarHBondContact CA-OE2 3.37Å; G597-E600 PolarHBondContact N-OE2 3.46Å; G597-E600 PolarHBondContact O-N 2.97Å; L598-E600 VanDerWaalsContact C-N 3.32Å; L598-E600 PolarHBondContact O-N 3.25Å; E600-I602 PolarHBondContact O-N 3.03Å; E600-D603 PolarHBondContact O-N 3.16Å; E600-D604 WeakPolarHBondContact O-CB 3.37Å; E600-D604 PolarHBondContact O-N 3.49Å; E600-R683 IonicContact OE1-CZ 3.93Å; E600-R683 IonicContact OE1-NH1 3.68Å; E600-R683 PolarHBondContact OE1-NH1 2.91Å; E600-R683 IonicContact OE1-NH2 3.54Å; E600-R683 PolarHBondContact OE1-NH2 2.83Å
601	A	89.2	Confident	88.4	Confident	5 Å²	5	52.9 Å²	52.9	4%	0.041	27%	0.271	C	S	.	.	H	α-helix	trans	-62.3	-30.1	176	0	0	0	0	0	113.2	G597 L598 G605 R606 I607 F624	G597-A601 WeakPolarHBondContact O-CB 3.48Å; G597-A601 PolarHBondContact O-N 2.81Å; L598-A601 PolarHBondContact O-N 2.84Å; A601-G605 PolarHBondContact O-N 3.01Å; A601-R606 HydrophobicContact CB-CB 4.47Å; A601-R606 WeakPolarHBondContact O-CB 3.45Å; A601-R606 PolarHBondContact O-N 3.49Å; A601-I607 HydrophobicContact CB-CD1 4.26Å; A601-I607 PolarHBondContact O-N 3.3Å; A601-F624 HydrophobicContact CB-CE2 4.44Å; A601-F624 HydrophobicContact CB-CZ 3.89Å
602	I	90.5	Very high	87.5	Confident	7 Å²	7	56.7 Å²	56.7	4%	0.036	29%	0.291	C	S	.	.	H	α-helix	trans	-75.7	-44.6	173.7	-62.4	160.1	0	0	0	110.8	M594 L598 A599 E600 D604 G605 I607 F637 P644 M646	M594-I602 HydrophobicContact CE-CD1 4.04Å; M594-I602 HydrophobicContact SD-CD1 4.08Å; L598-I602 HydrophobicContact CD1-CD1 4.31Å; L598-I602 HydrophobicContact CD1-CG1 4.43Å; L598-I602 HydrophobicContact CG-CD1 4.19Å; L598-I602 WeakPolarHBondContact O-CD1 3.48Å; L598-I602 VanDerWaalsContact O-CG1 3.27Å; L598-I602 WeakPolarHBondContact O-CG1 3.21Å; L598-I602 PolarHBondContact O-N 2.94Å; L598-I602 VanDerWaalsContact O-N 3.09Å; A599-I602 PolarHBondContact O-N 3.04Å; E600-I602 PolarHBondContact O-N 3.03Å; I602-D604 VanDerWaalsContact C-N 3.3Å; I602-D604 PolarHBondContact O-N 3.2Å; I602-G605 VanDerWaalsContact O-CA 3.28Å; I602-G605 WeakPolarHBondContact O-CA 3.2Å; I602-G605 PolarHBondContact O-N 2.99Å; I602-I607 WeakPolarHBondContact CA-O 3.35Å; I602-I607 HydrophobicContact CG1-CB 4.18Å; I602-I607 HydrophobicContact CG1-CG2 4.21Å; I602-F637 HydrophobicContact CD1-CD1 4.18Å; I602-F637 HydrophobicContact CD1-CE1 3.96Å; I602-F637 HydrophobicContact CG1-CD1 4.43Å; I602-F637 HydrophobicContact CG1-CE1 4.05Å; I602-F637 HydrophobicContact CG2-CD1 4.09Å; I602-F637 HydrophobicContact CG2-CE1 4.43Å; I602-P644 HydrophobicContact CB-CB 4.2Å; I602-P644 HydrophobicContact CD1-CB 4.47Å; I602-P644 HydrophobicContact CG2-CB 4.22Å; I602-M646 HydrophobicContact CD1-CE 3.69Å; I602-M646 HydrophobicContact CG1-CE 4.48Å
603	D	85	Confident	86.8	Confident	82 Å²	82	58.2 Å²	58.2	44%	0.439	30%	0.304	S	S	.	.	H	α-helix	trans	-58.7	-42.2	177.1	-73.2	-32.1	0	0	0	111.1	A599 E600 G605 P644 R683	A599-D603 PolarHBondContact O-N 2.82Å; E600-D603 PolarHBondContact O-N 3.16Å; D603-G605 PolarHBondContact O-N 2.76Å; D603-P644 WeakPolarHBondContact OD1-CD 3.16Å; D603-P644 WeakPolarHBondContact OD1-CG 3.46Å; D603-R683 IonicContact OD2-CZ 3.5Å; D603-R683 IonicContact OD2-NE 3.5Å; D603-R683 PolarHBondContact OD2-NE 2.92Å; D603-R683 IonicContact OD2-NH2 3.84Å; D603-R683 PolarHBondContact OD2-NH2 3.37Å
604	D	78.1	Confident	86.2	Confident	108 Å²	108	63.7 Å²	63.7	58%	0.578	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-12.4	174.3	-68.6	-22.3	0	0	0	112.8	K482 E600 I602 R606	K482-D604 PolarHBondContact NZ-O 2.91Å; E600-D604 WeakPolarHBondContact O-CB 3.37Å; E600-D604 PolarHBondContact O-N 3.49Å; I602-D604 VanDerWaalsContact C-N 3.3Å; I602-D604 PolarHBondContact O-N 3.2Å; D604-R606 VanDerWaalsContact C-N 3.3Å; D604-R606 HydrophobicContact CB-CG 4.5Å; D604-R606 PolarHBondContact O-N 3.37Å
605	G	76.5	Confident	85.7	Confident	30 Å²	30	67.7 Å²	67.7	31%	0.309	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.3	34.7	-176.8	0	0	0	0	0	112.8	K482 A601 I602 D603 I607	K482-G605 PolarHBondContact NZ-O 2.83Å; A601-G605 PolarHBondContact O-N 3.01Å; I602-G605 VanDerWaalsContact O-CA 3.28Å; I602-G605 WeakPolarHBondContact O-CA 3.2Å; I602-G605 PolarHBondContact O-N 2.99Å; D603-G605 PolarHBondContact O-N 2.76Å; G605-I607 VanDerWaalsContact C-N 3.33Å
606	R	81.7	Confident	85.5	Confident	125 Å²	125	65.7 Å²	65.7	47%	0.472	34%	0.335	S	S	.	.	S	Bend	trans	-74.5	-28.8	163.1	-75.1	171.8	25.1	117	5.5	111.2	A601 D604 E623	A601-R606 HydrophobicContact CB-CB 4.47Å; A601-R606 WeakPolarHBondContact O-CB 3.45Å; A601-R606 PolarHBondContact O-N 3.49Å; D604-R606 VanDerWaalsContact C-N 3.3Å; D604-R606 HydrophobicContact CB-CG 4.5Å; D604-R606 PolarHBondContact O-N 3.37Å; R606-E623 IonicContact CZ-OE2 3.29Å; R606-E623 IonicContact NH1-OE2 3.34Å; R606-E623 IonicContact NH2-OE1 3.33Å; R606-E623 IonicContact NH2-OE2 3.09Å; R606-E623 PolarHBondContact NH2-OE2 3.43Å
607	I	87.1	Confident	85.4	Confident	1 Å²	1	57 Å²	57	1%	0.005	29%	0.294	C	S	.	.	S	Bend	trans	-128.4	129.7	175.4	-63.7	172.4	0	0	0	107.9	L598 A601 I602 G605 D611 R616 I619 L620 F624 F637	L598-I607 HydrophobicContact CD1-CD1 3.66Å; A601-I607 HydrophobicContact CB-CD1 4.26Å; A601-I607 PolarHBondContact O-N 3.3Å; I602-I607 WeakPolarHBondContact CA-O 3.35Å; I602-I607 HydrophobicContact CG1-CB 4.18Å; I602-I607 HydrophobicContact CG1-CG2 4.21Å; G605-I607 VanDerWaalsContact C-N 3.33Å; I607-D611 WeakPolarHBondContact CA-OD2 3.21Å; I607-R616 HydrophobicContact CG2-CG 4.07Å; I607-I619 HydrophobicContact CD1-CG2 3.89Å; I607-I619 HydrophobicContact CG1-CG2 4.13Å; I607-L620 HydrophobicContact CD1-CD2 3.94Å; I607-L620 HydrophobicContact CD1-CG 4.4Å; I607-F624 HydrophobicContact CD1-CD2 4.15Å; I607-F624 HydrophobicContact CD1-CE2 3.65Å; I607-F637 HydrophobicContact CG2-CE1 4.07Å; I607-F637 HydrophobicContact CG2-CZ 4.01Å
608	G	84.6	Confident	85.3	Confident	10 Å²	10	60.7 Å²	60.7	10%	0.103	30%	0.302	C	S	.	.			trans	-160.6	-177.9	-179.5	0	0	0	0	0	115.2	R610 D611 R616	G608-R610 VanDerWaalsContact C-N 3.29Å; G608-R610 PolarHBondContact O-N 2.95Å; G608-D611 PolarHBondContact N-OD2 3.34Å; G608-R616 WeakPolarHBondContact O-CD 3.3Å; G608-R616 PolarHBondContact O-NH1 3.17Å
609	P	80.6	Confident	85.1	Confident	56 Å²	56	62.6 Å²	62.6	36%	0.364	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-25.3	-179.6	31.7	-40.9	0	0	0	113	F637 T641 T642	P609-F637 HydrophobicContact CB-CD2 4.04Å; P609-T641 WeakPolarHBondContact CG-O 3.45Å; P609-T642 HydrophobicContact CG-CG2 4.25Å
610	R	77.6	Confident	85.1	Confident	179 Å²	179	62.4 Å²	62.4	68%	0.675	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-11.8	-175.3	-64.8	-174.8	-178.2	-173.9	0.1	113.6	G608	G608-R610 VanDerWaalsContact C-N 3.29Å; G608-R610 PolarHBondContact O-N 2.95Å
611	D	79.2	Confident	85.2	Confident	56 Å²	56	60 Å²	60	30%	0.299	30%	0.302	S	S	.	.	S	Bend	trans	-72.5	147.1	-178.3	-59.1	-31.6	0	0	0	111.5	I607 G608 P613 R616	I607-D611 WeakPolarHBondContact CA-OD2 3.21Å; G608-D611 PolarHBondContact N-OD2 3.34Å; D611-P613 WeakPolarHBondContact O-CD 3.41Å; D611-R616 HydrophobicContact CB-CB 4.2Å
612	D	80.5	Confident	85.4	Confident	81 Å²	81	65.3 Å²	65.3	43%	0.433	33%	0.326	S	S	.	.			trans	-56.1	126.7	172.3	176.3	-91.2	0	0	0	109.9	K614 I615 R616	D612-K614 PolarHBondContact O-N 3Å; D612-K614 VanDerWaalsContact O-N 3.08Å; D612-K614 WeakPolarHBondContact OD1-CA 3.37Å; D612-K614 WeakPolarHBondContact OD1-CB 3.3Å; D612-K614 PolarHBondContact OD1-N 3.4Å; D612-I615 HydrophobicContact CB-CB 4.32Å; D612-I615 HydrophobicContact CB-CD1 4.03Å; D612-I615 HydrophobicContact CB-CG1 4.09Å; D612-I615 PolarHBondContact O-N 2.91Å; D612-I615 VanDerWaalsContact O-N 3.11Å; D612-I615 PolarHBondContact OD1-N 3.14Å; D612-R616 WeakPolarHBondContact O-CB 3.27Å; D612-R616 PolarHBondContact O-N 3.06Å
613	P	82.4	Confident	85.5	Confident	62 Å²	62	70.2 Å²	70.2	40%	0.403	35%	0.349	S	S	.	.	H	α-helix	trans	-56.7	-29.5	-175.4	-29.1	35.4	0	0	0	114.6	D611 S617	D611-P613 WeakPolarHBondContact O-CD 3.41Å; P613-S617 WeakPolarHBondContact O-CB 3Å; P613-S617 PolarHBondContact O-N 3.18Å; P613-S617 PolarHBondContact O-OG 2.61Å
614	K	84.8	Confident	86	Confident	160 Å²	160	67.7 Å²	67.7	70%	0.696	33%	0.334	S	S	*	.	H	α-helix	trans	-74.4	-45.4	178.6	-60	175.6	-179.6	170.4	0	110.7	D612 S617 K618	D612-K614 PolarHBondContact O-N 3Å; D612-K614 VanDerWaalsContact O-N 3.08Å; D612-K614 WeakPolarHBondContact OD1-CA 3.37Å; D612-K614 WeakPolarHBondContact OD1-CB 3.3Å; D612-K614 PolarHBondContact OD1-N 3.4Å; K614-S617 WeakPolarHBondContact CA-OG 3.47Å; K614-S617 PolarHBondContact O-N 3.49Å; K614-S617 PolarHBondContact O-OG 2.95Å; K614-K618 PolarHBondContact O-N 3.01Å
615	I	85.8	Confident	86.6	Confident	105 Å²	105	65.8 Å²	65.8	54%	0.538	34%	0.341	S	S	.	.	H	α-helix	trans	-61.1	-49.3	176.3	-60.1	178.7	0	0	0	109.4	D612 S617 K618 I619	D612-I615 HydrophobicContact CB-CB 4.32Å; D612-I615 HydrophobicContact CB-CD1 4.03Å; D612-I615 HydrophobicContact CB-CG1 4.09Å; D612-I615 PolarHBondContact O-N 2.91Å; D612-I615 VanDerWaalsContact O-N 3.11Å; D612-I615 PolarHBondContact OD1-N 3.14Å; I615-S617 VanDerWaalsContact C-N 3.34Å; I615-S617 PolarHBondContact O-N 3.17Å; I615-K618 WeakPolarHBondContact O-CB 3.44Å; I615-K618 PolarHBondContact O-N 3.27Å; I615-I619 HydrophobicContact CG2-CD1 4.13Å; I615-I619 PolarHBondContact O-N 3.27Å; I615-I619 VanDerWaalsContact O-N 3.09Å
616	R	90	Very high	87.4	Confident	16 Å²	16	65.1 Å²	65.1	6%	0.06	33%	0.329	C	S	.	.	H	α-helix	trans	-56.4	-46.5	176.3	-170.7	176.7	70.9	-157.3	0.7	112.3	I607 G608 D611 D612 K618 I619 L620	I607-R616 HydrophobicContact CG2-CG 4.07Å; G608-R616 WeakPolarHBondContact O-CD 3.3Å; G608-R616 PolarHBondContact O-NH1 3.17Å; D611-R616 HydrophobicContact CB-CB 4.2Å; D612-R616 WeakPolarHBondContact O-CB 3.27Å; D612-R616 PolarHBondContact O-N 3.06Å; R616-K618 PolarHBondContact O-N 3.17Å; R616-I619 PolarHBondContact O-N 3.2Å; R616-L620 HydrophobicContact CG-CD1 4.02Å; R616-L620 WeakPolarHBondContact O-CB 3.23Å; R616-L620 WeakPolarHBondContact O-CG 3.5Å; R616-L620 PolarHBondContact O-N 3.1Å
617	S	89.8	Confident	87.9	Confident	7 Å²	7	63.6 Å²	63.6	5%	0.049	33%	0.33	C	S	.	.	H	α-helix	trans	-62.8	-30.5	178.1	71.5	0	0	0	0	113.4	P613 K614 I615 A621	P613-S617 WeakPolarHBondContact O-CB 3Å; P613-S617 PolarHBondContact O-N 3.18Å; P613-S617 PolarHBondContact O-OG 2.61Å; K614-S617 WeakPolarHBondContact CA-OG 3.47Å; K614-S617 PolarHBondContact O-N 3.49Å; K614-S617 PolarHBondContact O-OG 2.95Å; I615-S617 VanDerWaalsContact C-N 3.34Å; I615-S617 PolarHBondContact O-N 3.17Å; S617-A621 VanDerWaalsContact O-CB 3.27Å; S617-A621 WeakPolarHBondContact O-CB 3.25Å; S617-A621 PolarHBondContact O-N 3.47Å; S617-A621 VanDerWaalsContact O-N 3.14Å
618	K	90.5	Very high	87.9	Confident	108 Å²	108	68.4 Å²	68.4	47%	0.47	35%	0.351	S	S	.	.	H	α-helix	trans	-70.5	-49.1	177.1	-173.7	-174	173.5	-168.1	0	110.8	K614 I615 R616 A621 E622	K614-K618 PolarHBondContact O-N 3.01Å; I615-K618 WeakPolarHBondContact O-CB 3.44Å; I615-K618 PolarHBondContact O-N 3.27Å; R616-K618 PolarHBondContact O-N 3.17Å; K618-A621 PolarHBondContact O-N 3.22Å; K618-E622 VanDerWaalsContact CE-CD 3.4Å; K618-E622 WeakPolarHBondContact CE-OE1 3.4Å; K618-E622 WeakPolarHBondContact CE-OE2 3.3Å; K618-E622 HydrophobicContact CG-CG 4.4Å; K618-E622 VanDerWaalsContact CG-OE1 3.27Å; K618-E622 WeakPolarHBondContact CG-OE1 3.4Å; K618-E622 WeakPolarHBondContact O-CB 3.34Å; K618-E622 WeakPolarHBondContact O-CG 3.44Å; K618-E622 PolarHBondContact O-N 2.83Å
619	I	90	Very high	88	Confident	41 Å²	41	72.7 Å²	72.7	21%	0.21	37%	0.371	C	S	.	.	H	α-helix	trans	-59.6	-49.3	178.5	-62.3	170.1	0	0	0	110.2	I607 I615 R616 A621 E622 E623 F624	I607-I619 HydrophobicContact CD1-CG2 3.89Å; I607-I619 HydrophobicContact CG1-CG2 4.13Å; I615-I619 HydrophobicContact CG2-CD1 4.13Å; I615-I619 PolarHBondContact O-N 3.27Å; I615-I619 VanDerWaalsContact O-N 3.09Å; R616-I619 PolarHBondContact O-N 3.2Å; I619-A621 VanDerWaalsContact C-N 3.28Å; I619-A621 PolarHBondContact O-N 2.92Å; I619-E622 PolarHBondContact O-N 2.82Å; I619-E623 WeakPolarHBondContact O-CB 3.4Å; I619-E623 PolarHBondContact O-N 3.33Å; I619-F624 HydrophobicContact CG2-CE2 4.48Å
620	L	93.6	Very high	88.3	Confident	0 Å²	0	71.4 Å²	71.4	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-57.7	-40.3	177.9	-74.6	170.5	0	0	0	112.5	L598 I607 R616 F624 G625 W626 A631 I634 M646	L598-L620 HydrophobicContact CD1-CD2 3.58Å; L598-L620 HydrophobicContact CD2-CD2 4.16Å; I607-L620 HydrophobicContact CD1-CD2 3.94Å; I607-L620 HydrophobicContact CD1-CG 4.4Å; R616-L620 HydrophobicContact CG-CD1 4.02Å; R616-L620 WeakPolarHBondContact O-CB 3.23Å; R616-L620 WeakPolarHBondContact O-CG 3.5Å; R616-L620 PolarHBondContact O-N 3.1Å; L620-F624 HydrophobicContact CD2-CD2 4.33Å; L620-F624 CarbonylContact O-C 3.56Å; L620-F624 VanDerWaalsContact O-C 3.3Å; L620-F624 WeakPolarHBondContact O-CA 3.39Å; L620-F624 WeakPolarHBondContact O-CB 3.4Å; L620-F624 PolarHBondContact O-N 3.4Å; L620-F624 VanDerWaalsContact O-N 3.16Å; L620-G625 PolarHBondContact O-N 2.76Å; L620-G625 VanDerWaalsContact O-N 3.15Å; L620-W626 HydrophobicContact CB-CB 3.89Å; L620-W626 HydrophobicContact CB-CD2 4.47Å; L620-W626 HydrophobicContact CB-CG 3.97Å; L620-W626 HydrophobicContact CD2-CD2 4.47Å; L620-W626 HydrophobicContact CD2-CG 4.46Å; L620-W626 WeakPolarHBondContact O-CB 3.46Å; L620-W626 PolarHBondContact O-N 2.98Å; L620-A631 HydrophobicContact CB-CB 4.2Å; L620-A631 HydrophobicContact CD1-CB 3.82Å; L620-I634 HydrophobicContact CD1-CD1 3.53Å; L620-M646 HydrophobicContact CD2-CE 4.4Å
621	A	92.6	Very high	88.9	Confident	20 Å²	20	62.9 Å²	62.9	17%	0.165	33%	0.329	C	S	.	.	H	α-helix	trans	-73	-42.7	179.8	0	0	0	0	0	113.4	S617 K618 I619 G625 W626 K628	S617-A621 VanDerWaalsContact O-CB 3.27Å; S617-A621 WeakPolarHBondContact O-CB 3.25Å; S617-A621 PolarHBondContact O-N 3.47Å; S617-A621 VanDerWaalsContact O-N 3.14Å; K618-A621 PolarHBondContact O-N 3.22Å; I619-A621 VanDerWaalsContact C-N 3.28Å; I619-A621 PolarHBondContact O-N 2.92Å; A621-G625 WeakPolarHBondContact O-CA 3.36Å; A621-G625 PolarHBondContact O-N 3.32Å; A621-W626 WeakPolarHBondContact CA-O 3.26Å; A621-W626 WeakPolarHBondContact CB-O 3.16Å; A621-K628 HydrophobicContact CB-CD 4.41Å; A621-K628 HydrophobicContact CB-CG 3.56Å
622	E	92.9	Very high	89.3	Confident	118 Å²	118	65.2 Å²	65.2	55%	0.551	34%	0.337	S	S	*	.	H	α-helix	trans	-78.2	-37.2	-174	-71.9	173.6	-173.3	0	0	112.6	K618 I619	K618-E622 VanDerWaalsContact CE-CD 3.4Å; K618-E622 WeakPolarHBondContact CE-OE1 3.4Å; K618-E622 WeakPolarHBondContact CE-OE2 3.3Å; K618-E622 HydrophobicContact CG-CG 4.4Å; K618-E622 VanDerWaalsContact CG-OE1 3.27Å; K618-E622 WeakPolarHBondContact CG-OE1 3.4Å; K618-E622 WeakPolarHBondContact O-CB 3.34Å; K618-E622 WeakPolarHBondContact O-CG 3.44Å; K618-E622 PolarHBondContact O-N 2.83Å; I619-E622 PolarHBondContact O-N 2.82Å
623	E	93.1	Very high	89.9	Confident	109 Å²	109	65.2 Å²	65.2	51%	0.509	33%	0.333	S	S	.	.	H	α-helix	trans	-101.1	-32.2	-174	-62.9	-176.9	-148.2	0	0	113.2	R606 I619	R606-E623 IonicContact CZ-OE2 3.29Å; R606-E623 IonicContact NH1-OE2 3.34Å; R606-E623 IonicContact NH2-OE1 3.33Å; R606-E623 IonicContact NH2-OE2 3.09Å; R606-E623 PolarHBondContact NH2-OE2 3.43Å; I619-E623 WeakPolarHBondContact O-CB 3.4Å; I619-E623 PolarHBondContact O-N 3.33Å
624	F	94.4	Very high	90.5	Very high	29 Å²	29	62.8 Å²	62.8	13%	0.127	32%	0.316	C	S	.	.	H	α-helix	trans	-117.4	6.6	-174.5	-55.7	-79	0	0	0	113.1	E595 L598 A601 I607 I619 L620 W626	E595-F624 HydrophobicContact CB-CB 4.32Å; E595-F624 HydrophobicContact CB-CD1 4.39Å; L598-F624 HydrophobicContact CB-CD1 3.75Å; L598-F624 HydrophobicContact CB-CE1 3.85Å; L598-F624 HydrophobicContact CB-CG 4.29Å; L598-F624 HydrophobicContact CB-CZ 4.45Å; L598-F624 HydrophobicContact CD1-CD1 4.32Å; L598-F624 HydrophobicContact CD1-CD2 3.96Å; L598-F624 HydrophobicContact CD1-CE1 4.37Å; L598-F624 HydrophobicContact CD1-CE2 4.02Å; L598-F624 HydrophobicContact CD1-CG 4.1Å; L598-F624 HydrophobicContact CD1-CZ 4.22Å; A601-F624 HydrophobicContact CB-CE2 4.44Å; A601-F624 HydrophobicContact CB-CZ 3.89Å; I607-F624 HydrophobicContact CD1-CD2 4.15Å; I607-F624 HydrophobicContact CD1-CE2 3.65Å; I619-F624 HydrophobicContact CG2-CE2 4.48Å; L620-F624 HydrophobicContact CD2-CD2 4.33Å; L620-F624 CarbonylContact O-C 3.56Å; L620-F624 VanDerWaalsContact O-C 3.3Å; L620-F624 WeakPolarHBondContact O-CA 3.39Å; L620-F624 WeakPolarHBondContact O-CB 3.4Å; L620-F624 PolarHBondContact O-N 3.4Å; L620-F624 VanDerWaalsContact O-N 3.16Å; F624-W626 VanDerWaalsContact C-N 3.3Å; F624-W626 PolarHBondContact O-N 3.36Å
625	G	91.9	Very high	91	Very high	69 Å²	69	56.5 Å²	56.5	71%	0.711	29%	0.288	S	S	*	.			trans	69.6	19.9	173.8	0	0	0	0	0	115.5	L620 A621	L620-G625 PolarHBondContact O-N 2.76Å; L620-G625 VanDerWaalsContact O-N 3.15Å; A621-G625 WeakPolarHBondContact O-CA 3.36Å; A621-G625 PolarHBondContact O-N 3.32Å
626	W	93.2	Very high	91.4	Very high	15 Å²	15	52.1 Å²	52.1	6%	0.057	27%	0.267	C	S	.	.			trans	-71.4	149.4	177.8	-78.5	53.3	0	0	0	113	E595 L598 L620 A621 F624 L630 A631 I634 M646 V648	E595-W626 PolarHBondContact OE1-NE1 3.17Å; E595-W626 PolarHBondContact OE2-NE1 2.9Å; L598-W626 HydrophobicContact CD2-CZ2 4.16Å; L620-W626 HydrophobicContact CB-CB 3.89Å; L620-W626 HydrophobicContact CB-CD2 4.47Å; L620-W626 HydrophobicContact CB-CG 3.97Å; L620-W626 HydrophobicContact CD2-CD2 4.47Å; L620-W626 HydrophobicContact CD2-CG 4.46Å; L620-W626 WeakPolarHBondContact O-CB 3.46Å; L620-W626 PolarHBondContact O-N 2.98Å; A621-W626 WeakPolarHBondContact CA-O 3.26Å; A621-W626 WeakPolarHBondContact CB-O 3.16Å; F624-W626 VanDerWaalsContact C-N 3.3Å; F624-W626 PolarHBondContact O-N 3.36Å; W626-L630 HydrophobicContact CE3-CD2 4.44Å; W626-L630 HydrophobicContact CE3-CG 4.28Å; W626-L630 HydrophobicContact CZ3-CG 4.31Å; W626-A631 HydrophobicContact CE3-CB 4.15Å; W626-I634 HydrophobicContact CH2-CD1 4.46Å; W626-I634 HydrophobicContact CZ3-CD1 4.06Å; W626-I634 HydrophobicContact CZ3-CG1 4.04Å; W626-M646 HydrophobicContact CH2-SD 3.59Å; W626-M646 VanDerWaalsContact CH2-SD 3.59Å; W626-M646 HydrophobicContact CZ2-SD 3.85Å; W626-M646 HydrophobicContact CZ3-SD 4.47Å; W626-V648 HydrophobicContact CH2-CG2 3.97Å; W626-V648 HydrophobicContact CZ3-CG2 4.11Å
627	D	91.1	Very high	91.6	Very high	94 Å²	94	51.4 Å²	51.4	50%	0.503	27%	0.265	S	S	.	.			trans	-68.1	133.7	163.7	176.8	-94.7	0	0	0	110.6	D629 L630 A631	D627-D629 VanDerWaalsContact C-N 3.29Å; D627-D629 PolarHBondContact O-N 3.21Å; D627-D629 WeakPolarHBondContact OD1-CA 3.38Å; D627-D629 WeakPolarHBondContact OD1-CB 3.3Å; D627-D629 PolarHBondContact OD1-N 3.08Å; D627-L630 HydrophobicContact CB-CB 3.86Å; D627-L630 PolarHBondContact O-N 3.49Å; D627-L630 PolarHBondContact OD1-N 3.44Å; D627-A631 WeakPolarHBondContact O-CB 3.42Å; D627-A631 PolarHBondContact O-N 2.82Å
628	K	87.4	Confident	91.7	Very high	102 Å²	102	51.1 Å²	51.1	44%	0.443	26%	0.262	S	S	.	.	H	α-helix	trans	-64.8	-32.7	-175.4	-75.2	-175.4	177.2	179.1	0	113	A621 K632	A621-K628 HydrophobicContact CB-CD 4.41Å; A621-K628 HydrophobicContact CB-CG 3.56Å; K628-K632 WeakPolarHBondContact O-CE 3.42Å; K628-K632 WeakPolarHBondContact O-CG 3.25Å
629	D	87	Confident	91.7	Very high	99 Å²	99	46.4 Å²	46.4	53%	0.529	24%	0.243	S	C	.	.	H	α-helix	trans	-81.1	-33.6	179.3	-68.5	-33.5	0	0	0	110.9	D627 K632	D627-D629 VanDerWaalsContact C-N 3.29Å; D627-D629 PolarHBondContact O-N 3.21Å; D627-D629 WeakPolarHBondContact OD1-CA 3.38Å; D627-D629 WeakPolarHBondContact OD1-CB 3.3Å; D627-D629 PolarHBondContact OD1-N 3.08Å; D629-K632 PolarHBondContact O-N 2.79Å; D629-K632 IonicContact OD1-NZ 3.69Å; D629-K632 PolarHBondContact OD1-NZ 3.4Å
630	L	87.5	Confident	91.5	Very high	30 Å²	30	50.4 Å²	50.4	16%	0.157	26%	0.261	C	S	.	.	H	α-helix	trans	-62.6	-44.4	170.3	-176	57	0	0	0	112.4	W626 D627 K632 K633 V648 M650	W626-L630 HydrophobicContact CE3-CD2 4.44Å; W626-L630 HydrophobicContact CE3-CG 4.28Å; W626-L630 HydrophobicContact CZ3-CG 4.31Å; D627-L630 HydrophobicContact CB-CB 3.86Å; D627-L630 PolarHBondContact O-N 3.49Å; D627-L630 PolarHBondContact OD1-N 3.44Å; L630-K632 PolarHBondContact O-N 3.03Å; L630-K633 WeakPolarHBondContact O-CA 3.38Å; L630-K633 WeakPolarHBondContact O-CB 3.44Å; L630-K633 PolarHBondContact O-N 3.32Å; L630-V648 HydrophobicContact CD1-CG1 3.38Å; L630-V648 HydrophobicContact CG-CG1 4.05Å; L630-M650 HydrophobicContact CD1-CE 4.43Å; L630-M650 HydrophobicContact CD1-CG 4.42Å; L630-M650 HydrophobicContact CD1-SD 3.15Å; L630-M650 WeakPolarHBondContact CD1-SD 3.41Å; L630-M650 HydrophobicContact CD2-SD 4.17Å; L630-M650 HydrophobicContact CG-SD 4.29Å
