A0A2K5TXN0_MACFA Loading...

Peptidyl-prolyl cis-trans isomerase E

Catalyzes the cis-trans isomerization of proline imidic peptide bonds in proteins. Involved in pre-mRNA splicing as component of the spliceosome. Combines RNA-binding and PPIase activities. Binds mRNA and has a preference for single-stranded RNA molecules with poly-A and poly-U stretches, suggesting it binds to the poly(A)-region in the 3'-UTR of mRNA molecules. Catalyzes the cis-trans isomerization of proline imidic peptide bonds in proteins. Inhibits KMT2A activity; this requires proline isomerase activity.

AlphaFold DB , UniProt , Accession A0A2K5TXN0, Species MACFA (Macaca fascicularis, Crab-eating macaque), Gene PPIE, Length 301 aa.

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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	33.6	Very low	68.6	Low	239 Å²	239	85.1 Å²	85.1	100%	1.177	45%	0.453	S	S	*	.				0	128	0	-62.8	-162.3	-165.4	0	0	107.3	T3	M1-T3 PolarHBondContact O-N 2.97Å
2	A	37.7	Very low	69.8	Low	93 Å²	93	81 Å²	81	77%	0.769	45%	0.446	S	S	*	.			trans	-59.7	127.5	-178.2	0	0	0	0	0	109.1	T4	A2-T4 VanDerWaalsContact C-N 3.33Å; A2-T4 PolarHBondContact O-N 3.33Å
3	T	45	Very low	71	Confident	128 Å²	128	74.8 Å²	74.8	79%	0.785	41%	0.412	S	S	*	.			trans	-64.4	98.4	168	35.4	0	0	0	0	107.3	M1 K5	M1-T3 PolarHBondContact O-N 2.97Å; T3-K5 PolarHBondContact O-N 3.49Å
4	T	58.5	Low	71.8	Confident	101 Å²	101	69.9 Å²	69.9	62%	0.62	39%	0.386	S	S	*	.			trans	-62.9	108.9	177.5	9.9	0	0	0	0	108	A2 A57	A2-T4 VanDerWaalsContact C-N 3.33Å; A2-T4 PolarHBondContact O-N 3.33Å; T4-A57 VanDerWaalsContact CB-CB 3.47Å; T4-A57 HydrophobicContact CG2-CB 3.65Å
5	K	67.4	Low	72.3	Confident	112 Å²	112	72 Å²	72	49%	0.487	39%	0.392	S	S	.	.			trans	-74.9	131.8	-177.1	-62.4	174.5	-173.8	170.5	0	108.8	T3 L81	T3-K5 PolarHBondContact O-N 3.49Å; K5-L81 HydrophobicContact CB-CD2 4.14Å; K5-L81 HydrophobicContact CD-CB 4.36Å; K5-L81 HydrophobicContact CD-CD1 4.34Å
6	R	79.9	Confident	72.8	Confident	128 Å²	128	76.4 Å²	76.4	48%	0.483	41%	0.409	S	S	.	.			trans	-112.2	-9.7	-174.5	-61.8	179.7	-168.7	-175.3	-3.5	114.4	F54 A57	R6-F54 PolarHBondContact O-N 3.25Å; R6-A57 HydrophobicContact CG-CB 4.1Å
7	V	84.8	Confident	73.3	Confident	48 Å²	48	71.9 Å²	71.9	29%	0.291	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	126.6	-176.2	-173.1	0	0	0	0	109.7	F51 V52 E53 A82	V7-F51 HydrophobicContact CG1-CB 4.25Å; V7-F51 HydrophobicContact CG1-CD1 4.42Å; V7-V52 WeakPolarHBondContact CA-O 3.29Å; V7-E53 HydrophobicContact CG2-CB 4.21Å; V7-E53 HydrophobicContact CG2-CG 4.01Å; V7-A82 HydrophobicContact CB-CB 4.06Å; V7-A82 HydrophobicContact CG1-CB 3.78Å; V7-A82 VanDerWaalsContact O-CB 3.29Å; V7-A82 WeakPolarHBondContact O-CB 3.38Å; V7-A82 PolarHBondContact O-N 3.37Å
8	L	87.2	Confident	73.8	Confident	0 Å²	0	73.9 Å²	73.9	0%	0	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	141.5	174.9	-57.4	-171.1	0	0	0	110.3	F51 V52 F54 A60 A63 I64 V79 N80 L81	L8-F51 VanDerWaalsContact O-CA 3.24Å; L8-F51 WeakPolarHBondContact O-CA 3.4Å; L8-V52 PolarHBondContact N-O 2.79Å; L8-V52 PolarHBondContact O-N 3.39Å; L8-F54 HydrophobicContact CD1-CD2 4.05Å; L8-F54 HydrophobicContact CD1-CE2 3.64Å; L8-F54 HydrophobicContact CG-CD2 4.3Å; L8-F54 HydrophobicContact CG-CE2 4.31Å; L8-A60 HydrophobicContact CD1-CB 4.41Å; L8-A60 WeakPolarHBondContact CD1-O 3.21Å; L8-A60 HydrophobicContact CD2-CB 3.94Å; L8-A60 HydrophobicContact CG-CB 4.18Å; L8-A63 HydrophobicContact CD1-CB 3.73Å; L8-I64 HydrophobicContact CD1-CG1 4.13Å; L8-I64 HydrophobicContact CD2-CD1 3.39Å; L8-I64 HydrophobicContact CD2-CG1 3.54Å; L8-I64 HydrophobicContact CG-CG1 4.45Å; L8-V79 HydrophobicContact CB-CG1 4.25Å; L8-V79 HydrophobicContact CD1-CG1 3.95Å; L8-N80 CarbonylContact C-O 3.55Å; L8-N80 WeakPolarHBondContact CA-O 3.25Å; L8-L81 HydrophobicContact CD2-CD2 3.98Å
9	Y	87.6	Confident	74.3	Confident	83 Å²	83	74.1 Å²	74.1	33%	0.325	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	122.8	166.1	170.5	-95.4	0	0	0	108.2	F49 F51 V79 N80	Y9-F49 HydrophobicContact CD2-CD2 4.45Å; Y9-F49 HydrophobicContact CE2-CB 3.78Å; Y9-F49 AromaticContact CE2-CD2 3.74Å; Y9-F49 HydrophobicContact CE2-CD2 3.74Å; Y9-F49 AromaticContact CE2-CG 3.92Å; Y9-F49 HydrophobicContact CE2-CG 3.92Å; Y9-F51 HydrophobicContact CD2-CD1 4.2Å; Y9-F51 AromaticContact CD2-CE1 3.59Å; Y9-F51 HydrophobicContact CD2-CE1 3.59Å; Y9-F51 AromaticContact CD2-CZ 3.92Å; Y9-F51 HydrophobicContact CD2-CZ 3.92Å; Y9-F51 HydrophobicContact CE2-CZ 4.43Å; Y9-F51 HydrophobicContact CG-CE1 4.39Å; Y9-V79 CarbonylContact O-C 3.52Å; Y9-V79 WeakPolarHBondContact O-CA 3.18Å; Y9-N80 PolarHBondContact N-O 3.49Å; Y9-N80 PolarHBondContact O-N 2.73Å
10	V	87.6	Confident	74.8	Confident	0 Å²	0	79 Å²	79	0%	0	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	106.6	177.3	-174.5	0	0	0	0	107.7	L13 F26 F49 A50 V52 I77 R78 V79	V10-L13 HydrophobicContact CG1-CD2 3.79Å; V10-L13 HydrophobicContact CG1-CG 4.3Å; V10-F26 HydrophobicContact CG1-CE2 4.44Å; V10-F26 HydrophobicContact CG1-CZ 4.23Å; V10-F26 HydrophobicContact CG2-CE1 4.4Å; V10-F26 HydrophobicContact CG2-CE2 4.13Å; V10-F26 HydrophobicContact CG2-CZ 3.68Å; V10-F49 CarbonylContact O-C 3.32Å; V10-F49 WeakPolarHBondContact O-CA 3.39Å; V10-F49 WeakPolarHBondContact O-CB 3.23Å; V10-A50 PolarHBondContact N-O 3Å; V10-A50 PolarHBondContact O-N 3.19Å; V10-V52 HydrophobicContact CG2-CG2 4.01Å; V10-I77 HydrophobicContact CG1-CD1 4.31Å; V10-R78 CarbonylContact C-O 3.54Å; V10-R78 WeakPolarHBondContact CA-O 3.37Å; V10-V79 HydrophobicContact CG1-CG2 4.25Å; V10-V79 HydrophobicContact CG2-CG1 4.35Å; V10-V79 HydrophobicContact CG2-CG2 4.3Å
11	G	85.6	Confident	75.3	Confident	4 Å²	4	77.2 Å²	77.2	4%	0.041	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	161.9	177.4	0	0	0	0	0	112.5	I77 R78	G11-I77 CarbonylContact O-C 3.43Å; G11-I77 WeakPolarHBondContact O-CA 3.48Å; G11-R78 PolarHBondContact N-O 2.85Å; G11-R78 PolarHBondContact O-N 3.02Å
12	G	83	Confident	77.8	Confident	36 Å²	36	65.8 Å²	65.8	37%	0.371	35%	0.35	S	S	.	.			trans	84.7	21.5	176.6	0	0	0	0	0	113.9	G48	G12-G48 PolarHBondContact N-O 2.89Å
13	L	85.5	Confident	80	Confident	1 Å²	1	65.4 Å²	65.4	1%	0.005	33%	0.332	C	S	.	.			trans	-67.1	136.2	177.6	-61.5	177.6	0	0	0	110.8	V10 V17 L22 G48 A50 L72 I77	V10-L13 HydrophobicContact CG1-CD2 3.79Å; V10-L13 HydrophobicContact CG1-CG 4.3Å; L13-V17 HydrophobicContact CB-CB 4.44Å; L13-V17 HydrophobicContact CD2-CG1 4.25Å; L13-L22 HydrophobicContact CD1-CD1 3.91Å; L13-L22 HydrophobicContact CD1-CD2 4.2Å; L13-L22 HydrophobicContact CD2-CD2 3.87Å; L13-G48 PolarHBondContact N-O 2.94Å; L13-A50 HydrophobicContact CD1-CB 3.61Å; L13-L72 HydrophobicContact CD2-CD2 4.38Å; L13-I77 HydrophobicContact CD2-CG2 3.91Å
14	A	82.2	Confident	82	Confident	6 Å²	6	62.3 Å²	62.3	5%	0.05	32%	0.32	C	S	.	.			trans	-69	148.6	168.2	0	0	0	0	0	110	E16 V17 H46 F73 R75	A14-E16 PolarHBondContact O-N 3.15Å; A14-V17 HydrophobicContact CB-CG2 4.16Å; A14-V17 VanDerWaalsContact O-CB 3.31Å; A14-V17 WeakPolarHBondContact O-CB 3.5Å; A14-V17 WeakPolarHBondContact O-CG2 3.49Å; A14-V17 PolarHBondContact O-N 2.75Å; A14-H46 PolarHBondContact O-CE1 3.4Å; A14-H46 PolarHBondContact O-NE2 3.23Å; A14-F73 HydrophobicContact CB-CB 3.73Å; A14-R75 HydrophobicContact CB-CG 4.39Å
15	E	78.6	Confident	83.2	Confident	101 Å²	101	58.5 Å²	58.5	47%	0.472	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-14.4	-174.1	-163.7	-179.1	137.1	0	0	114.8	V17 K45 H46	E15-V17 VanDerWaalsContact C-N 3.34Å; E15-K45 HydrophobicContact CG-CB 4.48Å; E15-K45 HydrophobicContact CG-CD 4.02Å; E15-K45 HydrophobicContact CG-CG 4.2Å; E15-K45 WeakPolarHBondContact OE1-CD 3.39Å; E15-K45 WeakPolarHBondContact OE1-CE 3.11Å; E15-K45 IonicContact OE1-NZ 2.77Å; E15-K45 PolarHBondContact OE1-NZ 2.95Å; E15-H46 VanDerWaalsContact CA-NE2 3.28Å; E15-H46 WeakPolarHBondContact CA-NE2 3.39Å; E15-H46 PolarHBondContact O-NE2 3.24Å; E15-H46 VanDerWaalsContact O-NE2 3.16Å
16	E	79.9	Confident	84	Confident	143 Å²	143	53.1 Å²	53.1	67%	0.668	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	3.1	-179.3	-60.9	170.6	-177.8	0	0	112.4	A14 D18	A14-E16 PolarHBondContact O-N 3.15Å; E16-D18 PolarHBondContact O-N 2.97Å
17	V	82.3	Confident	84.3	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.273	C	S	.	.			trans	-91.4	105.9	-172.8	179.2	0	0	0	0	110.7	L13 A14 E15 V21 L22 H46 L72 F73	L13-V17 HydrophobicContact CB-CB 4.44Å; L13-V17 HydrophobicContact CD2-CG1 4.25Å; A14-V17 HydrophobicContact CB-CG2 4.16Å; A14-V17 VanDerWaalsContact O-CB 3.31Å; A14-V17 WeakPolarHBondContact O-CB 3.5Å; A14-V17 WeakPolarHBondContact O-CG2 3.49Å; A14-V17 PolarHBondContact O-N 2.75Å; E15-V17 VanDerWaalsContact C-N 3.34Å; V17-V21 HydrophobicContact CG1-CB 4.31Å; V17-V21 HydrophobicContact CG1-CG1 4.19Å; V17-L22 HydrophobicContact CG1-CD1 4.19Å; V17-L22 HydrophobicContact CG1-CD2 4Å; V17-L22 HydrophobicContact CG1-CG 3.69Å; V17-H46 PolarHBondContact O-CD2 2.94Å; V17-H46 PolarHBondContact O-NE2 3.05Å; V17-L72 HydrophobicContact CB-CD2 4.42Å; V17-L72 HydrophobicContact CG1-CD2 3.94Å; V17-L72 HydrophobicContact CG2-CD2 3.52Å; V17-F73 HydrophobicContact CG2-CD2 3.81Å; V17-F73 HydrophobicContact CG2-CE2 4.33Å; V17-F73 HydrophobicContact CG2-CG 4.37Å
18	D	81.9	Confident	84.4	Confident	108 Å²	108	53.6 Å²	53.6	58%	0.578	29%	0.29	S	S	*	.			trans	-88.2	166	173.2	-70.8	-43.4	0	0	0	113.2	E16 K20 V21 L22	E16-D18 PolarHBondContact O-N 2.97Å; D18-K20 PolarHBondContact O-N 2.77Å; D18-V21 WeakPolarHBondContact O-CB 3.45Å; D18-V21 PolarHBondContact O-N 2.83Å; D18-L22 PolarHBondContact O-N 3.1Å; D18-L22 VanDerWaalsContact O-N 3.14Å
19	D	83.4	Confident	84.3	Confident	77 Å²	77	56.2 Å²	56.2	41%	0.412	30%	0.301	S	S	.	.	H	α-helix	trans	-48.4	-43.9	172.8	175.3	72.5	0	0	0	113.4	V21 L22 H23 I35 I37	D19-V21 VanDerWaalsContact C-N 3.26Å; D19-V21 PolarHBondContact O-N 2.85Å; D19-L22 PolarHBondContact O-N 3.37Å; D19-H23 WeakPolarHBondContact O-CB 3.38Å; D19-H23 PolarHBondContact O-N 3.11Å; D19-I35 WeakPolarHBondContact OD1-CB 3.41Å; D19-I35 WeakPolarHBondContact OD1-CG2 3.36Å; D19-I37 HydrophobicContact CB-CD1 3.95Å
20	K	84.6	Confident	84.2	Confident	171 Å²	171	52.9 Å²	52.9	74%	0.743	29%	0.292	S	S	*	.	H	α-helix	trans	-62.7	-34.7	179.5	-65.1	179.5	-178.6	173.5	0	112.8	D18 A24	D18-K20 PolarHBondContact O-N 2.77Å; K20-A24 WeakPolarHBondContact O-CB 3.29Å; K20-A24 PolarHBondContact O-N 3.12Å
21	V	85.6	Confident	84	Confident	42 Å²	42	57.9 Å²	57.9	26%	0.255	32%	0.319	S	S	.	.	H	α-helix	trans	-72.4	-43.6	-179.9	175.8	0	0	0	0	109.7	V17 D18 D19 A24 A25 L72 F73	V17-V21 HydrophobicContact CG1-CB 4.31Å; V17-V21 HydrophobicContact CG1-CG1 4.19Å; D18-V21 WeakPolarHBondContact O-CB 3.45Å; D18-V21 PolarHBondContact O-N 2.83Å; D19-V21 VanDerWaalsContact C-N 3.26Å; D19-V21 PolarHBondContact O-N 2.85Å; V21-A24 PolarHBondContact O-N 3Å; V21-A25 WeakPolarHBondContact O-CB 3.37Å; V21-A25 PolarHBondContact O-N 3.25Å; V21-L72 HydrophobicContact CG1-CD2 4.45Å; V21-F73 HydrophobicContact CG1-CE2 3.48Å; V21-F73 VanDerWaalsContact CG1-CE2 3.48Å; V21-F73 HydrophobicContact CG1-CZ 4.01Å
22	L	85	Confident	84.1	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-63.2	-45	173.9	-73.2	170.2	0	0	0	111.2	L13 V17 D18 D19 A24 A25 F26 I35 I37 A50	L13-L22 HydrophobicContact CD1-CD1 3.91Å; L13-L22 HydrophobicContact CD1-CD2 4.2Å; L13-L22 HydrophobicContact CD2-CD2 3.87Å; V17-L22 HydrophobicContact CG1-CD1 4.19Å; V17-L22 HydrophobicContact CG1-CD2 4Å; V17-L22 HydrophobicContact CG1-CG 3.69Å; D18-L22 PolarHBondContact O-N 3.1Å; D18-L22 VanDerWaalsContact O-N 3.14Å; D19-L22 PolarHBondContact O-N 3.37Å; L22-A24 VanDerWaalsContact C-N 3.31Å; L22-A24 PolarHBondContact O-N 3.1Å; L22-A25 PolarHBondContact O-N 3.46Å; L22-A25 VanDerWaalsContact O-N 3.11Å; L22-F26 HydrophobicContact CD2-CD2 4.3Å; L22-F26 HydrophobicContact CD2-CE2 3.85Å; L22-F26 VanDerWaalsContact O-CD2 3.28Å; L22-F26 WeakPolarHBondContact O-CD2 3.48Å; L22-F26 PolarHBondContact O-N 3.13Å; L22-I35 HydrophobicContact CD1-CG2 4.41Å; L22-I37 HydrophobicContact CD1-CD1 3.69Å; L22-I37 HydrophobicContact CD1-CG1 4.02Å; L22-A50 HydrophobicContact CD1-CB 3.61Å
23	H	85.4	Confident	84.1	Confident	84 Å²	84	61.8 Å²	61.8	39%	0.389	33%	0.333	S	S	.	.	H	α-helix	trans	-56.8	-45.7	176.3	-170.3	-76.3	0	0	0	111.6	D19 A25 F26 I27 I35	D19-H23 WeakPolarHBondContact O-CB 3.38Å; D19-H23 PolarHBondContact O-N 3.11Å; H23-A25 VanDerWaalsContact C-N 3.34Å; H23-A25 PolarHBondContact O-N 3.32Å; H23-F26 PolarHBondContact O-N 3.49Å; H23-I27 WeakPolarHBondContact O-CB 3.37Å; H23-I27 PolarHBondContact O-N 3.45Å; H23-I35 HydrophobicContact CB-CD1 3.8Å
24	A	85.3	Confident	83.8	Confident	63 Å²	63	64.9 Å²	64.9	52%	0.521	35%	0.35	S	S	.	.	H	α-helix	trans	-67	-31.6	177.5	0	0	0	0	0	113.6	K20 V21 L22	K20-A24 WeakPolarHBondContact O-CB 3.29Å; K20-A24 PolarHBondContact O-N 3.12Å; V21-A24 PolarHBondContact O-N 3Å; L22-A24 VanDerWaalsContact C-N 3.31Å; L22-A24 PolarHBondContact O-N 3.1Å