631	A	89.5	Confident	91.1	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-61.7	-25.8	179.2	0	0	0	0	0	113.3	L620 W626 D627 K633 I634	L620-A631 HydrophobicContact CB-CB 4.2Å; L620-A631 HydrophobicContact CD1-CB 3.82Å; W626-A631 HydrophobicContact CE3-CB 4.15Å; D627-A631 WeakPolarHBondContact O-CB 3.42Å; D627-A631 PolarHBondContact O-N 2.82Å; A631-K633 VanDerWaalsContact C-N 3.28Å; A631-I634 WeakPolarHBondContact O-CD1 3.34Å; A631-I634 WeakPolarHBondContact O-CG1 3.38Å
632	K	88.4	Confident	90.7	Very high	105 Å²	105	57.2 Å²	57.2	46%	0.457	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-17.5	172.9	-65.9	168.4	-162.4	157.1	0	113	K628 D629 L630	K628-K632 WeakPolarHBondContact O-CE 3.42Å; K628-K632 WeakPolarHBondContact O-CG 3.25Å; D629-K632 PolarHBondContact O-N 2.79Å; D629-K632 IonicContact OD1-NZ 3.69Å; D629-K632 PolarHBondContact OD1-NZ 3.4Å; L630-K632 PolarHBondContact O-N 3.03Å
633	K	92.3	Very high	90.5	Very high	80 Å²	80	52 Å²	52	35%	0.348	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	9	179.9	-66.7	-169.2	178.3	-165.1	0	114	L630 A631 W635 V648 D649	L630-K633 WeakPolarHBondContact O-CA 3.38Å; L630-K633 WeakPolarHBondContact O-CB 3.44Å; L630-K633 PolarHBondContact O-N 3.32Å; A631-K633 VanDerWaalsContact C-N 3.28Å; K633-W635 PolarHBondContact O-N 3.15Å; K633-W635 VanDerWaalsContact O-N 3.17Å; K633-V648 HydrophobicContact CB-CG1 4.37Å; K633-D649 HydrophobicContact CB-CB 4.21Å; K633-D649 HydrophobicContact CD-CB 4.45Å; K633-D649 WeakPolarHBondContact CD-O 3.46Å; K633-D649 PolarHBondContact O-N 3.18Å; K633-D649 VanDerWaalsContact O-N 3.07Å
634	I	94.6	Very high	90.5	Very high	11 Å²	11	47.4 Å²	47.4	6%	0.056	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	116.1	168.6	-60.2	168	0	0	0	108.2	L620 W626 A631 F637 M646 V648	L620-I634 HydrophobicContact CD1-CD1 3.53Å; W626-I634 HydrophobicContact CH2-CD1 4.46Å; W626-I634 HydrophobicContact CZ3-CD1 4.06Å; W626-I634 HydrophobicContact CZ3-CG1 4.04Å; A631-I634 WeakPolarHBondContact O-CD1 3.34Å; A631-I634 WeakPolarHBondContact O-CG1 3.38Å; I634-F637 HydrophobicContact CG2-CD2 4.37Å; I634-F637 HydrophobicContact CG2-CE2 3.92Å; I634-F637 HydrophobicContact CG2-CZ 4.36Å; I634-M646 HydrophobicContact CD1-CE 4.23Å; I634-M646 HydrophobicContact CD1-SD 3.85Å; I634-M646 HydrophobicContact CG1-SD 4.34Å; I634-M646 HydrophobicContact CG2-CG 4.27Å; I634-V648 HydrophobicContact CG1-CG2 4.09Å
635	W	94.6	Very high	90.7	Very high	29 Å²	29	46 Å²	46	11%	0.11	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	-42.5	180	-79.8	4.8	0	0	0	112.3	K633 V647 D649 L657 K661 V664 V665 V689	K633-W635 PolarHBondContact O-N 3.15Å; K633-W635 VanDerWaalsContact O-N 3.17Å; W635-V647 HydrophobicContact CB-CG1 4.04Å; W635-V647 HydrophobicContact CE3-CG2 4.48Å; W635-V647 PolarHBondContact N-O 2.8Å; W635-D649 HydrophobicContact CD2-CB 4.37Å; W635-D649 HydrophobicContact CZ2-CB 3.72Å; W635-D649 VanDerWaalsContact NE1-CB 3.32Å; W635-L657 HydrophobicContact CH2-CD1 3.8Å; W635-L657 HydrophobicContact CH2-CG 4.12Å; W635-L657 HydrophobicContact CZ2-CD1 4.07Å; W635-L657 HydrophobicContact CZ2-CD2 4.13Å; W635-L657 HydrophobicContact CZ2-CG 3.89Å; W635-K661 HydrophobicContact CD2-CD 4.32Å; W635-K661 HydrophobicContact CD2-CG 3.78Å; W635-K661 HydrophobicContact CE3-CG 4.09Å; W635-K661 HydrophobicContact CG-CD 4.21Å; W635-K661 HydrophobicContact CG-CG 4.04Å; W635-V664 HydrophobicContact CE3-CB 4.31Å; W635-V664 HydrophobicContact CE3-CG1 4.17Å; W635-V664 HydrophobicContact CZ3-CB 3.83Å; W635-V664 HydrophobicContact CZ3-CG1 3.82Å; W635-V664 HydrophobicContact CZ3-CG2 4.14Å; W635-V665 HydrophobicContact CB-CG2 4.06Å; W635-V689 HydrophobicContact CE3-CG2 4.43Å; W635-V689 HydrophobicContact CH2-CG2 4.46Å; W635-V689 HydrophobicContact CZ3-CG2 4Å
636	A	94.4	Very high	90.9	Very high	12 Å²	12	42.8 Å²	42.8	10%	0.099	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	161.1	179.9	0	0	0	0	0	112.3	M646 V647 V665 F668	A636-M646 WeakPolarHBondContact O-CA 3.23Å; A636-V647 HydrophobicContact CB-CG1 4Å; A636-V647 PolarHBondContact O-N 2.8Å; A636-V647 VanDerWaalsContact O-N 3.08Å; A636-V665 HydrophobicContact CB-CB 4.34Å; A636-V665 HydrophobicContact CB-CG1 3.59Å; A636-V665 HydrophobicContact CB-CG2 3.85Å; A636-F668 HydrophobicContact CB-CD1 4.37Å; A636-F668 HydrophobicContact CB-CE1 4.39Å
637	F	95.1	Very high	91.1	Very high	2 Å²	2	42 Å²	42	1%	0.009	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	155.7	166.7	-66.6	-105.4	0	0	0	109.5	I602 I607 P609 I634 T641 N645 M646 Q669	I602-F637 HydrophobicContact CD1-CD1 4.18Å; I602-F637 HydrophobicContact CD1-CE1 3.96Å; I602-F637 HydrophobicContact CG1-CD1 4.43Å; I602-F637 HydrophobicContact CG1-CE1 4.05Å; I602-F637 HydrophobicContact CG2-CD1 4.09Å; I602-F637 HydrophobicContact CG2-CE1 4.43Å; I607-F637 HydrophobicContact CG2-CE1 4.07Å; I607-F637 HydrophobicContact CG2-CZ 4.01Å; P609-F637 HydrophobicContact CB-CD2 4.04Å; I634-F637 HydrophobicContact CG2-CD2 4.37Å; I634-F637 HydrophobicContact CG2-CE2 3.92Å; I634-F637 HydrophobicContact CG2-CZ 4.36Å; F637-T641 WeakPolarHBondContact CB-O 3.43Å; F637-T641 CarbonylContact O-C 3.55Å; F637-T641 VanDerWaalsContact O-CA 3.23Å; F637-T641 WeakPolarHBondContact O-CA 3.23Å; F637-N645 CarbonylContact C-O 3.55Å; F637-N645 WeakPolarHBondContact CA-O 3.21Å; F637-M646 HydrophobicContact CD1-CE 4.16Å; F637-M646 HydrophobicContact CD1-CG 4.08Å; F637-M646 HydrophobicContact CE1-CE 3.28Å; F637-M646 HydrophobicContact CE1-CG 4.03Å; F637-M646 HydrophobicContact CE1-SD 4.41Å; F637-M646 HydrophobicContact CZ-CE 3.74Å; F637-Q669 PolarHBondContact O-NE2 3.32Å
638	G	92.4	Very high	91.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.192	C	C	.	.	S	Bend	trans	-162.7	159.7	-175.9	0	0	0	0	0	113.8	G643 N645	G638-G643 PolarHBondContact N-O 2.72Å; G638-G643 CarbonylContact O-C 3.43Å; G638-G643 VanDerWaalsContact O-CA 3.25Å; G638-G643 WeakPolarHBondContact O-CA 3.49Å; G638-N645 PolarHBondContact N-O 2.9Å; G638-N645 VanDerWaalsContact O-CB 3.23Å; G638-N645 WeakPolarHBondContact O-CB 3.43Å; G638-N645 PolarHBondContact O-N 3.34Å; G638-N645 VanDerWaalsContact O-N 3.14Å; G638-N645 PolarHBondContact O-ND2 2.86Å
639	P	90.4	Very high	91.8	Very high	10 Å²	10	33.6 Å²	33.6	7%	0.065	18%	0.175	C	C	.	.	S	Bend	cis	-72	172.3	-2.9	30.5	-35.7	0	0	0	113.2	T641 T642 G643 S672 K673 N681	P639-T641 PolarHBondContact O-N 3.41Å; P639-T641 VanDerWaalsContact O-N 3.12Å; P639-T642 PolarHBondContact O-N 3.28Å; P639-G643 WeakPolarHBondContact O-CA 3.43Å; P639-G643 PolarHBondContact O-N 3.41Å; P639-S672 VanDerWaalsContact CA-OG 3.3Å; P639-S672 WeakPolarHBondContact CA-OG 3.44Å; P639-K673 HydrophobicContact CB-CB 3.82Å; P639-K673 HydrophobicContact CB-CG 4.45Å; P639-N681 HydrophobicContact CG-CB 4.43Å
640	E	84.2	Confident	92.2	Very high	124 Å²	124	32.1 Å²	32.1	58%	0.579	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.3	29.9	174.4	-55.4	-172.8	169.2	0	0	114.7	T642 K673	E640-T642 PolarHBondContact O-N 2.75Å; E640-K673 IonicContact OE1-NZ 2.63Å; E640-K673 PolarHBondContact OE1-NZ 3.31Å
641	T	85.2	Confident	92.5	Very high	79 Å²	79	31 Å²	31	49%	0.485	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.4	-8.3	-179.9	73.5	0	0	0	0	116.4	P609 F637 P639	P609-T641 WeakPolarHBondContact CG-O 3.45Å; F637-T641 WeakPolarHBondContact CB-O 3.43Å; F637-T641 CarbonylContact O-C 3.55Å; F637-T641 VanDerWaalsContact O-CA 3.23Å; F637-T641 WeakPolarHBondContact O-CA 3.23Å; P639-T641 PolarHBondContact O-N 3.41Å; P639-T641 VanDerWaalsContact O-N 3.12Å
642	T	85	Confident	92.5	Very high	85 Å²	85	40 Å²	40	52%	0.521	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124	-10.2	-177	55	0	0	0	0	113.7	P609 P639 E640	P609-T642 HydrophobicContact CG-CG2 4.25Å; P639-T642 PolarHBondContact O-N 3.28Å; E640-T642 PolarHBondContact O-N 2.75Å
643	G	88.5	Confident	92.4	Very high	9 Å²	9	39 Å²	39	9%	0.093	22%	0.22	C	C	.	.	S	Bend	trans	-66.9	157.9	-176.8	0	0	0	0	0	113.7	G638 P639 N645	G638-G643 PolarHBondContact N-O 2.72Å; G638-G643 CarbonylContact O-C 3.43Å; G638-G643 VanDerWaalsContact O-CA 3.25Å; G638-G643 WeakPolarHBondContact O-CA 3.49Å; P639-G643 WeakPolarHBondContact O-CA 3.43Å; P639-G643 PolarHBondContact O-N 3.41Å; G643-N645 PolarHBondContact O-N 3.08Å
644	P	93.8	Very high	92.2	Very high	12 Å²	12	37 Å²	37	8%	0.078	21%	0.214	C	C	.	.	S	Bend	trans	-78.4	52.8	-174.5	35.5	-40.5	0	0	0	112.6	A599 I602 D603 R683 G684	A599-P644 HydrophobicContact CB-CB 4Å; I602-P644 HydrophobicContact CB-CB 4.2Å; I602-P644 HydrophobicContact CD1-CB 4.47Å; I602-P644 HydrophobicContact CG2-CB 4.22Å; D603-P644 WeakPolarHBondContact OD1-CD 3.16Å; D603-P644 WeakPolarHBondContact OD1-CG 3.46Å; P644-R683 HydrophobicContact CG-CB 4.29Å; P644-R683 HydrophobicContact CG-CG 3.76Å; P644-G684 WeakPolarHBondContact O-CA 3.32Å; P644-G684 PolarHBondContact O-N 3.41Å
645	N	97.7	Very high	92	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	154.4	168.5	-53.8	-79.4	0	0	0	108.7	M594 F637 G638 G643 F668 M682 R683 G684 I685	M594-N645 VanDerWaalsContact CE-C 3.5Å; M594-N645 VanDerWaalsContact CE-CA 3.45Å; F637-N645 CarbonylContact C-O 3.55Å; F637-N645 WeakPolarHBondContact CA-O 3.21Å; G638-N645 PolarHBondContact N-O 2.9Å; G638-N645 VanDerWaalsContact O-CB 3.23Å; G638-N645 WeakPolarHBondContact O-CB 3.43Å; G638-N645 PolarHBondContact O-N 3.34Å; G638-N645 VanDerWaalsContact O-N 3.14Å; G638-N645 PolarHBondContact O-ND2 2.86Å; G643-N645 PolarHBondContact O-N 3.08Å; N645-F668 HydrophobicContact CB-CE2 4.13Å; N645-F668 HydrophobicContact CB-CZ 3.87Å; N645-M682 VanDerWaalsContact ND2-C 3.28Å; N645-M682 PolarHBondContact ND2-O 3.16Å; N645-R683 VanDerWaalsContact OD1-CA 3.25Å; N645-R683 WeakPolarHBondContact OD1-CA 3.39Å; N645-R683 PolarHBondContact OD1-N 3.41Å; N645-G684 PolarHBondContact OD1-N 2.78Å; N645-I685 CarbonylContact C-O 3.59Å; N645-I685 VanDerWaalsContact CA-O 3.26Å; N645-I685 WeakPolarHBondContact CA-O 3.25Å; N645-I685 WeakPolarHBondContact CB-O 3.3Å; N645-I685 PolarHBondContact OD1-N 3.26Å
646	M	97.1	Very high	91.8	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	147.8	-179.6	-72.7	172.6	-172.2	0	0	111.3	M594 L598 I602 L620 W626 I634 A636 F637 V648 I685 F687	M594-M646 HydrophobicContact CE-CB 3.86Å; M594-M646 HydrophobicContact CE-CE 4.21Å; M594-M646 HydrophobicContact CE-CG 3.5Å; M594-M646 VanDerWaalsContact CE-CG 3.5Å; M594-M646 HydrophobicContact CE-SD 3.91Å; L598-M646 HydrophobicContact CD1-CE 4.43Å; L598-M646 HydrophobicContact CD2-CE 4.24Å; I602-M646 HydrophobicContact CD1-CE 3.69Å; I602-M646 HydrophobicContact CG1-CE 4.48Å; L620-M646 HydrophobicContact CD2-CE 4.4Å; W626-M646 HydrophobicContact CH2-SD 3.59Å; W626-M646 VanDerWaalsContact CH2-SD 3.59Å; W626-M646 HydrophobicContact CZ2-SD 3.85Å; W626-M646 HydrophobicContact CZ3-SD 4.47Å; I634-M646 HydrophobicContact CD1-CE 4.23Å; I634-M646 HydrophobicContact CD1-SD 3.85Å; I634-M646 HydrophobicContact CG1-SD 4.34Å; I634-M646 HydrophobicContact CG2-CG 4.27Å; A636-M646 WeakPolarHBondContact O-CA 3.23Å; F637-M646 HydrophobicContact CD1-CE 4.16Å; F637-M646 HydrophobicContact CD1-CG 4.08Å; F637-M646 HydrophobicContact CE1-CE 3.28Å; F637-M646 HydrophobicContact CE1-CG 4.03Å; F637-M646 HydrophobicContact CE1-SD 4.41Å; F637-M646 HydrophobicContact CZ-CE 3.74Å; M646-V648 HydrophobicContact CB-CG2 4.18Å; M646-I685 PolarHBondContact N-O 3.15Å; M646-F687 PolarHBondContact O-N 2.74Å
647	V	97.7	Very high	91.7	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	127.5	161.2	57.5	0	0	0	0	109.5	M589 W635 A636 V664 F668 F687 V689	M589-V647 HydrophobicContact CE-CG2 4.16Å; W635-V647 HydrophobicContact CB-CG1 4.04Å; W635-V647 HydrophobicContact CE3-CG2 4.48Å; W635-V647 PolarHBondContact N-O 2.8Å; A636-V647 HydrophobicContact CB-CG1 4Å; A636-V647 PolarHBondContact O-N 2.8Å; A636-V647 VanDerWaalsContact O-N 3.08Å; V647-V664 HydrophobicContact CG2-CG1 4.48Å; V647-F668 HydrophobicContact CB-CD1 4.16Å; V647-F668 HydrophobicContact CB-CD2 4.17Å; V647-F668 HydrophobicContact CB-CE1 4.38Å; V647-F668 HydrophobicContact CB-CE2 4.43Å; V647-F668 HydrophobicContact CB-CG 4.03Å; V647-F668 HydrophobicContact CG1-CB 4.3Å; V647-F668 HydrophobicContact CG1-CD1 3.54Å; V647-F668 HydrophobicContact CG1-CD2 4.44Å; V647-F668 HydrophobicContact CG1-CE1 3.89Å; V647-F668 HydrophobicContact CG1-CG 3.84Å; V647-F668 HydrophobicContact CG1-CZ 4.49Å; V647-F687 CarbonylContact C-O 3.55Å; V647-F687 WeakPolarHBondContact CA-O 3.17Å; V647-V689 HydrophobicContact CG2-CG2 3.87Å
648	V	96.7	Very high	91.5	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	134.1	-169.8	-169.7	0	0	0	0	110.4	W626 L630 K633 I634 M646 F687 V689	W626-V648 HydrophobicContact CH2-CG2 3.97Å; W626-V648 HydrophobicContact CZ3-CG2 4.11Å; L630-V648 HydrophobicContact CD1-CG1 3.38Å; L630-V648 HydrophobicContact CG-CG1 4.05Å; K633-V648 HydrophobicContact CB-CG1 4.37Å; I634-V648 HydrophobicContact CG1-CG2 4.09Å; M646-V648 HydrophobicContact CB-CG2 4.18Å; V648-F687 PolarHBondContact N-O 3.19Å; V648-V689 PolarHBondContact O-N 3.49Å
649	D	96.1	Very high	91.4	Very high	18 Å²	18	57.2 Å²	57.2	10%	0.096	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	117	175.3	167.5	29.9	0	0	0	112.2	K633 W635 C651	K633-D649 HydrophobicContact CB-CB 4.21Å; K633-D649 HydrophobicContact CD-CB 4.45Å; K633-D649 WeakPolarHBondContact CD-O 3.46Å; K633-D649 PolarHBondContact O-N 3.18Å; K633-D649 VanDerWaalsContact O-N 3.07Å; W635-D649 HydrophobicContact CD2-CB 4.37Å; W635-D649 HydrophobicContact CZ2-CB 3.72Å; W635-D649 VanDerWaalsContact NE1-CB 3.32Å; D649-C651 WeakPolarHBondContact OD1-CB 3.3Å; D649-C651 PolarHBondContact OD1-N 2.94Å
650	M	94.9	Very high	91.6	Very high	68 Å²	68	56.7 Å²	56.7	34%	0.335	31%	0.306	S	S	.	.			trans	-108.9	1.3	174.9	-68.5	-65	-90.9	0	0	113	L630 E688 V689	L630-M650 HydrophobicContact CD1-CE 4.43Å; L630-M650 HydrophobicContact CD1-CG 4.42Å; L630-M650 HydrophobicContact CD1-SD 3.15Å; L630-M650 WeakPolarHBondContact CD1-SD 3.41Å; L630-M650 HydrophobicContact CD2-SD 4.17Å; L630-M650 HydrophobicContact CG-SD 4.29Å; M650-E688 HydrophobicContact CG-CB 3.85Å; M650-E688 HydrophobicContact CG-CG 4.03Å; M650-V689 CarbonylContact C-O 3.49Å; M650-V689 WeakPolarHBondContact CA-O 3.34Å; M650-V689 WeakPolarHBondContact CB-O 3.48Å; M650-V689 PolarHBondContact N-O 2.85Å
651	C	93.7	Very high	92.2	Very high	6 Å²	6	54.2 Å²	54.2	4%	0.041	29%	0.293	C	S	.	.			trans	-67.3	151.9	-177	-65.6	0	0	0	0	111.8	D649 V654 L657 V689 D691	D649-C651 WeakPolarHBondContact OD1-CB 3.3Å; D649-C651 PolarHBondContact OD1-N 2.94Å; C651-V654 HydrophobicContact CB-CB 4.49Å; C651-V654 HydrophobicContact CB-CG2 3.84Å; C651-L657 HydrophobicContact CB-CD2 3.78Å; C651-V689 PolarHBondContact N-O 2.87Å; C651-V689 PolarHBondContact SG-O 3.01Å; C651-D691 VanDerWaalsContact SG-CA 3.58Å
652	K	89.9	Confident	92.6	Very high	189 Å²	189	56.4 Å²	56.4	82%	0.822	30%	0.302	S	S	*	.			trans	-129.9	118.5	175.9	-65.8	-178.1	-177.2	176.3	0	110.6	V654	K652-V654 VanDerWaalsContact C-N 3.34Å; K652-V654 PolarHBondContact O-N 2.87Å
653	G	86.6	Confident	93.1	Very high	86 Å²	86	53.3 Å²	53.3	89%	0.887	28%	0.284	S	S	*	.	S	Bend	trans	71.7	21.6	172.2	0	0	0	0	0	115.4
654	V	88.8	Confident	93.6	Very high	36 Å²	36	53 Å²	53	22%	0.218	28%	0.28	C	S	.	.			trans	-84.6	122.1	-177.7	-174.6	0	0	0	0	111.4	C651 K652 L657 V692	C651-V654 HydrophobicContact CB-CB 4.49Å; C651-V654 HydrophobicContact CB-CG2 3.84Å; K652-V654 VanDerWaalsContact C-N 3.34Å; K652-V654 PolarHBondContact O-N 2.87Å; V654-L657 HydrophobicContact CB-CB 4.44Å; V654-V692 HydrophobicContact CB-CG2 4.19Å; V654-V692 HydrophobicContact CG1-CG2 3.25Å; V654-V692 HydrophobicContact CG2-CG2 4.39Å
655	Q	88.6	Confident	93.7	Very high	137 Å²	137	53.7 Å²	53.7	64%	0.64	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	145.7	173.7	-65.7	-178.2	1.9	0	0	110.8	L657	Q655-L657 PolarHBondContact O-N 3.12Å; Q655-L657 VanDerWaalsContact O-N 3.16Å
656	Y	90.8	Very high	93.6	Very high	86 Å²	86	55.6 Å²	55.6	34%	0.337	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.6	7.9	176	-38	-66.1	0	0	0	116.6	N658 E659	Y656-N658 VanDerWaalsContact C-N 3.3Å; Y656-N658 PolarHBondContact O-N 2.8Å; Y656-E659 WeakPolarHBondContact CD1-OE1 3.49Å; Y656-E659 WeakPolarHBondContact O-CB 3.32Å; Y656-E659 PolarHBondContact O-N 2.86Å
657	L	92.1	Very high	93.6	Very high	16 Å²	16	55.6 Å²	55.6	8%	0.084	30%	0.3	C	S	.	.	H	α-helix	trans	-55.6	-42	-178.2	-174.8	65.6	0	0	0	113.1	W635 C651 V654 Q655 E659 I660 K661 V692	W635-L657 HydrophobicContact CH2-CD1 3.8Å; W635-L657 HydrophobicContact CH2-CG 4.12Å; W635-L657 HydrophobicContact CZ2-CD1 4.07Å; W635-L657 HydrophobicContact CZ2-CD2 4.13Å; W635-L657 HydrophobicContact CZ2-CG 3.89Å; C651-L657 HydrophobicContact CB-CD2 3.78Å; V654-L657 HydrophobicContact CB-CB 4.44Å; Q655-L657 PolarHBondContact O-N 3.12Å; Q655-L657 VanDerWaalsContact O-N 3.16Å; L657-E659 PolarHBondContact O-N 3.36Å; L657-I660 HydrophobicContact CD1-CD1 4.23Å; L657-I660 HydrophobicContact CD1-CG1 4.4Å; L657-I660 WeakPolarHBondContact O-CG1 3.29Å; L657-I660 PolarHBondContact O-N 2.78Å; L657-K661 PolarHBondContact O-N 3.22Å; L657-V692 HydrophobicContact CD1-CG1 4.24Å; L657-V692 HydrophobicContact CD1-CG2 3.69Å
658	N	90.7	Very high	93.6	Very high	133 Å²	133	55.6 Å²	55.6	71%	0.711	30%	0.3	S	S	*	.	H	α-helix	trans	-63.4	-26.1	179.5	-72.8	-30.2	0	0	0	113.2	Y656 I660	Y656-N658 VanDerWaalsContact C-N 3.3Å; Y656-N658 PolarHBondContact O-N 2.8Å; N658-I660 VanDerWaalsContact C-N 3.3Å; N658-I660 PolarHBondContact O-N 3.04Å
659	E	91.9	Very high	93.6	Very high	107 Å²	107	57.2 Å²	57.2	50%	0.5	31%	0.307	S	S	.	.	H	α-helix	trans	-75.3	-21.5	-178.9	-63.2	-179.3	-131.8	0	0	112.5	Y656 L657 R701	Y656-E659 WeakPolarHBondContact CD1-OE1 3.49Å; Y656-E659 WeakPolarHBondContact O-CB 3.32Å; Y656-E659 PolarHBondContact O-N 2.86Å; L657-E659 PolarHBondContact O-N 3.36Å; E659-R701 VanDerWaalsContact CB-NH1 3.26Å; E659-R701 IonicContact OE1-NH1 2.75Å; E659-R701 IonicContact OE1-NH2 2.9Å; E659-R701 PolarHBondContact OE1-NH2 3.14Å; E659-R701 IonicContact OE2-CZ 2.79Å; E659-R701 IonicContact OE2-NH1 3.27Å; E659-R701 PolarHBondContact OE2-NH1 2.8Å; E659-R701 IonicContact OE2-NH2 2.75Å; E659-R701 PolarHBondContact OE2-NH2 2.85Å
660	I	94.4	Very high	93.6	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-97.5	-12.3	177.7	65	152.4	0	0	0	113.1	L587 L657 N658 D662 S663 V664 V692 L694 R701 V706	L587-I660 HydrophobicContact CD2-CD1 3.86Å; L657-I660 HydrophobicContact CD1-CD1 4.23Å; L657-I660 HydrophobicContact CD1-CG1 4.4Å; L657-I660 WeakPolarHBondContact O-CG1 3.29Å; L657-I660 PolarHBondContact O-N 2.78Å; N658-I660 VanDerWaalsContact C-N 3.3Å; N658-I660 PolarHBondContact O-N 3.04Å; I660-D662 PolarHBondContact O-N 2.77Å; I660-S663 WeakPolarHBondContact O-CB 3.41Å; I660-S663 PolarHBondContact O-N 3.14Å; I660-V664 HydrophobicContact CD1-CG2 3.94Å; I660-V664 HydrophobicContact CG1-CG2 4.42Å; I660-V664 PolarHBondContact O-N 2.74Å; I660-V692 HydrophobicContact CD1-CG1 4.19Å; I660-L694 HydrophobicContact CD1-CD1 4.06Å; I660-L694 HydrophobicContact CD1-CD2 4.08Å; I660-L694 HydrophobicContact CG1-CD1 4.12Å; I660-L694 HydrophobicContact CG2-CD1 4.07Å; I660-L694 HydrophobicContact CG2-CD2 4Å; I660-R701 HydrophobicContact CG2-CB 4.23Å; I660-V706 HydrophobicContact CB-CG1 4.1Å; I660-V706 HydrophobicContact CB-CG2 4.3Å; I660-V706 HydrophobicContact CG2-CG2 3.91Å
661	K	95	Very high	93.7	Very high	71 Å²	71	58.5 Å²	58.5	31%	0.309	31%	0.308	S	S	.	.	H	α-helix	trans	-49.3	-54.8	-173.8	177.8	-178.8	175.2	-172.9	0	112.2	W635 L657 S663 V664 V665	W635-K661 HydrophobicContact CD2-CD 4.32Å; W635-K661 HydrophobicContact CD2-CG 3.78Å; W635-K661 HydrophobicContact CE3-CG 4.09Å; W635-K661 HydrophobicContact CG-CD 4.21Å; W635-K661 HydrophobicContact CG-CG 4.04Å; L657-K661 PolarHBondContact O-N 3.22Å; K661-S663 PolarHBondContact O-N 3.04Å; K661-V664 PolarHBondContact O-N 2.84Å; K661-V664 VanDerWaalsContact O-N 3.15Å; K661-V665 HydrophobicContact CG-CG2 4.41Å; K661-V665 WeakPolarHBondContact O-CG2 3.43Å; K661-V665 PolarHBondContact O-N 3.05Å
662	D	93.6	Very high	93.8	Very high	125 Å²	125	58.2 Å²	58.2	67%	0.668	31%	0.306	S	S	*	.	H	α-helix	trans	-63.4	-32.9	-176.9	-64.8	-20.4	0	0	0	112.3	I660 A666	I660-D662 PolarHBondContact O-N 2.77Å; D662-A666 WeakPolarHBondContact O-CB 3.5Å; D662-A666 PolarHBondContact O-N 3.31Å
663	S	96.7	Very high	93.9	Very high	21 Å²	21	53.3 Å²	53.3	15%	0.147	28%	0.284	C	S	.	.	H	α-helix	trans	-73.2	-38.6	176.2	-64.9	0	0	0	0	112.3	I660 K661 A666 G667 G703 I707	I660-S663 WeakPolarHBondContact O-CB 3.41Å; I660-S663 PolarHBondContact O-N 3.14Å; K661-S663 PolarHBondContact O-N 3.04Å; S663-A666 PolarHBondContact O-N 2.93Å; S663-G667 PolarHBondContact O-N 2.8Å; S663-G703 WeakPolarHBondContact OG-CA 3.26Å; S663-I707 WeakPolarHBondContact O-CG1 3.45Å
664	V	97.8	Very high	94.2	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.006	25%	0.252	C	S	.	.	H	α-helix	trans	-65.4	-43.9	172.8	176.5	0	0	0	0	110.1	L587 W635 V647 I660 K661 A666 G667 F668 V689 V706 A710	L587-V664 HydrophobicContact CD1-CG2 4.28Å; W635-V664 HydrophobicContact CE3-CB 4.31Å; W635-V664 HydrophobicContact CE3-CG1 4.17Å; W635-V664 HydrophobicContact CZ3-CB 3.83Å; W635-V664 HydrophobicContact CZ3-CG1 3.82Å; W635-V664 HydrophobicContact CZ3-CG2 4.14Å; V647-V664 HydrophobicContact CG2-CG1 4.48Å; I660-V664 HydrophobicContact CD1-CG2 3.94Å; I660-V664 HydrophobicContact CG1-CG2 4.42Å; I660-V664 PolarHBondContact O-N 2.74Å; K661-V664 PolarHBondContact O-N 2.84Å; K661-V664 VanDerWaalsContact O-N 3.15Å; V664-A666 VanDerWaalsContact C-N 3.35Å; V664-A666 PolarHBondContact O-N 3.12Å; V664-G667 PolarHBondContact O-N 2.82Å; V664-F668 WeakPolarHBondContact O-CB 3.25Å; V664-F668 PolarHBondContact O-N 3.4Å; V664-V689 HydrophobicContact CG1-CG2 4.5Å; V664-V706 HydrophobicContact CG2-CG1 3.73Å; V664-A710 HydrophobicContact CB-CB 4.39Å; V664-A710 HydrophobicContact CG1-CB 4.22Å; V664-A710 HydrophobicContact CG2-CB 4.38Å
665	V	97	Very high	94.5	Very high	27 Å²	27	49.7 Å²	49.7	16%	0.164	24%	0.242	C	C	.	.	H	α-helix	trans	-59.1	-46	175.6	170.1	0	0	0	0	110.5	W635 A636 K661 G667 F668 Q669	W635-V665 HydrophobicContact CB-CG2 4.06Å; A636-V665 HydrophobicContact CB-CB 4.34Å; A636-V665 HydrophobicContact CB-CG1 3.59Å; A636-V665 HydrophobicContact CB-CG2 3.85Å; K661-V665 HydrophobicContact CG-CG2 4.41Å; K661-V665 WeakPolarHBondContact O-CG2 3.43Å; K661-V665 PolarHBondContact O-N 3.05Å; V665-G667 PolarHBondContact O-N 3.17Å; V665-F668 CarbonylContact O-C 3.48Å; V665-F668 WeakPolarHBondContact O-CB 3.3Å; V665-F668 PolarHBondContact O-N 3.26Å; V665-Q669 HydrophobicContact CG1-CG 4.36Å; V665-Q669 WeakPolarHBondContact O-CG 3.13Å; V665-Q669 PolarHBondContact O-N 2.82Å
666	A	95.9	Very high	94.8	Very high	41 Å²	41	43.5 Å²	43.5	34%	0.339	21%	0.214	S	C	.	.	H	α-helix	trans	-61	-42.6	176.2	0	0	0	0	0	112.6	D662 S663 V664 F668 Q669 W670 I707	D662-A666 WeakPolarHBondContact O-CB 3.5Å; D662-A666 PolarHBondContact O-N 3.31Å; S663-A666 PolarHBondContact O-N 2.93Å; V664-A666 VanDerWaalsContact C-N 3.35Å; V664-A666 PolarHBondContact O-N 3.12Å; A666-F668 VanDerWaalsContact C-N 3.33Å; A666-F668 PolarHBondContact O-N 3.04Å; A666-Q669 PolarHBondContact O-N 2.72Å; A666-W670 PolarHBondContact O-N 3.05Å; A666-W670 VanDerWaalsContact O-N 3.16Å; A666-I707 HydrophobicContact CB-CD1 4.21Å; A666-I707 HydrophobicContact CB-CG1 4.19Å
667	G	97.4	Very high	95	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-62.4	-38.7	173.6	0	0	0	0	0	112.9	S663 V664 V665 W670 A671	S663-G667 PolarHBondContact O-N 2.8Å; V664-G667 PolarHBondContact O-N 2.82Å; V665-G667 PolarHBondContact O-N 3.17Å; G667-W670 PolarHBondContact O-N 2.83Å; G667-A671 WeakPolarHBondContact O-CB 3.22Å; G667-A671 PolarHBondContact O-N 3.08Å
668	F	98	Very high	95	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-68.1	-41.8	174.6	165.5	-107.5	0	0	0	112.9	A636 N645 V647 V664 V665 A666 W670 A671 S672 F687 I714	A636-F668 HydrophobicContact CB-CD1 4.37Å; A636-F668 HydrophobicContact CB-CE1 4.39Å; N645-F668 HydrophobicContact CB-CE2 4.13Å; N645-F668 HydrophobicContact CB-CZ 3.87Å; V647-F668 HydrophobicContact CB-CD1 4.16Å; V647-F668 HydrophobicContact CB-CD2 4.17Å; V647-F668 HydrophobicContact CB-CE1 4.38Å; V647-F668 HydrophobicContact CB-CE2 4.43Å; V647-F668 HydrophobicContact CB-CG 4.03Å; V647-F668 HydrophobicContact CG1-CB 4.3Å; V647-F668 HydrophobicContact CG1-CD1 3.54Å; V647-F668 HydrophobicContact CG1-CD2 4.44Å; V647-F668 HydrophobicContact CG1-CE1 3.89Å; V647-F668 HydrophobicContact CG1-CG 3.84Å; V647-F668 HydrophobicContact CG1-CZ 4.49Å; V664-F668 WeakPolarHBondContact O-CB 3.25Å; V664-F668 PolarHBondContact O-N 3.4Å; V665-F668 CarbonylContact O-C 3.48Å; V665-F668 WeakPolarHBondContact O-CB 3.3Å; V665-F668 PolarHBondContact O-N 3.26Å; A666-F668 VanDerWaalsContact C-N 3.33Å; A666-F668 PolarHBondContact O-N 3.04Å; F668-W670 PolarHBondContact O-N 2.85Å; F668-A671 PolarHBondContact O-N 2.96Å; F668-S672 VanDerWaalsContact O-CB 3.29Å; F668-S672 WeakPolarHBondContact O-CB 3.11Å; F668-S672 PolarHBondContact O-N 3.31Å; F668-S672 PolarHBondContact O-OG 3Å; F668-F687 HydrophobicContact CD2-CD2 4.05Å; F668-F687 HydrophobicContact CD2-CE2 4.49Å; F668-F687 AromaticContact CE2-CD2 3.68Å; F668-F687 HydrophobicContact CE2-CD2 3.68Å; F668-F687 HydrophobicContact CE2-CE2 4.07Å; F668-I714 HydrophobicContact CB-CD1 3.71Å; F668-I714 HydrophobicContact CD2-CD1 4.18Å; F668-I714 HydrophobicContact CG-CD1 4.46Å
669	Q	96.6	Very high	95.1	Very high	33 Å²	33	35.4 Å²	35.4	15%	0.154	17%	0.174	C	C	.	.	H	α-helix	trans	-58.6	-40.1	175.1	-68.6	-51.7	-37.2	0	0	111.2	F637 V665 A666 S672 K673	F637-Q669 PolarHBondContact O-NE2 3.32Å; V665-Q669 HydrophobicContact CG1-CG 4.36Å; V665-Q669 WeakPolarHBondContact O-CG 3.13Å; V665-Q669 PolarHBondContact O-N 2.82Å; A666-Q669 PolarHBondContact O-N 2.72Å; Q669-S672 PolarHBondContact O-OG 3.19Å; Q669-K673 WeakPolarHBondContact O-CB 3.48Å; Q669-K673 PolarHBondContact O-N 2.73Å
670	W	94.4	Very high	95.1	Very high	114 Å²	114	30.4 Å²	30.4	43%	0.432	15%	0.151	S	C	.	.	H	α-helix	trans	-68.5	-53.9	175.8	-166.3	-8.5	0	0	0	111.2	A666 G667 F668 S672 K673 E674 I707	A666-W670 PolarHBondContact O-N 3.05Å; A666-W670 VanDerWaalsContact O-N 3.16Å; G667-W670 PolarHBondContact O-N 2.83Å; F668-W670 PolarHBondContact O-N 2.85Å; W670-S672 PolarHBondContact O-N 2.96Å; W670-K673 WeakPolarHBondContact O-CB 3.36Å; W670-K673 PolarHBondContact O-N 3.28Å; W670-E674 VanDerWaalsContact CD1-OE2 3.31Å; W670-E674 PolarHBondContact NE1-OE2 3.04Å; W670-E674 PolarHBondContact O-N 2.99Å; W670-I707 HydrophobicContact CE3-CG2 4.49Å
671	A	97.1	Very high	95	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-57.4	-47.4	-178.6	0	0	0	0	0	112	G667 F668 K673 E674 M682 R711 I714 Y715	G667-A671 WeakPolarHBondContact O-CB 3.22Å; G667-A671 PolarHBondContact O-N 3.08Å; F668-A671 PolarHBondContact O-N 2.96Å; A671-K673 PolarHBondContact O-N 3.32Å; A671-E674 CarbonylContact O-C 3.54Å; A671-E674 PolarHBondContact O-N 3.07Å; A671-E674 VanDerWaalsContact O-N 3.13Å; A671-M682 HydrophobicContact CB-CE 4.48Å; A671-M682 VanDerWaalsContact O-CE 3.24Å; A671-M682 WeakPolarHBondContact O-CE 3.24Å; A671-R711 HydrophobicContact CB-CG 4.08Å; A671-I714 HydrophobicContact CB-CB 4.12Å; A671-I714 HydrophobicContact CB-CD1 4.24Å; A671-I714 HydrophobicContact CB-CG2 3.57Å; A671-Y715 HydrophobicContact CB-CD1 4.28Å; A671-Y715 HydrophobicContact CB-CE1 3.78Å
672	S	96.3	Very high	95.1	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-65.8	-18.6	179.7	58.4	0	0	0	0	113.8	P639 F668 Q669 W670 M682	P639-S672 VanDerWaalsContact CA-OG 3.3Å; P639-S672 WeakPolarHBondContact CA-OG 3.44Å; F668-S672 VanDerWaalsContact O-CB 3.29Å; F668-S672 WeakPolarHBondContact O-CB 3.11Å; F668-S672 PolarHBondContact O-N 3.31Å; F668-S672 PolarHBondContact O-OG 3Å; Q669-S672 PolarHBondContact O-OG 3.19Å; W670-S672 PolarHBondContact O-N 2.96Å; S672-M682 PolarHBondContact O-N 3.23Å
673	K	92.3	Very high	95.2	Very high	85 Å²	85	23.9 Å²	23.9	37%	0.37	12%	0.118	S	C	.	.	H	α-helix	trans	-84.1	-37	172.7	-172.2	171.1	-179.4	155.9	0	111.9	P639 E640 Q669 W670 A671 N681	P639-K673 HydrophobicContact CB-CB 3.82Å; P639-K673 HydrophobicContact CB-CG 4.45Å; E640-K673 IonicContact OE1-NZ 2.63Å; E640-K673 PolarHBondContact OE1-NZ 3.31Å; Q669-K673 WeakPolarHBondContact O-CB 3.48Å; Q669-K673 PolarHBondContact O-N 2.73Å; W670-K673 WeakPolarHBondContact O-CB 3.36Å; W670-K673 PolarHBondContact O-N 3.28Å; A671-K673 PolarHBondContact O-N 3.32Å; K673-N681 WeakPolarHBondContact O-CA 3.43Å; K673-N681 PolarHBondContact O-N 2.86Å; K673-N681 PolarHBondContact O-OD1 2.95Å
674	E	93.1	Very high	95.2	Very high	45 Å²	45	23.3 Å²	23.3	21%	0.21	12%	0.115	C	C	.	.	S	Bend	trans	-125.9	90.9	-176.6	-71.5	159.2	-152.7	0	0	109.2	W670 A671 E679 Y715	W670-E674 VanDerWaalsContact CD1-OE2 3.31Å; W670-E674 PolarHBondContact NE1-OE2 3.04Å; W670-E674 PolarHBondContact O-N 2.99Å; A671-E674 CarbonylContact O-C 3.54Å; A671-E674 PolarHBondContact O-N 3.07Å; A671-E674 VanDerWaalsContact O-N 3.13Å; E674-E679 HydrophobicContact CB-CB 4.16Å; E674-E679 HydrophobicContact CB-CG 4.29Å; E674-E679 HydrophobicContact CG-CB 4.39Å; E674-Y715 WeakPolarHBondContact O-CE1 3.23Å; E674-Y715 PolarHBondContact O-OH 2.88Å
675	G	94.5	Very high	95.2	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.01	12%	0.115	C	C	.	.			trans	-70.1	160.8	-179.5	0	0	0	0	0	114.9	E566 L677 E679 E680	E566-G675 VanDerWaalsContact CD-CA 3.47Å; E566-G675 VanDerWaalsContact OE1-C 3.31Å; E566-G675 WeakPolarHBondContact OE1-CA 3.15Å; E566-G675 VanDerWaalsContact OE2-C 3.28Å; E566-G675 VanDerWaalsContact OE2-CA 3.32Å; E566-G675 WeakPolarHBondContact OE2-CA 3.43Å; G675-L677 VanDerWaalsContact C-N 3.34Å; G675-L677 PolarHBondContact O-N 3.5Å; G675-E679 WeakPolarHBondContact O-CA 3.48Å; G675-E679 PolarHBondContact O-N 2.74Å; G675-E680 PolarHBondContact N-O 3.5Å
676	P	95.4	Very high	95.3	Very high	8 Å²	8	22 Å²	22	5%	0.052	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-19.6	-175.8	31.4	-35.9	0	0	0	114.2	E566 Y715 Q718 I719	E566-P676 VanDerWaalsContact OE2-CD 3.23Å; E566-P676 WeakPolarHBondContact OE2-CD 3.43Å; P676-Y715 HydrophobicContact CB-CD1 3.87Å; P676-Y715 HydrophobicContact CB-CD2 4.43Å; P676-Y715 HydrophobicContact CB-CE1 4.47Å; P676-Y715 HydrophobicContact CB-CG 3.84Å; P676-Y715 HydrophobicContact CG-CD1 3.94Å; P676-Y715 HydrophobicContact CG-CG 4.28Å; P676-Q718 HydrophobicContact CG-CB 4.37Å; P676-Q718 HydrophobicContact CG-CG 4.34Å; P676-I719 HydrophobicContact CB-CD1 4.12Å; P676-I719 HydrophobicContact CB-CG1 4.32Å; P676-I719 HydrophobicContact CG-CG1 4.19Å
677	L	95	Very high	95.4	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-59.5	178.5	-59	-176.9	0	0	0	109.7	E566 G675 P723 L725 P809 L810 V820 R824 M833	E566-L677 VanDerWaalsContact CD-CB 3.5Å; E566-L677 HydrophobicContact CG-CB 4.31Å; E566-L677 HydrophobicContact CG-CD1 4.35Å; E566-L677 HydrophobicContact CG-CG 4.48Å; E566-L677 PolarHBondContact OE1-N 3.26Å; E566-L677 WeakPolarHBondContact OE2-CB 3.32Å; E566-L677 WeakPolarHBondContact OE2-CG 3.4Å; E566-L677 PolarHBondContact OE2-N 2.87Å; G675-L677 VanDerWaalsContact C-N 3.34Å; G675-L677 PolarHBondContact O-N 3.5Å; L677-P723 HydrophobicContact CD1-CB 4.18Å; L677-P723 HydrophobicContact CD2-CB 4Å; L677-P723 HydrophobicContact CD2-CG 3.97Å; L677-P723 HydrophobicContact CG-CB 4.35Å; L677-L725 HydrophobicContact CD1-CD2 3.94Å; L677-L725 HydrophobicContact CD1-CG 4.45Å; L677-P809 HydrophobicContact CD1-CB 4.21Å; L677-P809 HydrophobicContact CD1-CG 3.81Å; L677-P809 HydrophobicContact CD2-CG 4.28Å; L677-L810 HydrophobicContact CD2-CD2 4.19Å; L677-V820 HydrophobicContact CB-CG1 4.48Å; L677-V820 HydrophobicContact CB-CG2 4.24Å; L677-V820 WeakPolarHBondContact O-CG1 3.46Å; L677-R824 VanDerWaalsContact O-CD 3.26Å; L677-R824 WeakPolarHBondContact O-CD 3.04Å; L677-R824 PolarHBondContact O-NH1 2.88Å; L677-M833 HydrophobicContact CD2-CE 3.39Å; L677-M833 HydrophobicContact CD2-SD 3.7Å
678	A	92.3	Very high	95.4	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-146	18.1	-168.3	0	0	0	0	0	113.2	E566 E680 V820 I823 R824 K827	E566-A678 PolarHBondContact OE1-N 2.73Å; A678-E680 HydrophobicContact CB-CG 4.42Å; A678-E680 PolarHBondContact O-N 3.22Å; A678-V820 HydrophobicContact CB-CG1 4.28Å; A678-I823 HydrophobicContact CB-CB 4.01Å; A678-I823 HydrophobicContact CB-CG2 3.61Å; A678-R824 HydrophobicContact CB-CG 4.17Å; A678-K827 WeakPolarHBondContact O-CD 3.47Å; A678-K827 PolarHBondContact O-NZ 3.41Å
679	E	91.6	Very high	95.4	Very high	65 Å²	65	20.3 Å²	20.3	30%	0.304	9%	0.093	S	C	.	.	S	Bend	trans	55	34.7	-174.9	-62.6	179.4	-177.4	0	0	112.3	E566 E674 G675 K827 L829	E566-E679 PolarHBondContact OE1-N 2.85Å; E674-E679 HydrophobicContact CB-CB 4.16Å; E674-E679 HydrophobicContact CB-CG 4.29Å; E674-E679 HydrophobicContact CG-CB 4.39Å; G675-E679 WeakPolarHBondContact O-CA 3.48Å; G675-E679 PolarHBondContact O-N 2.74Å; E679-K827 HydrophobicContact CB-CD 4.39Å; E679-K827 PolarHBondContact O-NZ 2.72Å; E679-L829 HydrophobicContact CB-CD1 4.17Å; E679-L829 VanDerWaalsContact CD-CD1 3.47Å; E679-L829 HydrophobicContact CG-CD1 3.77Å; E679-L829 WeakPolarHBondContact OE1-CD2 3.37Å
680	E	92	Very high	95.4	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.005	10%	0.096	C	C	.	.	P	Polyproline II helix	trans	-88.8	153.9	169.5	-69.6	-62.4	146.2	0	0	109.6	F564 E566 G675 A678 M682 I823 R826 K827	F564-E680 HydrophobicContact CB-CG 4.35Å; E566-E680 HydrophobicContact CG-CB 3.9Å; E566-E680 PolarHBondContact OE1-N 3.33Å; G675-E680 PolarHBondContact N-O 3.5Å; A678-E680 HydrophobicContact CB-CG 4.42Å; A678-E680 PolarHBondContact O-N 3.22Å; E680-M682 PolarHBondContact O-N 2.96Å; E680-I823 HydrophobicContact CG-CG2 4.36Å; E680-R826 IonicContact OE1-NH2 2.65Å; E680-K827 WeakPolarHBondContact OE1-CE 3.48Å; E680-K827 IonicContact OE1-NZ 3.46Å; E680-K827 PolarHBondContact OE1-NZ 2.99Å
681	N	92.7	Very high	95.5	Very high	39 Å²	39	18.3 Å²	18.3	21%	0.209	9%	0.094	C	C	.	.	P	Polyproline II helix	trans	-58	137	176.3	-72.1	17.5	0	0	0	109.6	R565 E566 P639 K673	R565-N681 CarbonylContact C-O 3.53Å; R565-N681 WeakPolarHBondContact CA-O 3.4Å; R565-N681 WeakPolarHBondContact CB-O 3.38Å; R565-N681 WeakPolarHBondContact CD-O 3.15Å; E566-N681 PolarHBondContact N-O 3.5Å; P639-N681 HydrophobicContact CG-CB 4.43Å; K673-N681 WeakPolarHBondContact O-CA 3.43Å; K673-N681 PolarHBondContact O-N 2.86Å; K673-N681 PolarHBondContact O-OD1 2.95Å
682	M	97.3	Very high	95.5	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.01	10%	0.095	C	C	.	.	B	Isolated β-bridge	trans	-73.9	153	171.9	-61.7	-178.3	-175.3	0	0	110.7	E566 N645 A671 S672 E680 I685 F687 I714 Y715	E566-M682 HydrophobicContact CB-CG 4.44Å; E566-M682 CarbonylContact O-C 3.48Å; E566-M682 WeakPolarHBondContact O-CA 3.35Å; N645-M682 VanDerWaalsContact ND2-C 3.28Å; N645-M682 PolarHBondContact ND2-O 3.16Å; A671-M682 HydrophobicContact CB-CE 4.48Å; A671-M682 VanDerWaalsContact O-CE 3.24Å; A671-M682 WeakPolarHBondContact O-CE 3.24Å; S672-M682 PolarHBondContact O-N 3.23Å; E680-M682 PolarHBondContact O-N 2.96Å; M682-I685 HydrophobicContact CB-CD1 3.93Å; M682-I685 HydrophobicContact CG-CD1 4.12Å; M682-I685 HydrophobicContact SD-CD1 3.98Å; M682-F687 HydrophobicContact CE-CZ 4.45Å; M682-F687 HydrophobicContact SD-CE2 3.87Å; M682-F687 HydrophobicContact SD-CZ 3.63Å; M682-I714 HydrophobicContact CE-CG2 4.35Å; M682-Y715 HydrophobicContact CE-CD1 3.99Å; M682-Y715 HydrophobicContact CE-CE1 3.97Å
683	R	95.9	Very high	95.4	Very high	18 Å²	18	21.4 Å²	21.4	7%	0.068	11%	0.112	C	C	.	.			trans	-147.6	140.8	171.3	171.5	171.1	-160.5	-82.4	2	111.1	R565 E566 T567 E600 D603 P644 N645 L726 W802	R565-R683 HydrophobicContact CB-CB 3.9Å; R565-R683 HydrophobicContact CG-CB 4.15Å; E566-R683 PolarHBondContact O-N 2.63Å; T567-R683 WeakPolarHBondContact CB-O 3.36Å; T567-R683 PolarHBondContact OG1-O 2.79Å; E600-R683 IonicContact OE1-CZ 3.93Å; E600-R683 IonicContact OE1-NH1 3.68Å; E600-R683 PolarHBondContact OE1-NH1 2.91Å; E600-R683 IonicContact OE1-NH2 3.54Å; E600-R683 PolarHBondContact OE1-NH2 2.83Å; D603-R683 IonicContact OD2-CZ 3.5Å; D603-R683 IonicContact OD2-NE 3.5Å; D603-R683 PolarHBondContact OD2-NE 2.92Å; D603-R683 IonicContact OD2-NH2 3.84Å; D603-R683 PolarHBondContact OD2-NH2 3.37Å; P644-R683 HydrophobicContact CG-CB 4.29Å; P644-R683 HydrophobicContact CG-CG 3.76Å; N645-R683 VanDerWaalsContact OD1-CA 3.25Å; N645-R683 WeakPolarHBondContact OD1-CA 3.39Å; N645-R683 PolarHBondContact OD1-N 3.41Å; R683-L726 HydrophobicContact CB-CD1 3.92Å; R683-L726 HydrophobicContact CG-CD1 3.93Å; R683-W802 VanDerWaalsContact CD-CD1 3.46Å; R683-W802 VanDerWaalsContact NE-CD1 3.26Å
684	G	96.9	Very high	95.5	Very high	9 Å²	9	18.6 Å²	18.6	9%	0.093	10%	0.101	C	C	.	.	S	Bend	trans	74.6	26.4	170.9	0	0	0	0	0	113.8	M594 P644 N645	M594-G684 PolarHBondContact N-O 3.23Å; P644-G684 WeakPolarHBondContact O-CA 3.32Å; P644-G684 PolarHBondContact O-N 3.41Å; N645-G684 PolarHBondContact OD1-N 2.78Å
685	I	98.4	Very high	95.6	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	129.2	-177.4	-43.3	179.5	0	0	0	111	V568 A591 N645 M646 M682 F687 Q718	V568-I685 HydrophobicContact CG1-CD1 4.16Å; V568-I685 HydrophobicContact CG1-CG2 4.38Å; V568-I685 HydrophobicContact CG2-CB 4.45Å; V568-I685 HydrophobicContact CG2-CG1 4.18Å; V568-I685 HydrophobicContact CG2-CG2 3.87Å; A591-I685 HydrophobicContact CB-CG2 3.99Å; N645-I685 CarbonylContact C-O 3.59Å; N645-I685 VanDerWaalsContact CA-O 3.26Å; N645-I685 WeakPolarHBondContact CA-O 3.25Å; N645-I685 WeakPolarHBondContact CB-O 3.3Å; N645-I685 PolarHBondContact OD1-N 3.26Å; M646-I685 PolarHBondContact N-O 3.15Å; M682-I685 HydrophobicContact CB-CD1 3.93Å; M682-I685 HydrophobicContact CG-CD1 4.12Å; M682-I685 HydrophobicContact SD-CD1 3.98Å; I685-F687 HydrophobicContact CB-CD2 4.37Å; I685-F687 HydrophobicContact CB-CE2 3.76Å; I685-F687 HydrophobicContact CB-CZ 4.07Å; I685-F687 HydrophobicContact CD1-CE2 4.35Å; I685-F687 HydrophobicContact CD1-CZ 4.04Å; I685-F687 HydrophobicContact CG2-CD1 4.34Å; I685-F687 HydrophobicContact CG2-CD2 3.96Å; I685-F687 HydrophobicContact CG2-CE1 3.9Å; I685-F687 HydrophobicContact CG2-CE2 3.5Å; I685-F687 VanDerWaalsContact CG2-CE2 3.5Å; I685-F687 HydrophobicContact CG2-CG 4.37Å; I685-F687 HydrophobicContact CG2-CZ 3.46Å; I685-F687 VanDerWaalsContact CG2-CZ 3.46Å; I685-Q718 HydrophobicContact CD1-CG 4.38Å
686	C	98.1	Very high	95.3	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	118.7	166.8	-178.1	0	0	0	0	109.7	A591 R592 M594	A591-C686 WeakPolarHBondContact CA-O 3.34Å; R592-C686 HydrophobicContact CG-CB 3.98Å; R592-C686 PolarHBondContact N-O 2.94Å; R592-C686 PolarHBondContact O-N 2.9Å; M594-C686 HydrophobicContact CG-CB 4.43Å
687	F	98.6	Very high	95.1	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	123.7	175.6	-66.9	-80.3	0	0	0	110.5	M589 E590 A591 M646 V647 V648 F668 M682 I685 I714 Q718	M589-F687 HydrophobicContact CE-CB 3.72Å; E590-F687 CarbonylContact O-C 3.58Å; E590-F687 WeakPolarHBondContact O-CA 3.42Å; A591-F687 HydrophobicContact CB-CD1 3.73Å; A591-F687 HydrophobicContact CB-CE1 3.64Å; M646-F687 PolarHBondContact O-N 2.74Å; V647-F687 CarbonylContact C-O 3.55Å; V647-F687 WeakPolarHBondContact CA-O 3.17Å; V648-F687 PolarHBondContact N-O 3.19Å; F668-F687 HydrophobicContact CD2-CD2 4.05Å; F668-F687 HydrophobicContact CD2-CE2 4.49Å; F668-F687 AromaticContact CE2-CD2 3.68Å; F668-F687 HydrophobicContact CE2-CD2 3.68Å; F668-F687 HydrophobicContact CE2-CE2 4.07Å; M682-F687 HydrophobicContact CE-CZ 4.45Å; M682-F687 HydrophobicContact SD-CE2 3.87Å; M682-F687 HydrophobicContact SD-CZ 3.63Å; I685-F687 HydrophobicContact CB-CD2 4.37Å; I685-F687 HydrophobicContact CB-CE2 3.76Å; I685-F687 HydrophobicContact CB-CZ 4.07Å; I685-F687 HydrophobicContact CD1-CE2 4.35Å; I685-F687 HydrophobicContact CD1-CZ 4.04Å; I685-F687 HydrophobicContact CG2-CD1 4.34Å; I685-F687 HydrophobicContact CG2-CD2 3.96Å; I685-F687 HydrophobicContact CG2-CE1 3.9Å; I685-F687 HydrophobicContact CG2-CE2 3.5Å; I685-F687 VanDerWaalsContact CG2-CE2 3.5Å; I685-F687 HydrophobicContact CG2-CG 4.37Å; I685-F687 HydrophobicContact CG2-CZ 3.46Å; I685-F687 VanDerWaalsContact CG2-CZ 3.46Å; F687-I714 HydrophobicContact CD1-CG1 4.42Å; F687-I714 HydrophobicContact CD1-CG2 3.97Å; F687-I714 HydrophobicContact CE1-CB 4.4Å; F687-I714 HydrophobicContact CE1-CG2 3.54Å; F687-I714 HydrophobicContact CE2-CG2 4.12Å; F687-I714 HydrophobicContact CG-CG2 4.44Å; F687-I714 HydrophobicContact CZ-CG2 3.61Å; F687-Q718 HydrophobicContact CE1-CB 4.4Å
688	E	98.1	Very high	94.8	Very high	6 Å²	6	28.4 Å²	28.4	3%	0.028	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	120.2	-176.4	-69.4	-179.3	178.3	0	0	109.8	R571 M589 E590 R592 M650 C690	R571-E688 IonicContact CZ-OE2 2.75Å; R571-E688 IonicContact NH2-OE2 3.66Å; R571-E688 PolarHBondContact NH2-OE2 3.16Å; M589-E688 WeakPolarHBondContact CA-O 3.38Å; M589-E688 WeakPolarHBondContact CB-O 3.43Å; E590-E688 PolarHBondContact N-O 3.45Å; E590-E688 PolarHBondContact O-N 2.9Å; R592-E688 WeakPolarHBondContact CD-OE1 3.34Å; R592-E688 IonicContact CZ-OE1 3.52Å; R592-E688 IonicContact NE-OE1 3.17Å; R592-E688 PolarHBondContact NE-OE1 3.33Å; R592-E688 IonicContact NH2-OE1 2.82Å; M650-E688 HydrophobicContact CG-CB 3.85Å; M650-E688 HydrophobicContact CG-CG 4.03Å; E688-C690 PolarHBondContact O-N 3.38Å; E688-C690 PolarHBondContact O-SG 3.46Å