25	A	84.3	Confident	83.9	Confident	21 Å²	21	65.7 Å²	65.7	17%	0.174	35%	0.353	C	S	.	.	H	α-helix	trans	-75.3	-32.9	178.4	0	0	0	0	0	112.7	V21 L22 H23 P28 F29 M67 L72	V21-A25 WeakPolarHBondContact O-CB 3.37Å; V21-A25 PolarHBondContact O-N 3.25Å; L22-A25 PolarHBondContact O-N 3.46Å; L22-A25 VanDerWaalsContact O-N 3.11Å; H23-A25 VanDerWaalsContact C-N 3.34Å; H23-A25 PolarHBondContact O-N 3.32Å; A25-P28 WeakPolarHBondContact O-CD 3.39Å; A25-F29 WeakPolarHBondContact O-CE2 3.32Å; A25-M67 HydrophobicContact CB-CE 4.09Å; A25-L72 HydrophobicContact CB-CD1 4.14Å
26	F	85.4	Confident	84	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-99.2	-18.6	-173.3	-76.3	-81	0	0	0	114.4	V10 L22 H23 P28 F29 I32 V52 F54 A63 M67 V79	V10-F26 HydrophobicContact CG1-CE2 4.44Å; V10-F26 HydrophobicContact CG1-CZ 4.23Å; V10-F26 HydrophobicContact CG2-CE1 4.4Å; V10-F26 HydrophobicContact CG2-CE2 4.13Å; V10-F26 HydrophobicContact CG2-CZ 3.68Å; L22-F26 HydrophobicContact CD2-CD2 4.3Å; L22-F26 HydrophobicContact CD2-CE2 3.85Å; L22-F26 VanDerWaalsContact O-CD2 3.28Å; L22-F26 WeakPolarHBondContact O-CD2 3.48Å; L22-F26 PolarHBondContact O-N 3.13Å; H23-F26 PolarHBondContact O-N 3.49Å; F26-P28 VanDerWaalsContact C-N 3.33Å; F26-F29 PolarHBondContact O-N 2.78Å; F26-F29 VanDerWaalsContact O-N 3.14Å; F26-I32 HydrophobicContact CB-CD1 3.58Å; F26-I32 HydrophobicContact CB-CG1 4.39Å; F26-V52 HydrophobicContact CB-CG1 4.47Å; F26-V52 HydrophobicContact CD2-CG2 4.33Å; F26-V52 HydrophobicContact CE2-CG2 4.46Å; F26-V52 HydrophobicContact CG-CG1 4.47Å; F26-F54 HydrophobicContact CB-CZ 4.02Å; F26-F54 HydrophobicContact CD1-CE2 4.28Å; F26-F54 AromaticContact CD1-CZ 3.98Å; F26-F54 HydrophobicContact CD1-CZ 3.98Å; F26-F54 HydrophobicContact CG-CZ 4.43Å; F26-A63 HydrophobicContact CD1-CB 4.23Å; F26-A63 HydrophobicContact CE1-CB 4.41Å; F26-M67 HydrophobicContact CE1-CB 4.13Å; F26-M67 HydrophobicContact CE1-CE 4.47Å; F26-M67 HydrophobicContact CE1-CG 4.01Å; F26-M67 HydrophobicContact CE2-CE 4.39Å; F26-M67 HydrophobicContact CZ-CB 4.39Å; F26-M67 HydrophobicContact CZ-CE 4.17Å; F26-M67 HydrophobicContact CZ-CG 4.47Å; F26-V79 HydrophobicContact CZ-CG2 4.25Å
27	I	85.1	Confident	84.2	Confident	87 Å²	87	61 Å²	61	45%	0.446	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-55.8	-31.7	176.2	-157.2	171.7	0	0	0	115.4	H23 F29 G30	H23-I27 WeakPolarHBondContact O-CB 3.37Å; H23-I27 PolarHBondContact O-N 3.45Å; I27-F29 PolarHBondContact O-N 2.85Å; I27-G30 PolarHBondContact O-N 2.61Å
28	P	87.8	Confident	84	Confident	98 Å²	98	62.9 Å²	62.9	64%	0.636	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-69.5	-17.3	-180	-18.9	34.8	0	0	0	113.4	A25 F26	A25-P28 WeakPolarHBondContact O-CD 3.39Å; F26-P28 VanDerWaalsContact C-N 3.33Å
29	F	84.9	Confident	83.8	Confident	55 Å²	55	63.4 Å²	63.4	24%	0.241	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-97.3	-16.9	-175.4	-56.5	-75.9	0	0	0	113	A25 F26 I27 F54 D59 A63 N66 M67	A25-F29 WeakPolarHBondContact O-CE2 3.32Å; F26-F29 PolarHBondContact O-N 2.78Å; F26-F29 VanDerWaalsContact O-N 3.14Å; I27-F29 PolarHBondContact O-N 2.85Å; F29-F54 HydrophobicContact CB-CE1 4.47Å; F29-D59 VanDerWaalsContact O-CB 3.27Å; F29-D59 WeakPolarHBondContact O-CB 3.44Å; F29-A63 HydrophobicContact CB-CB 3.94Å; F29-A63 HydrophobicContact CG-CB 4.22Å; F29-N66 HydrophobicContact CD1-CB 4.34Å; F29-N66 HydrophobicContact CE1-CB 3.5Å; F29-N66 VanDerWaalsContact CE1-CB 3.5Å; F29-N66 HydrophobicContact CZ-CB 3.94Å; F29-M67 HydrophobicContact CD2-CG 4.26Å; F29-M67 HydrophobicContact CE2-CG 3.6Å; F29-M67 HydrophobicContact CE2-SD 3.68Å; F29-M67 HydrophobicContact CZ-CG 3.88Å; F29-M67 HydrophobicContact CZ-SD 3.89Å
30	G	84.9	Confident	83.3	Confident	13 Å²	13	62.8 Å²	62.8	13%	0.134	34%	0.343	C	S	.	.	S	Bend	trans	161.9	174.3	176.9	0	0	0	0	0	113.5	I27 I32 D59	I27-G30 PolarHBondContact O-N 2.61Å; G30-I32 PolarHBondContact O-N 2.91Å; G30-D59 WeakPolarHBondContact CA-OD2 3.36Å
31	D	83.7	Confident	82	Confident	106 Å²	106	65.4 Å²	65.4	57%	0.567	35%	0.35	S	S	*	.			trans	-77.2	122.4	179	-70.6	-46	0	0	0	110.8	E55	D31-E55 HydrophobicContact CB-CB 4.47Å; D31-E55 PolarHBondContact O-N 2.79Å
32	I	86.5	Confident	81.3	Confident	33 Å²	33	71.8 Å²	71.8	17%	0.169	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	126.7	-177.8	-53.7	171.1	0	0	0	108.8	F26 G30 I35 V52 E53 F54	F26-I32 HydrophobicContact CB-CD1 3.58Å; F26-I32 HydrophobicContact CB-CG1 4.39Å; G30-I32 PolarHBondContact O-N 2.91Å; I32-I35 HydrophobicContact CD1-CD1 4.15Å; I32-I35 HydrophobicContact CG2-CD1 4.03Å; I32-I35 HydrophobicContact CG2-CG1 3.55Å; I32-V52 HydrophobicContact CD1-CG1 4.39Å; I32-V52 HydrophobicContact CG1-CG1 4.34Å; I32-V52 HydrophobicContact CG2-CG1 3.85Å; I32-E53 CarbonylContact C-O 3.6Å; I32-E53 WeakPolarHBondContact CG2-O 3.41Å; I32-F54 HydrophobicContact CG1-CE1 4.16Å; I32-F54 HydrophobicContact CG1-CZ 4.42Å
33	T	84.6	Confident	80.4	Confident	88 Å²	88	75.4 Å²	75.4	54%	0.54	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	-43.4	176.8	-57.1	0	0	0	0	111.9	E53 E55	T33-E53 PolarHBondContact N-O 3.02Å; T33-E55 PolarHBondContact OG1-N 3.22Å
34	D	79.6	Confident	79.4	Confident	67 Å²	67	80 Å²	80	36%	0.358	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	146.8	-177.5	-164.7	30.4	0	0	0	111.2	Q36 E53	D34-Q36 WeakPolarHBondContact OD2-CG 3.44Å; D34-Q36 PolarHBondContact OD2-NE2 2.72Å; D34-E53 HydrophobicContact CB-CB 4.2Å; D34-E53 PolarHBondContact N-O 3.13Å; D34-E53 PolarHBondContact O-N 2.89Å
35	I	83.1	Confident	78.8	Confident	23 Å²	23	81.7 Å²	81.7	12%	0.118	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	124	172.9	-55.7	-179.7	0	0	0	107.7	D19 L22 H23 I32 I37 F51	D19-I35 WeakPolarHBondContact OD1-CB 3.41Å; D19-I35 WeakPolarHBondContact OD1-CG2 3.36Å; L22-I35 HydrophobicContact CD1-CG2 4.41Å; H23-I35 HydrophobicContact CB-CD1 3.8Å; I32-I35 HydrophobicContact CD1-CD1 4.15Å; I32-I35 HydrophobicContact CG2-CD1 4.03Å; I32-I35 HydrophobicContact CG2-CG1 3.55Å; I35-I37 HydrophobicContact CG2-CG1 4.17Å; I35-F51 WeakPolarHBondContact CA-O 3.33Å
36	Q	80.8	Confident	78.6	Confident	109 Å²	109	81.6 Å²	81.6	51%	0.509	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	118.7	178.8	-62.9	-175.4	-4.2	0	0	110.2	D34 P38 A50 F51	D34-Q36 WeakPolarHBondContact OD2-CG 3.44Å; D34-Q36 PolarHBondContact OD2-NE2 2.72Å; Q36-P38 WeakPolarHBondContact O-CD 3.43Å; Q36-A50 CarbonylContact O-C 3.51Å; Q36-A50 WeakPolarHBondContact O-CA 3.34Å; Q36-F51 HydrophobicContact CB-CB 4.31Å; Q36-F51 PolarHBondContact N-O 2.82Å; Q36-F51 PolarHBondContact O-N 3.5Å
37	I	84.6	Confident	78	Confident	37 Å²	37	89 Å²	89	19%	0.19	44%	0.44	C	S	.	.			trans	-114.7	103.3	176.1	-52.7	177.2	0	0	0	107.8	D19 L22 I35 L39 H46 A50	D19-I37 HydrophobicContact CB-CD1 3.95Å; L22-I37 HydrophobicContact CD1-CD1 3.69Å; L22-I37 HydrophobicContact CD1-CG1 4.02Å; I35-I37 HydrophobicContact CG2-CG1 4.17Å; I37-L39 PolarHBondContact O-N 3.44Å; I37-H46 HydrophobicContact CG2-CB 3.25Å; I37-A50 HydrophobicContact CG1-CB 3.97Å
38	P	77.6	Confident	77.8	Confident	39 Å²	39	85.9 Å²	85.9	25%	0.253	43%	0.429	S	S	.	.			trans	-63.9	111.5	174.6	-27.6	39.8	0	0	0	110.9	Q36 R47 F49 F51	Q36-P38 WeakPolarHBondContact O-CD 3.43Å; P38-R47 PolarHBondContact O-N 3.05Å; P38-F49 HydrophobicContact CB-CE2 4.13Å; P38-F49 HydrophobicContact CB-CZ 4.08Å; P38-F49 HydrophobicContact CG-CD2 4.31Å; P38-F49 HydrophobicContact CG-CE2 3.62Å; P38-F49 HydrophobicContact CG-CZ 4.08Å; P38-F51 HydrophobicContact CG-CD2 4.44Å; P38-F51 HydrophobicContact CG-CE2 4.22Å
39	L	76.9	Confident	77.7	Confident	118 Å²	118	83 Å²	83	62%	0.618	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.8	141.5	174.3	-61.5	171.9	0	0	0	110	I37 H46	I37-L39 PolarHBondContact O-N 3.44Å; L39-H46 HydrophobicContact CD2-CB 3.86Å
40	D	74.8	Confident	77.9	Confident	64 Å²	64	80.3 Å²	80.3	34%	0.342	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	124.3	167.3	-159	-22.4	0	0	0	109	E42 T43 E44 K45 R47	D40-E42 VanDerWaalsContact C-N 3.26Å; D40-E42 PolarHBondContact O-N 3.32Å; D40-E42 PolarHBondContact OD1-N 3.46Å; D40-T43 PolarHBondContact O-N 3.34Å; D40-E44 WeakPolarHBondContact O-CA 3.3Å; D40-E44 PolarHBondContact O-N 3.22Å; D40-K45 PolarHBondContact N-O 3.27Å; D40-R47 HydrophobicContact CB-CG 4.04Å
41	Y	56.8	Low	78.1	Confident	226 Å²	226	82.5 Å²	82.5	89%	0.886	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-22.5	-172.5	-172.5	-103	0	0	0	112.3
42	E	69.5	Low	78.3	Confident	177 Å²	177	77.5 Å²	77.5	83%	0.827	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-29.4	179.2	-66.4	-172.6	167.9	0	0	112.9	D40	D40-E42 VanDerWaalsContact C-N 3.26Å; D40-E42 PolarHBondContact O-N 3.32Å; D40-E42 PolarHBondContact OD1-N 3.46Å
43	T	68	Low	78.3	Confident	76 Å²	76	79.2 Å²	79.2	47%	0.466	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.9	-0.5	-172.7	62.5	0	0	0	0	114.1	D40 K45	D40-T43 PolarHBondContact O-N 3.34Å; T43-K45 VanDerWaalsContact O-CG 3.29Å; T43-K45 WeakPolarHBondContact O-CG 3.41Å; T43-K45 PolarHBondContact O-N 3.32Å
44	E	64.4	Low	78.4	Confident	180 Å²	180	75 Å²	75	84%	0.841	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	22.6	-173.5	-66.9	-172.5	141.4	0	0	113.8	D40	D40-E44 WeakPolarHBondContact O-CA 3.3Å; D40-E44 PolarHBondContact O-N 3.22Å
45	K	72.8	Confident	78.5	Confident	99 Å²	99	77 Å²	77	43%	0.43	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	147.1	-173.8	-75.3	162	179.3	-167.8	0	109.8	E15 D40 T43	E15-K45 HydrophobicContact CG-CB 4.48Å; E15-K45 HydrophobicContact CG-CD 4.02Å; E15-K45 HydrophobicContact CG-CG 4.2Å; E15-K45 WeakPolarHBondContact OE1-CD 3.39Å; E15-K45 WeakPolarHBondContact OE1-CE 3.11Å; E15-K45 IonicContact OE1-NZ 2.77Å; E15-K45 PolarHBondContact OE1-NZ 2.95Å; D40-K45 PolarHBondContact N-O 3.27Å; T43-K45 VanDerWaalsContact O-CG 3.29Å; T43-K45 WeakPolarHBondContact O-CG 3.41Å; T43-K45 PolarHBondContact O-N 3.32Å
46	H	79.9	Confident	78.5	Confident	18 Å²	18	80.4 Å²	80.4	8%	0.083	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	146	177.8	63.9	83.3	0	0	0	111.5	A14 E15 V17 I37 L39 G48	A14-H46 PolarHBondContact O-CE1 3.4Å; A14-H46 PolarHBondContact O-NE2 3.23Å; E15-H46 VanDerWaalsContact CA-NE2 3.28Å; E15-H46 WeakPolarHBondContact CA-NE2 3.39Å; E15-H46 PolarHBondContact O-NE2 3.24Å; E15-H46 VanDerWaalsContact O-NE2 3.16Å; V17-H46 PolarHBondContact O-CD2 2.94Å; V17-H46 PolarHBondContact O-NE2 3.05Å; I37-H46 HydrophobicContact CG2-CB 3.25Å; L39-H46 HydrophobicContact CD2-CB 3.86Å; H46-G48 PolarHBondContact ND1-N 2.96Å; H46-G48 PolarHBondContact O-N 2.99Å
47	R	72.6	Confident	78.6	Confident	156 Å²	156	76.2 Å²	76.2	59%	0.589	37%	0.365	S	S	*	.			trans	-73.8	20	-174.8	-64.5	177.2	64.5	-173.1	1.8	114.5	P38 D40 F49	P38-R47 PolarHBondContact O-N 3.05Å; D40-R47 HydrophobicContact CB-CG 4.04Å; R47-F49 VanDerWaalsContact C-N 3.32Å; R47-F49 HydrophobicContact CB-CD1 3.92Å; R47-F49 HydrophobicContact CB-CE1 3.44Å; R47-F49 VanDerWaalsContact CB-CE1 3.44Å; R47-F49 HydrophobicContact CB-CZ 4.24Å; R47-F49 VanDerWaalsContact O-CD1 3.28Å; R47-F49 WeakPolarHBondContact O-CD1 3.35Å; R47-F49 PolarHBondContact O-N 3.2Å
48	G	81.1	Confident	78.6	Confident	21 Å²	21	82.3 Å²	82.3	22%	0.216	39%	0.392	C	S	.	.	S	Bend	trans	73.6	15.6	-178.7	0	0	0	0	0	115.3	G12 L13 H46	G12-G48 PolarHBondContact N-O 2.89Å; L13-G48 PolarHBondContact N-O 2.94Å; H46-G48 PolarHBondContact ND1-N 2.96Å; H46-G48 PolarHBondContact O-N 2.99Å
49	F	85.5	Confident	79	Confident	37 Å²	37	82.1 Å²	82.1	16%	0.162	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	157.9	173.1	65.7	-87.6	0	0	0	111.7	Y9 V10 P38 R47 F51	Y9-F49 HydrophobicContact CD2-CD2 4.45Å; Y9-F49 HydrophobicContact CE2-CB 3.78Å; Y9-F49 AromaticContact CE2-CD2 3.74Å; Y9-F49 HydrophobicContact CE2-CD2 3.74Å; Y9-F49 AromaticContact CE2-CG 3.92Å; Y9-F49 HydrophobicContact CE2-CG 3.92Å; V10-F49 CarbonylContact O-C 3.32Å; V10-F49 WeakPolarHBondContact O-CA 3.39Å; V10-F49 WeakPolarHBondContact O-CB 3.23Å; P38-F49 HydrophobicContact CB-CE2 4.13Å; P38-F49 HydrophobicContact CB-CZ 4.08Å; P38-F49 HydrophobicContact CG-CD2 4.31Å; P38-F49 HydrophobicContact CG-CE2 3.62Å; P38-F49 HydrophobicContact CG-CZ 4.08Å; R47-F49 VanDerWaalsContact C-N 3.32Å; R47-F49 HydrophobicContact CB-CD1 3.92Å; R47-F49 HydrophobicContact CB-CE1 3.44Å; R47-F49 VanDerWaalsContact CB-CE1 3.44Å; R47-F49 HydrophobicContact CB-CZ 4.24Å; R47-F49 VanDerWaalsContact O-CD1 3.28Å; R47-F49 WeakPolarHBondContact O-CD1 3.35Å; R47-F49 PolarHBondContact O-N 3.2Å; F49-F51 AromaticContact CD2-CE2 3.97Å; F49-F51 HydrophobicContact CD2-CE2 3.97Å; F49-F51 HydrophobicContact CD2-CZ 4.31Å; F49-F51 AromaticContact CE2-CE2 3.75Å; F49-F51 HydrophobicContact CE2-CE2 3.75Å; F49-F51 HydrophobicContact CE2-CZ 4.18Å
50	A	87.8	Confident	79.4	Confident	0 Å²	0	76.5 Å²	76.5	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	161.9	177.8	0	0	0	0	0	110.7	V10 L13 L22 Q36 I37	V10-A50 PolarHBondContact N-O 3Å; V10-A50 PolarHBondContact O-N 3.19Å; L13-A50 HydrophobicContact CD1-CB 3.61Å; L22-A50 HydrophobicContact CD1-CB 3.61Å; Q36-A50 CarbonylContact O-C 3.51Å; Q36-A50 WeakPolarHBondContact O-CA 3.34Å; I37-A50 HydrophobicContact CG1-CB 3.97Å