689	V	97.8	Very high	94.6	Very high	1 Å²	1	35 Å²	35	1%	0.006	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	91.6	172.1	-171.5	0	0	0	0	108.3	M589 W635 V647 V648 M650 C651 V664 V692	M589-V689 HydrophobicContact CE-CG2 3.7Å; M589-V689 HydrophobicContact CG-CG2 4.47Å; M589-V689 HydrophobicContact SD-CG2 4.11Å; W635-V689 HydrophobicContact CE3-CG2 4.43Å; W635-V689 HydrophobicContact CH2-CG2 4.46Å; W635-V689 HydrophobicContact CZ3-CG2 4Å; V647-V689 HydrophobicContact CG2-CG2 3.87Å; V648-V689 PolarHBondContact O-N 3.49Å; M650-V689 CarbonylContact C-O 3.49Å; M650-V689 WeakPolarHBondContact CA-O 3.34Å; M650-V689 WeakPolarHBondContact CB-O 3.48Å; M650-V689 PolarHBondContact N-O 2.85Å; C651-V689 PolarHBondContact N-O 2.87Å; C651-V689 PolarHBondContact SG-O 3.01Å; V664-V689 HydrophobicContact CG1-CG2 4.5Å; V689-V692 HydrophobicContact CG1-CG1 3.83Å
690	C	96.7	Very high	94.6	Very high	32 Å²	32	34.2 Å²	34.2	22%	0.216	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	-43.4	-171.4	-57	0	0	0	0	112.9	T575 Y588 E688	T575-C690 HydrophobicContact CG2-CB 3.91Å; Y588-C690 PolarHBondContact O-N 3.46Å; E688-C690 PolarHBondContact O-N 3.38Å; E688-C690 PolarHBondContact O-SG 3.46Å
691	D	95.8	Very high	94.5	Very high	72 Å²	72	34.8 Å²	34.8	39%	0.385	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	160.6	179.2	-163.4	11.9	0	0	0	110.8	Y588 C651	Y588-D691 WeakPolarHBondContact CB-O 3.38Å; Y588-D691 HydrophobicContact CD2-CB 4.09Å; Y588-D691 WeakPolarHBondContact CD2-O 3.29Å; Y588-D691 HydrophobicContact CG-CB 4.23Å; Y588-D691 PolarHBondContact N-O 2.91Å; Y588-D691 PolarHBondContact O-N 3.36Å; C651-D691 VanDerWaalsContact SG-CA 3.58Å
692	V	96.1	Very high	94.5	Very high	6 Å²	6	34.6 Å²	34.6	4%	0.036	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	140.3	172.9	-54.9	0	0	0	0	111.1	R586 L587 V654 L657 I660 V689 L694	R586-V692 CarbonylContact O-C 3.55Å; R586-V692 VanDerWaalsContact O-CA 3.3Å; R586-V692 WeakPolarHBondContact O-CA 3.24Å; L587-V692 HydrophobicContact CD2-CB 4.03Å; L587-V692 HydrophobicContact CD2-CG1 3.48Å; L587-V692 VanDerWaalsContact CD2-CG1 3.48Å; V654-V692 HydrophobicContact CB-CG2 4.19Å; V654-V692 HydrophobicContact CG1-CG2 3.25Å; V654-V692 HydrophobicContact CG2-CG2 4.39Å; L657-V692 HydrophobicContact CD1-CG1 4.24Å; L657-V692 HydrophobicContact CD1-CG2 3.69Å; I660-V692 HydrophobicContact CD1-CG1 4.19Å; V689-V692 HydrophobicContact CG1-CG1 3.83Å; V692-L694 HydrophobicContact CB-CD2 4.47Å; V692-L694 HydrophobicContact CB-CG 4.22Å; V692-L694 HydrophobicContact CG2-CD1 3.77Å; V692-L694 HydrophobicContact CG2-CD2 4.46Å; V692-L694 HydrophobicContact CG2-CG 3.78Å
693	V	95.2	Very high	94.2	Very high	59 Å²	59	35.7 Å²	35.7	36%	0.358	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	117.2	167.7	177.7	0	0	0	0	107.1	N585 R586 Y588	N585-V693 CarbonylContact C-O 3.56Å; N585-V693 WeakPolarHBondContact CA-O 3.18Å; R586-V693 HydrophobicContact CB-CB 4.04Å; R586-V693 HydrophobicContact CB-CG2 4.5Å; R586-V693 HydrophobicContact CG-CB 4.19Å; R586-V693 PolarHBondContact N-O 3.43Å; R586-V693 PolarHBondContact O-N 3.17Å; Y588-V693 HydrophobicContact CE2-CG2 4.09Å
694	L	95.3	Very high	94	Very high	27 Å²	27	37.6 Å²	37.6	14%	0.141	24%	0.243	C	C	.	.			trans	-119.9	136.6	-173.4	-67.4	-178.3	0	0	0	111.1	N585 I660 V692	N585-L694 HydrophobicContact CB-CD2 4.13Å; I660-L694 HydrophobicContact CD1-CD1 4.06Å; I660-L694 HydrophobicContact CD1-CD2 4.08Å; I660-L694 HydrophobicContact CG1-CD1 4.12Å; I660-L694 HydrophobicContact CG2-CD1 4.07Å; I660-L694 HydrophobicContact CG2-CD2 4Å; V692-L694 HydrophobicContact CB-CD2 4.47Å; V692-L694 HydrophobicContact CB-CG 4.22Å; V692-L694 HydrophobicContact CG2-CD1 3.77Å; V692-L694 HydrophobicContact CG2-CD2 4.46Å; V692-L694 HydrophobicContact CG2-CG 3.78Å
695	H	93.6	Very high	93.9	Very high	53 Å²	53	39.3 Å²	39.3	25%	0.245	25%	0.248	C	C	.	.			trans	-68.9	144.6	174.7	-166	-90	0	0	0	111	H584 N585 D697 H700 R701	H584-H695 HydrophobicContact CB-CB 4.01Å; H584-H695 AromaticContact CG-CD2 3.94Å; H584-H695 AromaticContact ND1-CD2 3.9Å; N585-H695 PolarHBondContact OD1-N 3.27Å; H695-D697 PolarHBondContact ND1-N 3.48Å; H695-D697 VanDerWaalsContact ND1-N 3.14Å; H695-D697 PolarHBondContact O-N 2.74Å; H695-H700 HydrophobicContact CB-CB 3.82Å; H695-H700 AromaticContact CE1-CD2 3.55Å; H695-H700 AromaticContact ND1-CD2 3.4Å; H695-H700 PolarHBondContact ND1-CD2 2.82Å; H695-H700 AromaticContact ND1-CG 3.83Å; H695-R701 WeakPolarHBondContact O-CD 3.4Å; H695-R701 PolarHBondContact O-NE 2.93Å
696	S	89.8	Confident	93.9	Very high	80 Å²	80	39.4 Å²	39.4	56%	0.559	25%	0.249	S	C	*	.	S	Bend	trans	-63.1	-43.7	-178.1	49.7	0	0	0	0	112.6
697	D	90	Very high	93.8	Very high	75 Å²	75	41.6 Å²	41.6	40%	0.401	26%	0.26	S	S	.	.	S	Bend	trans	-76.7	126.8	178.8	-173.2	-15.7	0	0	0	112.2	H695 I699 H700	H695-D697 PolarHBondContact ND1-N 3.48Å; H695-D697 VanDerWaalsContact ND1-N 3.14Å; H695-D697 PolarHBondContact O-N 2.74Å; D697-I699 VanDerWaalsContact C-N 3.27Å; D697-I699 PolarHBondContact O-N 3.18Å; D697-I699 PolarHBondContact OD1-N 3.31Å; D697-I699 VanDerWaalsContact OD1-N 3.1Å; D697-H700 PolarHBondContact O-N 3.19Å
698	A	88.3	Confident	93.8	Very high	52 Å²	52	43.8 Å²	43.8	43%	0.43	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-62.8	-26.6	-175.9	0	0	0	0	0	113.9	H700 R701 G702	A698-H700 PolarHBondContact O-N 2.84Å; A698-R701 PolarHBondContact O-N 3.15Å; A698-G702 PolarHBondContact O-N 2.8Å
699	I	88.3	Confident	93.7	Very high	138 Å²	138	43.7 Å²	43.7	71%	0.708	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-59.2	-32.3	177.4	-62.7	172.5	0	0	0	110.7	D697 R701	D697-I699 VanDerWaalsContact C-N 3.27Å; D697-I699 PolarHBondContact O-N 3.18Å; D697-I699 PolarHBondContact OD1-N 3.31Å; D697-I699 VanDerWaalsContact OD1-N 3.1Å; I699-R701 VanDerWaalsContact C-N 3.29Å; I699-R701 PolarHBondContact O-N 2.83Å
700	H	91.3	Very high	93.8	Very high	49 Å²	49	43.6 Å²	43.6	23%	0.227	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-79.8	-9.4	177.7	-64.8	-76.5	0	0	0	113.3	N582 H584 N585 H695 D697 A698	N582-H700 PolarHBondContact ND2-ND1 3.33Å; N582-H700 VanDerWaalsContact ND2-ND1 3.17Å; H584-H700 HydrophobicContact CB-CB 4.46Å; H584-H700 AromaticContact CD2-CE1 3.84Å; H584-H700 AromaticContact CD2-ND1 3.44Å; H584-H700 PolarHBondContact CD2-ND1 3.38Å; N585-H700 PolarHBondContact ND2-O 2.7Å; H695-H700 HydrophobicContact CB-CB 3.82Å; H695-H700 AromaticContact CE1-CD2 3.55Å; H695-H700 AromaticContact ND1-CD2 3.4Å; H695-H700 PolarHBondContact ND1-CD2 2.82Å; H695-H700 AromaticContact ND1-CG 3.83Å; D697-H700 PolarHBondContact O-N 3.19Å; A698-H700 PolarHBondContact O-N 2.84Å
701	R	91.6	Very high	93.8	Very high	13 Å²	13	45.6 Å²	45.6	5%	0.049	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-109.1	8.1	-176.4	-61.5	-173.1	-76.7	107.4	-5.3	113.7	E659 I660 H695 A698 I699 V706	E659-R701 VanDerWaalsContact CB-NH1 3.26Å; E659-R701 IonicContact OE1-NH1 2.75Å; E659-R701 IonicContact OE1-NH2 2.9Å; E659-R701 PolarHBondContact OE1-NH2 3.14Å; E659-R701 IonicContact OE2-CZ 2.79Å; E659-R701 IonicContact OE2-NH1 3.27Å; E659-R701 PolarHBondContact OE2-NH1 2.8Å; E659-R701 IonicContact OE2-NH2 2.75Å; E659-R701 PolarHBondContact OE2-NH2 2.85Å; I660-R701 HydrophobicContact CG2-CB 4.23Å; H695-R701 WeakPolarHBondContact O-CD 3.4Å; H695-R701 PolarHBondContact O-NE 2.93Å; A698-R701 PolarHBondContact O-N 3.15Å; I699-R701 VanDerWaalsContact C-N 3.29Å; I699-R701 PolarHBondContact O-N 2.83Å; R701-V706 WeakPolarHBondContact O-CG2 3.33Å
702	G	91	Very high	93.9	Very high	34 Å²	34	45.2 Å²	45.2	35%	0.351	27%	0.27	S	S	.	.	S	Bend	trans	-64.4	164.5	178.4	0	0	0	0	0	114	A698 G704 Q705 V706	A698-G702 PolarHBondContact O-N 2.8Å; G702-G704 VanDerWaalsContact C-N 3.3Å; G702-G704 PolarHBondContact O-N 2.94Å; G702-Q705 WeakPolarHBondContact O-CB 3.44Å; G702-Q705 PolarHBondContact O-N 3Å; G702-V706 PolarHBondContact O-N 2.8Å
703	G	91	Very high	94	Very high	25 Å²	25	44.9 Å²	44.9	26%	0.258	27%	0.268	S	S	.	.	H	α-helix	trans	-54.9	-38.3	-174.3	0	0	0	0	0	114.7	S663 Q705 V706 I707	S663-G703 WeakPolarHBondContact OG-CA 3.26Å; G703-Q705 PolarHBondContact O-N 2.81Å; G703-Q705 VanDerWaalsContact O-N 3.14Å; G703-V706 PolarHBondContact O-N 2.82Å; G703-I707 VanDerWaalsContact O-CB 3.24Å; G703-I707 WeakPolarHBondContact O-CB 3.2Å; G703-I707 VanDerWaalsContact O-CG1 3.23Å; G703-I707 WeakPolarHBondContact O-CG1 3.43Å; G703-I707 PolarHBondContact O-N 2.83Å
704	G	93.2	Very high	94.2	Very high	59 Å²	59	42.1 Å²	42.1	61%	0.608	25%	0.251	S	S	*	.	H	α-helix	trans	-63.7	-17.3	176.1	0	0	0	0	0	114.8	G702 P708	G702-G704 VanDerWaalsContact C-N 3.3Å; G702-G704 PolarHBondContact O-N 2.94Å; G704-P708 VanDerWaalsContact O-CG 3.28Å; G704-P708 WeakPolarHBondContact O-CG 3.32Å
705	Q	94.6	Very high	94.3	Very high	44 Å²	44	41.5 Å²	41.5	21%	0.206	25%	0.247	C	C	.	.	H	α-helix	trans	-95.5	-37.2	174.2	-60.6	-58.5	-50.9	0	0	112.2	N582 G702 G703 T709	N582-Q705 PolarHBondContact ND2-OE1 2.87Å; N582-Q705 PolarHBondContact OD1-OE1 2.79Å; G702-Q705 WeakPolarHBondContact O-CB 3.44Å; G702-Q705 PolarHBondContact O-N 3Å; G703-Q705 PolarHBondContact O-N 2.81Å; G703-Q705 VanDerWaalsContact O-N 3.14Å; Q705-T709 PolarHBondContact O-OG1 2.93Å
706	V	97.4	Very high	94.5	Very high	3 Å²	3	39 Å²	39	2%	0.018	24%	0.235	C	C	.	.	H	α-helix	trans	-90.5	-43	-171.9	178.1	0	0	0	0	112.5	L587 I660 V664 R701 G702 G703 T709 A710	L587-V706 HydrophobicContact CD1-CG1 4.49Å; I660-V706 HydrophobicContact CB-CG1 4.1Å; I660-V706 HydrophobicContact CB-CG2 4.3Å; I660-V706 HydrophobicContact CG2-CG2 3.91Å; V664-V706 HydrophobicContact CG2-CG1 3.73Å; R701-V706 WeakPolarHBondContact O-CG2 3.33Å; G702-V706 PolarHBondContact O-N 2.8Å; G703-V706 PolarHBondContact O-N 2.82Å; V706-T709 PolarHBondContact O-N 2.92Å; V706-A710 WeakPolarHBondContact O-CB 3.39Å; V706-A710 PolarHBondContact O-N 2.83Å
707	I	97.1	Very high	94.9	Very high	46 Å²	46	35.1 Å²	35.1	24%	0.236	21%	0.209	C	C	.	.	H	α-helix	trans	-57.2	-55.2	-176.9	-63.4	168.9	0	0	0	111.8	S663 A666 W670 G703 T709 A710 R711	S663-I707 WeakPolarHBondContact O-CG1 3.45Å; A666-I707 HydrophobicContact CB-CD1 4.21Å; A666-I707 HydrophobicContact CB-CG1 4.19Å; W670-I707 HydrophobicContact CE3-CG2 4.49Å; G703-I707 VanDerWaalsContact O-CB 3.24Å; G703-I707 WeakPolarHBondContact O-CB 3.2Å; G703-I707 VanDerWaalsContact O-CG1 3.23Å; G703-I707 WeakPolarHBondContact O-CG1 3.43Å; G703-I707 PolarHBondContact O-N 2.83Å; I707-T709 VanDerWaalsContact C-N 3.29Å; I707-T709 PolarHBondContact O-N 2.79Å; I707-A710 PolarHBondContact O-N 3.42Å; I707-R711 PolarHBondContact O-N 3.28Å
708	P	96.9	Very high	95.3	Very high	46 Å²	46	31.6 Å²	31.6	30%	0.299	19%	0.189	S	C	.	.	H	α-helix	trans	-64.9	-31.9	179	22.1	-31.5	0	0	0	112.9	P581 G704 R711 R712	P581-P708 HydrophobicContact CG-CG 4.44Å; G704-P708 VanDerWaalsContact O-CG 3.28Å; G704-P708 WeakPolarHBondContact O-CG 3.32Å; P708-R711 PolarHBondContact O-N 3.44Å; P708-R712 WeakPolarHBondContact O-CG 3.27Å; P708-R712 PolarHBondContact O-N 3.45Å
709	T	97.8	Very high	95.7	Very high	3 Å²	3	30.1 Å²	30.1	2%	0.018	17%	0.174	C	C	.	.	H	α-helix	trans	-70.7	-41.2	176.6	-61.5	0	0	0	0	112.2	S578 K579 S580 L587 Q705 V706 I707 R711 R712 V713	S578-T709 WeakPolarHBondContact O-CG2 3.41Å; K579-T709 PolarHBondContact O-OG1 2.91Å; K579-T709 VanDerWaalsContact O-OG1 3.14Å; S580-T709 VanDerWaalsContact CA-OG1 3.23Å; S580-T709 WeakPolarHBondContact CA-OG1 3.43Å; L587-T709 HydrophobicContact CB-CG2 4.4Å; L587-T709 HydrophobicContact CD1-CG2 3.94Å; L587-T709 HydrophobicContact CG-CG2 3.97Å; Q705-T709 PolarHBondContact O-OG1 2.93Å; V706-T709 PolarHBondContact O-N 2.92Å; I707-T709 VanDerWaalsContact C-N 3.29Å; I707-T709 PolarHBondContact O-N 2.79Å; T709-R711 VanDerWaalsContact C-N 3.33Å; T709-R712 PolarHBondContact O-N 2.91Å; T709-V713 WeakPolarHBondContact O-CG1 3.2Å; T709-V713 PolarHBondContact O-N 2.96Å
710	A	98.2	Very high	96.1	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-59.2	-46.4	172.6	0	0	0	0	0	110.4	L587 V664 V706 I707 R712 V713 I714	L587-A710 HydrophobicContact CD1-CB 3.96Å; V664-A710 HydrophobicContact CB-CB 4.39Å; V664-A710 HydrophobicContact CG1-CB 4.22Å; V664-A710 HydrophobicContact CG2-CB 4.38Å; V706-A710 WeakPolarHBondContact O-CB 3.39Å; V706-A710 PolarHBondContact O-N 2.83Å; I707-A710 PolarHBondContact O-N 3.42Å; A710-R712 PolarHBondContact O-N 3.23Å; A710-V713 VanDerWaalsContact O-CG1 3.31Å; A710-V713 WeakPolarHBondContact O-CG1 3.44Å; A710-V713 PolarHBondContact O-N 2.76Å; A710-I714 WeakPolarHBondContact O-CB 3.3Å; A710-I714 WeakPolarHBondContact O-CD1 3.41Å; A710-I714 WeakPolarHBondContact O-CG1 3.48Å; A710-I714 PolarHBondContact O-N 2.77Å
711	R	97.4	Very high	96.4	Very high	73 Å²	73	21.7 Å²	21.7	28%	0.275	13%	0.133	S	C	.	.	H	α-helix	trans	-58.4	-48.2	175.8	-169.8	176.5	77.2	162.7	5.9	112.2	A671 I707 P708 T709 I714 Y715	A671-R711 HydrophobicContact CB-CG 4.08Å; I707-R711 PolarHBondContact O-N 3.28Å; P708-R711 PolarHBondContact O-N 3.44Å; T709-R711 VanDerWaalsContact C-N 3.33Å; R711-I714 PolarHBondContact O-N 3.01Å; R711-Y715 HydrophobicContact CG-CD2 4.28Å; R711-Y715 HydrophobicContact CG-CE1 4.35Å; R711-Y715 HydrophobicContact CG-CE2 3.66Å; R711-Y715 PolarHBondContact O-N 3.11Å; R711-Y715 VanDerWaalsContact O-N 3.11Å
712	R	97.8	Very high	96.6	Very high	64 Å²	64	25.5 Å²	25.5	24%	0.242	15%	0.15	C	C	.	.	H	α-helix	trans	-59.4	-50	178	-74.7	177.4	71.8	-136.8	0	111.9	K579 P708 T709 A710 I714 Y715 A716 E838 F839 D841	K579-R712 PolarHBondContact O-NH1 3.45Å; P708-R712 WeakPolarHBondContact O-CG 3.27Å; P708-R712 PolarHBondContact O-N 3.45Å; T709-R712 PolarHBondContact O-N 2.91Å; A710-R712 PolarHBondContact O-N 3.23Å; R712-I714 VanDerWaalsContact C-N 3.3Å; R712-I714 PolarHBondContact O-N 3.22Å; R712-Y715 PolarHBondContact O-N 3.05Å; R712-A716 PolarHBondContact O-N 2.75Å; R712-E838 VanDerWaalsContact CZ-O 3.31Å; R712-E838 PolarHBondContact NE-O 2.93Å; R712-E838 PolarHBondContact NH2-O 3.17Å; R712-F839 HydrophobicContact CG-CD1 4.3Å; R712-F839 WeakPolarHBondContact O-CB 3.26Å; R712-D841 IonicContact CZ-OD1 2.79Å; R712-D841 IonicContact CZ-OD2 2.97Å; R712-D841 IonicContact NH1-OD1 3.34Å; R712-D841 IonicContact NH1-OD2 3.61Å; R712-D841 PolarHBondContact NH1-OD2 3.31Å; R712-D841 IonicContact NH2-OD1 2.96Å; R712-D841 PolarHBondContact NH2-OD1 2.96Å; R712-D841 IonicContact NH2-OD2 3.32Å; R712-D841 PolarHBondContact NH2-OD2 2.8Å
713	V	98.3	Very high	96.9	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-66.3	-36	-176.4	73	0	0	0	0	111.2	V576 S578 L587 M589 T709 A710 A716 S717	V576-V713 HydrophobicContact CG2-CG2 3.87Å; S578-V713 VanDerWaalsContact OG-CA 3.22Å; S578-V713 WeakPolarHBondContact OG-CA 3.23Å; S578-V713 WeakPolarHBondContact OG-CB 3.49Å; S578-V713 PolarHBondContact OG-N 3.03Å; L587-V713 HydrophobicContact CB-CG1 4.05Å; L587-V713 HydrophobicContact CD1-CG1 4.44Å; M589-V713 HydrophobicContact CB-CG1 4.29Å; M589-V713 HydrophobicContact CB-CG2 3.88Å; M589-V713 HydrophobicContact CG-CG1 3.74Å; M589-V713 HydrophobicContact CG-CG2 4.03Å; M589-V713 HydrophobicContact SD-CG1 3.4Å; M589-V713 WeakPolarHBondContact SD-CG1 3.5Å; T709-V713 WeakPolarHBondContact O-CG1 3.2Å; T709-V713 PolarHBondContact O-N 2.96Å; A710-V713 VanDerWaalsContact O-CG1 3.31Å; A710-V713 WeakPolarHBondContact O-CG1 3.44Å; A710-V713 PolarHBondContact O-N 2.76Å; V713-A716 PolarHBondContact O-N 3.27Å; V713-S717 WeakPolarHBondContact O-CB 3.5Å; V713-S717 PolarHBondContact O-N 2.98Å; V713-S717 PolarHBondContact O-OG 3.46Å
714	I	98.6	Very high	97.1	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-61.6	-45.7	175.1	-72.3	167.1	0	0	0	111.2	M589 F668 A671 M682 F687 A710 R711 R712 A716 S717 Q718	M589-I714 HydrophobicContact CE-CG1 4.05Å; M589-I714 HydrophobicContact SD-CG1 3.98Å; F668-I714 HydrophobicContact CB-CD1 3.71Å; F668-I714 HydrophobicContact CD2-CD1 4.18Å; F668-I714 HydrophobicContact CG-CD1 4.46Å; A671-I714 HydrophobicContact CB-CB 4.12Å; A671-I714 HydrophobicContact CB-CD1 4.24Å; A671-I714 HydrophobicContact CB-CG2 3.57Å; M682-I714 HydrophobicContact CE-CG2 4.35Å; F687-I714 HydrophobicContact CD1-CG1 4.42Å; F687-I714 HydrophobicContact CD1-CG2 3.97Å; F687-I714 HydrophobicContact CE1-CB 4.4Å; F687-I714 HydrophobicContact CE1-CG2 3.54Å; F687-I714 HydrophobicContact CE2-CG2 4.12Å; F687-I714 HydrophobicContact CG-CG2 4.44Å; F687-I714 HydrophobicContact CZ-CG2 3.61Å; A710-I714 WeakPolarHBondContact O-CB 3.3Å; A710-I714 WeakPolarHBondContact O-CD1 3.41Å; A710-I714 WeakPolarHBondContact O-CG1 3.48Å; A710-I714 PolarHBondContact O-N 2.77Å; R711-I714 PolarHBondContact O-N 3.01Å; R712-I714 VanDerWaalsContact C-N 3.3Å; R712-I714 PolarHBondContact O-N 3.22Å; I714-A716 PolarHBondContact O-N 3.48Å; I714-S717 WeakPolarHBondContact O-CB 3.47Å; I714-S717 PolarHBondContact O-N 3.39Å; I714-Q718 PolarHBondContact O-N 2.74Å
715	Y	98.3	Very high	97.3	Very high	14 Å²	14	21.4 Å²	21.4	6%	0.055	10%	0.097	C	C	.	.	H	α-helix	trans	-61.5	-42.9	174.6	-67.8	-19	0	0	0	112.3	A671 E674 P676 M682 R711 R712 S717 Q718 I719 F839	A671-Y715 HydrophobicContact CB-CD1 4.28Å; A671-Y715 HydrophobicContact CB-CE1 3.78Å; E674-Y715 WeakPolarHBondContact O-CE1 3.23Å; E674-Y715 PolarHBondContact O-OH 2.88Å; P676-Y715 HydrophobicContact CB-CD1 3.87Å; P676-Y715 HydrophobicContact CB-CD2 4.43Å; P676-Y715 HydrophobicContact CB-CE1 4.47Å; P676-Y715 HydrophobicContact CB-CG 3.84Å; P676-Y715 HydrophobicContact CG-CD1 3.94Å; P676-Y715 HydrophobicContact CG-CG 4.28Å; M682-Y715 HydrophobicContact CE-CD1 3.99Å; M682-Y715 HydrophobicContact CE-CE1 3.97Å; R711-Y715 HydrophobicContact CG-CD2 4.28Å; R711-Y715 HydrophobicContact CG-CE1 4.35Å; R711-Y715 HydrophobicContact CG-CE2 3.66Å; R711-Y715 PolarHBondContact O-N 3.11Å; R711-Y715 VanDerWaalsContact O-N 3.11Å; R712-Y715 PolarHBondContact O-N 3.05Å; Y715-S717 VanDerWaalsContact C-N 3.33Å; Y715-S717 PolarHBondContact O-N 3.36Å; Y715-Q718 PolarHBondContact O-N 3.06Å; Y715-I719 VanDerWaalsContact O-CG1 3.27Å; Y715-I719 WeakPolarHBondContact O-CG1 3.39Å; Y715-I719 PolarHBondContact O-N 3.13Å; Y715-F839 HydrophobicContact CD2-CD1 4.05Å; Y715-F839 AromaticContact CD2-CE1 3.63Å; Y715-F839 HydrophobicContact CD2-CE1 3.63Å; Y715-F839 AromaticContact CD2-CZ 3.88Å; Y715-F839 HydrophobicContact CD2-CZ 3.88Å; Y715-F839 HydrophobicContact CE2-CE1 4.44Å
716	A	98	Very high	97.3	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-62	-41	174.6	0	0	0	0	0	111.9	V576 R712 V713 I714 I719 T720 L836 F839 E840	V576-A716 HydrophobicContact CB-CB 4Å; V576-A716 HydrophobicContact CG1-CB 4.21Å; V576-A716 HydrophobicContact CG2-CB 3.85Å; R712-A716 PolarHBondContact O-N 2.75Å; V713-A716 PolarHBondContact O-N 3.27Å; I714-A716 PolarHBondContact O-N 3.48Å; A716-I719 PolarHBondContact O-N 2.8Å; A716-T720 WeakPolarHBondContact O-CB 3.43Å; A716-T720 WeakPolarHBondContact O-CG2 3.38Å; A716-T720 PolarHBondContact O-N 2.81Å; A716-T720 PolarHBondContact O-OG1 3.45Å; A716-L836 HydrophobicContact CB-CD1 3.78Å; A716-F839 HydrophobicContact CB-CB 3.84Å; A716-E840 HydrophobicContact CB-CB 4.12Å
717	S	98.3	Very high	97.2	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-62.2	-44.9	178.2	-62.7	0	0	0	0	110.9	S572 V576 M589 V713 I714 Y715 T720 A721	S572-S717 PolarHBondContact OG-O 2.65Å; V576-S717 WeakPolarHBondContact CG2-OG 3.48Å; M589-S717 VanDerWaalsContact C-OG 3.31Å; M589-S717 WeakPolarHBondContact CB-OG 3.39Å; M589-S717 PolarHBondContact O-OG 3.27Å; V713-S717 WeakPolarHBondContact O-CB 3.5Å; V713-S717 PolarHBondContact O-N 2.98Å; V713-S717 PolarHBondContact O-OG 3.46Å; I714-S717 WeakPolarHBondContact O-CB 3.47Å; I714-S717 PolarHBondContact O-N 3.39Å; Y715-S717 VanDerWaalsContact C-N 3.33Å; Y715-S717 PolarHBondContact O-N 3.36Å; S717-T720 PolarHBondContact O-N 3.46Å; S717-T720 PolarHBondContact O-OG1 3.03Å; S717-A721 VanDerWaalsContact O-CB 3.23Å; S717-A721 WeakPolarHBondContact O-CB 3.47Å; S717-A721 PolarHBondContact O-N 3.23Å
718	Q	97.7	Very high	97	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-65.4	-46.8	177.4	-178.1	-173.4	-11.4	0	0	112.4	E566 V568 P676 I685 F687 I714 Y715 T720 A721 P723	E566-Q718 PolarHBondContact OE2-NE2 3.21Å; V568-Q718 HydrophobicContact CG1-CB 4.29Å; V568-Q718 HydrophobicContact CG1-CG 3.65Å; P676-Q718 HydrophobicContact CG-CB 4.37Å; P676-Q718 HydrophobicContact CG-CG 4.34Å; I685-Q718 HydrophobicContact CD1-CG 4.38Å; F687-Q718 HydrophobicContact CE1-CB 4.4Å; I714-Q718 PolarHBondContact O-N 2.74Å; Y715-Q718 PolarHBondContact O-N 3.06Å; Q718-T720 PolarHBondContact O-N 3.38Å; Q718-A721 PolarHBondContact O-N 2.9Å; Q718-P723 HydrophobicContact CG-CB 4.19Å
719	I	96.8	Very high	96.8	Very high	21 Å²	21	15.7 Å²	15.7	11%	0.108	7%	0.066	C	C	.	.	H	α-helix	trans	-60.5	-34.6	-179.6	-69.1	165.5	0	0	0	111	P676 Y715 A716 A721 P723 L836 F839	P676-I719 HydrophobicContact CB-CD1 4.12Å; P676-I719 HydrophobicContact CB-CG1 4.32Å; P676-I719 HydrophobicContact CG-CG1 4.19Å; Y715-I719 VanDerWaalsContact O-CG1 3.27Å; Y715-I719 WeakPolarHBondContact O-CG1 3.39Å; Y715-I719 PolarHBondContact O-N 3.13Å; A716-I719 PolarHBondContact O-N 2.8Å; I719-A721 VanDerWaalsContact C-N 3.3Å; I719-A721 PolarHBondContact O-N 2.81Å; I719-P723 WeakPolarHBondContact O-CD 3.38Å; I719-L836 HydrophobicContact CB-CD1 4.21Å; I719-L836 HydrophobicContact CG2-CB 4.23Å; I719-L836 HydrophobicContact CG2-CD1 4.09Å; I719-F839 HydrophobicContact CD1-CD2 3.61Å; I719-F839 HydrophobicContact CD1-CE2 3.73Å
720	T	97.2	Very high	96.5	Very high	10 Å²	10	16 Å²	16	6%	0.061	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-4.1	178.2	55.1	0	0	0	0	114.3	S572 T573 V576 A716 S717 Q718 L836	S572-T720 WeakPolarHBondContact CA-O 3.43Å; S572-T720 PolarHBondContact OG-OG1 2.9Å; T573-T720 PolarHBondContact N-O 2.98Å; T573-T720 PolarHBondContact OG1-O 3.27Å; V576-T720 HydrophobicContact CG1-CG2 3.72Å; A716-T720 WeakPolarHBondContact O-CB 3.43Å; A716-T720 WeakPolarHBondContact O-CG2 3.38Å; A716-T720 PolarHBondContact O-N 2.81Å; A716-T720 PolarHBondContact O-OG1 3.45Å; S717-T720 PolarHBondContact O-N 3.46Å; S717-T720 PolarHBondContact O-OG1 3.03Å; Q718-T720 PolarHBondContact O-N 3.38Å; T720-L836 HydrophobicContact CG2-CD1 4.09Å; T720-L836 HydrophobicContact CG2-CD2 3.71Å
721	A	97.1	Very high	96.2	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	26.7	-176.3	0	0	0	0	0	113.3	V568 C569 D570 A591 S717 Q718 I719	V568-A721 HydrophobicContact CB-CB 3.87Å; V568-A721 WeakPolarHBondContact CB-O 3.19Å; V568-A721 HydrophobicContact CG1-CB 3.62Å; C569-A721 PolarHBondContact N-O 2.92Å; D570-A721 PolarHBondContact N-O 3.19Å; D570-A721 WeakPolarHBondContact O-CB 3.41Å; A591-A721 HydrophobicContact CB-CB 3.99Å; S717-A721 VanDerWaalsContact O-CB 3.23Å; S717-A721 WeakPolarHBondContact O-CB 3.47Å; S717-A721 PolarHBondContact O-N 3.23Å; Q718-A721 PolarHBondContact O-N 2.9Å; I719-A721 VanDerWaalsContact C-N 3.3Å; I719-A721 PolarHBondContact O-N 2.81Å
722	K	95.7	Very high	95.9	Very high	94 Å²	94	13.9 Å²	13.9	41%	0.409	6%	0.06	S	C	.	.			trans	52.3	70.4	-176.6	-60.9	-178.7	-173.5	156.1	0	111.6	C569 D570	C569-K722 HydrophobicContact CB-CB 4.24Å; C569-K722 WeakPolarHBondContact CB-O 3.49Å; C569-K722 PolarHBondContact N-O 3.01Å; D570-K722 HydrophobicContact CB-CB 4.37Å; D570-K722 HydrophobicContact CB-CD 3.86Å; D570-K722 HydrophobicContact CB-CG 4.29Å; D570-K722 IonicContact OD2-NZ 2.82Å; D570-K722 PolarHBondContact OD2-NZ 2.81Å
723	P	96.7	Very high	95.4	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	148	-174.9	30.3	-37.7	0	0	0	111.8	T567 L677 Q718 I719 P809 L810	T567-P723 CarbonylContact O-C 3.56Å; T567-P723 VanDerWaalsContact O-CA 3.28Å; T567-P723 WeakPolarHBondContact O-CA 3.09Å; L677-P723 HydrophobicContact CD1-CB 4.18Å; L677-P723 HydrophobicContact CD2-CB 4Å; L677-P723 HydrophobicContact CD2-CG 3.97Å; L677-P723 HydrophobicContact CG-CB 4.35Å; Q718-P723 HydrophobicContact CG-CB 4.19Å; I719-P723 WeakPolarHBondContact O-CD 3.38Å; P723-P809 VanDerWaalsContact O-CD 3.3Å; P723-P809 WeakPolarHBondContact O-CD 3.36Å; P723-P809 WeakPolarHBondContact O-CG 3.33Å; P723-L810 HydrophobicContact CG-CD1 3.78Å; P723-L810 HydrophobicContact CG-CD2 4.26Å; P723-L810 HydrophobicContact CG-CG 3.97Å
724	R	97	Very high	95	Very high	32 Å²	32	11.4 Å²	11.4	12%	0.121	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	158.6	178.3	-69	-66.5	-179.9	-92.7	11.5	110.8	T567 C569 M804 D808	T567-R724 HydrophobicContact CG2-CB 3.91Å; T567-R724 PolarHBondContact N-O 3.17Å; T567-R724 PolarHBondContact O-N 2.9Å; C569-R724 HydrophobicContact CB-CG 3.96Å; R724-M804 HydrophobicContact CB-CG 3.8Å; R724-M804 HydrophobicContact CB-SD 4.02Å; R724-M804 HydrophobicContact CG-CG 4.1Å; R724-M804 HydrophobicContact CG-SD 3.82Å; R724-D808 IonicContact CZ-OD2 2.97Å; R724-D808 VanDerWaalsContact CZ-OD2 3.27Å; R724-D808 IonicContact NH1-OD1 3.77Å; R724-D808 PolarHBondContact NH1-OD1 3.3Å; R724-D808 IonicContact NH1-OD2 3.54Å; R724-D808 PolarHBondContact NH1-OD2 2.61Å; R724-D808 IonicContact NH2-OD2 3.61Å; R724-D808 PolarHBondContact NH2-OD2 3.26Å
725	L	96.4	Very high	94.3	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	142.2	166	-68.6	-177.9	0	0	0	109.6	F564 R565 E566 L677 M805 A816 L819 V820	F564-L725 HydrophobicContact CD1-CB 4.41Å; F564-L725 HydrophobicContact CD1-CD1 4.44Å; R565-L725 CarbonylContact O-C 3.59Å; R565-L725 WeakPolarHBondContact O-CA 3.27Å; E566-L725 HydrophobicContact CG-CD2 4.41Å; L677-L725 HydrophobicContact CD1-CD2 3.94Å; L677-L725 HydrophobicContact CD1-CG 4.45Å; L725-M805 HydrophobicContact CB-CG 4.27Å; L725-M805 HydrophobicContact CB-SD 3.94Å; L725-M805 HydrophobicContact CD1-SD 4.27Å; L725-M805 PolarHBondContact O-N 3.45Å; L725-A816 HydrophobicContact CD1-CB 4.47Å; L725-L819 HydrophobicContact CD1-CB 4.25Å; L725-V820 HydrophobicContact CD1-CG2 3.84Å; L725-V820 HydrophobicContact CD2-CG2 4.29Å; L725-V820 HydrophobicContact CG-CG2 4.22Å
726	L	95.5	Very high	93.7	Very high	10 Å²	10	12.3 Å²	12.3	5%	0.052	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	125.9	164.4	-63.4	173.4	0	0	0	108.4	F564 R565 T567 R683 W802 E803 M804	F564-L726 WeakPolarHBondContact CA-O 3.27Å; F564-L726 WeakPolarHBondContact CD1-O 3.24Å; R565-L726 HydrophobicContact CB-CB 4.07Å; R565-L726 HydrophobicContact CB-CD1 4.15Å; R565-L726 PolarHBondContact N-O 3.09Å; R565-L726 PolarHBondContact O-N 3.22Å; T567-L726 HydrophobicContact CG2-CD1 4.07Å; T567-L726 HydrophobicContact CG2-CD2 3.74Å; T567-L726 HydrophobicContact CG2-CG 3.6Å; R683-L726 HydrophobicContact CB-CD1 3.92Å; R683-L726 HydrophobicContact CG-CD1 3.93Å; L726-W802 HydrophobicContact CB-CB 4.2Å; L726-W802 HydrophobicContact CB-CE3 4.04Å; L726-W802 HydrophobicContact CD1-CB 4.22Å; L726-E803 CarbonylContact C-O 3.56Å; L726-E803 VanDerWaalsContact CA-O 3.27Å; L726-E803 WeakPolarHBondContact CA-O 3.13Å; L726-M804 HydrophobicContact CD2-CB 3.77Å; L726-M804 HydrophobicContact CD2-CG 4.26Å
727	E	93.9	Very high	93.1	Very high	8 Å²	8	14 Å²	14	4%	0.037	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	140.6	170.8	72.4	-173.5	122.7	0	0	110	F564 V729 R752 E803 M805	F564-E727 HydrophobicContact CD1-CB 3.94Å; F564-E727 HydrophobicContact CE1-CB 3.57Å; E727-V729 HydrophobicContact CG-CG2 4.46Å; E727-R752 IonicContact OE1-CZ 3.59Å; E727-R752 IonicContact OE1-NH2 2.77Å; E727-R752 PolarHBondContact OE1-NH2 2.81Å; E727-R752 IonicContact OE2-CZ 2.74Å; E727-R752 IonicContact OE2-NH1 3.86Å; E727-R752 PolarHBondContact OE2-NH1 3.34Å; E727-R752 IonicContact OE2-NH2 2.76Å; E727-R752 PolarHBondContact OE2-NH2 2.89Å; E727-E803 HydrophobicContact CG-CB 4.35Å; E727-E803 PolarHBondContact N-O 3.19Å; E727-E803 PolarHBondContact O-N 3.21Å; E727-M805 HydrophobicContact CB-CG 4.42Å; E727-M805 HydrophobicContact CG-CG 4.4Å
728	P	93.2	Very high	92.6	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.006	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	141.5	174.7	28.4	-25.4	0	0	0	109.8	V488 V562 V775 F799 W802	V488-P728 HydrophobicContact CB-CB 4.35Å; V488-P728 HydrophobicContact CB-CG 4.29Å; V488-P728 HydrophobicContact CG1-CB 4.02Å; V488-P728 HydrophobicContact CG1-CG 4.42Å; V562-P728 VanDerWaalsContact CG1-CD 3.47Å; V562-P728 HydrophobicContact CG1-CG 3.2Å; P728-V775 HydrophobicContact CB-CB 4.46Å; P728-V775 HydrophobicContact CB-CG2 3.87Å; P728-V775 HydrophobicContact CG-CB 4.01Å; P728-V775 HydrophobicContact CG-CG2 3.97Å; P728-V775 WeakPolarHBondContact O-CG2 3.24Å; P728-V775 PolarHBondContact O-N 3.4Å; P728-F799 HydrophobicContact CB-CD2 3.97Å; P728-F799 HydrophobicContact CB-CE2 3.6Å; P728-W802 HydrophobicContact CB-CD2 4.46Å; P728-W802 HydrophobicContact CB-CE3 3.9Å; P728-W802 HydrophobicContact CB-CH2 3.89Å; P728-W802 HydrophobicContact CB-CZ2 4.45Å; P728-W802 HydrophobicContact CB-CZ3 3.6Å; P728-W802 HydrophobicContact CG-CE3 4.41Å; P728-W802 HydrophobicContact CG-CH2 4.12Å; P728-W802 HydrophobicContact CG-CZ3 3.74Å
729	V	93.9	Very high	92.2	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	132.6	-178.3	179	0	0	0	0	109.8	E727 Y772 D800 H801 E803	E727-V729 HydrophobicContact CG-CG2 4.46Å; V729-Y772 HydrophobicContact CG1-CD1 4.19Å; V729-Y772 HydrophobicContact CG1-CG 4.27Å; V729-D800 PolarHBondContact O-N 3.08Å; V729-H801 PolarHBondContact N-O 2.84Å; V729-E803 HydrophobicContact CG2-CB 3.54Å; V729-E803 WeakPolarHBondContact CG2-OE2 3.14Å
730	Y	91.1	Very high	91.8	Very high	9 Å²	9	22.7 Å²	22.7	4%	0.035	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	138.8	168.6	-69.4	-38.8	0	0	0	110.7	V488 A533 Y772 L773 V775 S778 C797 V798 F799	V488-Y730 HydrophobicContact CG2-CE1 4.16Å; A533-Y730 PolarHBondContact O-OH 3.16Å; Y730-Y772 CarbonylContact O-C 3.55Å; Y730-Y772 WeakPolarHBondContact O-CA 3.32Å; Y730-L773 PolarHBondContact N-O 3.36Å; Y730-L773 PolarHBondContact O-N 3.35Å; Y730-V775 HydrophobicContact CD1-CG2 3.72Å; Y730-V775 HydrophobicContact CD2-CB 4.35Å; Y730-V775 HydrophobicContact CD2-CG1 4.47Å; Y730-V775 HydrophobicContact CD2-CG2 3.78Å; Y730-V775 HydrophobicContact CE1-CG1 4.49Å; Y730-V775 HydrophobicContact CE1-CG2 3.64Å; Y730-V775 HydrophobicContact CE2-CB 4.08Å; Y730-V775 HydrophobicContact CE2-CG1 3.72Å; Y730-V775 HydrophobicContact CE2-CG2 3.71Å; Y730-V775 HydrophobicContact CG-CG2 3.78Å; Y730-S778 WeakPolarHBondContact CE2-OG 3.44Å; Y730-C797 HydrophobicContact CD1-CB 4.4Å; Y730-C797 HydrophobicContact CD2-CB 3.65Å; Y730-C797 HydrophobicContact CE2-CB 4.15Å; Y730-C797 HydrophobicContact CG-CB 3.8Å; Y730-V798 CarbonylContact C-O 3.43Å; Y730-V798 WeakPolarHBondContact CA-O 3.47Å; Y730-V798 VanDerWaalsContact CD1-C 3.49Å; Y730-F799 HydrophobicContact CD1-CB 4.26Å; Y730-F799 HydrophobicContact CE1-CB 4.2Å
731	M	91.5	Very high	91.6	Very high	29 Å²	29	23 Å²	23	14%	0.143	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	125.4	151.4	-176.3	-173.5	66.2	0	0	108	V137 F756 K770 A771 Y772 C797 V798 D800	V137-M731 HydrophobicContact CG1-CE 3.79Å; V137-M731 HydrophobicContact CG2-CE 4.4Å; M731-F756 HydrophobicContact CG-CE1 4.41Å; M731-F756 HydrophobicContact CG-CZ 4.09Å; M731-F756 HydrophobicContact SD-CZ 4.21Å; M731-K770 HydrophobicContact SD-CD 4.32Å; M731-A771 CarbonylContact C-O 3.53Å; M731-A771 WeakPolarHBondContact CA-O 3.45Å; M731-Y772 HydrophobicContact CB-CD1 4.42Å; M731-Y772 HydrophobicContact CB-CE1 4.36Å; M731-C797 WeakPolarHBondContact O-CA 3.48Å; M731-V798 PolarHBondContact N-O 3.16Å; M731-V798 PolarHBondContact O-N 2.87Å; M731-D800 HydrophobicContact CB-CB 3.78Å
732	V	90.6	Very high	91.3	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	121.3	179.5	-174.2	0	0	0	0	109	I734 K770 A771 L773 F781 P795 Q796 C797	V732-I734 HydrophobicContact CG1-CD1 4.04Å; V732-I734 HydrophobicContact CG1-CG1 3.75Å; V732-K770 VanDerWaalsContact O-CA 3.31Å; V732-K770 WeakPolarHBondContact O-CA 3.19Å; V732-A771 PolarHBondContact N-O 3.49Å; V732-A771 PolarHBondContact O-N 3.22Å; V732-L773 HydrophobicContact CG2-CB 3.5Å; V732-L773 VanDerWaalsContact CG2-CB 3.5Å; V732-L773 HydrophobicContact CG2-CD2 3.82Å; V732-L773 HydrophobicContact CG2-CG 4.31Å; V732-F781 HydrophobicContact CG1-CE1 3.65Å; V732-F781 HydrophobicContact CG1-CZ 4.15Å; V732-P795 HydrophobicContact CG1-CB 3.87Å; V732-Q796 CarbonylContact C-O 3.36Å; V732-Q796 VanDerWaalsContact CA-O 3.25Å; V732-Q796 WeakPolarHBondContact CA-O 3.27Å; V732-C797 HydrophobicContact CG2-CB 4.47Å
733	E	87.4	Confident	91.2	Very high	11 Å²	11	22 Å²	22	5%	0.051	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	131.7	167.1	-170.7	-176.8	-165.4	0	0	109.6	V137 Q735 N768 I769 K770 P795 Q796	V137-E733 WeakPolarHBondContact CB-OE2 3.35Å; V137-E733 HydrophobicContact CG2-CB 4.32Å; V137-E733 VanDerWaalsContact CG2-CD 3.46Å; V137-E733 HydrophobicContact CG2-CG 4.32Å; V137-E733 WeakPolarHBondContact CG2-OE2 3.17Å; V137-E733 PolarHBondContact N-OE2 3.43Å; E733-Q735 PolarHBondContact OE1-NE2 3.01Å; E733-N768 PolarHBondContact OE1-ND2 3.18Å; E733-I769 CarbonylContact C-O 3.56Å; E733-I769 WeakPolarHBondContact CA-O 3.44Å; E733-K770 HydrophobicContact CG-CG 4.45Å; E733-P795 CarbonylContact O-C 3.52Å; E733-P795 WeakPolarHBondContact O-CA 3.22Å; E733-Q796 PolarHBondContact N-O 2.98Å; E733-Q796 PolarHBondContact O-N 3.39Å
734	I	89.4	Confident	91	Very high	1 Å²	1	22 Å²	22	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	127.7	178.7	-50.4	170.5	0	0	0	108.3	V732 I744 L748 I769 F781 L785 A793 P795	V732-I734 HydrophobicContact CG1-CD1 4.04Å; V732-I734 HydrophobicContact CG1-CG1 3.75Å; I734-I744 HydrophobicContact CD1-CG2 3.51Å; I734-I744 HydrophobicContact CG2-CD1 3.73Å; I734-I744 HydrophobicContact CG2-CG1 4.2Å; I734-I744 HydrophobicContact CG2-CG2 4.49Å; I734-L748 HydrophobicContact CD1-CD1 4.15Å; I734-I769 PolarHBondContact N-O 2.88Å; I734-I769 PolarHBondContact O-N 2.98Å; I734-F781 HydrophobicContact CD1-CZ 3.93Å; I734-L785 HydrophobicContact CD1-CD1 4.49Å; I734-L785 HydrophobicContact CD1-CD2 3.86Å; I734-L785 HydrophobicContact CG1-CD2 4.22Å; I734-L785 HydrophobicContact CG2-CD2 3.99Å; I734-A793 HydrophobicContact CG2-CB 3.69Å; I734-P795 HydrophobicContact CG1-CB 4.08Å
735	Q	83.9	Confident	90.9	Very high	32 Å²	32	23.9 Å²	23.9	15%	0.15	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	129.5	173.7	-56.8	-170.8	-0.3	0	0	109.5	C136 E733 Y767 N768	C136-Q735 PolarHBondContact SG-NE2 3.38Å; E733-Q735 PolarHBondContact OE1-NE2 3.01Å; Q735-Y767 WeakPolarHBondContact CA-O 3.45Å; Q735-N768 WeakPolarHBondContact CG-OD1 3.46Å; Q735-N768 PolarHBondContact NE2-ND2 3.17Å; Q735-N768 VanDerWaalsContact NE2-ND2 3.19Å
736	A	86.9	Confident	90.8	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.008	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	158.2	-176.8	0	0	0	0	0	112.4	A740 I744 L766 Y767 A793	A736-A740 HydrophobicContact CB-CB 3.95Å; A736-I744 HydrophobicContact CB-CD1 3.55Å; A736-L766 WeakPolarHBondContact O-CA 3.14Å; A736-Y767 PolarHBondContact N-O 3.18Å; A736-Y767 VanDerWaalsContact N-O 3.09Å; A736-Y767 PolarHBondContact O-N 2.96Å; A736-A793 HydrophobicContact CB-CB 3.95Å
737	P	85.2	Confident	90.8	Very high	34 Å²	34	26.4 Å²	26.4	22%	0.221	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	157.5	168.3	30.2	-35.3	0	0	0	111.8	G739 A740 L766 Q792	P737-G739 PolarHBondContact O-N 2.88Å; P737-G739 VanDerWaalsContact O-N 3.11Å; P737-A740 HydrophobicContact CG-CB 4.25Å; P737-A740 WeakPolarHBondContact O-CB 3.4Å; P737-A740 PolarHBondContact O-N 3.48Å; P737-L766 HydrophobicContact CB-CD2 4.41Å; P737-Q792 HydrophobicContact CG-CB 4.04Å; P737-Q792 HydrophobicContact CG-CG 4.48Å
738	E	87.7	Confident	90.9	Very high	123 Å²	123	26 Å²	26	58%	0.575	17%	0.171	S	C	*	.	G	3₁₀ helix	trans	-50.2	-40	-179.3	-166.6	-179.8	172.8	0	0	113.6	A740 L741 P765 Y767	E738-A740 PolarHBondContact O-N 3Å; E738-A740 VanDerWaalsContact O-N 3.14Å; E738-L741 HydrophobicContact CG-CD1 4.22Å; E738-L741 WeakPolarHBondContact O-CB 3.48Å; E738-L741 VanDerWaalsContact O-CG 3.28Å; E738-L741 WeakPolarHBondContact O-CG 3.23Å; E738-L741 PolarHBondContact O-N 3.35Å; E738-L741 VanDerWaalsContact O-N 3.16Å; E738-P765 PolarHBondContact N-O 3.46Å; E738-Y767 HydrophobicContact CB-CD2 4.1Å; E738-Y767 HydrophobicContact CB-CE2 3.71Å; E738-Y767 HydrophobicContact CG-CE2 3.83Å
739	G	88.3	Confident	90.9	Very high	76 Å²	76	31.3 Å²	31.3	78%	0.784	20%	0.199	S	C	*	.	G	3₁₀ helix	trans	-63.8	-18.6	179.9	0	0	0	0	0	114.9	P737	P737-G739 PolarHBondContact O-N 2.88Å; P737-G739 VanDerWaalsContact O-N 3.11Å
740	A	90.1	Very high	90.8	Very high	5 Å²	5	37.8 Å²	37.8	4%	0.041	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-92.1	-12.6	179.3	0	0	0	0	0	113.3	A736 P737 E738 G742 G743 I744 T789 Q792	A736-A740 HydrophobicContact CB-CB 3.95Å; P737-A740 HydrophobicContact CG-CB 4.25Å; P737-A740 WeakPolarHBondContact O-CB 3.4Å; P737-A740 PolarHBondContact O-N 3.48Å; E738-A740 PolarHBondContact O-N 3Å; E738-A740 VanDerWaalsContact O-N 3.14Å; A740-G742 VanDerWaalsContact C-N 3.35Å; A740-G742 PolarHBondContact O-N 3.46Å; A740-G743 PolarHBondContact O-N 3.35Å; A740-I744 PolarHBondContact O-N 3.47Å; A740-T789 HydrophobicContact CB-CG2 4.06Å; A740-Q792 HydrophobicContact CB-CB 4.25Å
741	L	91.3	Very high	90.9	Very high	17 Å²	17	38.2 Å²	38.2	9%	0.089	23%	0.231	C	C	.	.	H	α-helix	trans	-57.6	-43.2	-173.7	-64.4	-176.1	0	0	0	113	E738 G743 I744 Y745 Y767 I769	E738-L741 HydrophobicContact CG-CD1 4.22Å; E738-L741 WeakPolarHBondContact O-CB 3.48Å; E738-L741 VanDerWaalsContact O-CG 3.28Å; E738-L741 WeakPolarHBondContact O-CG 3.23Å; E738-L741 PolarHBondContact O-N 3.35Å; E738-L741 VanDerWaalsContact O-N 3.16Å; L741-G743 VanDerWaalsContact C-N 3.25Å; L741-G743 PolarHBondContact O-N 3.43Å; L741-I744 HydrophobicContact CD2-CD1 4.13Å; L741-I744 WeakPolarHBondContact O-CB 3.33Å; L741-I744 PolarHBondContact O-N 2.92Å; L741-Y745 VanDerWaalsContact O-CD2 3.27Å; L741-Y745 WeakPolarHBondContact O-CD2 3.42Å; L741-Y745 PolarHBondContact O-N 3Å; L741-Y767 HydrophobicContact CD1-CD1 3.87Å; L741-Y767 HydrophobicContact CD1-CD2 4.15Å; L741-Y767 HydrophobicContact CD1-CE1 4.14Å; L741-Y767 HydrophobicContact CD1-CE2 4.44Å; L741-Y767 HydrophobicContact CD1-CG 3.87Å; L741-Y767 HydrophobicContact CD2-CG 4.25Å; L741-I769 HydrophobicContact CD2-CD1 3.51Å; L741-I769 HydrophobicContact CD2-CG1 4.28Å
742	G	92.2	Very high	91	Very high	56 Å²	56	41.4 Å²	41.4	58%	0.577	24%	0.241	S	C	*	.	H	α-helix	trans	-59	-36.4	178	0	0	0	0	0	113.1	A740 S746	A740-G742 VanDerWaalsContact C-N 3.35Å; A740-G742 PolarHBondContact O-N 3.46Å; G742-S746 WeakPolarHBondContact O-CB 3.36Å; G742-S746 PolarHBondContact O-N 3.26Å; G742-S746 VanDerWaalsContact O-N 3.17Å
743	G	93.3	Very high	91.1	Very high	17 Å²	17	41.7 Å²	41.7	18%	0.175	24%	0.244	C	C	.	.	H	α-helix	trans	-67.1	-40.9	174	0	0	0	0	0	112.3	A740 L741 S746 V747	A740-G743 PolarHBondContact O-N 3.35Å; L741-G743 VanDerWaalsContact C-N 3.25Å; L741-G743 PolarHBondContact O-N 3.43Å; G743-S746 PolarHBondContact O-N 3.24Å; G743-V747 WeakPolarHBondContact O-CG2 3.36Å; G743-V747 PolarHBondContact O-N 3.4Å; G743-V747 VanDerWaalsContact O-N 3.14Å
744	I	93	Very high	91.5	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-61.8	-51.9	178	-61.3	168.6	0	0	0	111	I734 A736 A740 L741 S746 V747 L748 I769 L785 T789 A793	I734-I744 HydrophobicContact CD1-CG2 3.51Å; I734-I744 HydrophobicContact CG2-CD1 3.73Å; I734-I744 HydrophobicContact CG2-CG1 4.2Å; I734-I744 HydrophobicContact CG2-CG2 4.49Å; A736-I744 HydrophobicContact CB-CD1 3.55Å; A740-I744 PolarHBondContact O-N 3.47Å; L741-I744 HydrophobicContact CD2-CD1 4.13Å; L741-I744 WeakPolarHBondContact O-CB 3.33Å; L741-I744 PolarHBondContact O-N 2.92Å; I744-S746 VanDerWaalsContact C-N 3.31Å; I744-S746 PolarHBondContact O-N 3.2Å; I744-V747 PolarHBondContact O-N 3.07Å; I744-L748 HydrophobicContact CG2-CD1 3.81Å; I744-L748 HydrophobicContact CG2-CG 4.43Å; I744-L748 PolarHBondContact O-N 3.46Å; I744-I769 HydrophobicContact CB-CD1 4.22Å; I744-I769 HydrophobicContact CD1-CD1 3.97Å; I744-I769 HydrophobicContact CG2-CD1 3.78Å; I744-L785 HydrophobicContact CB-CD1 4.25Å; I744-L785 HydrophobicContact CG1-CD1 3.97Å; I744-L785 HydrophobicContact CG2-CD1 4.36Å; I744-T789 HydrophobicContact CG1-CG2 3.93Å; I744-A793 HydrophobicContact CD1-CB 4.15Å; I744-A793 HydrophobicContact CG1-CB 4.19Å
745	Y	94.8	Very high	91.7	Very high	70 Å²	70	48.4 Å²	48.4	28%	0.275	28%	0.278	S	S	.	.	H	α-helix	trans	-59.6	-41	179.1	-82.8	-70.7	0	0	0	112.6	L741 N749 V755 E758 I769	L741-Y745 VanDerWaalsContact O-CD2 3.27Å; L741-Y745 WeakPolarHBondContact O-CD2 3.42Å; L741-Y745 PolarHBondContact O-N 3Å; Y745-N749 WeakPolarHBondContact O-CB 3.37Å; Y745-N749 VanDerWaalsContact O-CG 3.3Å; Y745-N749 PolarHBondContact O-N 3.08Å; Y745-N749 PolarHBondContact O-ND2 2.8Å; Y745-N749 VanDerWaalsContact O-ND2 3.15Å; Y745-V755 HydrophobicContact CD1-CG2 4Å; Y745-V755 HydrophobicContact CE1-CB 3.92Å; Y745-V755 HydrophobicContact CE1-CG1 4.03Å; Y745-V755 HydrophobicContact CE1-CG2 3.64Å; Y745-E758 WeakPolarHBondContact CE2-OE2 3.38Å; Y745-E758 PolarHBondContact OH-OE2 3.44Å; Y745-I769 HydrophobicContact CE2-CD1 4.28Å
746	S	94.6	Very high	92.2	Very high	58 Å²	58	50.5 Å²	50.5	41%	0.406	29%	0.286	S	S	.	.	H	α-helix	trans	-60.2	-48.2	177.6	-175.2	0	0	0	0	111.7	G742 G743 I744 Q750	G742-S746 WeakPolarHBondContact O-CB 3.36Å; G742-S746 PolarHBondContact O-N 3.26Å; G742-S746 VanDerWaalsContact O-N 3.17Å; G743-S746 PolarHBondContact O-N 3.24Å; I744-S746 VanDerWaalsContact C-N 3.31Å; I744-S746 PolarHBondContact O-N 3.2Å; S746-Q750 VanDerWaalsContact O-CG 3.24Å; S746-Q750 WeakPolarHBondContact O-CG 3.37Å; S746-Q750 PolarHBondContact O-N 3.25Å; S746-Q750 PolarHBondContact OG-NE2 3.35Å
747	V	95	Very high	92.5	Very high	6 Å²	6	53.8 Å²	53.8	4%	0.036	30%	0.302	C	S	.	.	H	α-helix	trans	-69.2	-42.5	-178.2	179.1	0	0	0	0	111.6	G743 I744 Q750 K751 F781 Q784 L785 A788	G743-V747 WeakPolarHBondContact O-CG2 3.36Å; G743-V747 PolarHBondContact O-N 3.4Å; G743-V747 VanDerWaalsContact O-N 3.14Å; I744-V747 PolarHBondContact O-N 3.07Å; V747-Q750 PolarHBondContact O-N 2.84Å; V747-K751 HydrophobicContact CG1-CD 4.31Å; V747-K751 PolarHBondContact O-N 3.26Å; V747-F781 HydrophobicContact CG1-CD2 3.74Å; V747-F781 HydrophobicContact CG1-CE2 3.69Å; V747-Q784 HydrophobicContact CG1-CB 4.21Å; V747-L785 HydrophobicContact CB-CD1 4.26Å; V747-A788 HydrophobicContact CG2-CB 3.57Å