51	F	88.8	Confident	79.9	Confident	59 Å²	59	75.6 Å²	75.6	26%	0.259	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	134.8	169.1	-59.4	-86.4	0	0	0	109.3	V7 L8 Y9 I35 Q36 P38 F49 A82	V7-F51 HydrophobicContact CG1-CB 4.25Å; V7-F51 HydrophobicContact CG1-CD1 4.42Å; L8-F51 VanDerWaalsContact O-CA 3.24Å; L8-F51 WeakPolarHBondContact O-CA 3.4Å; Y9-F51 HydrophobicContact CD2-CD1 4.2Å; Y9-F51 AromaticContact CD2-CE1 3.59Å; Y9-F51 HydrophobicContact CD2-CE1 3.59Å; Y9-F51 AromaticContact CD2-CZ 3.92Å; Y9-F51 HydrophobicContact CD2-CZ 3.92Å; Y9-F51 HydrophobicContact CE2-CZ 4.43Å; Y9-F51 HydrophobicContact CG-CE1 4.39Å; I35-F51 WeakPolarHBondContact CA-O 3.33Å; Q36-F51 HydrophobicContact CB-CB 4.31Å; Q36-F51 PolarHBondContact N-O 2.82Å; Q36-F51 PolarHBondContact O-N 3.5Å; P38-F51 HydrophobicContact CG-CD2 4.44Å; P38-F51 HydrophobicContact CG-CE2 4.22Å; F49-F51 AromaticContact CD2-CE2 3.97Å; F49-F51 HydrophobicContact CD2-CE2 3.97Å; F49-F51 HydrophobicContact CD2-CZ 4.31Å; F49-F51 AromaticContact CE2-CE2 3.75Å; F49-F51 HydrophobicContact CE2-CE2 3.75Å; F49-F51 HydrophobicContact CE2-CZ 4.18Å; F51-A82 HydrophobicContact CD1-CB 4.16Å; F51-A82 HydrophobicContact CE1-CB 4.35Å
52	V	88.5	Confident	81.2	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	122.8	179.3	-176.8	0	0	0	0	107.9	V7 L8 V10 F26 I32 F54	V7-V52 WeakPolarHBondContact CA-O 3.29Å; L8-V52 PolarHBondContact N-O 2.79Å; L8-V52 PolarHBondContact O-N 3.39Å; V10-V52 HydrophobicContact CG2-CG2 4.01Å; F26-V52 HydrophobicContact CB-CG1 4.47Å; F26-V52 HydrophobicContact CD2-CG2 4.33Å; F26-V52 HydrophobicContact CE2-CG2 4.46Å; F26-V52 HydrophobicContact CG-CG1 4.47Å; I32-V52 HydrophobicContact CD1-CG1 4.39Å; I32-V52 HydrophobicContact CG1-CG1 4.34Å; I32-V52 HydrophobicContact CG2-CG1 3.85Å; V52-F54 HydrophobicContact CB-CE2 4.45Å; V52-F54 HydrophobicContact CG1-CD2 4.15Å; V52-F54 HydrophobicContact CG1-CE2 3.66Å; V52-F54 HydrophobicContact CG1-CZ 4.25Å
53	E	86	Confident	82.1	Confident	69 Å²	69	58.2 Å²	58.2	32%	0.322	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	123.7	176.4	-175.7	168.2	-159.4	0	0	110.2	V7 I32 T33 D34	V7-E53 HydrophobicContact CG2-CB 4.21Å; V7-E53 HydrophobicContact CG2-CG 4.01Å; I32-E53 CarbonylContact C-O 3.6Å; I32-E53 WeakPolarHBondContact CG2-O 3.41Å; T33-E53 PolarHBondContact N-O 3.02Å; D34-E53 HydrophobicContact CB-CB 4.2Å; D34-E53 PolarHBondContact N-O 3.13Å; D34-E53 PolarHBondContact O-N 2.89Å
54	F	86.4	Confident	83	Confident	1 Å²	1	55.8 Å²	55.8	0%	0.004	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	151.2	174.7	-77	-93.6	0	0	0	111.4	R6 L8 F26 F29 I32 V52 L56 D59 A60 A63	R6-F54 PolarHBondContact O-N 3.25Å; L8-F54 HydrophobicContact CD1-CD2 4.05Å; L8-F54 HydrophobicContact CD1-CE2 3.64Å; L8-F54 HydrophobicContact CG-CD2 4.3Å; L8-F54 HydrophobicContact CG-CE2 4.31Å; F26-F54 HydrophobicContact CB-CZ 4.02Å; F26-F54 HydrophobicContact CD1-CE2 4.28Å; F26-F54 AromaticContact CD1-CZ 3.98Å; F26-F54 HydrophobicContact CD1-CZ 3.98Å; F26-F54 HydrophobicContact CG-CZ 4.43Å; F29-F54 HydrophobicContact CB-CE1 4.47Å; I32-F54 HydrophobicContact CG1-CE1 4.16Å; I32-F54 HydrophobicContact CG1-CZ 4.42Å; V52-F54 HydrophobicContact CB-CE2 4.45Å; V52-F54 HydrophobicContact CG1-CD2 4.15Å; V52-F54 HydrophobicContact CG1-CE2 3.66Å; V52-F54 HydrophobicContact CG1-CZ 4.25Å; F54-L56 VanDerWaalsContact C-N 3.33Å; F54-L56 WeakPolarHBondContact CB-O 3.37Å; F54-D59 HydrophobicContact CB-CB 4.48Å; F54-D59 HydrophobicContact CD1-CB 3.82Å; F54-D59 HydrophobicContact CE1-CB 4.43Å; F54-D59 HydrophobicContact CG-CB 4.35Å; F54-A60 HydrophobicContact CB-CB 4.21Å; F54-A60 HydrophobicContact CD2-CB 4.1Å; F54-A60 HydrophobicContact CG-CB 4.34Å; F54-A63 HydrophobicContact CE2-CB 4.06Å; F54-A63 HydrophobicContact CZ-CB 3.9Å
55	E	82.8	Confident	84	Confident	109 Å²	109	53.6 Å²	53.6	51%	0.509	27%	0.273	S	S	.	.	S	Bend	trans	-63.4	-42.8	173	-175.6	169.1	-173.9	0	0	111	D31 T33	D31-E55 HydrophobicContact CB-CB 4.47Å; D31-E55 PolarHBondContact O-N 2.79Å; T33-E55 PolarHBondContact OG1-N 3.22Å
56	L	83.7	Confident	84.5	Confident	94 Å²	94	53.9 Å²	53.9	49%	0.492	28%	0.279	S	S	.	.	S	Bend	trans	-108.6	142.6	-179.8	-58.9	176.7	0	0	0	111.8	F54 E58 D59 A60	F54-L56 VanDerWaalsContact C-N 3.33Å; F54-L56 WeakPolarHBondContact CB-O 3.37Å; L56-E58 VanDerWaalsContact C-N 3.33Å; L56-D59 HydrophobicContact CB-CB 4.34Å; L56-A60 PolarHBondContact O-N 2.92Å
57	A	81.6	Confident	84.7	Confident	21 Å²	21	54 Å²	54	17%	0.174	28%	0.28	C	S	.	.	H	α-helix	trans	-78.7	-18.3	178.4	0	0	0	0	0	113.5	T4 R6 A61	T4-A57 VanDerWaalsContact CB-CB 3.47Å; T4-A57 HydrophobicContact CG2-CB 3.65Å; R6-A57 HydrophobicContact CG-CB 4.1Å; A57-A61 PolarHBondContact O-N 2.97Å
58	E	84.9	Confident	85.3	Confident	164 Å²	164	49.3 Å²	49.3	77%	0.766	27%	0.267	S	S	*	.	H	α-helix	trans	-71.8	-44.1	175.1	-64.9	-178.1	178.8	0	0	110.1	L56 A60 A61 A62	L56-E58 VanDerWaalsContact C-N 3.33Å; E58-A60 VanDerWaalsContact C-N 3.31Å; E58-A60 PolarHBondContact O-N 2.93Å; E58-A61 WeakPolarHBondContact O-CB 3.24Å; E58-A61 PolarHBondContact O-N 3.08Å; E58-A61 VanDerWaalsContact O-N 3.09Å; E58-A62 PolarHBondContact O-N 3.08Å
59	D	87.1	Confident	85.4	Confident	35 Å²	35	55.2 Å²	55.2	19%	0.187	29%	0.289	C	S	.	.	H	α-helix	trans	-59.2	-42.1	173.9	-61.5	0.2	0	0	0	111.8	F29 G30 F54 L56 A61 A62 A63	F29-D59 VanDerWaalsContact O-CB 3.27Å; F29-D59 WeakPolarHBondContact O-CB 3.44Å; G30-D59 WeakPolarHBondContact CA-OD2 3.36Å; F54-D59 HydrophobicContact CB-CB 4.48Å; F54-D59 HydrophobicContact CD1-CB 3.82Å; F54-D59 HydrophobicContact CE1-CB 4.43Å; F54-D59 HydrophobicContact CG-CB 4.35Å; L56-D59 HydrophobicContact CB-CB 4.34Å; D59-A61 VanDerWaalsContact C-N 3.29Å; D59-A61 PolarHBondContact O-N 2.75Å; D59-A62 PolarHBondContact O-N 2.68Å; D59-A63 WeakPolarHBondContact O-CB 3.29Å; D59-A63 PolarHBondContact O-N 3.18Å
60	A	83.8	Confident	85.2	Confident	0 Å²	0	55 Å²	55	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-61	-37.5	175.6	0	0	0	0	0	112.3	L8 F54 L56 E58 I64	L8-A60 HydrophobicContact CD1-CB 4.41Å; L8-A60 WeakPolarHBondContact CD1-O 3.21Å; L8-A60 HydrophobicContact CD2-CB 3.94Å; L8-A60 HydrophobicContact CG-CB 4.18Å; F54-A60 HydrophobicContact CB-CB 4.21Å; F54-A60 HydrophobicContact CD2-CB 4.1Å; F54-A60 HydrophobicContact CG-CB 4.34Å; L56-A60 PolarHBondContact O-N 2.92Å; E58-A60 VanDerWaalsContact C-N 3.31Å; E58-A60 PolarHBondContact O-N 2.93Å; A60-I64 WeakPolarHBondContact O-CD1 3.48Å; A60-I64 WeakPolarHBondContact O-CG1 3.5Å; A60-I64 PolarHBondContact O-N 2.83Å; A60-I64 VanDerWaalsContact O-N 3.17Å
61	A	84.8	Confident	84.9	Confident	46 Å²	46	62.4 Å²	62.4	38%	0.38	33%	0.326	S	S	.	.	H	α-helix	trans	-70.8	-43.4	176.7	0	0	0	0	0	111.6	A57 E58 D59 A63 I64 D65	A57-A61 PolarHBondContact O-N 2.97Å; E58-A61 WeakPolarHBondContact O-CB 3.24Å; E58-A61 PolarHBondContact O-N 3.08Å; E58-A61 VanDerWaalsContact O-N 3.09Å; D59-A61 VanDerWaalsContact C-N 3.29Å; D59-A61 PolarHBondContact O-N 2.75Å; A61-A63 VanDerWaalsContact C-N 3.29Å; A61-A63 PolarHBondContact O-N 2.82Å; A61-I64 PolarHBondContact O-N 2.87Å; A61-I64 VanDerWaalsContact O-N 3.16Å; A61-D65 PolarHBondContact O-N 3.43Å; A61-D65 VanDerWaalsContact O-N 3.1Å
62	A	86	Confident	84.5	Confident	38 Å²	38	60.5 Å²	60.5	31%	0.314	32%	0.319	S	S	.	.	H	α-helix	trans	-61.3	-39	175.6	0	0	0	0	0	112	E58 D59 D65 N66	E58-A62 PolarHBondContact O-N 3.08Å; D59-A62 PolarHBondContact O-N 2.68Å; A62-D65 PolarHBondContact O-N 2.82Å; A62-N66 PolarHBondContact O-N 3.12Å; A62-N66 PolarHBondContact O-ND2 2.92Å
63	A	86.6	Confident	83.8	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-64.7	-38.5	175	0	0	0	0	0	112.1	L8 F26 F29 F54 D59 A61 M67	L8-A63 HydrophobicContact CD1-CB 3.73Å; F26-A63 HydrophobicContact CD1-CB 4.23Å; F26-A63 HydrophobicContact CE1-CB 4.41Å; F29-A63 HydrophobicContact CB-CB 3.94Å; F29-A63 HydrophobicContact CG-CB 4.22Å; F54-A63 HydrophobicContact CE2-CB 4.06Å; F54-A63 HydrophobicContact CZ-CB 3.9Å; D59-A63 WeakPolarHBondContact O-CB 3.29Å; D59-A63 PolarHBondContact O-N 3.18Å; A61-A63 VanDerWaalsContact C-N 3.29Å; A61-A63 PolarHBondContact O-N 2.82Å; A63-M67 WeakPolarHBondContact O-CB 3.34Å; A63-M67 WeakPolarHBondContact O-CG 3.29Å; A63-M67 PolarHBondContact O-N 2.74Å
64	I	87.4	Confident	83.2	Confident	25 Å²	25	66 Å²	66	13%	0.128	36%	0.362	C	S	.	.	H	α-helix	trans	-62.4	-50.4	175.2	-69.2	158.5	0	0	0	110.9	L8 A60 A61 N66 N68 V79 L81	L8-I64 HydrophobicContact CD1-CG1 4.13Å; L8-I64 HydrophobicContact CD2-CD1 3.39Å; L8-I64 HydrophobicContact CD2-CG1 3.54Å; L8-I64 HydrophobicContact CG-CG1 4.45Å; A60-I64 WeakPolarHBondContact O-CD1 3.48Å; A60-I64 WeakPolarHBondContact O-CG1 3.5Å; A60-I64 PolarHBondContact O-N 2.83Å; A60-I64 VanDerWaalsContact O-N 3.17Å; A61-I64 PolarHBondContact O-N 2.87Å; A61-I64 VanDerWaalsContact O-N 3.16Å; I64-N66 VanDerWaalsContact C-N 3.26Å; I64-N66 PolarHBondContact O-N 3.41Å; I64-N68 WeakPolarHBondContact O-CB 3.31Å; I64-N68 PolarHBondContact O-N 2.86Å; I64-V79 HydrophobicContact CG1-CG1 3.93Å; I64-L81 HydrophobicContact CD1-CD2 3.47Å; I64-L81 VanDerWaalsContact CD1-CD2 3.47Å; I64-L81 HydrophobicContact CD1-CG 3.52Å
65	D	84.8	Confident	82.9	Confident	134 Å²	134	72.4 Å²	72.4	72%	0.717	39%	0.386	S	S	*	.	H	α-helix	trans	-66.3	-30.1	-173	-70.4	-20.1	0	0	0	112.5	A61 A62	A61-D65 PolarHBondContact O-N 3.43Å; A61-D65 VanDerWaalsContact O-N 3.1Å; A62-D65 PolarHBondContact O-N 2.82Å
66	N	84.5	Confident	82.9	Confident	105 Å²	105	71.1 Å²	71.1	56%	0.561	39%	0.386	S	S	*	.	H	α-helix	trans	-94.3	-29.5	-179.1	-69.4	-72.7	0	0	0	114.1	F29 A62 I64	F29-N66 HydrophobicContact CD1-CB 4.34Å; F29-N66 HydrophobicContact CE1-CB 3.5Å; F29-N66 VanDerWaalsContact CE1-CB 3.5Å; F29-N66 HydrophobicContact CZ-CB 3.94Å; A62-N66 PolarHBondContact O-N 3.12Å; A62-N66 PolarHBondContact O-ND2 2.92Å; I64-N66 VanDerWaalsContact C-N 3.26Å; I64-N66 PolarHBondContact O-N 3.41Å
67	M	84.4	Confident	83	Confident	20 Å²	20	66.7 Å²	66.7	10%	0.099	36%	0.362	C	S	.	.	H	α-helix	trans	-104.3	-15.7	-174.6	-63.4	-68.8	-77.7	0	0	114	A25 F26 F29 A63 E69 S70 I77 V79	A25-M67 HydrophobicContact CB-CE 4.09Å; F26-M67 HydrophobicContact CE1-CB 4.13Å; F26-M67 HydrophobicContact CE1-CE 4.47Å; F26-M67 HydrophobicContact CE1-CG 4.01Å; F26-M67 HydrophobicContact CE2-CE 4.39Å; F26-M67 HydrophobicContact CZ-CB 4.39Å; F26-M67 HydrophobicContact CZ-CE 4.17Å; F26-M67 HydrophobicContact CZ-CG 4.47Å; F29-M67 HydrophobicContact CD2-CG 4.26Å; F29-M67 HydrophobicContact CE2-CG 3.6Å; F29-M67 HydrophobicContact CE2-SD 3.68Å; F29-M67 HydrophobicContact CZ-CG 3.88Å; F29-M67 HydrophobicContact CZ-SD 3.89Å; A63-M67 WeakPolarHBondContact O-CB 3.34Å; A63-M67 WeakPolarHBondContact O-CG 3.29Å; A63-M67 PolarHBondContact O-N 2.74Å; M67-E69 PolarHBondContact O-N 2.9Å; M67-S70 PolarHBondContact O-N 2.89Å; M67-S70 PolarHBondContact O-OG 3.02Å; M67-I77 HydrophobicContact CB-CD1 4.43Å; M67-I77 HydrophobicContact CE-CD1 4.01Å; M67-I77 WeakPolarHBondContact O-CG1 3.45Å; M67-V79 HydrophobicContact CB-CG2 3.85Å
68	N	85.1	Confident	83.1	Confident	57 Å²	57	73.7 Å²	73.7	31%	0.305	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	125.2	173.6	-174.9	46.9	0	0	0	109.8	I64 S70 V79	I64-N68 WeakPolarHBondContact O-CB 3.31Å; I64-N68 PolarHBondContact O-N 2.86Å; N68-S70 VanDerWaalsContact C-N 3.28Å; N68-S70 PolarHBondContact O-N 3.01Å; N68-V79 HydrophobicContact CB-CB 4.19Å; N68-V79 PolarHBondContact OD1-N 3.22Å; N68-V79 PolarHBondContact OD1-O 2.84Å
69	E	82.2	Confident	83.3	Confident	146 Å²	146	65.9 Å²	65.9	68%	0.682	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.9	12.4	-174.9	-49.5	-176.6	167	0	0	115.2	M67 I77	M67-E69 PolarHBondContact O-N 2.9Å; E69-I77 VanDerWaalsContact CA-O 3.25Å; E69-I77 WeakPolarHBondContact CA-O 3.35Å; E69-I77 PolarHBondContact N-O 2.92Å
70	S	82.5	Confident	83.1	Confident	31 Å²	31	68.2 Å²	68.2	22%	0.217	36%	0.361	C	S	.	.			trans	-72.6	155.6	170.7	74.8	0	0	0	0	111.6	M67 N68 T76 I77	M67-S70 PolarHBondContact O-N 2.89Å; M67-S70 PolarHBondContact O-OG 3.02Å; N68-S70 VanDerWaalsContact C-N 3.28Å; N68-S70 PolarHBondContact O-N 3.01Å; S70-T76 CarbonylContact O-C 3.58Å; S70-T76 WeakPolarHBondContact O-CA 3.23Å; S70-I77 WeakPolarHBondContact O-CG1 3.4Å; S70-I77 PolarHBondContact O-N 3.06Å; S70-I77 WeakPolarHBondContact OG-CD1 3.47Å; S70-I77 WeakPolarHBondContact OG-CG1 3.27Å
71	E	80.7	Confident	83.1	Confident	157 Å²	157	72 Å²	72	73%	0.734	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.2	121.8	176.3	-70.9	-172.6	165.8	0	0	110.6	T76	E71-T76 HydrophobicContact CG-CG2 4.17Å
72	L	79.9	Confident	82.6	Confident	19 Å²	19	70.4 Å²	70.4	10%	0.099	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	116.5	174.4	-155	114.5	0	0	0	107.8	L13 V17 V21 A25 G74 R75 I77	L13-L72 HydrophobicContact CD2-CD2 4.38Å; V17-L72 HydrophobicContact CB-CD2 4.42Å; V17-L72 HydrophobicContact CG1-CD2 3.94Å; V17-L72 HydrophobicContact CG2-CD2 3.52Å; V21-L72 HydrophobicContact CG1-CD2 4.45Å; A25-L72 HydrophobicContact CB-CD1 4.14Å; L72-G74 VanDerWaalsContact C-N 3.31Å; L72-G74 PolarHBondContact O-N 2.82Å; L72-R75 PolarHBondContact N-O 3.38Å; L72-R75 PolarHBondContact O-N 3.37Å; L72-R75 VanDerWaalsContact O-O 3.13Å; L72-I77 HydrophobicContact CB-CG2 3.71Å
73	F	74.9	Confident	81.5	Confident	112 Å²	112	77.8 Å²	77.8	49%	0.491	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.2	43.4	-177.4	-66.2	-97.9	0	0	0	113.7	A14 V17 V21 R75	A14-F73 HydrophobicContact CB-CB 3.73Å; V17-F73 HydrophobicContact CG2-CD2 3.81Å; V17-F73 HydrophobicContact CG2-CE2 4.33Å; V17-F73 HydrophobicContact CG2-CG 4.37Å; V21-F73 HydrophobicContact CG1-CE2 3.48Å; V21-F73 VanDerWaalsContact CG1-CE2 3.48Å; V21-F73 HydrophobicContact CG1-CZ 4.01Å; F73-R75 PolarHBondContact O-N 2.77Å
74	G	73.6	Confident	79.7	Confident	72 Å²	72	82.2 Å²	82.2	74%	0.742	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	72	9.5	176.5	0	0	0	0	0	114.9	L72	L72-G74 VanDerWaalsContact C-N 3.31Å; L72-G74 PolarHBondContact O-N 2.82Å
75	R	79.1	Confident	77.5	Confident	136 Å²	136	89.3 Å²	89.3	51%	0.513	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	138.4	169.2	-69.2	-171.2	-179.7	171.6	1	110.2	A14 L72 F73 I77	A14-R75 HydrophobicContact CB-CG 4.39Å; L72-R75 PolarHBondContact N-O 3.38Å; L72-R75 PolarHBondContact O-N 3.37Å; L72-R75 VanDerWaalsContact O-O 3.13Å; F73-R75 PolarHBondContact O-N 2.77Å; R75-I77 PolarHBondContact O-N 3.18Å
76	T	82.6	Confident	75.1	Confident	81 Å²	81	93.1 Å²	93.1	50%	0.497	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	121.5	172.7	54	0	0	0	0	109.5	S70 E71	S70-T76 CarbonylContact O-C 3.58Å; S70-T76 WeakPolarHBondContact O-CA 3.23Å; E71-T76 HydrophobicContact CG-CG2 4.17Å
77	I	86.8	Confident	73	Confident	1 Å²	1	95.2 Å²	95.2	1%	0.005	47%	0.469	C	S	.	.			trans	-87.7	150.8	175.8	65.2	166.1	0	0	0	110.5	V10 G11 L13 M67 E69 S70 L72 R75 V79	V10-I77 HydrophobicContact CG1-CD1 4.31Å; G11-I77 CarbonylContact O-C 3.43Å; G11-I77 WeakPolarHBondContact O-CA 3.48Å; L13-I77 HydrophobicContact CD2-CG2 3.91Å; M67-I77 HydrophobicContact CB-CD1 4.43Å; M67-I77 HydrophobicContact CE-CD1 4.01Å; M67-I77 WeakPolarHBondContact O-CG1 3.45Å; E69-I77 VanDerWaalsContact CA-O 3.25Å; E69-I77 WeakPolarHBondContact CA-O 3.35Å; E69-I77 PolarHBondContact N-O 2.92Å; S70-I77 WeakPolarHBondContact O-CG1 3.4Å; S70-I77 PolarHBondContact O-N 3.06Å; S70-I77 WeakPolarHBondContact OG-CD1 3.47Å; S70-I77 WeakPolarHBondContact OG-CG1 3.27Å; L72-I77 HydrophobicContact CB-CG2 3.71Å; R75-I77 PolarHBondContact O-N 3.18Å; I77-V79 HydrophobicContact CD1-CG2 4.05Å; I77-V79 HydrophobicContact CG1-CG2 4.46Å
78	R	84.3	Confident	70.5	Confident	168 Å²	168	102.6 Å²	102.6	63%	0.634	50%	0.501	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.4	116	176.4	-69.6	-175	178.8	179.9	-0.3	109.1	V10 G11	V10-R78 CarbonylContact C-O 3.54Å; V10-R78 WeakPolarHBondContact CA-O 3.37Å; G11-R78 PolarHBondContact N-O 2.85Å; G11-R78 PolarHBondContact O-N 3.02Å
79	V	87.3	Confident	68.2	Low	0 Å²	0	109.2 Å²	109.2	0%	0	53%	0.53	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	122.2	-179.3	-171.7	0	0	0	0	108.5	L8 Y9 V10 F26 I64 M67 N68 I77	L8-V79 HydrophobicContact CB-CG1 4.25Å; L8-V79 HydrophobicContact CD1-CG1 3.95Å; Y9-V79 CarbonylContact O-C 3.52Å; Y9-V79 WeakPolarHBondContact O-CA 3.18Å; V10-V79 HydrophobicContact CG1-CG2 4.25Å; V10-V79 HydrophobicContact CG2-CG1 4.35Å; V10-V79 HydrophobicContact CG2-CG2 4.3Å; F26-V79 HydrophobicContact CZ-CG2 4.25Å; I64-V79 HydrophobicContact CG1-CG1 3.93Å; M67-V79 HydrophobicContact CB-CG2 3.85Å; N68-V79 HydrophobicContact CB-CB 4.19Å; N68-V79 PolarHBondContact OD1-N 3.22Å; N68-V79 PolarHBondContact OD1-O 2.84Å; I77-V79 HydrophobicContact CD1-CG2 4.05Å; I77-V79 HydrophobicContact CG1-CG2 4.46Å
80	N	84.6	Confident	66.3	Low	85 Å²	85	106.2 Å²	106.2	46%	0.455	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	158	179.3	-83.1	-72.2	0	0	0	110.6	L8 Y9 A82	L8-N80 CarbonylContact C-O 3.55Å; L8-N80 WeakPolarHBondContact CA-O 3.25Å; Y9-N80 PolarHBondContact N-O 3.49Å; Y9-N80 PolarHBondContact O-N 2.73Å; N80-A82 PolarHBondContact O-N 3.34Å
81	L	82.2	Confident	64	Low	80 Å²	80	109.4 Å²	109.4	42%	0.419	56%	0.561	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-60.6	122	168.3	-69.7	169.3	0	0	0	109.5	K5 L8 I64 K83	K5-L81 HydrophobicContact CB-CD2 4.14Å; K5-L81 HydrophobicContact CD-CB 4.36Å; K5-L81 HydrophobicContact CD-CD1 4.34Å; L8-L81 HydrophobicContact CD2-CD2 3.98Å; I64-L81 HydrophobicContact CD1-CD2 3.47Å; I64-L81 VanDerWaalsContact CD1-CD2 3.47Å; I64-L81 HydrophobicContact CD1-CG 3.52Å; L81-K83 PolarHBondContact O-N 3Å
82	A	74.2	Confident	62.2	Low	11 Å²	11	107.7 Å²	107.7	9%	0.091	57%	0.566	C	S	.	*	P	Polyproline II helix	trans	-62.6	134.6	177.2	0	0	0	0	0	109.3	V7 F51 N80	V7-A82 HydrophobicContact CB-CB 4.06Å; V7-A82 HydrophobicContact CG1-CB 3.78Å; V7-A82 VanDerWaalsContact O-CB 3.29Å; V7-A82 WeakPolarHBondContact O-CB 3.38Å; V7-A82 PolarHBondContact O-N 3.37Å; F51-A82 HydrophobicContact CD1-CB 4.16Å; F51-A82 HydrophobicContact CE1-CB 4.35Å; N80-A82 PolarHBondContact O-N 3.34Å
83	K	63.5	Low	60	Low	193 Å²	193	116.9 Å²	116.9	84%	0.839	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-67.6	129.8	165.8	-70.8	178.4	-177.2	171.5	0	106.2	L81 M85	L81-K83 PolarHBondContact O-N 3Å; K83-M85 PolarHBondContact O-N 2.85Å
84	P	48.9	Very low	58	Low	93 Å²	93	117.3 Å²	117.3	60%	0.604	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-55.5	139.7	174.3	24.6	-32.7	0	0	0	107.5	R86	P84-R86 PolarHBondContact O-N 2.9Å
85	M	41.3	Very low	56.1	Low	175 Å²	175	120.1 Å²	120.1	86%	0.862	62%	0.616	S	S	*	*			trans	-62.5	81.4	172.4	-166.4	157.9	107.4	0	0	108.1	K83 I87	K83-M85 PolarHBondContact O-N 2.85Å; M85-I87 VanDerWaalsContact C-N 3.26Å; M85-I87 PolarHBondContact O-N 2.83Å
86	R	34.9	Very low	54	Low	213 Å²	213	123.1 Å²	123.1	80%	0.804	63%	0.627	S	S	*	*			trans	-69.9	97.6	160.6	-75.6	-179.2	93.2	169.7	5.6	103.8	P84 K88	P84-R86 PolarHBondContact O-N 2.9Å; R86-K88 PolarHBondContact O-N 3.35Å
87	I	40	Very low	51.8	Low	149 Å²	149	124.2 Å²	124.2	76%	0.764	64%	0.638	S	S	*	*			trans	-52.4	99.3	154.3	-61.7	165.6	0	0	0	104.5	M85 E89	M85-I87 VanDerWaalsContact C-N 3.26Å; M85-I87 PolarHBondContact O-N 2.83Å; I87-E89 PolarHBondContact O-N 2.83Å
88	K	32.5	Very low	49.3	Very low	175 Å²	175	129 Å²	129	76%	0.761	66%	0.664	S	S	*	*			trans	-72.8	114.1	177.5	-84.4	-176	174.1	-178.7	0	106.9	R86 G90	R86-K88 PolarHBondContact O-N 3.35Å; K88-G90 PolarHBondContact O-N 2.71Å
89	E	37.2	Very low	47.6	Very low	197 Å²	197	125.8 Å²	125.8	92%	0.921	66%	0.66	S	S	*	*	S	Bend	trans	-49	124.2	152.3	-89.4	173.1	127.2	0	0	109.1	I87	I87-E89 PolarHBondContact O-N 2.83Å
90	G	42.2	Very low	45.4	Very low	83 Å²	83	132.1 Å²	132.1	86%	0.856	69%	0.693	S	S	*	*			trans	75.6	80.1	163	0	0	0	0	0	116.9	K88	K88-G90 PolarHBondContact O-N 2.71Å
91	S	34.1	Very low	43.5	Very low	98 Å²	98	138.2 Å²	138.2	69%	0.685	71%	0.71	S	S	*	*			trans	-149.2	87.8	156.9	166	0	0	0	0	109.2	R93	S91-R93 VanDerWaalsContact C-N 3.28Å; S91-R93 PolarHBondContact O-N 3.15Å
92	S	43	Very low	41.8	Very low	121 Å²	121	141.1 Å²	141.1	85%	0.846	73%	0.725	S	S	*	*			trans	-69	71.1	177.8	44.7	0	0	0	0	113
93	R	33.3	Very low	40.7	Very low	211 Å²	211	148.4 Å²	148.4	80%	0.796	76%	0.755	S	S	*	*			trans	-135	105.4	158.6	-69.5	-175.2	70.7	102.5	-1.8	109.2	S91 V95	S91-R93 VanDerWaalsContact C-N 3.28Å; S91-R93 PolarHBondContact O-N 3.15Å; R93-V95 PolarHBondContact O-N 2.79Å
94	P	33.5	Very low	40	Very low	121 Å²	121	147.5 Å²	147.5	79%	0.786	75%	0.751	S	S	*	*			trans	-59	118.7	164.1	-16.2	29.4	0	0	0	108
95	V	32.4	Very low	39.7	Very low	132 Å²	132	151.5 Å²	151.5	80%	0.8	76%	0.759	S	S	*	*	S	Bend	trans	-87.8	123.9	164.4	172.1	0	0	0	0	105.2	R93	R93-V95 PolarHBondContact O-N 2.79Å
96	W	34.6	Very low	39.4	Very low	198 Å²	198	148.2 Å²	148.2	75%	0.75	75%	0.753	S	S	*	*			trans	84	61.8	-174.2	-91.6	61.5	0	0	0	117.2	D98	W96-D98 HydrophobicContact CD2-CB 3.74Å; W96-D98 HydrophobicContact CE3-CB 3.79Å; W96-D98 HydrophobicContact CG-CB 4.46Å; W96-D98 HydrophobicContact CH2-CB 3.63Å; W96-D98 HydrophobicContact CZ2-CB 3.55Å; W96-D98 WeakPolarHBondContact CZ2-OD2 3.4Å; W96-D98 HydrophobicContact CZ3-CB 3.75Å; W96-D98 PolarHBondContact NE1-OD2 3.1Å
97	S	37.8	Very low	39.4	Very low	104 Å²	104	141.2 Å²	141.2	73%	0.727	75%	0.747	S	S	*	*				-79.2	105	112.1	-73.5	0	0	0	0	106.9
98	D	33.8	Very low	39	Very low	103 Å²	103	143.9 Å²	143.9	55%	0.551	75%	0.753	S	S	*	*			trans	-120.7	124.6	148.6	-90.1	-43.7	0	0	0	107	W96	W96-D98 HydrophobicContact CD2-CB 3.74Å; W96-D98 HydrophobicContact CE3-CB 3.79Å; W96-D98 HydrophobicContact CG-CB 4.46Å; W96-D98 HydrophobicContact CH2-CB 3.63Å; W96-D98 HydrophobicContact CZ2-CB 3.55Å; W96-D98 WeakPolarHBondContact CZ2-OD2 3.4Å; W96-D98 HydrophobicContact CZ3-CB 3.75Å; W96-D98 PolarHBondContact NE1-OD2 3.1Å
99	D	48.2	Very low	39	Very low	100 Å²	100	142.1 Å²	142.1	54%	0.535	76%	0.757	S	S	.	*			trans	-115.1	61.6	-147.6	-160.4	-26.5	0	0	0	108.7
100	D	40.9	Very low	38.8	Very low	133 Å²	133	141 Å²	141	71%	0.711	76%	0.757	S	S	*	*	S	Bend	trans	-129	-7	177.6	-98.7	-39	0	0	0	114.4
101	W	46.3	Very low	38.3	Very low	213 Å²	213	146.1 Å²	146.1	81%	0.807	76%	0.759	S	S	*	*	S	Bend	trans	-90.3	-40.3	177.4	-165.5	-3.8	0	0	0	112.3	K103 K104	W101-K103 VanDerWaalsContact C-N 3.3Å; W101-K103 PolarHBondContact O-N 3.19Å; W101-K104 PolarHBondContact O-N 2.95Å
102	L	45.8	Very low	38.1	Very low	141 Å²	141	151 Å²	151	74%	0.738	77%	0.77	S	S	*	*	H	α-helix	trans	-69.4	-25.2	-174.7	-128.5	77.9	0	0	0	113.6	S106	L102-S106 WeakPolarHBondContact O-CB 3.21Å
103	K	51.5	Low	37.3	Very low	163 Å²	163	153 Å²	153	71%	0.709	77%	0.772	S	S	*	*	H	α-helix	trans	-76	-22.9	177.9	-78.3	175.5	-176.1	158	0	114.1	W101	W101-K103 VanDerWaalsContact C-N 3.3Å; W101-K103 PolarHBondContact O-N 3.19Å
104	K	47.4	Very low	37	Very low	174 Å²	174	150.9 Å²	150.9	76%	0.757	77%	0.769	S	S	*	*	H	α-helix	trans	-89.2	-16.7	-172.6	-94.8	178.4	177.3	170.8	0	115.2	W101	W101-K104 PolarHBondContact O-N 2.95Å
105	F	43.4	Very low	36.6	Very low	178 Å²	178	152.1 Å²	152.1	78%	0.781	76%	0.764	S	S	*	*	H	α-helix	trans	-134.8	4.2	-171.8	-75.6	-80.6	0	0	0	116
106	S	34.3	Very low	36.3	Very low	105 Å²	105	153.3 Å²	153.3	73%	0.734	76%	0.761	S	S	*	*	S	Bend	trans	-95.4	7.3	-176.5	-175.1	0	0	0	0	115.4	L102	L102-S106 WeakPolarHBondContact O-CB 3.21Å
107	G	34.8	Very low	35.9	Very low	66 Å²	66	152.8 Å²	152.8	68%	0.68	77%	0.767	S	S	*	*			trans	-145.7	85.8	-172.8	0	0	0	0	0	114.1
108	K	33.3	Very low	35.2	Very low	205 Å²	205	151.3 Å²	151.3	89%	0.891	77%	0.767	S	S	*	*			trans	177.8	79.1	144.3	-101.4	173.9	-178.4	-170.9	0	110.9
109	T	31.1	Very low	34.8	Very low	138 Å²	138	152.7 Å²	152.7	85%	0.847	79%	0.785	S	S	*	*	S	Bend	trans	-158.5	86.7	154	25	0	0	0	0	106.9
110	L	33.9	Very low	33.9	Very low	174 Å²	174	157 Å²	157	91%	0.911	80%	0.802	S	S	*	*	S	Bend	trans	165	77.8	155.8	-91	159.1	0	0	0	107
111	E	30.7	Very low	33.7	Very low	191 Å²	191	156.1 Å²	156.1	89%	0.893	80%	0.804	S	S	*	*			trans	-173.5	116.5	147.8	-105.6	171.3	-154	0	0	107.2
112	E	29.8	Very low	32.9	Very low	199 Å²	199	152.2 Å²	152.2	93%	0.93	81%	0.806	S	S	*	*			trans	137.8	90.6	154.4	-76.7	179.3	169.7	0	0	111
113	N	26.9	Very low	32	Very low	163 Å²	163	155.2 Å²	155.2	87%	0.872	81%	0.813	S	S	*	*			trans	-135.9	98.8	159.3	-147.5	11.4	0	0	0	106.2
114	K	26.4	Very low	31	Very low	168 Å²	168	151.8 Å²	151.8	73%	0.73	82%	0.815	S	S	*	*			trans	-175.8	118.9	150	-105	-175.9	176	-160.9	0	112.5
115	E	26	Very low	30.1	Very low	147 Å²	147	153 Å²	153	69%	0.687	82%	0.823	S	S	*	*			trans	64.4	134.9	140.1	-65	159	-156.8	0	0	117.5
116	E	26.5	Very low	29.4	Very low	157 Å²	157	150 Å²	150	73%	0.734	82%	0.82	S	S	*	*			cis	-167.8	153.4	12.1	-112.9	174.2	-174.8	0	0	110.8
117	E	24.4	Very low	29.2	Very low	187 Å²	187	153.5 Å²	153.5	87%	0.874	82%	0.824	S	S	*	*			trans	46.7	120.6	149.2	-64	-169.7	153.5	0	0	125.4
118	G	24.6	Very low	29	Very low	72 Å²	72	159.9 Å²	159.9	74%	0.742	84%	0.836	S	S	*	*				116.1	102.9	116.6	0	0	0	0	0	120.1
119	S	25	Very low	28.9	Very low	133 Å²	133	153.8 Å²	153.8	93%	0.93	83%	0.832	S	S	*	*			trans	143.7	144	133	62.6	0	0	0	0	115.9
120	E	28.3	Very low	29.2	Very low	190 Å²	190	155.8 Å²	155.8	89%	0.888	83%	0.832	S	S	*	*			trans	-69.9	170.9	-164.6	-91.8	-177.6	153.8	0	0	117.8
121	P	36.8	Very low	29.5	Very low	115 Å²	115	153.5 Å²	153.5	75%	0.747	83%	0.827	S	S	*	*			trans	-103.5	169.8	-143.6	40.1	-35.7	0	0	0	115.1
122	P	29.9	Very low	29.8	Very low	131 Å²	131	148.8 Å²	148.8	85%	0.851	82%	0.821	S	S	*	*			trans	-124.6	157.6	146.3	30	-13.8	0	0	0	114.6
123	K	27.2	Very low	30.5	Very low	204 Å²	204	143.8 Å²	143.8	89%	0.887	81%	0.814	S	S	*	*			trans	-58.9	143.7	-169.2	-71	165.2	173.1	175.6	0	117.2
124	A	30.3	Very low	31.4	Very low	90 Å²	90	145.6 Å²	145.6	74%	0.744	81%	0.814	S	S	*	*				49	105.5	129.3	0	0	0	0	0	119.7
125	E	29.3	Very low	32.2	Very low	201 Å²	201	147.1 Å²	147.1	94%	0.939	82%	0.82	S	S	*	*			trans	-136.4	148.9	143.3	-72.2	-169.7	160.2	0	0	110
126	T	27.3	Very low	33.5	Very low	114 Å²	114	144.7 Å²	144.7	70%	0.699	83%	0.826	S	S	*	*			trans	-111.4	134.2	-160.5	-47.9	0	0	0	0	109.6
127	Q	30.8	Very low	35.4	Very low	178 Å²	178	146.5 Å²	146.5	83%	0.832	83%	0.826	S	S	*	*			trans	60.7	116	152.5	-70.8	168.3	23.8	0	0	120.2
128	E	30.7	Very low	38.5	Very low	200 Å²	200	142.8 Å²	142.8	94%	0.935	82%	0.82	S	S	*	*				-133.4	126.4	120.2	-77	-168.3	158.5	0	0	108.5
129	G	31.7	Very low	41.9	Very low	77 Å²	77	141 Å²	141	79%	0.794	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-73.7	125.9	-167.4	0	0	0	0	0	113.3
130	E	36.9	Very low	45.3	Very low	181 Å²	181	135.7 Å²	135.7	85%	0.846	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-53.1	136.5	155.5	-80.8	177.3	127.4	0	0	109.6	A132	E130-A132 PolarHBondContact O-N 3.28Å; E130-A132 VanDerWaalsContact O-N 3.07Å