748	L	94.9	Very high	92.8	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-61.1	-48.7	177.4	-76.3	171.8	0	0	0	111.4	I734 I744 Q750 K751 R752 G753 V755 I769 A771 F781	I734-L748 HydrophobicContact CD1-CD1 4.15Å; I744-L748 HydrophobicContact CG2-CD1 3.81Å; I744-L748 HydrophobicContact CG2-CG 4.43Å; I744-L748 PolarHBondContact O-N 3.46Å; L748-Q750 VanDerWaalsContact C-N 3.3Å; L748-Q750 PolarHBondContact O-N 3.01Å; L748-K751 CarbonylContact O-C 3.12Å; L748-K751 PolarHBondContact O-N 2.75Å; L748-R752 PolarHBondContact O-N 2.88Å; L748-G753 WeakPolarHBondContact O-CA 3.41Å; L748-G753 PolarHBondContact O-N 3.28Å; L748-V755 HydrophobicContact CD1-CG2 3.52Å; L748-I769 HydrophobicContact CD1-CG2 4.49Å; L748-A771 HydrophobicContact CD1-CB 3.79Å; L748-A771 HydrophobicContact CD2-CB 4.1Å; L748-F781 HydrophobicContact CD2-CE2 3.84Å; L748-F781 HydrophobicContact CD2-CZ 3.7Å; L748-F781 HydrophobicContact CG-CE2 4.34Å; L748-F781 HydrophobicContact CG-CZ 4.36Å
749	N	93.1	Very high	92.9	Very high	112 Å²	112	55.9 Å²	55.9	60%	0.599	31%	0.31	S	S	*	.	H	α-helix	trans	-61.8	-36.4	-179.9	-76	-31.3	0	0	0	112.8	Y745 K751	Y745-N749 WeakPolarHBondContact O-CB 3.37Å; Y745-N749 VanDerWaalsContact O-CG 3.3Å; Y745-N749 PolarHBondContact O-N 3.08Å; Y745-N749 PolarHBondContact O-ND2 2.8Å; Y745-N749 VanDerWaalsContact O-ND2 3.15Å; N749-K751 PolarHBondContact O-N 2.75Å
750	Q	93.7	Very high	92.6	Very high	135 Å²	135	57.1 Å²	57.1	63%	0.631	30%	0.295	S	S	*	.	H	α-helix	trans	-64.5	-25.4	175.5	-74.2	172	21.8	0	0	113	S746 V747 L748	S746-Q750 VanDerWaalsContact O-CG 3.24Å; S746-Q750 WeakPolarHBondContact O-CG 3.37Å; S746-Q750 PolarHBondContact O-N 3.25Å; S746-Q750 PolarHBondContact OG-NE2 3.35Å; V747-Q750 PolarHBondContact O-N 2.84Å; L748-Q750 VanDerWaalsContact C-N 3.3Å; L748-Q750 PolarHBondContact O-N 3.01Å
751	K	92.4	Very high	91.7	Very high	18 Å²	18	58.4 Å²	58.4	8%	0.078	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	26.4	-174.6	-78.7	178.9	165.7	-69.2	0	113.1	V747 L748 N749 G753 L773 E777 F779 F781	V747-K751 HydrophobicContact CG1-CD 4.31Å; V747-K751 PolarHBondContact O-N 3.26Å; L748-K751 CarbonylContact O-C 3.12Å; L748-K751 PolarHBondContact O-N 2.75Å; N749-K751 PolarHBondContact O-N 2.75Å; K751-G753 PolarHBondContact O-N 2.6Å; K751-L773 HydrophobicContact CB-CD1 3.86Å; K751-L773 VanDerWaalsContact O-CD1 3.3Å; K751-L773 WeakPolarHBondContact O-CD1 3.33Å; K751-E777 HydrophobicContact CB-CB 3.97Å; K751-E777 VanDerWaalsContact CD-O 3.29Å; K751-E777 WeakPolarHBondContact CD-O 3.5Å; K751-E777 WeakPolarHBondContact CE-O 3.29Å; K751-E777 HydrophobicContact CG-CB 4.46Å; K751-E777 PolarHBondContact NZ-O 2.97Å; K751-E777 WeakPolarHBondContact O-CB 3.37Å; K751-E777 VanDerWaalsContact O-CG 3.3Å; K751-E777 WeakPolarHBondContact O-CG 3.06Å; K751-F779 PolarHBondContact NZ-O 3.34Å; K751-F781 HydrophobicContact CD-CB 4.25Å; K751-F781 HydrophobicContact CD-CD2 3.75Å; K751-F781 HydrophobicContact CD-CG 4.45Å
752	R	93.1	Very high	90.7	Very high	96 Å²	96	61.3 Å²	61.3	36%	0.362	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	22.5	-176.5	-58	166.3	46.8	-158.8	-6.7	113.8	E727 L748 P774 E777	E727-R752 IonicContact OE1-CZ 3.59Å; E727-R752 IonicContact OE1-NH2 2.77Å; E727-R752 PolarHBondContact OE1-NH2 2.81Å; E727-R752 IonicContact OE2-CZ 2.74Å; E727-R752 IonicContact OE2-NH1 3.86Å; E727-R752 PolarHBondContact OE2-NH1 3.34Å; E727-R752 IonicContact OE2-NH2 2.76Å; E727-R752 PolarHBondContact OE2-NH2 2.89Å; L748-R752 PolarHBondContact O-N 2.88Å; R752-P774 HydrophobicContact CB-CG 4.23Å; R752-E777 HydrophobicContact CB-CG 4.36Å; R752-E777 HydrophobicContact CG-CG 4.44Å
753	G	93.8	Very high	89.4	Confident	6 Å²	6	61.5 Å²	61.5	6%	0.062	32%	0.321	C	S	.	.			trans	-75.1	142.6	177.5	0	0	0	0	0	111.5	L748 K751 Y772	L748-G753 WeakPolarHBondContact O-CA 3.41Å; L748-G753 PolarHBondContact O-N 3.28Å; K751-G753 PolarHBondContact O-N 2.6Å; G753-Y772 CarbonylContact C-O 3.53Å; G753-Y772 WeakPolarHBondContact CA-O 3.46Å
754	H	93.9	Very high	88.2	Confident	121 Å²	121	62.1 Å²	62.1	56%	0.56	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.4	110	179.2	179.6	65.8	0	0	0	110.7	A771 Y772	H754-A771 CarbonylContact O-C 3.6Å; H754-A771 WeakPolarHBondContact O-CA 3.42Å; H754-A771 WeakPolarHBondContact O-CB 3.37Å; H754-Y772 PolarHBondContact N-O 2.85Å; H754-Y772 PolarHBondContact O-N 3.48Å
755	V	95.1	Very high	87.3	Confident	32 Å²	32	66.6 Å²	66.6	19%	0.194	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	125.2	174	177.5	0	0	0	0	109.3	Y745 L748 I769 A771	Y745-V755 HydrophobicContact CD1-CG2 4Å; Y745-V755 HydrophobicContact CE1-CB 3.92Å; Y745-V755 HydrophobicContact CE1-CG1 4.03Å; Y745-V755 HydrophobicContact CE1-CG2 3.64Å; L748-V755 HydrophobicContact CD1-CG2 3.52Å; V755-I769 HydrophobicContact CG1-CG2 3.83Å; V755-I769 HydrophobicContact CG2-CG2 3.95Å; V755-A771 HydrophobicContact CB-CB 4.49Å; V755-A771 HydrophobicContact CG2-CB 4Å
756	F	94.2	Very high	86.7	Confident	76 Å²	76	65.2 Å²	65.2	33%	0.333	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	-14.1	178.4	63.1	-99.2	0	0	0	113.1	M731 K770 Y772	M731-F756 HydrophobicContact CG-CE1 4.41Å; M731-F756 HydrophobicContact CG-CZ 4.09Å; M731-F756 HydrophobicContact SD-CZ 4.21Å; F756-K770 HydrophobicContact CD2-CB 4.45Å; F756-K770 HydrophobicContact CE1-CB 4.11Å; F756-K770 HydrophobicContact CE2-CB 3.69Å; F756-K770 HydrophobicContact CE2-CD 4.25Å; F756-K770 HydrophobicContact CZ-CB 3.5Å; F756-K770 VanDerWaalsContact CZ-CB 3.5Å; F756-K770 HydrophobicContact CZ-CD 4.35Å; F756-K770 PolarHBondContact N-O 3.14Å; F756-K770 VanDerWaalsContact N-O 3.07Å; F756-Y772 HydrophobicContact CD1-CD1 4.38Å; F756-Y772 AromaticContact CD1-CD2 3.6Å; F756-Y772 HydrophobicContact CD1-CD2 3.6Å; F756-Y772 HydrophobicContact CD1-CE1 4.35Å; F756-Y772 AromaticContact CD1-CE2 3.56Å; F756-Y772 HydrophobicContact CD1-CE2 3.56Å; F756-Y772 HydrophobicContact CD1-CG 4.01Å; F756-Y772 AromaticContact CD1-CZ 3.95Å; F756-Y772 AromaticContact CE1-CD1 3.78Å; F756-Y772 HydrophobicContact CE1-CD1 3.78Å; F756-Y772 AromaticContact CE1-CD2 3.84Å; F756-Y772 HydrophobicContact CE1-CD2 3.84Å; F756-Y772 AromaticContact CE1-CE1 3.63Å; F756-Y772 HydrophobicContact CE1-CE1 3.63Å; F756-Y772 AromaticContact CE1-CE2 3.69Å; F756-Y772 HydrophobicContact CE1-CE2 3.69Å; F756-Y772 AromaticContact CE1-CG 3.87Å; F756-Y772 HydrophobicContact CE1-CG 3.87Å; F756-Y772 AromaticContact CE1-CZ 3.57Å; F756-Y772 HydrophobicContact CG-CE2 4.24Å; F756-Y772 HydrophobicContact CZ-CE1 4.14Å; F756-Y772 HydrophobicContact CZ-CE2 4.47Å
757	E	93	Very high	86.4	Confident	71 Å²	71	63.8 Å²	63.8	33%	0.332	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	130.4	177.2	-164.3	-175.4	146.6	0	0	110.3	I769 K770	E757-I769 WeakPolarHBondContact O-CA 3.35Å; E757-K770 HydrophobicContact CB-CB 4.05Å; E757-K770 HydrophobicContact CB-CG 4.44Å; E757-K770 PolarHBondContact N-O 2.83Å; E757-K770 PolarHBondContact O-N 3.25Å; E757-K770 IonicContact OE1-NZ 2.85Å; E757-K770 PolarHBondContact OE1-NZ 3.19Å; E757-K770 WeakPolarHBondContact OE2-CD 3.18Å; E757-K770 WeakPolarHBondContact OE2-CE 3.44Å; E757-K770 IonicContact OE2-NZ 3.4Å; E757-K770 PolarHBondContact OE2-NZ 3Å
758	E	92.3	Very high	86	Confident	93 Å²	93	64.4 Å²	64.4	44%	0.435	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	122.1	168.2	-179.1	-171.5	132.6	0	0	108	Y745 Y767 I769	Y745-E758 WeakPolarHBondContact CE2-OE2 3.38Å; Y745-E758 PolarHBondContact OH-OE2 3.44Å; E758-Y767 HydrophobicContact CG-CD1 4.04Å; E758-I769 HydrophobicContact CG-CG1 4.25Å
759	M	87.9	Confident	85.8	Confident	108 Å²	108	64.5 Å²	64.5	53%	0.532	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	122.9	-179.6	-168.6	178.3	-177.4	0	0	110.8	Y767 N768	M759-Y767 WeakPolarHBondContact O-CA 3.23Å; M759-N768 PolarHBondContact N-O 2.88Å; M759-N768 PolarHBondContact O-N 3.43Å
760	Q	83.3	Confident	85.8	Confident	102 Å²	102	61.4 Å²	61.4	48%	0.477	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	130.5	167.7	-171.2	177.5	29.9	0	0	109.5	P762 Y767	Q760-P762 WeakPolarHBondContact O-CD 3.28Å; Q760-Y767 HydrophobicContact CB-CD1 4.02Å; Q760-Y767 HydrophobicContact CB-CE1 3.63Å; Q760-Y767 HydrophobicContact CB-CE2 4.24Å; Q760-Y767 HydrophobicContact CB-CG 4.49Å; Q760-Y767 HydrophobicContact CG-CD2 4.28Å; Q760-Y767 HydrophobicContact CG-CE1 4.11Å; Q760-Y767 HydrophobicContact CG-CE2 3.78Å
761	R	72	Confident	85.9	Confident	31 Å²	31	55 Å²	55	12%	0.117	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-76.3	117.7	175.9	-81.3	-173.9	163.6	170.6	-7.1	110.5	E133 C136 G763 T764 L766 N768	E133-R761 PolarHBondContact O-NH1 3.27Å; E133-R761 PolarHBondContact O-NH2 2.79Å; C136-R761 PolarHBondContact SG-NH2 2.97Å; R761-G763 PolarHBondContact O-N 3.17Å; R761-T764 WeakPolarHBondContact CB-OG1 3.32Å; R761-T764 PolarHBondContact O-N 3.25Å; R761-T764 VanDerWaalsContact O-N 3.12Å; R761-T764 PolarHBondContact O-OG1 3.16Å; R761-L766 WeakPolarHBondContact CB-O 3.3Å; R761-L766 PolarHBondContact N-O 3.34Å; R761-N768 WeakPolarHBondContact CD-OD1 3.38Å; R761-N768 VanDerWaalsContact CZ-OD1 3.3Å; R761-N768 PolarHBondContact NE-ND2 2.79Å; R761-N768 PolarHBondContact NE-OD1 3.08Å; R761-N768 VanDerWaalsContact NE-OD1 3.07Å; R761-N768 PolarHBondContact NH2-ND2 2.9Å; R761-N768 VanDerWaalsContact NH2-ND2 3.1Å
762	P	69.1	Low	86.1	Confident	78 Å²	78	57.7 Å²	57.7	51%	0.506	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	132.8	-174.5	-5.4	15.2	0	0	0	111.4	R180 Q760 T764	R180-P762 VanDerWaalsContact NH1-CB 3.3Å; R180-P762 PolarHBondContact NH1-O 2.75Å; Q760-P762 WeakPolarHBondContact O-CD 3.28Å; P762-T764 VanDerWaalsContact C-N 3.33Å
763	G	64.2	Low	86.2	Confident	61 Å²	61	53.1 Å²	53.1	63%	0.629	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.7	0.3	-176.9	0	0	0	0	0	114.6	R761	R761-G763 PolarHBondContact O-N 3.17Å
764	T	69.5	Low	86.2	Confident	29 Å²	29	53 Å²	53	18%	0.178	28%	0.28	C	S	.	.	S	Bend	trans	-132.9	155.1	175.1	72.3	0	0	0	0	110.5	I132 R761 P762 L766	I132-T764 HydrophobicContact CG2-CG2 4.36Å; R761-T764 WeakPolarHBondContact CB-OG1 3.32Å; R761-T764 PolarHBondContact O-N 3.25Å; R761-T764 VanDerWaalsContact O-N 3.12Å; R761-T764 PolarHBondContact O-OG1 3.16Å; P762-T764 VanDerWaalsContact C-N 3.33Å; T764-L766 PolarHBondContact O-N 2.89Å; T764-L766 PolarHBondContact OG1-N 3.11Å
765	P	73.8	Confident	86.1	Confident	95 Å²	95	47.2 Å²	47.2	62%	0.617	25%	0.253	S	S	*	.	S	Bend	trans	-79.1	11.1	173.8	34.3	-36.5	0	0	0	113.2	E738	E738-P765 PolarHBondContact N-O 3.46Å
766	L	82.3	Confident	85.8	Confident	42 Å²	42	48.1 Å²	48.1	22%	0.22	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	147	-175.6	-61.8	175.3	0	0	0	111.3	A736 P737 R761 T764	A736-L766 WeakPolarHBondContact O-CA 3.14Å; P737-L766 HydrophobicContact CB-CD2 4.41Å; R761-L766 WeakPolarHBondContact CB-O 3.3Å; R761-L766 PolarHBondContact N-O 3.34Å; T764-L766 PolarHBondContact O-N 2.89Å; T764-L766 PolarHBondContact OG1-N 3.11Å
767	Y	87.5	Confident	85.7	Confident	27 Å²	27	47.2 Å²	47.2	11%	0.106	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	141.8	174.2	-78.3	-107.7	0	0	0	109.1	Q735 A736 E738 L741 E758 M759 Q760	Q735-Y767 WeakPolarHBondContact CA-O 3.45Å; A736-Y767 PolarHBondContact N-O 3.18Å; A736-Y767 VanDerWaalsContact N-O 3.09Å; A736-Y767 PolarHBondContact O-N 2.96Å; E738-Y767 HydrophobicContact CB-CD2 4.1Å; E738-Y767 HydrophobicContact CB-CE2 3.71Å; E738-Y767 HydrophobicContact CG-CE2 3.83Å; L741-Y767 HydrophobicContact CD1-CD1 3.87Å; L741-Y767 HydrophobicContact CD1-CD2 4.15Å; L741-Y767 HydrophobicContact CD1-CE1 4.14Å; L741-Y767 HydrophobicContact CD1-CE2 4.44Å; L741-Y767 HydrophobicContact CD1-CG 3.87Å; L741-Y767 HydrophobicContact CD2-CG 4.25Å; E758-Y767 HydrophobicContact CG-CD1 4.04Å; M759-Y767 WeakPolarHBondContact O-CA 3.23Å; Q760-Y767 HydrophobicContact CB-CD1 4.02Å; Q760-Y767 HydrophobicContact CB-CE1 3.63Å; Q760-Y767 HydrophobicContact CB-CE2 4.24Å; Q760-Y767 HydrophobicContact CB-CG 4.49Å; Q760-Y767 HydrophobicContact CG-CD2 4.28Å; Q760-Y767 HydrophobicContact CG-CE1 4.11Å; Q760-Y767 HydrophobicContact CG-CE2 3.78Å
768	N	86.3	Confident	85.4	Confident	20 Å²	20	44.3 Å²	44.3	11%	0.107	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	124.6	167.9	-75.8	26.3	0	0	0	108.4	E733 Q735 M759 R761	E733-N768 PolarHBondContact OE1-ND2 3.18Å; Q735-N768 WeakPolarHBondContact CG-OD1 3.46Å; Q735-N768 PolarHBondContact NE2-ND2 3.17Å; Q735-N768 VanDerWaalsContact NE2-ND2 3.19Å; M759-N768 PolarHBondContact N-O 2.88Å; M759-N768 PolarHBondContact O-N 3.43Å; R761-N768 WeakPolarHBondContact CD-OD1 3.38Å; R761-N768 VanDerWaalsContact CZ-OD1 3.3Å; R761-N768 PolarHBondContact NE-ND2 2.79Å; R761-N768 PolarHBondContact NE-OD1 3.08Å; R761-N768 VanDerWaalsContact NE-OD1 3.07Å; R761-N768 PolarHBondContact NH2-ND2 2.9Å; R761-N768 VanDerWaalsContact NH2-ND2 3.1Å
769	I	91.8	Very high	85.2	Confident	1 Å²	1	42 Å²	42	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	132.9	172.6	-67.9	172.4	0	0	0	108.2	E733 I734 L741 I744 Y745 L748 V755 E757 E758	E733-I769 CarbonylContact C-O 3.56Å; E733-I769 WeakPolarHBondContact CA-O 3.44Å; I734-I769 PolarHBondContact N-O 2.88Å; I734-I769 PolarHBondContact O-N 2.98Å; L741-I769 HydrophobicContact CD2-CD1 3.51Å; L741-I769 HydrophobicContact CD2-CG1 4.28Å; I744-I769 HydrophobicContact CB-CD1 4.22Å; I744-I769 HydrophobicContact CD1-CD1 3.97Å; I744-I769 HydrophobicContact CG2-CD1 3.78Å; Y745-I769 HydrophobicContact CE2-CD1 4.28Å; L748-I769 HydrophobicContact CD1-CG2 4.49Å; V755-I769 HydrophobicContact CG1-CG2 3.83Å; V755-I769 HydrophobicContact CG2-CG2 3.95Å; E757-I769 WeakPolarHBondContact O-CA 3.35Å; E758-I769 HydrophobicContact CG-CG1 4.25Å
770	K	93.3	Very high	85	Confident	47 Å²	47	38 Å²	38	20%	0.204	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	134.8	163.9	-54.2	-174.4	-165.4	142.2	0	111	M731 V732 E733 F756 E757	M731-K770 HydrophobicContact SD-CD 4.32Å; V732-K770 VanDerWaalsContact O-CA 3.31Å; V732-K770 WeakPolarHBondContact O-CA 3.19Å; E733-K770 HydrophobicContact CG-CG 4.45Å; F756-K770 HydrophobicContact CD2-CB 4.45Å; F756-K770 HydrophobicContact CE1-CB 4.11Å; F756-K770 HydrophobicContact CE2-CB 3.69Å; F756-K770 HydrophobicContact CE2-CD 4.25Å; F756-K770 HydrophobicContact CZ-CB 3.5Å; F756-K770 VanDerWaalsContact CZ-CB 3.5Å; F756-K770 HydrophobicContact CZ-CD 4.35Å; F756-K770 PolarHBondContact N-O 3.14Å; F756-K770 VanDerWaalsContact N-O 3.07Å; E757-K770 HydrophobicContact CB-CB 4.05Å; E757-K770 HydrophobicContact CB-CG 4.44Å; E757-K770 PolarHBondContact N-O 2.83Å; E757-K770 PolarHBondContact O-N 3.25Å; E757-K770 IonicContact OE1-NZ 2.85Å; E757-K770 PolarHBondContact OE1-NZ 3.19Å; E757-K770 WeakPolarHBondContact OE2-CD 3.18Å; E757-K770 WeakPolarHBondContact OE2-CE 3.44Å; E757-K770 IonicContact OE2-NZ 3.4Å; E757-K770 PolarHBondContact OE2-NZ 3Å
771	A	95.9	Very high	85.2	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	153.2	-178.8	0	0	0	0	0	111.5	M731 V732 L748 H754 V755	M731-A771 CarbonylContact C-O 3.53Å; M731-A771 WeakPolarHBondContact CA-O 3.45Å; V732-A771 PolarHBondContact N-O 3.49Å; V732-A771 PolarHBondContact O-N 3.22Å; L748-A771 HydrophobicContact CD1-CB 3.79Å; L748-A771 HydrophobicContact CD2-CB 4.1Å; H754-A771 CarbonylContact O-C 3.6Å; H754-A771 WeakPolarHBondContact O-CA 3.42Å; H754-A771 WeakPolarHBondContact O-CB 3.37Å; V755-A771 HydrophobicContact CB-CB 4.49Å; V755-A771 HydrophobicContact CG2-CB 4Å
772	Y	96.3	Very high	85.8	Confident	75 Å²	75	34 Å²	34	29%	0.294	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	137	164.3	-66	-50.7	0	0	0	109.9	V729 Y730 M731 G753 H754 F756 H801	V729-Y772 HydrophobicContact CG1-CD1 4.19Å; V729-Y772 HydrophobicContact CG1-CG 4.27Å; Y730-Y772 CarbonylContact O-C 3.55Å; Y730-Y772 WeakPolarHBondContact O-CA 3.32Å; M731-Y772 HydrophobicContact CB-CD1 4.42Å; M731-Y772 HydrophobicContact CB-CE1 4.36Å; G753-Y772 CarbonylContact C-O 3.53Å; G753-Y772 WeakPolarHBondContact CA-O 3.46Å; H754-Y772 PolarHBondContact N-O 2.85Å; H754-Y772 PolarHBondContact O-N 3.48Å; F756-Y772 HydrophobicContact CD1-CD1 4.38Å; F756-Y772 AromaticContact CD1-CD2 3.6Å; F756-Y772 HydrophobicContact CD1-CD2 3.6Å; F756-Y772 HydrophobicContact CD1-CE1 4.35Å; F756-Y772 AromaticContact CD1-CE2 3.56Å; F756-Y772 HydrophobicContact CD1-CE2 3.56Å; F756-Y772 HydrophobicContact CD1-CG 4.01Å; F756-Y772 AromaticContact CD1-CZ 3.95Å; F756-Y772 AromaticContact CE1-CD1 3.78Å; F756-Y772 HydrophobicContact CE1-CD1 3.78Å; F756-Y772 AromaticContact CE1-CD2 3.84Å; F756-Y772 HydrophobicContact CE1-CD2 3.84Å; F756-Y772 AromaticContact CE1-CE1 3.63Å; F756-Y772 HydrophobicContact CE1-CE1 3.63Å; F756-Y772 AromaticContact CE1-CE2 3.69Å; F756-Y772 HydrophobicContact CE1-CE2 3.69Å; F756-Y772 AromaticContact CE1-CG 3.87Å; F756-Y772 HydrophobicContact CE1-CG 3.87Å; F756-Y772 AromaticContact CE1-CZ 3.57Å; F756-Y772 HydrophobicContact CG-CE2 4.24Å; F756-Y772 HydrophobicContact CZ-CE1 4.14Å; F756-Y772 HydrophobicContact CZ-CE2 4.47Å; Y772-H801 AromaticContact CD1-CE1 3.77Å; Y772-H801 AromaticContact CE1-CE1 3.8Å
773	L	94.9	Very high	86.5	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	117.4	-179.9	179	64.9	0	0	0	109.3	Y730 V732 K751 V775 E777 F781	Y730-L773 PolarHBondContact N-O 3.36Å; Y730-L773 PolarHBondContact O-N 3.35Å; V732-L773 HydrophobicContact CG2-CB 3.5Å; V732-L773 VanDerWaalsContact CG2-CB 3.5Å; V732-L773 HydrophobicContact CG2-CD2 3.82Å; V732-L773 HydrophobicContact CG2-CG 4.31Å; K751-L773 HydrophobicContact CB-CD1 3.86Å; K751-L773 VanDerWaalsContact O-CD1 3.3Å; K751-L773 WeakPolarHBondContact O-CD1 3.33Å; L773-V775 PolarHBondContact O-N 3.49Å; L773-E777 HydrophobicContact CD1-CB 4.06Å; L773-F781 HydrophobicContact CD2-CB 4.38Å; L773-F781 HydrophobicContact CD2-CD1 3.82Å; L773-F781 HydrophobicContact CD2-CD2 4.19Å; L773-F781 HydrophobicContact CD2-CE1 4.07Å; L773-F781 HydrophobicContact CD2-CE2 4.43Å; L773-F781 HydrophobicContact CD2-CG 3.87Å; L773-F781 HydrophobicContact CD2-CZ 4.37Å
774	P	93.8	Very high	87.8	Confident	4 Å²	4	35.5 Å²	35.5	3%	0.026	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.1	132.7	172.6	-27.1	35.8	0	0	0	111	R752 V776 E777 S778	R752-P774 HydrophobicContact CB-CG 4.23Å; P774-V776 HydrophobicContact CB-CG1 4.29Å; P774-V776 PolarHBondContact O-N 2.9Å; P774-V776 VanDerWaalsContact O-N 3.12Å; P774-E777 HydrophobicContact CB-CB 4.49Å; P774-E777 HydrophobicContact CB-CG 4.15Å; P774-E777 WeakPolarHBondContact O-CB 3.4Å; P774-E777 PolarHBondContact O-N 3.37Å; P774-S778 PolarHBondContact O-N 2.83Å
775	V	91.6	Very high	88.7	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-59.4	-32.3	-174.4	175.2	0	0	0	0	111.4	V488 V489 V562 P728 Y730 L773 E777 S778	V488-V775 HydrophobicContact CG2-CG1 4.14Å; V488-V775 HydrophobicContact CG2-CG2 4.41Å; V489-V775 HydrophobicContact CG2-CG1 4.08Å; V562-V775 HydrophobicContact CG1-CB 4.19Å; V562-V775 HydrophobicContact CG1-CG1 4.2Å; V562-V775 HydrophobicContact CG2-CB 4.28Å; V562-V775 HydrophobicContact CG2-CG1 3.82Å; P728-V775 HydrophobicContact CB-CB 4.46Å; P728-V775 HydrophobicContact CB-CG2 3.87Å; P728-V775 HydrophobicContact CG-CB 4.01Å; P728-V775 HydrophobicContact CG-CG2 3.97Å; P728-V775 WeakPolarHBondContact O-CG2 3.24Å; P728-V775 PolarHBondContact O-N 3.4Å; Y730-V775 HydrophobicContact CD1-CG2 3.72Å; Y730-V775 HydrophobicContact CD2-CB 4.35Å; Y730-V775 HydrophobicContact CD2-CG1 4.47Å; Y730-V775 HydrophobicContact CD2-CG2 3.78Å; Y730-V775 HydrophobicContact CE1-CG1 4.49Å; Y730-V775 HydrophobicContact CE1-CG2 3.64Å; Y730-V775 HydrophobicContact CE2-CB 4.08Å; Y730-V775 HydrophobicContact CE2-CG1 3.72Å; Y730-V775 HydrophobicContact CE2-CG2 3.71Å; Y730-V775 HydrophobicContact CG-CG2 3.78Å; L773-V775 PolarHBondContact O-N 3.49Å; V775-E777 PolarHBondContact O-N 3.31Å; V775-S778 VanDerWaalsContact O-CB 3.3Å; V775-S778 WeakPolarHBondContact O-CB 3.31Å; V775-S778 PolarHBondContact O-N 2.79Å; V775-S778 PolarHBondContact O-OG 3.23Å
776	V	89.6	Confident	89.2	Confident	50 Å²	50	35.3 Å²	35.3	30%	0.303	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-63.7	-31	178	69.8	0	0	0	0	112.3	V562 P774 S778 F779	V562-V776 HydrophobicContact CB-CB 4.48Å; V562-V776 HydrophobicContact CG2-CB 3.86Å; V562-V776 HydrophobicContact CG2-CG2 4.29Å; P774-V776 HydrophobicContact CB-CG1 4.29Å; P774-V776 PolarHBondContact O-N 2.9Å; P774-V776 VanDerWaalsContact O-N 3.12Å; V776-S778 VanDerWaalsContact C-N 3.34Å; V776-F779 VanDerWaalsContact O-CD2 3.32Å; V776-F779 WeakPolarHBondContact O-CD2 3.32Å
777	E	90.6	Very high	89.5	Confident	57 Å²	57	37.1 Å²	37.1	27%	0.266	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-86.1	-10.1	177.7	-58.9	-64.4	165.9	0	0	112.1	K751 R752 L773 P774 V775 F779	K751-E777 HydrophobicContact CB-CB 3.97Å; K751-E777 VanDerWaalsContact CD-O 3.29Å; K751-E777 WeakPolarHBondContact CD-O 3.5Å; K751-E777 WeakPolarHBondContact CE-O 3.29Å; K751-E777 HydrophobicContact CG-CB 4.46Å; K751-E777 PolarHBondContact NZ-O 2.97Å; K751-E777 WeakPolarHBondContact O-CB 3.37Å; K751-E777 VanDerWaalsContact O-CG 3.3Å; K751-E777 WeakPolarHBondContact O-CG 3.06Å; R752-E777 HydrophobicContact CB-CG 4.36Å; R752-E777 HydrophobicContact CG-CG 4.44Å; L773-E777 HydrophobicContact CD1-CB 4.06Å; P774-E777 HydrophobicContact CB-CB 4.49Å; P774-E777 HydrophobicContact CB-CG 4.15Å; P774-E777 WeakPolarHBondContact O-CB 3.4Å; P774-E777 PolarHBondContact O-N 3.37Å; V775-E777 PolarHBondContact O-N 3.31Å; E777-F779 VanDerWaalsContact C-N 3.3Å; E777-F779 PolarHBondContact O-N 3.45Å
778	S	88.4	Confident	89.7	Confident	11 Å²	11	38.2 Å²	38.2	8%	0.077	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-73.2	-18.7	-178.7	77.5	0	0	0	0	113.9	Y730 P774 V775 V776 G780 F781	Y730-S778 WeakPolarHBondContact CE2-OG 3.44Å; P774-S778 PolarHBondContact O-N 2.83Å; V775-S778 VanDerWaalsContact O-CB 3.3Å; V775-S778 WeakPolarHBondContact O-CB 3.31Å; V775-S778 PolarHBondContact O-N 2.79Å; V775-S778 PolarHBondContact O-OG 3.23Å; V776-S778 VanDerWaalsContact C-N 3.34Å; S778-G780 PolarHBondContact O-N 2.99Å; S778-F781 WeakPolarHBondContact O-CB 3.49Å; S778-F781 PolarHBondContact O-N 3.01Å
779	F	86.7	Confident	89.7	Confident	44 Å²	44	37.5 Å²	37.5	19%	0.193	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	126.8	-178.6	-58.5	-48.2	0	0	0	111.6	V489 P560 V562 K751 V776 E777 F781	V489-F779 HydrophobicContact CG1-CE1 3.71Å; V489-F779 HydrophobicContact CG1-CZ 3.86Å; V489-F779 HydrophobicContact CG2-CE1 4.27Å; P560-F779 HydrophobicContact CB-CD1 4.3Å; P560-F779 HydrophobicContact CB-CE1 3.73Å; P560-F779 HydrophobicContact CB-CE2 4.45Å; P560-F779 HydrophobicContact CB-CZ 3.82Å; P560-F779 HydrophobicContact CG-CD1 3.89Å; P560-F779 HydrophobicContact CG-CD2 4.4Å; P560-F779 HydrophobicContact CG-CE1 3.84Å; P560-F779 HydrophobicContact CG-CE2 4.33Å; P560-F779 HydrophobicContact CG-CG 4.19Å; P560-F779 HydrophobicContact CG-CZ 4.06Å; P560-F779 WeakPolarHBondContact O-CE2 3.14Å; V562-F779 HydrophobicContact CG2-CE2 3.81Å; V562-F779 HydrophobicContact CG2-CZ 3.69Å; K751-F779 PolarHBondContact NZ-O 3.34Å; V776-F779 VanDerWaalsContact O-CD2 3.32Å; V776-F779 WeakPolarHBondContact O-CD2 3.32Å; E777-F779 VanDerWaalsContact C-N 3.3Å; E777-F779 PolarHBondContact O-N 3.45Å; F779-F781 PolarHBondContact O-N 3.4Å; F779-F781 VanDerWaalsContact O-N 3.17Å
780	G	84.7	Confident	89.4	Confident	24 Å²	24	42.7 Å²	42.7	25%	0.247	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.9	7	-175.5	0	0	0	0	0	115	E535 S778 S782 S783 Q784	E535-G780 PolarHBondContact OE2-N 3.15Å; S778-G780 PolarHBondContact O-N 2.99Å; G780-S782 PolarHBondContact O-N 3.49Å; G780-S783 PolarHBondContact O-N 2.93Å; G780-Q784 WeakPolarHBondContact O-CG 3.36Å; G780-Q784 PolarHBondContact O-N 3Å; G780-Q784 VanDerWaalsContact O-N 3.1Å
781	F	88	Confident	88.7	Confident	1 Å²	1	41.9 Å²	41.9	0%	0.004	26%	0.256	C	S	.	.	H	α-helix	trans	-57.8	-48.9	-179.4	172.1	-117.3	0	0	0	112	V732 I734 V747 L748 K751 L773 S778 F779 S783 Q784 L785 P795	V732-F781 HydrophobicContact CG1-CE1 3.65Å; V732-F781 HydrophobicContact CG1-CZ 4.15Å; I734-F781 HydrophobicContact CD1-CZ 3.93Å; V747-F781 HydrophobicContact CG1-CD2 3.74Å; V747-F781 HydrophobicContact CG1-CE2 3.69Å; L748-F781 HydrophobicContact CD2-CE2 3.84Å; L748-F781 HydrophobicContact CD2-CZ 3.7Å; L748-F781 HydrophobicContact CG-CE2 4.34Å; L748-F781 HydrophobicContact CG-CZ 4.36Å; K751-F781 HydrophobicContact CD-CB 4.25Å; K751-F781 HydrophobicContact CD-CD2 3.75Å; K751-F781 HydrophobicContact CD-CG 4.45Å; L773-F781 HydrophobicContact CD2-CB 4.38Å; L773-F781 HydrophobicContact CD2-CD1 3.82Å; L773-F781 HydrophobicContact CD2-CD2 4.19Å; L773-F781 HydrophobicContact CD2-CE1 4.07Å; L773-F781 HydrophobicContact CD2-CE2 4.43Å; L773-F781 HydrophobicContact CD2-CG 3.87Å; L773-F781 HydrophobicContact CD2-CZ 4.37Å; S778-F781 WeakPolarHBondContact O-CB 3.49Å; S778-F781 PolarHBondContact O-N 3.01Å; F779-F781 PolarHBondContact O-N 3.4Å; F779-F781 VanDerWaalsContact O-N 3.17Å; F781-S783 VanDerWaalsContact C-N 3.28Å; F781-S783 PolarHBondContact O-N 3.36Å; F781-Q784 PolarHBondContact O-N 2.8Å; F781-L785 HydrophobicContact CE1-CD2 4.23Å; F781-L785 HydrophobicContact CE2-CD1 4.49Å; F781-L785 HydrophobicContact CZ-CD1 4.49Å; F781-L785 HydrophobicContact CZ-CD2 3.99Å; F781-L785 VanDerWaalsContact O-CB 3.3Å; F781-L785 WeakPolarHBondContact O-CB 3.26Å; F781-L785 PolarHBondContact O-N 3.44Å; F781-P795 HydrophobicContact CD1-CB 4.05Å; F781-P795 HydrophobicContact CD1-CG 3.98Å; F781-P795 HydrophobicContact CE1-CB 3.43Å; F781-P795 VanDerWaalsContact CE1-CB 3.43Å; F781-P795 HydrophobicContact CE1-CG 3.8Å; F781-P795 HydrophobicContact CZ-CB 4.34Å
782	S	83.5	Confident	87.9	Confident	47 Å²	47	46.9 Å²	46.9	33%	0.329	28%	0.28	S	S	.	.	H	α-helix	trans	-57.8	-40	-179.6	-56.5	0	0	0	0	112.7	G780 R786 P795	G780-S782 PolarHBondContact O-N 3.49Å; S782-R786 WeakPolarHBondContact O-CB 3.15Å; S782-R786 VanDerWaalsContact O-CG 3.29Å; S782-R786 WeakPolarHBondContact O-CG 3.36Å; S782-R786 PolarHBondContact O-N 3.34Å; S782-P795 WeakPolarHBondContact OG-CG 3.35Å
783	S	84.6	Confident	87.2	Confident	83 Å²	83	43.3 Å²	43.3	58%	0.58	27%	0.266	S	S	*	.	H	α-helix	trans	-70	-43.6	179.1	-61.6	0	0	0	0	112	G780 F781 R786 A787	G780-S783 PolarHBondContact O-N 2.93Å; F781-S783 VanDerWaalsContact C-N 3.28Å; F781-S783 PolarHBondContact O-N 3.36Å; S783-R786 PolarHBondContact O-N 3.11Å; S783-A787 PolarHBondContact O-N 3.44Å
784	Q	89.8	Confident	86.3	Confident	88 Å²	88	48.7 Å²	48.7	41%	0.411	29%	0.289	S	S	.	.	H	α-helix	trans	-65.7	-40.7	176.5	-68.8	-178.9	13.4	0	0	111.8	V747 G780 F781 A787 A788	V747-Q784 HydrophobicContact CG1-CB 4.21Å; G780-Q784 WeakPolarHBondContact O-CG 3.36Å; G780-Q784 PolarHBondContact O-N 3Å; G780-Q784 VanDerWaalsContact O-N 3.1Å; F781-Q784 PolarHBondContact O-N 2.8Å; Q784-A787 PolarHBondContact O-N 3.42Å; Q784-A788 WeakPolarHBondContact O-CB 3.41Å; Q784-A788 PolarHBondContact O-N 2.87Å
785	L	89.6	Confident	85.9	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-62.7	-45.4	177.3	-170.2	67.6	0	0	0	111.2	I734 I744 V747 F781 A787 A788 T789 A793 P795	I734-L785 HydrophobicContact CD1-CD1 4.49Å; I734-L785 HydrophobicContact CD1-CD2 3.86Å; I734-L785 HydrophobicContact CG1-CD2 4.22Å; I734-L785 HydrophobicContact CG2-CD2 3.99Å; I744-L785 HydrophobicContact CB-CD1 4.25Å; I744-L785 HydrophobicContact CG1-CD1 3.97Å; I744-L785 HydrophobicContact CG2-CD1 4.36Å; V747-L785 HydrophobicContact CB-CD1 4.26Å; F781-L785 HydrophobicContact CE1-CD2 4.23Å; F781-L785 HydrophobicContact CE2-CD1 4.49Å; F781-L785 HydrophobicContact CZ-CD1 4.49Å; F781-L785 HydrophobicContact CZ-CD2 3.99Å; F781-L785 VanDerWaalsContact O-CB 3.3Å; F781-L785 WeakPolarHBondContact O-CB 3.26Å; F781-L785 PolarHBondContact O-N 3.44Å; L785-A787 VanDerWaalsContact C-N 3.35Å; L785-A787 PolarHBondContact O-N 2.87Å; L785-A788 PolarHBondContact O-N 3.17Å; L785-T789 HydrophobicContact CD1-CG2 4.35Å; L785-T789 WeakPolarHBondContact O-CB 3.49Å; L785-T789 WeakPolarHBondContact O-CG2 3.48Å; L785-T789 PolarHBondContact O-N 3Å; L785-T789 PolarHBondContact O-OG1 2.97Å; L785-A793 HydrophobicContact CD2-CB 4.13Å; L785-A793 HydrophobicContact CG-CB 4.11Å; L785-P795 HydrophobicContact CD2-CB 3.79Å; L785-P795 HydrophobicContact CD2-CG 3.73Å
786	R	85.1	Confident	85.3	Confident	120 Å²	120	50.2 Å²	50.2	45%	0.453	30%	0.297	S	S	.	.	H	α-helix	trans	-59.8	-44	174.5	-75.6	176.1	-173.9	171.4	3.5	111.7	S782 S783 T789 S790 G791	S782-R786 WeakPolarHBondContact O-CB 3.15Å; S782-R786 VanDerWaalsContact O-CG 3.29Å; S782-R786 WeakPolarHBondContact O-CG 3.36Å; S782-R786 PolarHBondContact O-N 3.34Å; S783-R786 PolarHBondContact O-N 3.11Å; R786-T789 PolarHBondContact O-N 3.03Å; R786-S790 CarbonylContact O-C 3.44Å; R786-S790 PolarHBondContact O-N 2.82Å; R786-G791 PolarHBondContact O-N 3.25Å
787	A	88.5	Confident	85.1	Confident	81 Å²	81	48.8 Å²	48.8	67%	0.669	29%	0.289	S	S	*	.	H	α-helix	trans	-62.8	-44.1	178.1	0	0	0	0	0	112.2	S783 Q784 L785 T789	S783-A787 PolarHBondContact O-N 3.44Å; Q784-A787 PolarHBondContact O-N 3.42Å; L785-A787 VanDerWaalsContact C-N 3.35Å; L785-A787 PolarHBondContact O-N 2.87Å; A787-T789 VanDerWaalsContact C-N 3.27Å; A787-T789 PolarHBondContact O-N 3.4Å
788	A	90.2	Very high	84.6	Confident	50 Å²	50	47.2 Å²	47.2	41%	0.413	28%	0.283	S	S	.	.	H	α-helix	trans	-70.1	-22.4	-179.4	0	0	0	0	0	113.8	V747 Q784 L785	V747-A788 HydrophobicContact CG2-CB 3.57Å; Q784-A788 WeakPolarHBondContact O-CB 3.41Å; Q784-A788 PolarHBondContact O-N 2.87Å; L785-A788 PolarHBondContact O-N 3.17Å
789	T	87.5	Confident	84.5	Confident	5 Å²	5	48.6 Å²	48.6	3%	0.031	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.8	11	-176.2	61.9	0	0	0	0	113.2	A740 I744 L785 R786 A787 G791 Q792 A793	A740-T789 HydrophobicContact CB-CG2 4.06Å; I744-T789 HydrophobicContact CG1-CG2 3.93Å; L785-T789 HydrophobicContact CD1-CG2 4.35Å; L785-T789 WeakPolarHBondContact O-CB 3.49Å; L785-T789 WeakPolarHBondContact O-CG2 3.48Å; L785-T789 PolarHBondContact O-N 3Å; L785-T789 PolarHBondContact O-OG1 2.97Å; R786-T789 PolarHBondContact O-N 3.03Å; A787-T789 VanDerWaalsContact C-N 3.27Å; A787-T789 PolarHBondContact O-N 3.4Å; T789-G791 PolarHBondContact O-N 3.19Å; T789-Q792 VanDerWaalsContact O-CB 3.3Å; T789-Q792 WeakPolarHBondContact O-CB 3.3Å; T789-Q792 WeakPolarHBondContact O-CG 3.48Å; T789-Q792 PolarHBondContact O-N 2.99Å; T789-A793 HydrophobicContact CG2-CB 3.87Å; T789-A793 PolarHBondContact OG1-N 3.47Å
790	S	85.4	Confident	84.5	Confident	109 Å²	109	49.9 Å²	49.9	76%	0.762	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	34.3	-174.8	-54.4	0	0	0	0	113.4	R786 Q792	R786-S790 CarbonylContact O-C 3.44Å; R786-S790 PolarHBondContact O-N 2.82Å; S790-Q792 VanDerWaalsContact C-N 3.34Å
791	G	78.2	Confident	84.8	Confident	31 Å²	31	51.2 Å²	51.2	32%	0.32	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.4	11.6	-179.8	0	0	0	0	0	115.2	R786 T789 F794	R786-G791 PolarHBondContact O-N 3.25Å; T789-G791 PolarHBondContact O-N 3.19Å; G791-F794 WeakPolarHBondContact O-CE2 3.33Å
792	Q	79.2	Confident	85	Confident	105 Å²	105	52.2 Å²	52.2	49%	0.491	30%	0.3	S	S	.	.			trans	-87.2	-8.2	-177.7	-62.5	-177.7	-17.3	0	0	114.3	P737 A740 T789 S790	P737-Q792 HydrophobicContact CG-CB 4.04Å; P737-Q792 HydrophobicContact CG-CG 4.48Å; A740-Q792 HydrophobicContact CB-CB 4.25Å; T789-Q792 VanDerWaalsContact O-CB 3.3Å; T789-Q792 WeakPolarHBondContact O-CB 3.3Å; T789-Q792 WeakPolarHBondContact O-CG 3.48Å; T789-Q792 PolarHBondContact O-N 2.99Å; S790-Q792 VanDerWaalsContact C-N 3.34Å
793	A	81	Confident	85.6	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	30%	0.304	C	S	.	.			trans	-120.5	137	176.8	0	0	0	0	0	111.5	I734 A736 I744 L785 T789	I734-A793 HydrophobicContact CG2-CB 3.69Å; A736-A793 HydrophobicContact CB-CB 3.95Å; I744-A793 HydrophobicContact CD1-CB 4.15Å; I744-A793 HydrophobicContact CG1-CB 4.19Å; L785-A793 HydrophobicContact CD2-CB 4.13Å; L785-A793 HydrophobicContact CG-CB 4.11Å; T789-A793 HydrophobicContact CG2-CB 3.87Å; T789-A793 PolarHBondContact OG1-N 3.47Å
794	F	75.5	Confident	86	Confident	113 Å²	113	54 Å²	54	50%	0.496	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	119.5	174.6	-67.4	-91.6	0	0	0	108.9	G791	G791-F794 WeakPolarHBondContact O-CE2 3.33Å
795	P	85.4	Confident	86.2	Confident	15 Å²	15	50.1 Å²	50.1	10%	0.097	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	148.2	179.5	33.3	-27.3	0	0	0	111	V732 E733 I734 F781 S782 L785	V732-P795 HydrophobicContact CG1-CB 3.87Å; E733-P795 CarbonylContact O-C 3.52Å; E733-P795 WeakPolarHBondContact O-CA 3.22Å; I734-P795 HydrophobicContact CG1-CB 4.08Å; F781-P795 HydrophobicContact CD1-CB 4.05Å; F781-P795 HydrophobicContact CD1-CG 3.98Å; F781-P795 HydrophobicContact CE1-CB 3.43Å; F781-P795 VanDerWaalsContact CE1-CB 3.43Å; F781-P795 HydrophobicContact CE1-CG 3.8Å; F781-P795 HydrophobicContact CZ-CB 4.34Å; S782-P795 WeakPolarHBondContact OG-CG 3.35Å; L785-P795 HydrophobicContact CD2-CB 3.79Å; L785-P795 HydrophobicContact CD2-CG 3.73Å
796	Q	80.3	Confident	86.2	Confident	20 Å²	20	55.7 Å²	55.7	9%	0.093	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	122.4	164	-67.4	-170.8	0.6	0	0	109.5	H27 V732 E733	H27-Q796 PolarHBondContact CE1-NE2 3.26Å; H27-Q796 PolarHBondContact CE1-OE1 3.09Å; H27-Q796 PolarHBondContact ND1-OE1 3.16Å; H27-Q796 PolarHBondContact NE2-NE2 3.05Å; V732-Q796 CarbonylContact C-O 3.36Å; V732-Q796 VanDerWaalsContact CA-O 3.25Å; V732-Q796 WeakPolarHBondContact CA-O 3.27Å; E733-Q796 PolarHBondContact N-O 2.98Å; E733-Q796 PolarHBondContact O-N 3.39Å
797	C	84.1	Confident	86.6	Confident	21 Å²	21	51 Å²	51	14%	0.142	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	119.9	-176.8	-57.9	0	0	0	0	109.6	V109 Y730 M731 V732	V109-C797 WeakPolarHBondContact CG1-O 3.15Å; Y730-C797 HydrophobicContact CD1-CB 4.4Å; Y730-C797 HydrophobicContact CD2-CB 3.65Å; Y730-C797 HydrophobicContact CE2-CB 4.15Å; Y730-C797 HydrophobicContact CG-CB 3.8Å; M731-C797 WeakPolarHBondContact O-CA 3.48Å; V732-C797 HydrophobicContact CG2-CB 4.47Å
798	V	81.2	Confident	86.8	Confident	23 Å²	23	49 Å²	49	14%	0.139	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	133.8	177	-172.4	0	0	0	0	108.3	V109 Y730 M731 D800	V109-V798 HydrophobicContact CB-CG2 3.94Å; V109-V798 HydrophobicContact CG1-CG2 4.03Å; V109-V798 HydrophobicContact CG2-CB 3.92Å; V109-V798 HydrophobicContact CG2-CG1 3.6Å; V109-V798 HydrophobicContact CG2-CG2 3.44Å; V109-V798 VanDerWaalsContact CG2-CG2 3.44Å; Y730-V798 CarbonylContact C-O 3.43Å; Y730-V798 WeakPolarHBondContact CA-O 3.47Å; Y730-V798 VanDerWaalsContact CD1-C 3.49Å; M731-V798 PolarHBondContact N-O 3.16Å; M731-V798 PolarHBondContact O-N 2.87Å; V798-D800 PolarHBondContact O-N 3Å
799	F	85.5	Confident	87	Confident	41 Å²	41	46.9 Å²	46.9	18%	0.18	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	123.1	170.5	174.7	-97.8	0	0	0	109.3	V488 P728 Y730 H801 W802	V488-F799 HydrophobicContact CG1-CD2 3.98Å; V488-F799 HydrophobicContact CG1-CE2 4.34Å; V488-F799 HydrophobicContact CG1-CG 4.48Å; P728-F799 HydrophobicContact CB-CD2 3.97Å; P728-F799 HydrophobicContact CB-CE2 3.6Å; Y730-F799 HydrophobicContact CD1-CB 4.26Å; Y730-F799 HydrophobicContact CE1-CB 4.2Å; F799-H801 VanDerWaalsContact CE2-O 3.23Å; F799-H801 WeakPolarHBondContact CE2-O 3.47Å; F799-W802 HydrophobicContact CE2-CD2 4.38Å; F799-W802 HydrophobicContact CE2-CZ2 4.47Å; F799-W802 AromaticContact CZ-CD1 3.59Å; F799-W802 HydrophobicContact CZ-CD2 4.22Å; F799-W802 AromaticContact CZ-CE2 3.79Å; F799-W802 HydrophobicContact CZ-CG 4.1Å; F799-W802 HydrophobicContact CZ-CZ2 4.41Å; F799-W802 AromaticContact CZ-NE1 3.4Å
800	D	87.2	Confident	87.2	Confident	70 Å²	70	50.2 Å²	50.2	37%	0.374	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	-58.3	-174.8	-172.1	-95.5	0	0	0	110.7	V729 M731 V798	V729-D800 PolarHBondContact O-N 3.08Å; M731-D800 HydrophobicContact CB-CB 3.78Å; V798-D800 PolarHBondContact O-N 3Å
801	H	91.3	Very high	87.5	Confident	52 Å²	52	50.7 Å²	50.7	24%	0.241	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	171.9	-178.1	64.3	-85.1	0	0	0	113.2	V729 Y772 F799	V729-H801 PolarHBondContact N-O 2.84Å; Y772-H801 AromaticContact CD1-CE1 3.77Å; Y772-H801 AromaticContact CE1-CE1 3.8Å; F799-H801 VanDerWaalsContact CE2-O 3.23Å; F799-H801 WeakPolarHBondContact CE2-O 3.47Å
802	W	92.9	Very high	88.1	Confident	22 Å²	22	55 Å²	55	8%	0.083	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	123.2	168.6	-68.5	96.2	0	0	0	109.2	V488 S563 R565 R683 L726 P728 F799	V488-W802 HydrophobicContact CG1-CH2 4.39Å; V488-W802 HydrophobicContact CG1-CZ2 4.4Å; S563-W802 WeakPolarHBondContact O-CH2 3.33Å; S563-W802 VanDerWaalsContact O-CZ3 3.3Å; S563-W802 WeakPolarHBondContact O-CZ3 3.26Å; R565-W802 HydrophobicContact CB-CE3 4.42Å; R565-W802 HydrophobicContact CB-CZ3 4.41Å; R565-W802 HydrophobicContact CG-CD2 4.07Å; R565-W802 HydrophobicContact CG-CE3 3.85Å; R565-W802 HydrophobicContact CG-CH2 3.63Å; R565-W802 HydrophobicContact CG-CZ2 3.85Å; R565-W802 HydrophobicContact CG-CZ3 3.61Å; R683-W802 VanDerWaalsContact CD-CD1 3.46Å; R683-W802 VanDerWaalsContact NE-CD1 3.26Å; L726-W802 HydrophobicContact CB-CB 4.2Å; L726-W802 HydrophobicContact CB-CE3 4.04Å; L726-W802 HydrophobicContact CD1-CB 4.22Å; P728-W802 HydrophobicContact CB-CD2 4.46Å; P728-W802 HydrophobicContact CB-CE3 3.9Å; P728-W802 HydrophobicContact CB-CH2 3.89Å; P728-W802 HydrophobicContact CB-CZ2 4.45Å; P728-W802 HydrophobicContact CB-CZ3 3.6Å; P728-W802 HydrophobicContact CG-CE3 4.41Å; P728-W802 HydrophobicContact CG-CH2 4.12Å; P728-W802 HydrophobicContact CG-CZ3 3.74Å; F799-W802 HydrophobicContact CE2-CD2 4.38Å; F799-W802 HydrophobicContact CE2-CZ2 4.47Å; F799-W802 AromaticContact CZ-CD1 3.59Å; F799-W802 HydrophobicContact CZ-CD2 4.22Å; F799-W802 AromaticContact CZ-CE2 3.79Å; F799-W802 HydrophobicContact CZ-CG 4.1Å; F799-W802 HydrophobicContact CZ-CZ2 4.41Å; F799-W802 AromaticContact CZ-NE1 3.4Å
803	E	94.4	Very high	88.6	Confident	88 Å²	88	53.3 Å²	53.3	41%	0.411	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	134.2	178.7	-173.3	173.7	-160.2	0	0	110.4	L726 E727 V729 M805	L726-E803 CarbonylContact C-O 3.56Å; L726-E803 VanDerWaalsContact CA-O 3.27Å; L726-E803 WeakPolarHBondContact CA-O 3.13Å; E727-E803 HydrophobicContact CG-CB 4.35Å; E727-E803 PolarHBondContact N-O 3.19Å; E727-E803 PolarHBondContact O-N 3.21Å; V729-E803 HydrophobicContact CG2-CB 3.54Å; V729-E803 WeakPolarHBondContact CG2-OE2 3.14Å; E803-M805 PolarHBondContact O-N 3.43Å
804	M	94.9	Very high	89.1	Confident	80 Å²	80	54.4 Å²	54.4	39%	0.394	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	124	177.4	-171.6	-177	-65.8	0	0	110.7	T567 C569 R724 L726 S806	T567-M804 HydrophobicContact CG2-CE 3.82Å; C569-M804 HydrophobicContact CB-SD 4.21Å; R724-M804 HydrophobicContact CB-CG 3.8Å; R724-M804 HydrophobicContact CB-SD 4.02Å; R724-M804 HydrophobicContact CG-CG 4.1Å; R724-M804 HydrophobicContact CG-SD 3.82Å; L726-M804 HydrophobicContact CD2-CB 3.77Å; L726-M804 HydrophobicContact CD2-CG 4.26Å; M804-S806 PolarHBondContact O-N 3.05Å
805	M	93.8	Very high	89.8	Confident	6 Å²	6	53.7 Å²	53.7	3%	0.03	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-65.7	131.8	172.7	-64.6	-166.7	74.1	0	0	110.4	F564 L725 E727 E803 Q815 L819	F564-M805 HydrophobicContact CE1-SD 4.11Å; L725-M805 HydrophobicContact CB-CG 4.27Å; L725-M805 HydrophobicContact CB-SD 3.94Å; L725-M805 HydrophobicContact CD1-SD 4.27Å; L725-M805 PolarHBondContact O-N 3.45Å; E727-M805 HydrophobicContact CB-CG 4.42Å; E727-M805 HydrophobicContact CG-CG 4.4Å; E803-M805 PolarHBondContact O-N 3.43Å; M805-Q815 HydrophobicContact CE-CG 4Å; M805-L819 HydrophobicContact CE-CD1 3.61Å; M805-L819 HydrophobicContact SD-CD1 3.75Å
806	S	89.7	Confident	90.1	Very high	118 Å²	118	53 Å²	53	83%	0.825	30%	0.303	S	S	*	.	S	Bend	trans	-69.5	-33.1	-179.2	57.3	0	0	0	0	113.2	M804	M804-S806 PolarHBondContact O-N 3.05Å
807	S	92.7	Very high	90.8	Very high	22 Å²	22	52.9 Å²	52.9	15%	0.154	31%	0.305	C	S	.	.	S	Bend	trans	-72	139.2	-178.3	58.2	0	0	0	0	113.1	A816	S807-A816 WeakPolarHBondContact O-CB 3.49Å; S807-A816 WeakPolarHBondContact OG-CB 3.43Å; S807-A816 PolarHBondContact OG-N 2.98Å; S807-A816 VanDerWaalsContact OG-N 3.08Å
808	D	93.2	Very high	91.2	Very high	37 Å²	37	55.3 Å²	55.3	20%	0.198	32%	0.319	C	S	.	.			trans	-79.2	121	179.2	-160.9	-43.1	0	0	0	111.9	R724 L810 E811 T814	R724-D808 IonicContact CZ-OD2 2.97Å; R724-D808 VanDerWaalsContact CZ-OD2 3.27Å; R724-D808 IonicContact NH1-OD1 3.77Å; R724-D808 PolarHBondContact NH1-OD1 3.3Å; R724-D808 IonicContact NH1-OD2 3.54Å; R724-D808 PolarHBondContact NH1-OD2 2.61Å; R724-D808 IonicContact NH2-OD2 3.61Å; R724-D808 PolarHBondContact NH2-OD2 3.26Å; D808-L810 PolarHBondContact O-N 2.87Å; D808-L810 WeakPolarHBondContact OD1-CB 3.13Å; D808-L810 PolarHBondContact OD1-N 3.31Å; D808-E811 HydrophobicContact CB-CB 4.12Å; D808-E811 PolarHBondContact O-N 3.34Å; D808-T814 PolarHBondContact O-OG1 3.49Å
809	P	93.5	Very high	91.7	Very high	6 Å²	6	56.2 Å²	56.2	4%	0.039	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-19.7	177.9	27.2	-34.3	0	0	0	114	L677 P723 A816 S817 V820	L677-P809 HydrophobicContact CD1-CB 4.21Å; L677-P809 HydrophobicContact CD1-CG 3.81Å; L677-P809 HydrophobicContact CD2-CG 4.28Å; P723-P809 VanDerWaalsContact O-CD 3.3Å; P723-P809 WeakPolarHBondContact O-CD 3.36Å; P723-P809 WeakPolarHBondContact O-CG 3.33Å; P809-A816 HydrophobicContact CB-CB 4.05Å; P809-S817 WeakPolarHBondContact O-CB 3.28Å; P809-V820 HydrophobicContact CB-CG2 3.83Å