131	P	39.4	Very low	48.6	Very low	125 Å²	125	130.7 Å²	130.7	81%	0.812	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-61.8	118.7	168.6	25.7	-30.2	0	0	0	107.8	A133	P131-A133 PolarHBondContact O-N 2.84Å; P131-A133 VanDerWaalsContact O-N 3.08Å
132	A	37.7	Very low	51.6	Low	92 Å²	92	125.2 Å²	125.2	76%	0.76	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-46.3	119.2	178.3	0	0	0	0	0	110.2	E130 K134	E130-A132 PolarHBondContact O-N 3.28Å; E130-A132 VanDerWaalsContact O-N 3.07Å; A132-K134 PolarHBondContact O-N 3.06Å
133	A	43.8	Very low	54.8	Low	95 Å²	95	121 Å²	121	79%	0.785	67%	0.665	S	S	*	*			trans	-48.4	114.5	170.3	0	0	0	0	0	108	P131 K135	P131-A133 PolarHBondContact O-N 2.84Å; P131-A133 VanDerWaalsContact O-N 3.08Å; A133-K135 PolarHBondContact O-N 2.92Å
134	K	46.8	Very low	58.3	Low	201 Å²	201	111.3 Å²	111.3	87%	0.874	62%	0.623	S	S	*	*			trans	-50	121.9	174.5	-72.8	178	-180	173.8	0	106.5	A132 A136	A132-K134 PolarHBondContact O-N 3.06Å; K134-A136 PolarHBondContact O-N 2.73Å
135	K	43.1	Very low	61.5	Low	199 Å²	199	108.9 Å²	108.9	87%	0.865	60%	0.597	S	S	*	*			trans	-46.1	115.2	173.1	-74.9	-176.2	177.5	-178.7	0	107.5	A133 R137	A133-K135 PolarHBondContact O-N 2.92Å; K135-R137 PolarHBondContact O-N 3.05Å
136	A	52.9	Low	64.8	Low	97 Å²	97	99.5 Å²	99.5	80%	0.802	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-55.2	119.1	177.1	0	0	0	0	0	107.2	K134 S138	K134-A136 PolarHBondContact O-N 2.73Å; A136-S138 PolarHBondContact O-N 2.66Å
137	R	66.8	Low	68.2	Low	194 Å²	194	97.7 Å²	97.7	73%	0.732	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-60.7	129.2	169.3	-74.8	-176.7	-173.6	175.9	2.6	106.2	K135	K135-R137 PolarHBondContact O-N 3.05Å
138	S	89.1	Confident	71.4	Confident	109 Å²	109	90 Å²	90	76%	0.762	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-61.8	139.1	172.4	-174.4	0	0	0	0	108.8	A136 P140 S162	A136-S138 PolarHBondContact O-N 2.66Å; S138-P140 WeakPolarHBondContact O-CD 3.48Å; S138-S162 PolarHBondContact O-OG 3.15Å
139	N	95.8	Very high	74.5	Confident	36 Å²	36	81.1 Å²	81.1	19%	0.193	46%	0.463	C	S	.	.	P	Polyproline II helix	trans	-69.5	122.5	174.4	-82.1	-16.6	0	0	0	109.5	L159 L160 S162 D163	N139-L159 HydrophobicContact CB-CD1 3.64Å; N139-L159 HydrophobicContact CB-CG 4.16Å; N139-L160 WeakPolarHBondContact CB-O 3.47Å; N139-L160 PolarHBondContact OD1-O 3.35Å; N139-S162 PolarHBondContact OD1-N 2.81Å; N139-S162 PolarHBondContact OD1-OG 3.44Å; N139-S162 VanDerWaalsContact OD1-OG 3.09Å; N139-D163 PolarHBondContact ND2-OD1 3.33Å; N139-D163 PolarHBondContact OD1-N 2.96Å; N139-D163 VanDerWaalsContact OD1-N 3.09Å; N139-D163 PolarHBondContact OD1-OD1 3.02Å
140	P	96.9	Very high	77.5	Confident	20 Å²	20	84.7 Å²	84.7	13%	0.13	46%	0.463	C	S	.	.	P	Polyproline II helix	trans	-63.2	145.7	178.7	-22.2	32.8	0	0	0	111.7	S138 L160 S162 R173	S138-P140 WeakPolarHBondContact O-CD 3.48Å; P140-L160 HydrophobicContact CB-CB 4.44Å; P140-L160 HydrophobicContact CB-CD1 4.33Å; P140-L160 PolarHBondContact O-N 2.83Å; P140-S162 WeakPolarHBondContact CD-OG 3.29Å; P140-R173 HydrophobicContact CB-CG 4.26Å
141	Q	97.9	Very high	80.3	Confident	85 Å²	85	83.7 Å²	83.7	40%	0.397	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	126.9	170.2	-70.1	-176	59.6	0	0	109.4	M158 L159 E299 Y300	Q141-M158 CarbonylContact C-O 3.53Å; Q141-M158 WeakPolarHBondContact CA-O 3.4Å; Q141-L159 HydrophobicContact CG-CD1 3.7Å; Q141-E299 WeakPolarHBondContact O-CA 3.27Å; Q141-E299 WeakPolarHBondContact O-CG 3.22Å; Q141-Y300 HydrophobicContact CB-CD2 4.22Å; Q141-Y300 PolarHBondContact O-N 3.12Å
142	V	98.6	Very high	83.1	Confident	0 Å²	0	83.3 Å²	83.3	0%	0	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	161.1	-178.6	-62.5	0	0	0	0	110.7	Q157 M158 L160 F172 R173 C176 G298 E299	V142-Q157 WeakPolarHBondContact O-CA 3.44Å; V142-M158 HydrophobicContact CG2-CB 4.04Å; V142-M158 HydrophobicContact CG2-CE 4.23Å; V142-M158 PolarHBondContact N-O 2.84Å; V142-M158 PolarHBondContact O-N 3.5Å; V142-L160 HydrophobicContact CG1-CD1 3.89Å; V142-L160 HydrophobicContact CG1-CG 4.49Å; V142-L160 HydrophobicContact CG2-CD1 4.01Å; V142-L160 HydrophobicContact CG2-CD2 3.93Å; V142-L160 HydrophobicContact CG2-CG 3.98Å; V142-F172 HydrophobicContact CG2-CD1 4.08Å; V142-F172 HydrophobicContact CG2-CE1 3.82Å; V142-R173 HydrophobicContact CG1-CG 4.2Å; V142-C176 HydrophobicContact CB-CB 4.25Å; V142-C176 HydrophobicContact CG1-CB 4.26Å; V142-G298 CarbonylContact C-O 3.55Å; V142-G298 VanDerWaalsContact CA-O 3.24Å; V142-G298 WeakPolarHBondContact CA-O 3.28Å; V142-G298 VanDerWaalsContact CB-O 3.29Å; V142-G298 WeakPolarHBondContact CB-O 3.34Å; V142-E299 HydrophobicContact CG1-CB 4.27Å; V142-E299 HydrophobicContact CG1-CG 4.4Å
143	Y	98.7	Very high	86	Confident	43 Å²	43	79.8 Å²	79.8	17%	0.169	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	156.5	178.2	69.4	-90.5	0	0	0	113.1	R155 I156 C297 G298 Y300	Y143-R155 HydrophobicContact CD2-CG 4.47Å; Y143-R155 VanDerWaalsContact CD2-CZ 3.48Å; Y143-I156 CarbonylContact C-O 3.6Å; Y143-I156 WeakPolarHBondContact CA-O 3.38Å; Y143-C297 WeakPolarHBondContact O-CA 3.4Å; Y143-C297 VanDerWaalsContact O-CB 3.25Å; Y143-C297 WeakPolarHBondContact O-CB 3.4Å; Y143-G298 WeakPolarHBondContact CD1-O 2.92Å; Y143-G298 PolarHBondContact N-O 2.97Å; Y143-G298 PolarHBondContact O-N 3.44Å; Y143-G298 VanDerWaalsContact O-N 3.16Å; Y143-Y300 HydrophobicContact CD1-CD1 4.45Å; Y143-Y300 HydrophobicContact CD1-CD2 4.19Å; Y143-Y300 HydrophobicContact CD1-CE1 4.15Å; Y143-Y300 AromaticContact CD1-CE2 3.92Å; Y143-Y300 HydrophobicContact CD1-CE2 3.92Å; Y143-Y300 HydrophobicContact CD1-CG 4.48Å; Y143-Y300 AromaticContact CD1-CZ 3.9Å; Y143-Y300 HydrophobicContact CG-CE2 4.19Å
144	M	98.8	Very high	88.5	Confident	1 Å²	1	76.8 Å²	76.8	1%	0.005	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	123.1	168.3	-71.1	177.8	-179	0	0	109.9	I146 R155 I156 M158 F172 F184 F248 I294 D296 C297	M144-I146 HydrophobicContact CB-CD1 4Å; M144-R155 WeakPolarHBondContact O-CA 3.49Å; M144-I156 PolarHBondContact N-O 2.76Å; M144-I156 PolarHBondContact O-N 2.91Å; M144-M158 HydrophobicContact CB-CE 4.16Å; M144-M158 HydrophobicContact CE-CE 4.27Å; M144-M158 HydrophobicContact CG-CE 3.71Å; M144-M158 HydrophobicContact SD-CE 3.9Å; M144-F172 HydrophobicContact CE-CE1 4.04Å; M144-F172 HydrophobicContact CE-CE2 4.22Å; M144-F172 HydrophobicContact CE-CZ 3.46Å; M144-F172 VanDerWaalsContact CE-CZ 3.46Å; M144-F184 HydrophobicContact CE-CB 4.32Å; M144-F184 HydrophobicContact CE-CD2 3.56Å; M144-F184 HydrophobicContact CE-CE2 4.08Å; M144-F184 HydrophobicContact CE-CG 4.1Å; M144-F248 HydrophobicContact CE-CE1 4.01Å; M144-F248 HydrophobicContact CE-CE2 4.46Å; M144-F248 HydrophobicContact CE-CZ 3.64Å; M144-F248 HydrophobicContact SD-CZ 3.86Å; M144-I294 HydrophobicContact CB-CG2 4.21Å; M144-I294 HydrophobicContact CE-CD1 4.05Å; M144-I294 HydrophobicContact CG-CG2 4.01Å; M144-I294 HydrophobicContact SD-CD1 3.65Å; M144-I294 HydrophobicContact SD-CG1 4.1Å; M144-I294 HydrophobicContact SD-CG2 4.43Å; M144-D296 CarbonylContact C-O 3.5Å; M144-D296 WeakPolarHBondContact CA-O 3.44Å; M144-C297 HydrophobicContact CG-CB 3.99Å
145	D	98.6	Very high	91	Very high	39 Å²	39	71.4 Å²	71.4	21%	0.209	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	121.3	168.7	-71.2	-40.4	0	0	0	109.3	R155 I294 A295 D296	D145-R155 WeakPolarHBondContact OD1-CB 3.35Å; D145-R155 IonicContact OD1-CZ 3.78Å; D145-R155 IonicContact OD1-NE 2.75Å; D145-R155 PolarHBondContact OD1-NE 2.86Å; D145-R155 IonicContact OD1-NH2 3.87Å; D145-R155 PolarHBondContact OD1-NH2 3.34Å; D145-R155 IonicContact OD2-CZ 2.75Å; D145-R155 IonicContact OD2-NE 2.72Å; D145-R155 IonicContact OD2-NH2 3.51Å; D145-R155 PolarHBondContact OD2-NH2 2.68Å; D145-I294 CarbonylContact O-C 3.6Å; D145-A295 PolarHBondContact O-N 3.07Å; D145-D296 HydrophobicContact CB-CB 4.13Å; D145-D296 PolarHBondContact N-O 2.59Å; D145-D296 PolarHBondContact O-N 2.96Å
146	I	98.6	Very high	93.6	Very high	4 Å²	4	62 Å²	62	2%	0.021	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	136.8	-170.4	-56.1	-61.2	0	0	0	110.5	M144 I148 A153 G154 I156 F189 V274 I278 V292 I293 I294	M144-I146 HydrophobicContact CB-CD1 4Å; I146-I148 HydrophobicContact CG2-CG1 4.23Å; I146-A153 HydrophobicContact CB-CB 4.35Å; I146-A153 HydrophobicContact CG2-CB 4.12Å; I146-A153 PolarHBondContact O-N 3.33Å; I146-G154 PolarHBondContact N-O 2.88Å; I146-I156 HydrophobicContact CD1-CD1 4.46Å; I146-I156 HydrophobicContact CG1-CD1 4.01Å; I146-I156 HydrophobicContact CG1-CG1 4.18Å; I146-F189 HydrophobicContact CD1-CE2 3.82Å; I146-V274 HydrophobicContact CB-CG1 3.97Å; I146-V274 HydrophobicContact CG1-CG1 4.01Å; I146-V274 HydrophobicContact CG2-CG1 4.44Å; I146-I278 HydrophobicContact CD1-CD1 4.2Å; I146-I278 HydrophobicContact CG1-CD1 4.07Å; I146-I278 HydrophobicContact CG2-CD1 3.92Å; I146-I278 HydrophobicContact CG2-CG1 3.94Å; I146-V292 HydrophobicContact CG2-CG1 3.85Å; I146-I293 WeakPolarHBondContact CA-O 3.41Å; I146-I294 HydrophobicContact CD1-CG1 4.25Å
147	K	98.5	Very high	95.8	Very high	75 Å²	75	59 Å²	59	33%	0.326	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	126	170.3	-168.6	179.1	70.1	176.4	0	110	G149 K151 V292 I293 A295	K147-G149 WeakPolarHBondContact CE-O 3.19Å; K147-K151 CarbonylContact C-O 3.59Å; K147-K151 WeakPolarHBondContact CA-O 3.27Å; K147-K151 WeakPolarHBondContact CG-O 3.42Å; K147-V292 CarbonylContact O-C 3.47Å; K147-V292 WeakPolarHBondContact O-CA 3.31Å; K147-I293 PolarHBondContact N-O 3.23Å; K147-I293 PolarHBondContact O-N 3.35Å; K147-A295 HydrophobicContact CB-CB 4.21Å
148	I	98.4	Very high	97.3	Very high	16 Å²	16	49.8 Å²	49.8	8%	0.082	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	117.3	174.7	-60.8	174	0	0	0	108.4	I146 N150 K151 A153 Q277 Q281 Q290 V292	I146-I148 HydrophobicContact CG2-CG1 4.23Å; I148-N150 PolarHBondContact O-N 2.77Å; I148-N150 VanDerWaalsContact O-N 3.13Å; I148-K151 PolarHBondContact N-O 2.79Å; I148-K151 PolarHBondContact O-N 3.3Å; I148-A153 HydrophobicContact CB-CB 4.45Å; I148-A153 HydrophobicContact CD1-CB 3.69Å; I148-A153 HydrophobicContact CG1-CB 3.79Å; I148-Q277 HydrophobicContact CD1-CB 3.83Å; I148-Q281 HydrophobicContact CD1-CG 4.36Å; I148-Q281 HydrophobicContact CG2-CG 3.75Å; I148-Q290 HydrophobicContact CG2-CB 4.2Å; I148-V292 HydrophobicContact CG1-CG1 4.28Å; I148-V292 HydrophobicContact CG1-CG2 4.22Å
149	G	96.1	Very high	97.8	Very high	15 Å²	15	46.2 Å²	46.2	16%	0.155	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	-114.8	-166.6	0	0	0	0	0	110.5	K147 K291	K147-G149 WeakPolarHBondContact CE-O 3.19Å; G149-K291 PolarHBondContact N-O 3.45Å
150	N	93.8	Very high	97.9	Very high	151 Å²	151	44.5 Å²	44.5	81%	0.807	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.9	9.3	177.2	-68.8	-28.3	0	0	0	113.4	I148	I148-N150 PolarHBondContact O-N 2.77Å; I148-N150 VanDerWaalsContact O-N 3.13Å
151	K	96.4	Very high	97.9	Very high	161 Å²	161	46.7 Å²	46.7	70%	0.7	24%	0.239	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-110.9	131.4	-176	-65.1	-177.7	179.9	-177.6	0	110.9	K147 I148 A153	K147-K151 CarbonylContact C-O 3.59Å; K147-K151 WeakPolarHBondContact CA-O 3.27Å; K147-K151 WeakPolarHBondContact CG-O 3.42Å; I148-K151 PolarHBondContact N-O 2.79Å; I148-K151 PolarHBondContact O-N 3.3Å; K151-A153 PolarHBondContact O-N 3.34Å
152	P	97.9	Very high	97.8	Very high	117 Å²	117	43.3 Å²	43.3	76%	0.76	23%	0.226	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-57.6	129.7	166	-20.8	32.8	0	0	0	109.7
153	A	97.7	Very high	97.6	Very high	17 Å²	17	47.5 Å²	47.5	14%	0.14	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	-25.1	179.8	0	0	0	0	0	112.4	I146 I148 K151 V274 Q277	I146-A153 HydrophobicContact CB-CB 4.35Å; I146-A153 HydrophobicContact CG2-CB 4.12Å; I146-A153 PolarHBondContact O-N 3.33Å; I148-A153 HydrophobicContact CB-CB 4.45Å; I148-A153 HydrophobicContact CD1-CB 3.69Å; I148-A153 HydrophobicContact CG1-CB 3.79Å; K151-A153 PolarHBondContact O-N 3.34Å; A153-V274 HydrophobicContact CB-CG1 4.29Å; A153-Q277 PolarHBondContact O-NE2 3.08Å
154	G	98.1	Very high	97.4	Very high	32 Å²	32	46.8 Å²	46.8	33%	0.33	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	133.7	-167.4	179.1	0	0	0	0	0	111.9	I146	I146-G154 PolarHBondContact N-O 2.88Å
155	R	98.5	Very high	97.3	Very high	88 Å²	88	46.7 Å²	46.7	33%	0.332	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	138.6	-178.8	-178	170.9	-72.5	-163.2	-7	110.6	Y143 M144 D145 Q157 G271 Y300	Y143-R155 HydrophobicContact CD2-CG 4.47Å; Y143-R155 VanDerWaalsContact CD2-CZ 3.48Å; M144-R155 WeakPolarHBondContact O-CA 3.49Å; D145-R155 WeakPolarHBondContact OD1-CB 3.35Å; D145-R155 IonicContact OD1-CZ 3.78Å; D145-R155 IonicContact OD1-NE 2.75Å; D145-R155 PolarHBondContact OD1-NE 2.86Å; D145-R155 IonicContact OD1-NH2 3.87Å; D145-R155 PolarHBondContact OD1-NH2 3.34Å; D145-R155 IonicContact OD2-CZ 2.75Å; D145-R155 IonicContact OD2-NE 2.72Å; D145-R155 IonicContact OD2-NH2 3.51Å; D145-R155 PolarHBondContact OD2-NH2 2.68Å; R155-Q157 HydrophobicContact CG-CG 4.41Å; R155-G271 WeakPolarHBondContact O-CA 3.18Å; R155-Y300 WeakPolarHBondContact CD-OH 3.4Å; R155-Y300 PolarHBondContact NH1-OH 3.03Å