810	L	92.1	Very high	92	Very high	75 Å²	75	54.5 Å²	54.5	39%	0.393	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-15.4	178.8	-57.4	-176	0	0	0	112.9	L677 P723 D808 P812 M833	L677-L810 HydrophobicContact CD2-CD2 4.19Å; P723-L810 HydrophobicContact CG-CD1 3.78Å; P723-L810 HydrophobicContact CG-CD2 4.26Å; P723-L810 HydrophobicContact CG-CG 3.97Å; D808-L810 PolarHBondContact O-N 2.87Å; D808-L810 WeakPolarHBondContact OD1-CB 3.13Å; D808-L810 PolarHBondContact OD1-N 3.31Å; L810-P812 WeakPolarHBondContact O-CD 3.37Å; L810-M833 HydrophobicContact CD2-CE 3.59Å; L810-M833 HydrophobicContact CD2-SD 3.72Å
811	E	92.2	Very high	92.3	Very high	120 Å²	120	52.4 Å²	52.4	56%	0.561	31%	0.307	S	S	*	.	S	Bend	trans	-87.8	115.5	177.4	-175.2	178	-173.9	0	0	110	D808 G813 T814 S817	D808-E811 HydrophobicContact CB-CB 4.12Å; D808-E811 PolarHBondContact O-N 3.34Å; E811-G813 PolarHBondContact O-N 2.7Å; E811-T814 HydrophobicContact CB-CG2 3.71Å; E811-T814 HydrophobicContact CG-CG2 3.8Å; E811-T814 WeakPolarHBondContact O-CG2 3.14Å; E811-T814 PolarHBondContact O-N 3.39Å; E811-T814 PolarHBondContact O-OG1 2.75Å; E811-T814 VanDerWaalsContact O-OG1 3.1Å; E811-S817 VanDerWaalsContact O-CB 3.23Å; E811-S817 WeakPolarHBondContact O-CB 3.39Å; E811-S817 PolarHBondContact O-OG 3.33Å
812	P	90	Very high	92.2	Very high	120 Å²	120	54 Å²	54	78%	0.779	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	134.7	-176.4	-23.2	34.1	0	0	0	113	L810	L810-P812 WeakPolarHBondContact O-CD 3.37Å
813	G	89.6	Confident	92.1	Very high	70 Å²	70	53.1 Å²	53.1	72%	0.722	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	91	-5.4	175.9	0	0	0	0	0	114.4	E811 S817	E811-G813 PolarHBondContact O-N 2.7Å; G813-S817 PolarHBondContact N-OG 2.95Å
814	T	92.5	Very high	91.9	Very high	24 Å²	24	49.5 Å²	49.5	15%	0.147	30%	0.297	C	S	.	.	S	Bend	trans	-72.1	158.6	170.2	70.4	0	0	0	0	111.5	D808 E811 A816 S817 V818	D808-T814 PolarHBondContact O-OG1 3.49Å; E811-T814 HydrophobicContact CB-CG2 3.71Å; E811-T814 HydrophobicContact CG-CG2 3.8Å; E811-T814 WeakPolarHBondContact O-CG2 3.14Å; E811-T814 PolarHBondContact O-N 3.39Å; E811-T814 PolarHBondContact O-OG1 2.75Å; E811-T814 VanDerWaalsContact O-OG1 3.1Å; T814-A816 VanDerWaalsContact C-N 3.33Å; T814-A816 PolarHBondContact O-N 3.1Å; T814-S817 PolarHBondContact N-OG 3.1Å; T814-S817 PolarHBondContact O-N 3.44Å; T814-S817 VanDerWaalsContact O-N 3.09Å; T814-S817 PolarHBondContact O-OG 3.46Å; T814-S817 WeakPolarHBondContact OG1-CB 3.44Å; T814-S817 PolarHBondContact OG1-N 3.29Å; T814-S817 VanDerWaalsContact OG1-N 3.16Å; T814-S817 PolarHBondContact OG1-OG 3.4Å; T814-V818 WeakPolarHBondContact O-CG2 3.39Å; T814-V818 PolarHBondContact O-N 3.2Å
815	Q	90.1	Very high	91.6	Very high	98 Å²	98	51.9 Å²	51.9	46%	0.458	31%	0.306	S	S	.	.	H	α-helix	trans	-54.4	-47.1	177.2	-174.4	-175.4	-1	0	0	112.3	M805 S817 V818 L819	M805-Q815 HydrophobicContact CE-CG 4Å; Q815-S817 PolarHBondContact O-N 3.07Å; Q815-V818 PolarHBondContact O-N 3.27Å; Q815-L819 HydrophobicContact CG-CD1 4.29Å; Q815-L819 WeakPolarHBondContact O-CG 3.23Å; Q815-L819 PolarHBondContact O-N 3.29Å
816	A	92.1	Very high	91.1	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-63.1	-38.9	176.7	0	0	0	0	0	112.6	L725 S807 P809 T814 V818 L819 V820	L725-A816 HydrophobicContact CD1-CB 4.47Å; S807-A816 WeakPolarHBondContact O-CB 3.49Å; S807-A816 WeakPolarHBondContact OG-CB 3.43Å; S807-A816 PolarHBondContact OG-N 2.98Å; S807-A816 VanDerWaalsContact OG-N 3.08Å; P809-A816 HydrophobicContact CB-CB 4.05Å; T814-A816 VanDerWaalsContact C-N 3.33Å; T814-A816 PolarHBondContact O-N 3.1Å; A816-V818 VanDerWaalsContact C-N 3.33Å; A816-V818 PolarHBondContact O-N 3.44Å; A816-L819 PolarHBondContact O-N 3.34Å; A816-V820 WeakPolarHBondContact O-CG2 3.36Å; A816-V820 PolarHBondContact O-N 3.3Å
817	S	93.3	Very high	90.8	Very high	18 Å²	18	51.4 Å²	51.4	13%	0.126	29%	0.286	C	S	.	.	H	α-helix	trans	-64.3	-38.5	178	76.4	0	0	0	0	112.4	P809 E811 G813 T814 Q815 V820 A821	P809-S817 WeakPolarHBondContact O-CB 3.28Å; E811-S817 VanDerWaalsContact O-CB 3.23Å; E811-S817 WeakPolarHBondContact O-CB 3.39Å; E811-S817 PolarHBondContact O-OG 3.33Å; G813-S817 PolarHBondContact N-OG 2.95Å; T814-S817 PolarHBondContact N-OG 3.1Å; T814-S817 PolarHBondContact O-N 3.44Å; T814-S817 VanDerWaalsContact O-N 3.09Å; T814-S817 PolarHBondContact O-OG 3.46Å; T814-S817 WeakPolarHBondContact OG1-CB 3.44Å; T814-S817 PolarHBondContact OG1-N 3.29Å; T814-S817 VanDerWaalsContact OG1-N 3.16Å; T814-S817 PolarHBondContact OG1-OG 3.4Å; Q815-S817 PolarHBondContact O-N 3.07Å; S817-V820 PolarHBondContact O-N 3.14Å; S817-A821 WeakPolarHBondContact O-CB 3.28Å; S817-A821 PolarHBondContact O-N 2.99Å
818	V	92.7	Very high	90.4	Very high	72 Å²	72	53.6 Å²	53.6	44%	0.436	31%	0.312	S	S	.	.	H	α-helix	trans	-66.3	-46.5	175.6	175.1	0	0	0	0	110.2	T814 Q815 A816 V820 A821 D822	T814-V818 WeakPolarHBondContact O-CG2 3.39Å; T814-V818 PolarHBondContact O-N 3.2Å; Q815-V818 PolarHBondContact O-N 3.27Å; A816-V818 VanDerWaalsContact C-N 3.33Å; A816-V818 PolarHBondContact O-N 3.44Å; V818-V820 VanDerWaalsContact C-N 3.35Å; V818-V820 PolarHBondContact O-N 3.3Å; V818-A821 PolarHBondContact O-N 3.29Å; V818-A821 VanDerWaalsContact O-N 3.17Å; V818-D822 PolarHBondContact O-N 2.9Å
819	L	91.2	Very high	90.1	Very high	42 Å²	42	53.6 Å²	53.6	22%	0.22	31%	0.311	C	S	.	.	H	α-helix	trans	-60.2	-42.9	176.3	-74.6	170.9	0	0	0	112.4	F564 L725 M805 Q815 A816 D822 I823	F564-L819 HydrophobicContact CE1-CD1 4.28Å; F564-L819 HydrophobicContact CZ-CD1 4.25Å; L725-L819 HydrophobicContact CD1-CB 4.25Å; M805-L819 HydrophobicContact CE-CD1 3.61Å; M805-L819 HydrophobicContact SD-CD1 3.75Å; Q815-L819 HydrophobicContact CG-CD1 4.29Å; Q815-L819 WeakPolarHBondContact O-CG 3.23Å; Q815-L819 PolarHBondContact O-N 3.29Å; A816-L819 PolarHBondContact O-N 3.34Å; L819-D822 PolarHBondContact O-N 2.7Å; L819-I823 WeakPolarHBondContact O-CB 3.23Å; L819-I823 WeakPolarHBondContact O-CD1 3.5Å; L819-I823 WeakPolarHBondContact O-CG1 3.32Å; L819-I823 PolarHBondContact O-N 3.25Å
820	V	93.7	Very high	89.9	Confident	4 Å²	4	61.7 Å²	61.7	2%	0.024	35%	0.346	C	S	.	.	H	α-helix	trans	-59.1	-48.2	174.4	166.8	0	0	0	0	110.2	L677 A678 L725 P809 A816 S817 V818 D822 I823 R824 M833	L677-V820 HydrophobicContact CB-CG1 4.48Å; L677-V820 HydrophobicContact CB-CG2 4.24Å; L677-V820 WeakPolarHBondContact O-CG1 3.46Å; A678-V820 HydrophobicContact CB-CG1 4.28Å; L725-V820 HydrophobicContact CD1-CG2 3.84Å; L725-V820 HydrophobicContact CD2-CG2 4.29Å; L725-V820 HydrophobicContact CG-CG2 4.22Å; P809-V820 HydrophobicContact CB-CG2 3.83Å; A816-V820 WeakPolarHBondContact O-CG2 3.36Å; A816-V820 PolarHBondContact O-N 3.3Å; S817-V820 PolarHBondContact O-N 3.14Å; V818-V820 VanDerWaalsContact C-N 3.35Å; V818-V820 PolarHBondContact O-N 3.3Å; V820-D822 VanDerWaalsContact C-N 3.34Å; V820-D822 PolarHBondContact O-N 3.47Å; V820-I823 PolarHBondContact O-N 3.48Å; V820-R824 HydrophobicContact CG1-CG 4.25Å; V820-R824 WeakPolarHBondContact O-CB 3.14Å; V820-R824 WeakPolarHBondContact O-CG 3.35Å; V820-R824 PolarHBondContact O-N 3.43Å; V820-M833 HydrophobicContact CG1-CG 4.24Å; V820-M833 HydrophobicContact CG1-SD 4.3Å
821	A	92.3	Very high	89.6	Confident	26 Å²	26	63.6 Å²	63.6	22%	0.215	35%	0.353	C	S	.	.	H	α-helix	trans	-60.4	-42.9	178.6	0	0	0	0	0	112.1	S817 V818 R824 K825	S817-A821 WeakPolarHBondContact O-CB 3.28Å; S817-A821 PolarHBondContact O-N 2.99Å; V818-A821 PolarHBondContact O-N 3.29Å; V818-A821 VanDerWaalsContact O-N 3.17Å; A821-R824 PolarHBondContact O-N 2.97Å; A821-K825 VanDerWaalsContact O-CB 3.29Å; A821-K825 WeakPolarHBondContact O-CB 3.42Å; A821-K825 PolarHBondContact O-N 2.82Å
822	D	89.7	Confident	89.3	Confident	86 Å²	86	61.6 Å²	61.6	46%	0.46	36%	0.357	S	S	.	.	H	α-helix	trans	-65.8	-42.5	178.3	-73	-23.8	0	0	0	112.3	V818 L819 V820 K825 R826	V818-D822 PolarHBondContact O-N 2.9Å; L819-D822 PolarHBondContact O-N 2.7Å; V820-D822 VanDerWaalsContact C-N 3.34Å; V820-D822 PolarHBondContact O-N 3.47Å; D822-K825 PolarHBondContact O-N 2.94Å; D822-R826 WeakPolarHBondContact O-CB 3.5Å; D822-R826 PolarHBondContact O-N 2.84Å
823	I	89.6	Confident	89.2	Confident	4 Å²	4	58 Å²	58	2%	0.021	33%	0.331	C	S	.	.	H	α-helix	trans	-62	-47	174.6	-67.6	163.3	0	0	0	110.3	F564 A678 E680 L819 V820 R826 K827	F564-I823 HydrophobicContact CD2-CD1 3.97Å; F564-I823 HydrophobicContact CG-CD1 4.4Å; A678-I823 HydrophobicContact CB-CB 4.01Å; A678-I823 HydrophobicContact CB-CG2 3.61Å; E680-I823 HydrophobicContact CG-CG2 4.36Å; L819-I823 WeakPolarHBondContact O-CB 3.23Å; L819-I823 WeakPolarHBondContact O-CD1 3.5Å; L819-I823 WeakPolarHBondContact O-CG1 3.32Å; L819-I823 PolarHBondContact O-N 3.25Å; V820-I823 PolarHBondContact O-N 3.48Å; I823-R826 PolarHBondContact O-N 2.62Å; I823-K827 HydrophobicContact CG2-CD 4.19Å; I823-K827 WeakPolarHBondContact O-CG 3.3Å; I823-K827 PolarHBondContact O-N 3.5Å
824	R	91.3	Very high	89.1	Confident	12 Å²	12	57.3 Å²	57.3	5%	0.045	31%	0.312	C	S	.	.	H	α-helix	trans	-60.4	-48.5	178.8	-72.3	174.9	77.8	69.5	11.9	111.2	L677 A678 V820 A821 R826 K827 G828 L829 K830 E831 A832	L677-R824 VanDerWaalsContact O-CD 3.26Å; L677-R824 WeakPolarHBondContact O-CD 3.04Å; L677-R824 PolarHBondContact O-NH1 2.88Å; A678-R824 HydrophobicContact CB-CG 4.17Å; V820-R824 HydrophobicContact CG1-CG 4.25Å; V820-R824 WeakPolarHBondContact O-CB 3.14Å; V820-R824 WeakPolarHBondContact O-CG 3.35Å; V820-R824 PolarHBondContact O-N 3.43Å; A821-R824 PolarHBondContact O-N 2.97Å; R824-R826 VanDerWaalsContact C-N 3.32Å; R824-R826 PolarHBondContact O-N 3.14Å; R824-K827 CarbonylContact O-C 3.6Å; R824-K827 PolarHBondContact O-N 3.3Å; R824-G828 PolarHBondContact O-N 2.83Å; R824-G828 VanDerWaalsContact O-N 3.16Å; R824-L829 HydrophobicContact CB-CB 3.95Å; R824-L829 HydrophobicContact CB-CD1 4.48Å; R824-L829 HydrophobicContact CG-CB 4.37Å; R824-L829 HydrophobicContact CG-CD1 4.23Å; R824-L829 WeakPolarHBondContact O-CA 3.36Å; R824-L829 WeakPolarHBondContact O-CB 3.42Å; R824-L829 PolarHBondContact O-N 3.08Å; R824-K830 VanDerWaalsContact CZ-O 3.22Å; R824-K830 PolarHBondContact NE-O 2.97Å; R824-K830 PolarHBondContact NH2-O 3.42Å; R824-E831 WeakPolarHBondContact CD-O 3.41Å; R824-E831 PolarHBondContact NE-O 3.18Å; R824-A832 PolarHBondContact NH2-O 2.97Å
825	K	88.4	Confident	89	Confident	130 Å²	130	59.6 Å²	59.6	57%	0.565	33%	0.327	S	S	*	.	H	α-helix	trans	-57	-45.6	177	-178.1	178.3	-179.3	174.3	0	111.7	A821 D822 K827 G828 E831	A821-K825 VanDerWaalsContact O-CB 3.29Å; A821-K825 WeakPolarHBondContact O-CB 3.42Å; A821-K825 PolarHBondContact O-N 2.82Å; D822-K825 PolarHBondContact O-N 2.94Å; K825-K827 VanDerWaalsContact C-N 3.35Å; K825-K827 PolarHBondContact O-N 2.89Å; K825-G828 PolarHBondContact O-N 2.73Å; K825-G828 VanDerWaalsContact O-N 3.11Å; K825-E831 HydrophobicContact CB-CG 4.26Å
826	R	83	Confident	89.1	Confident	90 Å²	90	57 Å²	57	34%	0.34	32%	0.316	S	S	.	.	H	α-helix	trans	-60.8	-42.8	177.6	-175.4	-174.2	66.7	-114.8	3.9	111.9	E680 D822 I823 R824 G828	E680-R826 IonicContact OE1-NH2 2.65Å; D822-R826 WeakPolarHBondContact O-CB 3.5Å; D822-R826 PolarHBondContact O-N 2.84Å; I823-R826 PolarHBondContact O-N 2.62Å; R824-R826 VanDerWaalsContact C-N 3.32Å; R824-R826 PolarHBondContact O-N 3.14Å; R826-G828 PolarHBondContact O-N 2.65Å
827	K	83.5	Confident	89.2	Confident	24 Å²	24	61 Å²	61	10%	0.104	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-1	177	-70.1	-178	179.1	171.2	0	114	A678 E679 E680 I823 R824 K825 L829	A678-K827 WeakPolarHBondContact O-CD 3.47Å; A678-K827 PolarHBondContact O-NZ 3.41Å; E679-K827 HydrophobicContact CB-CD 4.39Å; E679-K827 PolarHBondContact O-NZ 2.72Å; E680-K827 WeakPolarHBondContact OE1-CE 3.48Å; E680-K827 IonicContact OE1-NZ 3.46Å; E680-K827 PolarHBondContact OE1-NZ 2.99Å; I823-K827 HydrophobicContact CG2-CD 4.19Å; I823-K827 WeakPolarHBondContact O-CG 3.3Å; I823-K827 PolarHBondContact O-N 3.5Å; R824-K827 CarbonylContact O-C 3.6Å; R824-K827 PolarHBondContact O-N 3.3Å; K825-K827 VanDerWaalsContact C-N 3.35Å; K825-K827 PolarHBondContact O-N 2.89Å; K827-L829 VanDerWaalsContact C-N 3.27Å; K827-L829 HydrophobicContact CB-CD1 4.09Å; K827-L829 HydrophobicContact CB-CG 3.93Å; K827-L829 HydrophobicContact CD-CD1 4.34Å; K827-L829 PolarHBondContact O-N 3.24Å
828	G	83.7	Confident	89.1	Confident	67 Å²	67	65.6 Å²	65.6	69%	0.691	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.8	16.5	-175.6	0	0	0	0	0	114.1	R824 K825 R826	R824-G828 PolarHBondContact O-N 2.83Å; R824-G828 VanDerWaalsContact O-N 3.16Å; K825-G828 PolarHBondContact O-N 2.73Å; K825-G828 VanDerWaalsContact O-N 3.11Å; R826-G828 PolarHBondContact O-N 2.65Å
829	L	87.8	Confident	89.2	Confident	37 Å²	37	63.3 Å²	63.3	19%	0.194	35%	0.348	C	S	.	.			trans	-81.5	158.7	175.1	-55	174.5	0	0	0	110.6	E679 R824 K827 E831	E679-L829 HydrophobicContact CB-CD1 4.17Å; E679-L829 VanDerWaalsContact CD-CD1 3.47Å; E679-L829 HydrophobicContact CG-CD1 3.77Å; E679-L829 WeakPolarHBondContact OE1-CD2 3.37Å; R824-L829 HydrophobicContact CB-CB 3.95Å; R824-L829 HydrophobicContact CB-CD1 4.48Å; R824-L829 HydrophobicContact CG-CB 4.37Å; R824-L829 HydrophobicContact CG-CD1 4.23Å; R824-L829 WeakPolarHBondContact O-CA 3.36Å; R824-L829 WeakPolarHBondContact O-CB 3.42Å; R824-L829 PolarHBondContact O-N 3.08Å; K827-L829 VanDerWaalsContact C-N 3.27Å; K827-L829 HydrophobicContact CB-CD1 4.09Å; K827-L829 HydrophobicContact CB-CG 3.93Å; K827-L829 HydrophobicContact CD-CD1 4.34Å; K827-L829 PolarHBondContact O-N 3.24Å; L829-E831 PolarHBondContact O-N 2.85Å
830	K	89	Confident	89.4	Confident	177 Å²	177	63 Å²	63	77%	0.77	35%	0.345	S	S	*	.			trans	-60.5	127.6	169.7	-66.5	-179.5	-178.2	176.1	0	109.1	R824 A832	R824-K830 VanDerWaalsContact CZ-O 3.22Å; R824-K830 PolarHBondContact NE-O 2.97Å; R824-K830 PolarHBondContact NH2-O 3.42Å; K830-A832 PolarHBondContact O-N 3.01Å
831	E	86.1	Confident	89.4	Confident	115 Å²	115	64.7 Å²	64.7	54%	0.537	35%	0.354	S	S	.	.	S	Bend	trans	-54.8	-42	-179.3	-65.2	-177.3	-169.1	0	0	112	R824 K825 L829 M833	R824-E831 WeakPolarHBondContact CD-O 3.41Å; R824-E831 PolarHBondContact NE-O 3.18Å; K825-E831 HydrophobicContact CB-CG 4.26Å; L829-E831 PolarHBondContact O-N 2.85Å; E831-M833 PolarHBondContact O-N 2.88Å
832	A	86.4	Confident	89.2	Confident	78 Å²	78	72.5 Å²	72.5	65%	0.645	38%	0.384	S	S	*	.	S	Bend	trans	-69.2	131.3	171.3	0	0	0	0	0	111	R824 K830	R824-A832 PolarHBondContact NH2-O 2.97Å; K830-A832 PolarHBondContact O-N 3.01Å
833	M	86.8	Confident	88.5	Confident	45 Å²	45	75.8 Å²	75.8	22%	0.222	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-61.4	148.6	172.6	-78.2	-178.3	55.5	0	0	111.9	L677 L810 V820 E831	L677-M833 HydrophobicContact CD2-CE 3.39Å; L677-M833 HydrophobicContact CD2-SD 3.7Å; L810-M833 HydrophobicContact CD2-CE 3.59Å; L810-M833 HydrophobicContact CD2-SD 3.72Å; V820-M833 HydrophobicContact CG1-CG 4.24Å; V820-M833 HydrophobicContact CG1-SD 4.3Å; E831-M833 PolarHBondContact O-N 2.88Å
834	T	88.5	Confident	88.4	Confident	55 Å²	55	79.4 Å²	79.4	34%	0.337	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-64	125.9	171.9	-53.8	0	0	0	0	109.2	E838 F839	T834-E838 HydrophobicContact CG2-CB 3.69Å; T834-E838 HydrophobicContact CG2-CG 3.84Å; T834-F839 HydrophobicContact CG2-CE1 4.06Å; T834-F839 HydrophobicContact CG2-CE2 3.8Å; T834-F839 HydrophobicContact CG2-CZ 3.47Å; T834-F839 VanDerWaalsContact CG2-CZ 3.47Å
835	P	90.3	Very high	88.3	Confident	72 Å²	72	82.9 Å²	82.9	47%	0.468	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-69	148.7	-175.9	25.9	-31.2	0	0	0	111.3	S837 E838	P835-S837 PolarHBondContact O-N 3.36Å; P835-E838 HydrophobicContact CG-CG 3.96Å; P835-E838 WeakPolarHBondContact O-CB 3.44Å; P835-E838 PolarHBondContact O-N 2.92Å
836	L	92.5	Very high	88.3	Confident	43 Å²	43	80.3 Å²	80.3	23%	0.225	43%	0.432	C	S	.	.	G	3₁₀ helix	trans	-50.8	-32.7	-179.8	177.3	60.9	0	0	0	113.1	A716 I719 T720 E838 F839 E840	A716-L836 HydrophobicContact CB-CD1 3.78Å; I719-L836 HydrophobicContact CB-CD1 4.21Å; I719-L836 HydrophobicContact CG2-CB 4.23Å; I719-L836 HydrophobicContact CG2-CD1 4.09Å; T720-L836 HydrophobicContact CG2-CD1 4.09Å; T720-L836 HydrophobicContact CG2-CD2 3.71Å; L836-E838 PolarHBondContact O-N 3.44Å; L836-F839 PolarHBondContact O-N 3.19Å; L836-E840 HydrophobicContact CD1-CB 4.01Å; L836-E840 WeakPolarHBondContact CD2-OE2 3.18Å; L836-E840 HydrophobicContact CG-CB 4.13Å; L836-E840 PolarHBondContact O-N 3.09Å
837	S	92.6	Very high	88.6	Confident	83 Å²	83	79.7 Å²	79.7	58%	0.58	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-62.3	-19	179	54.5	0	0	0	0	114.9	P835 F839	P835-S837 PolarHBondContact O-N 3.36Å; S837-F839 VanDerWaalsContact C-N 3.32Å
838	E	92.4	Very high	88.9	Confident	116 Å²	116	83.2 Å²	83.2	54%	0.542	46%	0.458	S	S	.	.	G	3₁₀ helix	trans	-80	-19.7	174.4	-64.8	-64.9	149.9	0	0	111.9	R712 T834 P835 L836	R712-E838 VanDerWaalsContact CZ-O 3.31Å; R712-E838 PolarHBondContact NE-O 2.93Å; R712-E838 PolarHBondContact NH2-O 3.17Å; T834-E838 HydrophobicContact CG2-CB 3.69Å; T834-E838 HydrophobicContact CG2-CG 3.84Å; P835-E838 HydrophobicContact CG-CG 3.96Å; P835-E838 WeakPolarHBondContact O-CB 3.44Å; P835-E838 PolarHBondContact O-N 2.92Å; L836-E838 PolarHBondContact O-N 3.44Å
839	F	94.8	Very high	89.2	Confident	23 Å²	23	84.3 Å²	84.3	10%	0.101	44%	0.442	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-44.2	-177.3	-56.8	-48.6	0	0	0	112.1	S578 R712 Y715 A716 I719 T834 L836 S837	S578-F839 PolarHBondContact OG-O 3.28Å; R712-F839 HydrophobicContact CG-CD1 4.3Å; R712-F839 WeakPolarHBondContact O-CB 3.26Å; Y715-F839 HydrophobicContact CD2-CD1 4.05Å; Y715-F839 AromaticContact CD2-CE1 3.63Å; Y715-F839 HydrophobicContact CD2-CE1 3.63Å; Y715-F839 AromaticContact CD2-CZ 3.88Å; Y715-F839 HydrophobicContact CD2-CZ 3.88Å; Y715-F839 HydrophobicContact CE2-CE1 4.44Å; A716-F839 HydrophobicContact CB-CB 3.84Å; I719-F839 HydrophobicContact CD1-CD2 3.61Å; I719-F839 HydrophobicContact CD1-CE2 3.73Å; T834-F839 HydrophobicContact CG2-CE1 4.06Å; T834-F839 HydrophobicContact CG2-CE2 3.8Å; T834-F839 HydrophobicContact CG2-CZ 3.47Å; T834-F839 VanDerWaalsContact CG2-CZ 3.47Å; L836-F839 PolarHBondContact O-N 3.19Å; S837-F839 VanDerWaalsContact C-N 3.32Å
840	E	94.9	Very high	89.3	Confident	36 Å²	36	87.6 Å²	87.6	17%	0.168	46%	0.46	C	S	.	.	P	Polyproline II helix	trans	-90	119.1	179.8	-173.3	-177.9	-162.7	0	0	111	R574 V576 A716 L836	R574-E840 IonicContact CZ-OE1 3.51Å; R574-E840 IonicContact CZ-OE2 3.77Å; R574-E840 IonicContact NE-OE1 2.92Å; R574-E840 PolarHBondContact NE-OE1 3.11Å; R574-E840 IonicContact NE-OE2 3.82Å; R574-E840 IonicContact NH2-OE1 3.36Å; R574-E840 PolarHBondContact NH2-OE1 3.46Å; R574-E840 IonicContact NH2-OE2 2.88Å; R574-E840 PolarHBondContact NH2-OE2 2.77Å; V576-E840 HydrophobicContact CB-CG 4.28Å; V576-E840 HydrophobicContact CG1-CG 4.33Å; A716-E840 HydrophobicContact CB-CB 4.12Å; L836-E840 HydrophobicContact CD1-CB 4.01Å; L836-E840 WeakPolarHBondContact CD2-OE2 3.18Å; L836-E840 HydrophobicContact CG-CB 4.13Å; L836-E840 PolarHBondContact O-N 3.09Å
841	D	94.6	Very high	89.4	Confident	40 Å²	40	80.8 Å²	80.8	21%	0.214	44%	0.436	C	S	.	.	P	Polyproline II helix	trans	-94	140.2	172.7	-65.8	-47.7	0	0	0	110.4	M577 K579 R712	M577-D841 HydrophobicContact CE-CB 4.28Å; M577-D841 WeakPolarHBondContact CE-O 3.46Å; M577-D841 PolarHBondContact O-N 3.32Å; M577-D841 HydrophobicContact SD-CB 4.12Å; K579-D841 HydrophobicContact CB-CB 4.48Å; K579-D841 WeakPolarHBondContact CB-OD2 3.47Å; K579-D841 HydrophobicContact CD-CB 4.15Å; K579-D841 HydrophobicContact CG-CB 4.01Å; K579-D841 PolarHBondContact N-OD2 3.14Å; R712-D841 IonicContact CZ-OD1 2.79Å; R712-D841 IonicContact CZ-OD2 2.97Å; R712-D841 IonicContact NH1-OD1 3.34Å; R712-D841 IonicContact NH1-OD2 3.61Å; R712-D841 PolarHBondContact NH1-OD2 3.31Å; R712-D841 IonicContact NH2-OD1 2.96Å; R712-D841 PolarHBondContact NH2-OD1 2.96Å; R712-D841 IonicContact NH2-OD2 3.32Å; R712-D841 PolarHBondContact NH2-OD2 2.8Å
842	K	86.9	Confident	89.6	Confident	190 Å²	190	77.9 Å²	77.9	83%	0.826	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-81.8	149.5	170.1	-64.5	-178.6	-178.7	177.8	0	110.4	K579	K579-K842 WeakPolarHBondContact CE-O 3.43Å; K579-K842 PolarHBondContact NZ-O 2.75Å
843	L	75	Confident	89.9	Confident	154 Å²	154	77.9 Å²	77.9	81%	0.806	41%	0.408	S	S	*	.			trans	-54.9	0	179.4	-99.8	160.8	0	0	0	112.5	M577 K579	M577-L843 HydrophobicContact CE-CD2 4.46Å; M577-L843 HydrophobicContact CE-CG 4.06Å; K579-L843 PolarHBondContact NZ-OXT 2.73Å

Retrieved 843 of 843 residues in 3471.7 ms (Link to these results)

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