156	I	98.5	Very high	97.3	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.01	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	126.5	167.3	-58.5	178.3	0	0	0	107.4	Y143 M144 I146 M158 L250 V268 V274 L275 I278	Y143-I156 CarbonylContact C-O 3.6Å; Y143-I156 WeakPolarHBondContact CA-O 3.38Å; M144-I156 PolarHBondContact N-O 2.76Å; M144-I156 PolarHBondContact O-N 2.91Å; I146-I156 HydrophobicContact CD1-CD1 4.46Å; I146-I156 HydrophobicContact CG1-CD1 4.01Å; I146-I156 HydrophobicContact CG1-CG1 4.18Å; I156-M158 HydrophobicContact CG2-CE 4.36Å; I156-M158 HydrophobicContact CG2-CG 3.94Å; I156-M158 HydrophobicContact CG2-SD 4.18Å; I156-L250 HydrophobicContact CD1-CD1 4.26Å; I156-V268 HydrophobicContact CG2-CB 4.47Å; I156-V268 HydrophobicContact CG2-CG1 3.86Å; I156-V268 HydrophobicContact CG2-CG2 3.83Å; I156-V274 HydrophobicContact CD1-CB 4.45Å; I156-V274 HydrophobicContact CD1-CG1 4.23Å; I156-V274 HydrophobicContact CG1-CB 3.9Å; I156-V274 HydrophobicContact CG1-CG1 3.89Å; I156-L275 HydrophobicContact CD1-CB 4.25Å; I156-I278 HydrophobicContact CD1-CD1 3.72Å
157	Q	98.4	Very high	97.2	Very high	33 Å²	33	51.4 Å²	51.4	15%	0.154	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	137.6	171.3	-53.6	-163.4	28.6	0	0	109.7	V142 R155 V268 T269 E270 Y300	V142-Q157 WeakPolarHBondContact O-CA 3.44Å; R155-Q157 HydrophobicContact CG-CG 4.41Å; Q157-V268 CarbonylContact O-C 3.43Å; Q157-V268 WeakPolarHBondContact O-CA 3.47Å; Q157-T269 PolarHBondContact O-N 2.81Å; Q157-T269 PolarHBondContact O-OG1 3.17Å; Q157-E270 HydrophobicContact CB-CB 3.94Å; Q157-E270 HydrophobicContact CB-CG 4.49Å; Q157-E270 VanDerWaalsContact CD-OE2 3.26Å; Q157-E270 HydrophobicContact CG-CB 3.92Å; Q157-E270 HydrophobicContact CG-CG 4.49Å; Q157-E270 PolarHBondContact N-O 3.09Å; Q157-E270 PolarHBondContact NE2-OE2 2.94Å; Q157-E270 PolarHBondContact O-N 2.9Å; Q157-Y300 HydrophobicContact CB-CE2 4.31Å; Q157-Y300 VanDerWaalsContact CD-CE2 3.47Å; Q157-Y300 HydrophobicContact CG-CE2 3.78Å; Q157-Y300 PolarHBondContact NE2-OH 2.78Å; Q157-Y300 VanDerWaalsContact NE2-OH 3.15Å
158	M	98.6	Very high	97.2	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	134.9	-174.1	-65.2	158.6	-72.7	0	0	110.4	Q141 V142 M144 I156 F172 L234 L250 E267 V268	Q141-M158 CarbonylContact C-O 3.53Å; Q141-M158 WeakPolarHBondContact CA-O 3.4Å; V142-M158 HydrophobicContact CG2-CB 4.04Å; V142-M158 HydrophobicContact CG2-CE 4.23Å; V142-M158 PolarHBondContact N-O 2.84Å; V142-M158 PolarHBondContact O-N 3.5Å; M144-M158 HydrophobicContact CB-CE 4.16Å; M144-M158 HydrophobicContact CE-CE 4.27Å; M144-M158 HydrophobicContact CG-CE 3.71Å; M144-M158 HydrophobicContact SD-CE 3.9Å; I156-M158 HydrophobicContact CG2-CE 4.36Å; I156-M158 HydrophobicContact CG2-CG 3.94Å; I156-M158 HydrophobicContact CG2-SD 4.18Å; M158-F172 HydrophobicContact CE-CE1 4.44Å; M158-F172 HydrophobicContact SD-CE1 4.41Å; M158-F172 HydrophobicContact SD-CZ 4.35Å; M158-L234 HydrophobicContact CB-CD1 3.77Å; M158-L234 HydrophobicContact CG-CD1 3.9Å; M158-L234 HydrophobicContact CG-CG 4.44Å; M158-L234 HydrophobicContact SD-CD1 3.72Å; M158-L234 HydrophobicContact SD-CD2 3.93Å; M158-L234 HydrophobicContact SD-CG 4.11Å; M158-L250 HydrophobicContact SD-CD2 4.49Å; M158-E267 CarbonylContact C-O 3.57Å; M158-E267 WeakPolarHBondContact CA-O 3.36Å; M158-V268 HydrophobicContact CG-CG2 4.06Å
159	L	98.4	Very high	97.2	Very high	34 Å²	34	47.1 Å²	47.1	18%	0.178	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	128.7	169.3	-176.5	71.3	0	0	0	109.2	N139 Q141 G266 E267 T269	N139-L159 HydrophobicContact CB-CD1 3.64Å; N139-L159 HydrophobicContact CB-CG 4.16Å; Q141-L159 HydrophobicContact CG-CD1 3.7Å; L159-G266 CarbonylContact O-C 3.57Å; L159-G266 WeakPolarHBondContact O-CA 3.45Å; L159-E267 HydrophobicContact CB-CG 4.38Å; L159-E267 PolarHBondContact N-O 2.84Å; L159-E267 PolarHBondContact O-N 3.05Å; L159-T269 HydrophobicContact CB-CG2 3.68Å
160	L	98.4	Very high	97.3	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	128.9	177.2	-51.6	-176.4	0	0	0	110.1	N139 P140 V142 S162 A169 F172 R173 L234 F265	N139-L160 WeakPolarHBondContact CB-O 3.47Å; N139-L160 PolarHBondContact OD1-O 3.35Å; P140-L160 HydrophobicContact CB-CB 4.44Å; P140-L160 HydrophobicContact CB-CD1 4.33Å; P140-L160 PolarHBondContact O-N 2.83Å; V142-L160 HydrophobicContact CG1-CD1 3.89Å; V142-L160 HydrophobicContact CG1-CG 4.49Å; V142-L160 HydrophobicContact CG2-CD1 4.01Å; V142-L160 HydrophobicContact CG2-CD2 3.93Å; V142-L160 HydrophobicContact CG2-CG 3.98Å; L160-S162 VanDerWaalsContact C-N 3.26Å; L160-S162 PolarHBondContact O-N 3.36Å; L160-A169 HydrophobicContact CB-CB 3.98Å; L160-A169 WeakPolarHBondContact CD1-O 3.04Å; L160-F172 HydrophobicContact CD1-CB 4.35Å; L160-F172 HydrophobicContact CD1-CD1 3.93Å; L160-F172 HydrophobicContact CD2-CD1 3.66Å; L160-F172 HydrophobicContact CD2-CE1 4.1Å; L160-F172 HydrophobicContact CD2-CG 4.42Å; L160-F172 HydrophobicContact CG-CD1 4.45Å; L160-R173 HydrophobicContact CD1-CB 3.91Å; L160-L234 HydrophobicContact CD2-CD1 3.76Å; L160-F265 HydrophobicContact CD2-CD2 4.23Å; L160-F265 HydrophobicContact CD2-CE2 4.13Å
161	R	97.7	Very high	97.5	Very high	66 Å²	66	42.4 Å²	42.4	25%	0.249	22%	0.223	C	C	.	.			trans	-82.7	64.3	-176.8	-67.5	-63.3	-57.1	-91.5	0.8	111.9	D163 V164 V165 L226 F265	R161-D163 VanDerWaalsContact C-OD1 3.3Å; R161-D163 VanDerWaalsContact CA-OD1 3.29Å; R161-D163 WeakPolarHBondContact CA-OD1 3.22Å; R161-D163 IonicContact CZ-OD1 3.66Å; R161-D163 IonicContact CZ-OD2 2.96Å; R161-D163 IonicContact NE-OD1 2.73Å; R161-D163 PolarHBondContact NE-OD1 3Å; R161-D163 IonicContact NE-OD2 2.74Å; R161-D163 PolarHBondContact NE-OD2 3.49Å; R161-D163 IonicContact NH2-OD1 3.45Å; R161-D163 IonicContact NH2-OD2 3.63Å; R161-D163 PolarHBondContact NH2-OD2 2.82Å; R161-D163 PolarHBondContact O-N 3.11Å; R161-V164 HydrophobicContact CB-CB 4.49Å; R161-V164 VanDerWaalsContact NH2-CG2 3.28Å; R161-V164 PolarHBondContact O-N 2.93Å; R161-V165 HydrophobicContact CB-CG2 4.5Å; R161-V165 WeakPolarHBondContact O-CG2 3.31Å; R161-V165 PolarHBondContact O-N 3.32Å; R161-L226 HydrophobicContact CB-CD1 3.73Å; R161-L226 HydrophobicContact CG-CD1 3.78Å; R161-F265 PolarHBondContact N-O 2.87Å
162	S	96.1	Very high	97.6	Very high	15 Å²	15	34.8 Å²	34.8	11%	0.105	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-18.1	177.6	73.4	0	0	0	0	112.9	S138 N139 P140 L160 V164 P166	S138-S162 PolarHBondContact O-OG 3.15Å; N139-S162 PolarHBondContact OD1-N 2.81Å; N139-S162 PolarHBondContact OD1-OG 3.44Å; N139-S162 VanDerWaalsContact OD1-OG 3.09Å; P140-S162 WeakPolarHBondContact CD-OG 3.29Å; L160-S162 VanDerWaalsContact C-N 3.26Å; L160-S162 PolarHBondContact O-N 3.36Å; S162-V164 VanDerWaalsContact C-N 3.3Å; S162-P166 WeakPolarHBondContact O-CB 3.49Å; S162-P166 WeakPolarHBondContact O-CD 3.38Å
163	D	93.9	Very high	97.7	Very high	87 Å²	87	30.4 Å²	30.4	47%	0.465	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-25.6	169.9	65.2	-50.2	0	0	0	113.8	N139 R161	N139-D163 PolarHBondContact ND2-OD1 3.33Å; N139-D163 PolarHBondContact OD1-N 2.96Å; N139-D163 VanDerWaalsContact OD1-N 3.09Å; N139-D163 PolarHBondContact OD1-OD1 3.02Å; R161-D163 VanDerWaalsContact C-OD1 3.3Å; R161-D163 VanDerWaalsContact CA-OD1 3.29Å; R161-D163 WeakPolarHBondContact CA-OD1 3.22Å; R161-D163 IonicContact CZ-OD1 3.66Å; R161-D163 IonicContact CZ-OD2 2.96Å; R161-D163 IonicContact NE-OD1 2.73Å; R161-D163 PolarHBondContact NE-OD1 3Å; R161-D163 IonicContact NE-OD2 2.74Å; R161-D163 PolarHBondContact NE-OD2 3.49Å; R161-D163 IonicContact NH2-OD1 3.45Å; R161-D163 IonicContact NH2-OD2 3.63Å; R161-D163 PolarHBondContact NH2-OD2 2.82Å; R161-D163 PolarHBondContact O-N 3.11Å
164	V	94.5	Very high	97.7	Very high	28 Å²	28	29.6 Å²	29.6	17%	0.17	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.5	-41.5	-178.3	-171.6	0	0	0	0	112.5	R161 S162 N223 I225 L226	R161-V164 HydrophobicContact CB-CB 4.49Å; R161-V164 VanDerWaalsContact NH2-CG2 3.28Å; R161-V164 PolarHBondContact O-N 2.93Å; S162-V164 VanDerWaalsContact C-N 3.3Å; V164-N223 PolarHBondContact O-ND2 3.06Å; V164-I225 HydrophobicContact CG1-CB 3.96Å; V164-I225 HydrophobicContact CG1-CD1 4.05Å; V164-I225 HydrophobicContact CG1-CG2 4.18Å; V164-L226 HydrophobicContact CB-CD1 4.25Å; V164-L226 HydrophobicContact CG1-CD1 4.36Å; V164-L226 HydrophobicContact CG1-CG 4.17Å; V164-L226 HydrophobicContact CG2-CD1 4.45Å
165	V	97.1	Very high	97.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.136	C	C	.	.			trans	-132.8	66.1	-175.8	-73.3	0	0	0	0	110.5	R161 M167 T168 A169 E222 N223 V263 F265	R161-V165 HydrophobicContact CB-CG2 4.5Å; R161-V165 WeakPolarHBondContact O-CG2 3.31Å; R161-V165 PolarHBondContact O-N 3.32Å; V165-M167 VanDerWaalsContact C-N 3.33Å; V165-M167 PolarHBondContact O-N 2.6Å; V165-T168 PolarHBondContact O-N 2.96Å; V165-A169 VanDerWaalsContact O-CB 3.26Å; V165-A169 WeakPolarHBondContact O-CB 3.44Å; V165-A169 PolarHBondContact O-N 3.16Å; V165-E222 VanDerWaalsContact C-CD 3.45Å; V165-E222 VanDerWaalsContact CA-CD 3.42Å; V165-E222 VanDerWaalsContact CA-OE2 3.23Å; V165-E222 WeakPolarHBondContact CA-OE2 3.44Å; V165-E222 HydrophobicContact CB-CG 4.41Å; V165-E222 VanDerWaalsContact CB-OE2 3.28Å; V165-E222 WeakPolarHBondContact CB-OE2 3.37Å; V165-E222 HydrophobicContact CG1-CB 4.21Å; V165-E222 HydrophobicContact CG1-CG 4.23Å; V165-N223 WeakPolarHBondContact CG1-ND2 3.37Å; V165-V263 HydrophobicContact CG1-CG1 3.93Å; V165-F265 HydrophobicContact CG2-CB 3.46Å; V165-F265 VanDerWaalsContact CG2-CB 3.46Å
166	P	97.1	Very high	97.7	Very high	49 Å²	49	23.9 Å²	23.9	32%	0.318	12%	0.12	S	C	.	.	H	α-helix	trans	-57.2	-37.7	-175.3	20.4	-32.9	0	0	0	114.6	S162 E170 E222	S162-P166 WeakPolarHBondContact O-CB 3.49Å; S162-P166 WeakPolarHBondContact O-CD 3.38Å; P166-E170 WeakPolarHBondContact O-CB 3.22Å; P166-E170 PolarHBondContact O-N 3.3Å; P166-E222 WeakPolarHBondContact CD-OE1 3.13Å; P166-E222 VanDerWaalsContact CG-OE1 3.25Å; P166-E222 WeakPolarHBondContact CG-OE1 3.22Å; P166-E222 VanDerWaalsContact N-OE1 3.07Å
167	M	97.6	Very high	97.7	Very high	93 Å²	93	25.8 Å²	25.8	46%	0.458	13%	0.132	S	C	.	.	H	α-helix	trans	-70	-44.4	179.4	-65.4	-173.1	60	0	0	111.3	V165 E170 N171 Y215 E222	V165-M167 VanDerWaalsContact C-N 3.33Å; V165-M167 PolarHBondContact O-N 2.6Å; M167-E170 PolarHBondContact O-N 2.88Å; M167-N171 WeakPolarHBondContact O-CB 3.38Å; M167-N171 PolarHBondContact O-N 2.72Å; M167-Y215 HydrophobicContact CB-CE2 4.32Å; M167-Y215 HydrophobicContact CE-CD2 4.47Å; M167-Y215 HydrophobicContact CE-CE2 4.26Å; M167-Y215 PolarHBondContact O-OH 3.14Å; M167-Y215 VanDerWaalsContact O-OH 3.06Å; M167-E222 PolarHBondContact N-OE1 3.42Å; M167-E222 PolarHBondContact N-OE2 3.45Å; M167-E222 VanDerWaalsContact N-OE2 3.15Å
168	T	98.3	Very high	97.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-65.2	-44.7	179.4	-49.6	0	0	0	0	111	V165 N171 F172 F219 E222 M236 V263 F265	V165-T168 PolarHBondContact O-N 2.96Å; T168-N171 PolarHBondContact O-N 2.97Å; T168-F172 PolarHBondContact O-N 2.75Å; T168-F172 VanDerWaalsContact O-N 3.13Å; T168-F219 HydrophobicContact CG2-CZ 4.27Å; T168-E222 WeakPolarHBondContact CB-OE2 3.26Å; T168-E222 PolarHBondContact N-OE2 2.97Å; T168-E222 PolarHBondContact OG1-OE2 3.46Å; T168-M236 HydrophobicContact CG2-CG 3.65Å; T168-M236 HydrophobicContact CG2-SD 4.01Å; T168-V263 HydrophobicContact CG2-CG1 4.21Å; T168-F265 HydrophobicContact CG2-CB 3.63Å; T168-F265 HydrophobicContact CG2-CD1 3.74Å; T168-F265 HydrophobicContact CG2-CD2 4.34Å; T168-F265 HydrophobicContact CG2-CE1 4.48Å; T168-F265 HydrophobicContact CG2-CG 3.65Å
169	A	98.3	Very high	97.5	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-62	-45.1	176.6	0	0	0	0	0	112	L160 V165 N171 F172 R173	L160-A169 HydrophobicContact CB-CB 3.98Å; L160-A169 WeakPolarHBondContact CD1-O 3.04Å; V165-A169 VanDerWaalsContact O-CB 3.26Å; V165-A169 WeakPolarHBondContact O-CB 3.44Å; V165-A169 PolarHBondContact O-N 3.16Å; A169-N171 PolarHBondContact O-N 2.88Å; A169-F172 PolarHBondContact O-N 2.89Å; A169-R173 WeakPolarHBondContact O-CB 3.46Å; A169-R173 PolarHBondContact O-N 2.78Å
170	E	98.1	Very high	97.3	Very high	67 Å²	67	35.8 Å²	35.8	31%	0.313	18%	0.176	S	C	.	.	H	α-helix	trans	-65.8	-39.4	-179.8	179.3	58.2	-162.9	0	0	112.4	P166 M167 R173 C174 I214	P166-E170 WeakPolarHBondContact O-CB 3.22Å; P166-E170 PolarHBondContact O-N 3.3Å; M167-E170 PolarHBondContact O-N 2.88Å; E170-R173 PolarHBondContact O-N 2.92Å; E170-R173 IonicContact OE1-CZ 3.3Å; E170-R173 IonicContact OE1-NE 3.69Å; E170-R173 PolarHBondContact OE1-NE 3.05Å; E170-R173 IonicContact OE1-NH2 2.78Å; E170-R173 PolarHBondContact OE1-NH2 3.14Å; E170-R173 IonicContact OE2-CZ 2.77Å; E170-R173 IonicContact OE2-NE 3.25Å; E170-R173 PolarHBondContact OE2-NE 3.22Å; E170-R173 IonicContact OE2-NH2 3.68Å; E170-C174 WeakPolarHBondContact O-CB 3.32Å; E170-C174 PolarHBondContact O-N 2.92Å; E170-C174 PolarHBondContact OE1-SG 2.85Å; E170-I214 HydrophobicContact CG-CD1 4.09Å
171	N	98.4	Very high	97.3	Very high	1 Å²	1	39 Å²	39	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-57.5	-51.1	172.4	175.2	62.6	0	0	0	111.3	M167 T168 A169 R173 C174 L175 S213 I214 Y215 F219 G245	M167-N171 WeakPolarHBondContact O-CB 3.38Å; M167-N171 PolarHBondContact O-N 2.72Å; T168-N171 PolarHBondContact O-N 2.97Å; A169-N171 PolarHBondContact O-N 2.88Å; N171-R173 PolarHBondContact O-N 3.3Å; N171-C174 PolarHBondContact O-N 2.88Å; N171-L175 WeakPolarHBondContact O-CB 3.48Å; N171-L175 WeakPolarHBondContact O-CG 3.37Å; N171-L175 PolarHBondContact O-N 2.83Å; N171-S213 WeakPolarHBondContact OD1-CA 3.48Å; N171-S213 VanDerWaalsContact OD1-CB 3.24Å; N171-S213 WeakPolarHBondContact OD1-CB 3.43Å; N171-I214 HydrophobicContact CB-CG1 4.23Å; N171-I214 PolarHBondContact OD1-N 2.81Å; N171-Y215 HydrophobicContact CB-CE2 3.92Å; N171-F219 HydrophobicContact CB-CE1 4.48Å; N171-F219 HydrophobicContact CB-CZ 4.5Å; N171-G245 PolarHBondContact ND2-O 2.94Å
172	F	98.7	Very high	97.2	Very high	1 Å²	1	37.9 Å²	37.9	0%	0.004	21%	0.207	C	C	.	.	H	α-helix	trans	-64.5	-40.2	-179.3	-167.3	-90.9	0	0	0	112.3	V142 M144 M158 L160 T168 A169 L175 C176 F184 L234 F248 F265	V142-F172 HydrophobicContact CG2-CD1 4.08Å; V142-F172 HydrophobicContact CG2-CE1 3.82Å; M144-F172 HydrophobicContact CE-CE1 4.04Å; M144-F172 HydrophobicContact CE-CE2 4.22Å; M144-F172 HydrophobicContact CE-CZ 3.46Å; M144-F172 VanDerWaalsContact CE-CZ 3.46Å; M158-F172 HydrophobicContact CE-CE1 4.44Å; M158-F172 HydrophobicContact SD-CE1 4.41Å; M158-F172 HydrophobicContact SD-CZ 4.35Å; L160-F172 HydrophobicContact CD1-CB 4.35Å; L160-F172 HydrophobicContact CD1-CD1 3.93Å; L160-F172 HydrophobicContact CD2-CD1 3.66Å; L160-F172 HydrophobicContact CD2-CE1 4.1Å; L160-F172 HydrophobicContact CD2-CG 4.42Å; L160-F172 HydrophobicContact CG-CD1 4.45Å; T168-F172 PolarHBondContact O-N 2.75Å; T168-F172 VanDerWaalsContact O-N 3.13Å; A169-F172 PolarHBondContact O-N 2.89Å; F172-L175 PolarHBondContact O-N 3.31Å; F172-C176 VanDerWaalsContact CE1-SG 3.51Å; F172-C176 PolarHBondContact O-N 3.25Å; F172-C176 PolarHBondContact O-SG 3.21Å; F172-F184 HydrophobicContact CD1-CE2 4.49Å; F172-F184 AromaticContact CD2-CE2 3.61Å; F172-F184 HydrophobicContact CD2-CE2 3.61Å; F172-F184 AromaticContact CD2-CZ 3.82Å; F172-F184 HydrophobicContact CD2-CZ 3.82Å; F172-F184 HydrophobicContact CE1-CE2 4.45Å; F172-F184 AromaticContact CE2-CE2 3.56Å; F172-F184 HydrophobicContact CE2-CE2 3.56Å; F172-F184 AromaticContact CE2-CZ 3.86Å; F172-F184 HydrophobicContact CE2-CZ 3.86Å; F172-F184 HydrophobicContact CG-CE2 4.11Å; F172-F184 HydrophobicContact CZ-CE2 4.03Å; F172-L234 HydrophobicContact CE1-CD1 4.17Å; F172-L234 HydrophobicContact CE2-CD2 4.27Å; F172-L234 HydrophobicContact CZ-CD1 4.24Å; F172-L234 HydrophobicContact CZ-CD2 3.98Å; F172-F248 HydrophobicContact CD2-CD1 4.44Å; F172-F248 HydrophobicContact CD2-CG 4.5Å; F172-F248 HydrophobicContact CE2-CB 4.14Å; F172-F248 AromaticContact CE2-CD1 3.6Å; F172-F248 HydrophobicContact CE2-CD1 3.6Å; F172-F248 AromaticContact CE2-CD2 3.93Å; F172-F248 HydrophobicContact CE2-CD2 3.93Å; F172-F248 AromaticContact CE2-CE1 3.89Å; F172-F248 HydrophobicContact CE2-CE1 3.89Å; F172-F248 HydrophobicContact CE2-CE2 4.2Å; F172-F248 AromaticContact CE2-CG 3.62Å; F172-F248 HydrophobicContact CE2-CG 3.62Å; F172-F248 HydrophobicContact CE2-CZ 4.19Å; F172-F248 HydrophobicContact CZ-CD1 4.46Å; F172-F248 HydrophobicContact CZ-CD2 4.36Å; F172-F248 HydrophobicContact CZ-CE1 4.37Å; F172-F248 HydrophobicContact CZ-CE2 4.27Å; F172-F248 HydrophobicContact CZ-CG 4.46Å; F172-F248 HydrophobicContact CZ-CZ 4.28Å; F172-F265 HydrophobicContact CB-CD2 4.38Å; F172-F265 HydrophobicContact CB-CE2 3.68Å; F172-F265 HydrophobicContact CB-CZ 4.31Å; F172-F265 HydrophobicContact CD1-CE2 4.03Å; F172-F265 AromaticContact CD2-CE2 3.52Å; F172-F265 HydrophobicContact CD2-CE2 3.52Å; F172-F265 AromaticContact CD2-CZ 3.44Å; F172-F265 HydrophobicContact CD2-CZ 3.44Å; F172-F265 VanDerWaalsContact CD2-CZ 3.44Å; F172-F265 HydrophobicContact CE2-CE2 4.08Å; F172-F265 AromaticContact CE2-CZ 3.82Å; F172-F265 HydrophobicContact CE2-CZ 3.82Å; F172-F265 AromaticContact CG-CE2 3.47Å; F172-F265 HydrophobicContact CG-CE2 3.47Å; F172-F265 VanDerWaalsContact CG-CE2 3.47Å; F172-F265 AromaticContact CG-CZ 3.92Å; F172-F265 HydrophobicContact CG-CZ 3.92Å
173	R	98.4	Very high	97.3	Very high	25 Å²	25	37.3 Å²	37.3	9%	0.094	20%	0.203	C	C	.	.	H	α-helix	trans	-58.3	-53.6	175.9	-169.7	-160	69	69.3	4.2	111.3	P140 V142 L160 A169 E170 N171 L175 C176 T177 E179 E299	P140-R173 HydrophobicContact CB-CG 4.26Å; V142-R173 HydrophobicContact CG1-CG 4.2Å; L160-R173 HydrophobicContact CD1-CB 3.91Å; A169-R173 WeakPolarHBondContact O-CB 3.46Å; A169-R173 PolarHBondContact O-N 2.78Å; E170-R173 PolarHBondContact O-N 2.92Å; E170-R173 IonicContact OE1-CZ 3.3Å; E170-R173 IonicContact OE1-NE 3.69Å; E170-R173 PolarHBondContact OE1-NE 3.05Å; E170-R173 IonicContact OE1-NH2 2.78Å; E170-R173 PolarHBondContact OE1-NH2 3.14Å; E170-R173 IonicContact OE2-CZ 2.77Å; E170-R173 IonicContact OE2-NE 3.25Å; E170-R173 PolarHBondContact OE2-NE 3.22Å; E170-R173 IonicContact OE2-NH2 3.68Å; N171-R173 PolarHBondContact O-N 3.3Å; R173-L175 VanDerWaalsContact C-N 3.27Å; R173-L175 PolarHBondContact O-N 2.71Å; R173-C176 WeakPolarHBondContact O-CA 3.38Å; R173-C176 WeakPolarHBondContact O-CB 3.42Å; R173-C176 PolarHBondContact O-N 2.91Å; R173-T177 PolarHBondContact O-N 3.48Å; R173-T177 PolarHBondContact O-OG1 2.68Å; R173-E179 IonicContact CZ-OE1 2.72Å; R173-E179 IonicContact CZ-OE2 3.71Å; R173-E179 VanDerWaalsContact CZ-OE2 3.26Å; R173-E179 IonicContact NH1-OE2 3.4Å; R173-E179 PolarHBondContact NH1-OE2 3.16Å; R173-E179 IonicContact NH2-OE1 3.1Å; R173-E179 PolarHBondContact NH2-OE1 3.43Å; R173-E179 IonicContact NH2-OE2 2.72Å; R173-E179 PolarHBondContact NH2-OE2 3.38Å; R173-E299 WeakPolarHBondContact CD-OE1 3.41Å; R173-E299 VanDerWaalsContact CD-OE2 3.27Å; R173-E299 WeakPolarHBondContact CD-OE2 3.41Å; R173-E299 WeakPolarHBondContact CG-OE2 3.28Å; R173-E299 IonicContact CZ-OE2 2.84Å; R173-E299 IonicContact NE-OE2 2.59Å; R173-E299 IonicContact NH1-OE2 3.47Å; R173-E299 PolarHBondContact NH1-OE2 3.36Å
174	C	98.2	Very high	97.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-58.2	-38.3	177.6	-79.9	0	0	0	0	112.9	E170 N171 C176 T177 H178 E179 K180 I214	E170-C174 WeakPolarHBondContact O-CB 3.32Å; E170-C174 PolarHBondContact O-N 2.92Å; E170-C174 PolarHBondContact OE1-SG 2.85Å; N171-C174 PolarHBondContact O-N 2.88Å; C174-C176 VanDerWaalsContact C-N 3.29Å; C174-T177 WeakPolarHBondContact CA-OG1 3.49Å; C174-T177 PolarHBondContact O-N 3.18Å; C174-T177 PolarHBondContact O-OG1 2.93Å; C174-H178 PolarHBondContact O-N 3.02Å; C174-E179 HydrophobicContact CB-CG 4.3Å; C174-E179 PolarHBondContact SG-OE1 3.13Å; C174-K180 HydrophobicContact CB-CG 4.22Å; C174-I214 HydrophobicContact CB-CD1 4.16Å; C174-I214 HydrophobicContact CB-CG2 3.55Å
175	L	98.5	Very high	97.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-70.2	-26.6	177.3	-69.2	171.8	0	0	0	112.3	N171 F172 R173 F182 G183 F184 F203	N171-L175 WeakPolarHBondContact O-CB 3.48Å; N171-L175 WeakPolarHBondContact O-CG 3.37Å; N171-L175 PolarHBondContact O-N 2.83Å; F172-L175 PolarHBondContact O-N 3.31Å; R173-L175 VanDerWaalsContact C-N 3.27Å; R173-L175 PolarHBondContact O-N 2.71Å; L175-F182 HydrophobicContact CD2-CD2 3.75Å; L175-F182 HydrophobicContact CD2-CE2 3.72Å; L175-G183 CarbonylContact O-C 3.6Å; L175-G183 WeakPolarHBondContact O-CA 3.46Å; L175-F184 HydrophobicContact CB-CD1 4.44Å; L175-F184 HydrophobicContact CB-CD2 3.68Å; L175-F184 HydrophobicContact CB-CE1 4.13Å; L175-F184 HydrophobicContact CB-CE2 3.33Å; L175-F184 HydrophobicContact CB-CG 4.24Å; L175-F184 HydrophobicContact CB-CZ 3.58Å; L175-F184 HydrophobicContact CD1-CE1 3.96Å; L175-F184 HydrophobicContact CD1-CE2 4.12Å; L175-F184 HydrophobicContact CD1-CZ 3.51Å; L175-F184 HydrophobicContact CG-CE2 4.38Å; L175-F184 HydrophobicContact CG-CZ 4.18Å; L175-F184 PolarHBondContact O-N 3.23Å; L175-F203 HydrophobicContact CD2-CE1 3.65Å; L175-F203 HydrophobicContact CD2-CZ 4.01Å
176	C	98.3	Very high	97.7	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-73.7	-45.9	170.2	-65.4	0	0	0	0	111.6	V142 F172 R173 C174 H178 C297	V142-C176 HydrophobicContact CB-CB 4.25Å; V142-C176 HydrophobicContact CG1-CB 4.26Å; F172-C176 VanDerWaalsContact CE1-SG 3.51Å; F172-C176 PolarHBondContact O-N 3.25Å; F172-C176 PolarHBondContact O-SG 3.21Å; R173-C176 WeakPolarHBondContact O-CA 3.38Å; R173-C176 WeakPolarHBondContact O-CB 3.42Å; R173-C176 PolarHBondContact O-N 2.91Å; C174-C176 VanDerWaalsContact C-N 3.29Å; C176-H178 VanDerWaalsContact C-N 3.33Å; C176-H178 PolarHBondContact O-N 2.72Å; C176-C297 HydrophobicContact CB-CB 4.47Å; C176-C297 CarbonylContact O-C 3.59Å; C176-C297 VanDerWaalsContact O-O 3.11Å; C176-C297 PolarHBondContact O-SG 3.19Å
177	T	98	Very high	97.8	Very high	42 Å²	42	36.8 Å²	36.8	26%	0.258	20%	0.202	S	C	.	.	H	α-helix	trans	-76.8	-16.5	-176	61.8	0	0	0	0	114.2	R173 C174 E179 E299	R173-T177 PolarHBondContact O-N 3.48Å; R173-T177 PolarHBondContact O-OG1 2.68Å; C174-T177 WeakPolarHBondContact CA-OG1 3.49Å; C174-T177 PolarHBondContact O-N 3.18Å; C174-T177 PolarHBondContact O-OG1 2.93Å; T177-E179 PolarHBondContact O-N 3.1Å; T177-E179 WeakPolarHBondContact OG1-CG 3.36Å; T177-E179 PolarHBondContact OG1-N 3.18Å; T177-E179 PolarHBondContact OG1-OE2 2.83Å; T177-E299 HydrophobicContact CG2-CB 3.62Å
178	H	97.1	Very high	97.8	Very high	68 Å²	68	33 Å²	33	32%	0.315	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	13.4	-174.6	-110.5	100.8	0	0	0	114.4	C174 C176 K180 G181 F182 G183	C174-H178 PolarHBondContact O-N 3.02Å; C176-H178 VanDerWaalsContact C-N 3.33Å; C176-H178 PolarHBondContact O-N 2.72Å; H178-K180 PolarHBondContact O-N 3.24Å; H178-K180 VanDerWaalsContact O-N 3.09Å; H178-G181 PolarHBondContact O-N 3.27Å; H178-F182 WeakPolarHBondContact CD2-CA 3.38Å; H178-F182 PolarHBondContact CD2-N 2.78Å; H178-F182 VanDerWaalsContact NE2-C 3.28Å; H178-F182 WeakPolarHBondContact NE2-CA 3.41Å; H178-G183 PolarHBondContact CD2-N 3.3Å; H178-G183 VanDerWaalsContact CE1-C 3.4Å; H178-G183 VanDerWaalsContact CE1-CA 3.4Å; H178-G183 WeakPolarHBondContact CE1-CA 3.41Å; H178-G183 PolarHBondContact CE1-N 3.25Å; H178-G183 VanDerWaalsContact CE1-N 3.31Å; H178-G183 PolarHBondContact NE2-N 2.92Å
179	E	96.4	Very high	97.8	Very high	96 Å²	96	33.1 Å²	33.1	45%	0.449	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-19.4	-172.8	68.7	-172	-117.7	0	0	114.2	R173 C174 T177 G181	R173-E179 IonicContact CZ-OE1 2.72Å; R173-E179 IonicContact CZ-OE2 3.71Å; R173-E179 VanDerWaalsContact CZ-OE2 3.26Å; R173-E179 IonicContact NH1-OE2 3.4Å; R173-E179 PolarHBondContact NH1-OE2 3.16Å; R173-E179 IonicContact NH2-OE1 3.1Å; R173-E179 PolarHBondContact NH2-OE1 3.43Å; R173-E179 IonicContact NH2-OE2 2.72Å; R173-E179 PolarHBondContact NH2-OE2 3.38Å; C174-E179 HydrophobicContact CB-CG 4.3Å; C174-E179 PolarHBondContact SG-OE1 3.13Å; T177-E179 PolarHBondContact O-N 3.1Å; T177-E179 WeakPolarHBondContact OG1-CG 3.36Å; T177-E179 PolarHBondContact OG1-N 3.18Å; T177-E179 PolarHBondContact OG1-OE2 2.83Å; E179-G181 VanDerWaalsContact C-N 3.33Å
180	K	95	Very high	97.8	Very high	113 Å²	113	34.7 Å²	34.7	49%	0.491	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	9.2	174.2	-55.9	-58	-177.7	-174.2	0	113.4	C174 H178 F182 I214	C174-K180 HydrophobicContact CB-CG 4.22Å; H178-K180 PolarHBondContact O-N 3.24Å; H178-K180 VanDerWaalsContact O-N 3.09Å; K180-F182 HydrophobicContact CB-CD1 4.45Å; K180-F182 HydrophobicContact CB-CE1 3.97Å; K180-F182 HydrophobicContact CB-CZ 4.24Å; K180-F182 VanDerWaalsContact O-CD1 3.27Å; K180-F182 WeakPolarHBondContact O-CD1 3.38Å; K180-F182 WeakPolarHBondContact O-CE1 3.29Å; K180-I214 HydrophobicContact CB-CG2 4.5Å; K180-I214 HydrophobicContact CG-CB 4.4Å; K180-I214 HydrophobicContact CG-CG2 3.91Å
181	G	96.7	Very high	97.8	Very high	69 Å²	69	35.9 Å²	35.9	71%	0.711	20%	0.195	S	C	*	.	S	Bend	trans	83.2	5.8	178.5	0	0	0	0	0	115.1	H178 E179	H178-G181 PolarHBondContact O-N 3.27Å; E179-G181 VanDerWaalsContact C-N 3.33Å
182	F	97.6	Very high	97.8	Very high	42 Å²	42	35.8 Å²	35.8	18%	0.184	19%	0.194	C	C	.	.			trans	-153	160.2	174.7	58.6	-90.5	0	0	0	110	L175 H178 K180 F203 K212 I214	L175-F182 HydrophobicContact CD2-CD2 3.75Å; L175-F182 HydrophobicContact CD2-CE2 3.72Å; H178-F182 WeakPolarHBondContact CD2-CA 3.38Å; H178-F182 PolarHBondContact CD2-N 2.78Å; H178-F182 VanDerWaalsContact NE2-C 3.28Å; H178-F182 WeakPolarHBondContact NE2-CA 3.41Å; K180-F182 HydrophobicContact CB-CD1 4.45Å; K180-F182 HydrophobicContact CB-CE1 3.97Å; K180-F182 HydrophobicContact CB-CZ 4.24Å; K180-F182 VanDerWaalsContact O-CD1 3.27Å; K180-F182 WeakPolarHBondContact O-CD1 3.38Å; K180-F182 WeakPolarHBondContact O-CE1 3.29Å; F182-F203 HydrophobicContact CB-CE2 4.23Å; F182-F203 HydrophobicContact CD2-CE1 4.4Å; F182-F203 AromaticContact CD2-CE2 3.84Å; F182-F203 HydrophobicContact CD2-CE2 3.84Å; F182-F203 AromaticContact CD2-CZ 3.52Å; F182-F203 HydrophobicContact CD2-CZ 3.52Å; F182-F203 HydrophobicContact CE2-CZ 4.09Å; F182-F203 HydrophobicContact CG-CE2 4.38Å; F182-F203 HydrophobicContact CG-CZ 4.47Å; F182-K212 HydrophobicContact CD2-CG 4.41Å; F182-K212 HydrophobicContact CE2-CD 4.36Å; F182-K212 HydrophobicContact CE2-CG 4.07Å; F182-K212 HydrophobicContact CZ-CD 4.45Å; F182-I214 HydrophobicContact CZ-CG2 4.49Å
183	G	97.8	Very high	97.8	Very high	3 Å²	3	37 Å²	37	3%	0.031	20%	0.2	C	C	.	.			trans	169.4	-167.3	-173.7	0	0	0	0	0	114.5	L175 H178 F203	L175-G183 CarbonylContact O-C 3.6Å; L175-G183 WeakPolarHBondContact O-CA 3.46Å; H178-G183 PolarHBondContact CD2-N 3.3Å; H178-G183 VanDerWaalsContact CE1-C 3.4Å; H178-G183 VanDerWaalsContact CE1-CA 3.4Å; H178-G183 WeakPolarHBondContact CE1-CA 3.41Å; H178-G183 PolarHBondContact CE1-N 3.25Å; H178-G183 VanDerWaalsContact CE1-N 3.31Å; H178-G183 PolarHBondContact NE2-N 2.92Å; G183-F203 WeakPolarHBondContact O-CB 3.37Å; G183-F203 WeakPolarHBondContact O-CG 3.46Å
184	F	98.7	Very high	97.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.207	C	C	.	.	S	Bend	trans	-79	-20.3	-169.9	-63.4	-48.3	0	0	0	115.2	M144 F172 L175 G186 S187 F203 S246 F248 I294	M144-F184 HydrophobicContact CE-CB 4.32Å; M144-F184 HydrophobicContact CE-CD2 3.56Å; M144-F184 HydrophobicContact CE-CE2 4.08Å; M144-F184 HydrophobicContact CE-CG 4.1Å; F172-F184 HydrophobicContact CD1-CE2 4.49Å; F172-F184 AromaticContact CD2-CE2 3.61Å; F172-F184 HydrophobicContact CD2-CE2 3.61Å; F172-F184 AromaticContact CD2-CZ 3.82Å; F172-F184 HydrophobicContact CD2-CZ 3.82Å; F172-F184 HydrophobicContact CE1-CE2 4.45Å; F172-F184 AromaticContact CE2-CE2 3.56Å; F172-F184 HydrophobicContact CE2-CE2 3.56Å; F172-F184 AromaticContact CE2-CZ 3.86Å; F172-F184 HydrophobicContact CE2-CZ 3.86Å; F172-F184 HydrophobicContact CG-CE2 4.11Å; F172-F184 HydrophobicContact CZ-CE2 4.03Å; L175-F184 HydrophobicContact CB-CD1 4.44Å; L175-F184 HydrophobicContact CB-CD2 3.68Å; L175-F184 HydrophobicContact CB-CE1 4.13Å; L175-F184 HydrophobicContact CB-CE2 3.33Å; L175-F184 HydrophobicContact CB-CG 4.24Å; L175-F184 HydrophobicContact CB-CZ 3.58Å; L175-F184 HydrophobicContact CD1-CE1 3.96Å; L175-F184 HydrophobicContact CD1-CE2 4.12Å; L175-F184 HydrophobicContact CD1-CZ 3.51Å; L175-F184 HydrophobicContact CG-CE2 4.38Å; L175-F184 HydrophobicContact CG-CZ 4.18Å; L175-F184 PolarHBondContact O-N 3.23Å; F184-G186 PolarHBondContact O-N 3.05Å; F184-S187 VanDerWaalsContact O-CB 3.26Å; F184-S187 WeakPolarHBondContact O-CB 3.49Å; F184-S187 PolarHBondContact O-N 3.02Å; F184-S187 PolarHBondContact O-OG 3.09Å; F184-F203 HydrophobicContact CD1-CD1 4.26Å; F184-F203 HydrophobicContact CE1-CD1 4.47Å; F184-S246 WeakPolarHBondContact CE1-O 3.49Å; F184-S246 WeakPolarHBondContact CZ-O 3.41Å; F184-F248 HydrophobicContact CD1-CE1 4.21Å; F184-F248 HydrophobicContact CE1-CD1 4.03Å; F184-F248 AromaticContact CE1-CE1 3.93Å; F184-F248 HydrophobicContact CE1-CE1 3.93Å; F184-F248 HydrophobicContact CE2-CE1 4.31Å; F184-F248 AromaticContact CZ-CD1 3.9Å; F184-F248 HydrophobicContact CZ-CD1 3.9Å; F184-F248 AromaticContact CZ-CE1 3.97Å; F184-F248 HydrophobicContact CZ-CE1 3.97Å; F184-I294 HydrophobicContact CB-CD1 3.98Å; F184-I294 HydrophobicContact CB-CG2 4.45Å
185	K	98.3	Very high	97.7	Very high	105 Å²	105	43.5 Å²	43.5	46%	0.457	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	124	-179.3	-173.5	171.5	-173.2	150.7	0	111.1	S187 D296 C297	K185-S187 VanDerWaalsContact C-N 3.31Å; K185-S187 PolarHBondContact O-N 3.09Å; K185-D296 WeakPolarHBondContact CD-OD1 3.35Å; K185-D296 WeakPolarHBondContact CE-OD1 3.36Å; K185-D296 IonicContact NZ-OD1 2.85Å; K185-D296 PolarHBondContact NZ-OD1 3.22Å; K185-D296 IonicContact NZ-OD2 2.76Å; K185-D296 PolarHBondContact NZ-OD2 2.92Å; K185-D296 VanDerWaalsContact NZ-OD2 3.1Å; K185-C297 PolarHBondContact N-SG 3.32Å; K185-C297 VanDerWaalsContact N-SG 3.43Å
186	G	97.1	Very high	97.6	Very high	46 Å²	46	45.6 Å²	45.6	47%	0.474	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.1	-11.6	-177.8	0	0	0	0	0	115.3	F184 I294	F184-G186 PolarHBondContact O-N 3.05Å; G186-I294 WeakPolarHBondContact CA-O 3.39Å; G186-I294 PolarHBondContact N-O 3.5Å
187	S	98.2	Very high	97.6	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.007	25%	0.245	C	C	.	.			trans	-75.9	169	175.7	77.4	0	0	0	0	112.3	F184 K185 I293 I294	F184-S187 VanDerWaalsContact O-CB 3.26Å; F184-S187 WeakPolarHBondContact O-CB 3.49Å; F184-S187 PolarHBondContact O-N 3.02Å; F184-S187 PolarHBondContact O-OG 3.09Å; K185-S187 VanDerWaalsContact C-N 3.31Å; K185-S187 PolarHBondContact O-N 3.09Å; S187-I293 WeakPolarHBondContact O-CA 3.33Å; S187-I294 PolarHBondContact O-N 3.26Å
188	S	97.9	Very high	97.7	Very high	15 Å²	15	43.7 Å²	43.7	11%	0.105	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	152.3	-172.6	62.4	0	0	0	0	113.7	H190 V292	S188-H190 PolarHBondContact O-N 3.42Å; S188-V292 WeakPolarHBondContact CA-O 3.37Å; S188-V292 VanDerWaalsContact CB-O 3.27Å; S188-V292 WeakPolarHBondContact CB-O 3.36Å
189	F	98.5	Very high	97.7	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.009	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	99.9	156.6	-70.8	-94.5	0	0	0	108.1	I146 I192 C198 Q199 F248 L250 I278 P288 V292 I294	I146-F189 HydrophobicContact CD1-CE2 3.82Å; F189-I192 HydrophobicContact CB-CD1 3.99Å; F189-I192 HydrophobicContact CB-CG1 4.1Å; F189-C198 HydrophobicContact CD1-CB 3.9Å; F189-C198 HydrophobicContact CE1-CB 4.17Å; F189-Q199 CarbonylContact C-O 3.57Å; F189-Q199 WeakPolarHBondContact CA-O 3.48Å; F189-F248 HydrophobicContact CE1-CE2 4.04Å; F189-F248 HydrophobicContact CE1-CZ 4.23Å; F189-F248 HydrophobicContact CZ-CE2 4.12Å; F189-F248 HydrophobicContact CZ-CZ 4.04Å; F189-L250 HydrophobicContact CE1-CD1 4.36Å; F189-L250 HydrophobicContact CZ-CD1 4.32Å; F189-I278 HydrophobicContact CB-CG2 4.49Å; F189-I278 HydrophobicContact CD2-CD1 4.42Å; F189-I278 HydrophobicContact CE2-CD1 4.13Å; F189-I278 HydrophobicContact CG-CG2 4.33Å; F189-I278 HydrophobicContact CZ-CD1 4.34Å; F189-P288 WeakPolarHBondContact O-CG 3.49Å; F189-V292 HydrophobicContact CB-CB 4.13Å; F189-V292 HydrophobicContact CB-CG1 4.18Å; F189-V292 HydrophobicContact CD2-CG1 3.82Å; F189-V292 HydrophobicContact CG-CG1 4.33Å; F189-V292 PolarHBondContact N-O 3.11Å; F189-I294 HydrophobicContact CD2-CG1 4.38Å; F189-I294 HydrophobicContact CE2-CD1 4.15Å; F189-I294 HydrophobicContact CE2-CG1 3.84Å
190	H	98	Very high	97.8	Very high	32 Å²	32	37.3 Å²	37.3	15%	0.148	20%	0.203	C	C	.	.			trans	-91.7	-16.7	-170.6	59.3	-91.9	0	0	0	112.8	S188 Q199 G208 Q247 P288	S188-H190 PolarHBondContact O-N 3.42Å; H190-Q199 PolarHBondContact N-O 2.89Å; H190-G208 VanDerWaalsContact NE2-CA 3.27Å; H190-G208 WeakPolarHBondContact NE2-CA 3.48Å; H190-Q247 PolarHBondContact CE1-OE1 3.01Å; H190-Q247 PolarHBondContact NE2-OE1 3.04Å; H190-P288 WeakPolarHBondContact O-CD 3.29Å
191	R	98.3	Very high	97.9	Very high	92 Å²	92	31.9 Å²	31.9	35%	0.347	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	115.8	176.6	-175	179.2	177.3	-106.3	2.5	110.8	I193 M197 Q199 G286	R191-I193 VanDerWaalsContact CZ-CD1 3.48Å; R191-M197 HydrophobicContact CG-CE 4.22Å; R191-Q199 HydrophobicContact CB-CB 4.21Å; R191-Q199 PolarHBondContact N-O 2.9Å; R191-Q199 WeakPolarHBondContact O-CB 3.24Å; R191-Q199 PolarHBondContact O-N 3.31Å; R191-G286 CarbonylContact C-O 3.46Å; R191-G286 VanDerWaalsContact CA-O 3.23Å; R191-G286 WeakPolarHBondContact CA-O 3.27Å
192	I	98.6	Very high	98	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	115.1	-176	-55.7	169.8	0	0	0	108.7	F189 I278 Q281 G282 S283 G286 P288 V292	F189-I192 HydrophobicContact CB-CD1 3.99Å; F189-I192 HydrophobicContact CB-CG1 4.1Å; I192-I278 HydrophobicContact CD1-CG2 3.71Å; I192-I278 HydrophobicContact CG1-CG2 4.31Å; I192-Q281 HydrophobicContact CD1-CB 4.38Å; I192-G282 VanDerWaalsContact CG2-CA 3.48Å; I192-G282 WeakPolarHBondContact O-CA 3.49Å; I192-S283 PolarHBondContact O-N 2.98Å; I192-S283 VanDerWaalsContact O-N 3.13Å; I192-G286 PolarHBondContact N-O 2.82Å; I192-G286 WeakPolarHBondContact O-CA 3.45Å; I192-P288 HydrophobicContact CD1-CB 4.04Å; I192-P288 HydrophobicContact CD1-CG 3.92Å; I192-P288 HydrophobicContact CG1-CG 4.15Å; I192-V292 HydrophobicContact CD1-CB 4.32Å; I192-V292 HydrophobicContact CD1-CG2 3.82Å
193	I	98.3	Very high	97.9	Very high	25 Å²	25	28 Å²	28	13%	0.128	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	113.8	177.9	-61.6	176.9	0	0	0	108	R191 F196 M197	R191-I193 VanDerWaalsContact CZ-CD1 3.48Å; I193-F196 HydrophobicContact CB-CB 4.05Å; I193-F196 HydrophobicContact CB-CD1 4.02Å; I193-F196 HydrophobicContact CD1-CD1 4.02Å; I193-F196 HydrophobicContact CD1-CE1 4.49Å; I193-F196 HydrophobicContact CG2-CB 3.8Å; I193-F196 HydrophobicContact CG2-CD1 4.1Å; I193-F196 HydrophobicContact CG2-CG 4.47Å; I193-F196 PolarHBondContact O-N 3.15Å; I193-F196 VanDerWaalsContact O-N 3.15Å; I193-M197 HydrophobicContact CB-CE 4.01Å; I193-M197 HydrophobicContact CD1-CE 3.96Å; I193-M197 HydrophobicContact CG1-CE 3.91Å; I193-M197 PolarHBondContact N-O 3.33Å; I193-M197 PolarHBondContact O-N 3.3Å; I193-M197 VanDerWaalsContact O-N 3.1Å
194	P	98.1	Very high	97.8	Very high	35 Å²	35	30.9 Å²	30.9	23%	0.227	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	143.8	177.6	-23.1	34.4	0	0	0	111.4	F196 E279 S283	P194-F196 PolarHBondContact O-N 2.82Å; P194-E279 HydrophobicContact CB-CG 4.3Å; P194-S283 WeakPolarHBondContact CD-O 3.29Å
195	Q	96.1	Very high	97.5	Very high	128 Å²	128	35 Å²	35	60%	0.598	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.2	19.6	-177.5	-61.2	70.5	73.5	0	0	113.2	E279	Q195-E279 PolarHBondContact N-OE1 3.35Å; Q195-E279 PolarHBondContact NE2-OE1 2.89Å
196	F	97.6	Very high	97.3	Very high	43 Å²	43	34.7 Å²	34.7	19%	0.189	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-134.6	-80.6	175.4	-178.6	-149.1	0	0	0	110.4	I193 P194 C252 T255 W257 L258	I193-F196 HydrophobicContact CB-CB 4.05Å; I193-F196 HydrophobicContact CB-CD1 4.02Å; I193-F196 HydrophobicContact CD1-CD1 4.02Å; I193-F196 HydrophobicContact CD1-CE1 4.49Å; I193-F196 HydrophobicContact CG2-CB 3.8Å; I193-F196 HydrophobicContact CG2-CD1 4.1Å; I193-F196 HydrophobicContact CG2-CG 4.47Å; I193-F196 PolarHBondContact O-N 3.15Å; I193-F196 VanDerWaalsContact O-N 3.15Å; P194-F196 PolarHBondContact O-N 2.82Å; F196-C252 PolarHBondContact O-N 2.86Å; F196-T255 HydrophobicContact CD2-CG2 3.59Å; F196-T255 HydrophobicContact CE2-CG2 3.83Å; F196-W257 HydrophobicContact CD2-CH2 4.44Å; F196-W257 AromaticContact CD2-CZ2 3.63Å; F196-W257 HydrophobicContact CD2-CZ2 3.63Å; F196-W257 AromaticContact CE2-CE2 3.97Å; F196-W257 AromaticContact CE2-CZ2 3.53Å; F196-W257 HydrophobicContact CE2-CZ2 3.53Å; F196-W257 AromaticContact CE2-NE1 3.83Å; F196-L258 HydrophobicContact CE2-CD1 3.93Å; F196-L258 HydrophobicContact CZ-CD1 4.2Å
197	M	98	Very high	96.9	Very high	3 Å²	3	37.1 Å²	37.1	2%	0.015	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164	164.6	-176.6	59.3	77.3	-123.5	0	0	113.9	R191 I193 Q199 F249 L250	R191-M197 HydrophobicContact CG-CE 4.22Å; I193-M197 HydrophobicContact CB-CE 4.01Å; I193-M197 HydrophobicContact CD1-CE 3.96Å; I193-M197 HydrophobicContact CG1-CE 3.91Å; I193-M197 PolarHBondContact N-O 3.33Å; I193-M197 PolarHBondContact O-N 3.3Å; I193-M197 VanDerWaalsContact O-N 3.1Å; M197-Q199 HydrophobicContact SD-CB 3.68Å; M197-F249 HydrophobicContact CB-CB 4.16Å; M197-F249 HydrophobicContact CB-CD2 3.74Å; M197-F249 HydrophobicContact CB-CG 4.28Å; M197-F249 HydrophobicContact CG-CB 4.25Å; M197-F249 HydrophobicContact CG-CD2 4.06Å; M197-F249 HydrophobicContact CG-CG 4.3Å; M197-F249 HydrophobicContact SD-CB 3.89Å; M197-F249 HydrophobicContact SD-CG 4.42Å; M197-L250 CarbonylContact C-O 3.57Å; M197-L250 VanDerWaalsContact CA-O 3.25Å; M197-L250 WeakPolarHBondContact CA-O 3.12Å; M197-L250 WeakPolarHBondContact CB-O 3.48Å
198	C	98.6	Very high	96.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	108.2	173.1	-60.7	0	0	0	0	109.4	F189 F249 L250 L275 I278	F189-C198 HydrophobicContact CD1-CB 3.9Å; F189-C198 HydrophobicContact CE1-CB 4.17Å; C198-F249 CarbonylContact O-C 3.35Å; C198-F249 WeakPolarHBondContact O-CA 3.17Å; C198-L250 PolarHBondContact N-O 2.92Å; C198-L250 PolarHBondContact O-N 2.98Å; C198-L275 HydrophobicContact CB-CD1 4.11Å; C198-I278 HydrophobicContact CB-CG2 4Å
199	Q	98.6	Very high	96.3	Very high	29 Å²	29	42.4 Å²	42.4	14%	0.136	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	134.9	-177.5	179.9	-179.7	-15.1	0	0	112.3	F189 H190 R191 M197 A237 F248 F249	F189-Q199 CarbonylContact C-O 3.57Å; F189-Q199 WeakPolarHBondContact CA-O 3.48Å; H190-Q199 PolarHBondContact N-O 2.89Å; R191-Q199 HydrophobicContact CB-CB 4.21Å; R191-Q199 PolarHBondContact N-O 2.9Å; R191-Q199 WeakPolarHBondContact O-CB 3.24Å; R191-Q199 PolarHBondContact O-N 3.31Å; M197-Q199 HydrophobicContact SD-CB 3.68Å; Q199-A237 HydrophobicContact CG-CB 4.32Å; Q199-F248 CarbonylContact C-O 3.53Å; Q199-F248 VanDerWaalsContact CA-O 3.32Å; Q199-F248 WeakPolarHBondContact CA-O 3.21Å; Q199-F249 HydrophobicContact CB-CB 4.05Å
200	G	98.4	Very high	96.1	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	-163	-179.3	0	0	0	0	0	112.4	Q247 F248	G200-Q247 VanDerWaalsContact O-CA 3.28Å; G200-Q247 WeakPolarHBondContact O-CA 3.46Å; G200-F248 PolarHBondContact N-O 2.98Å; G200-F248 PolarHBondContact O-N 2.9Å; G200-F248 VanDerWaalsContact O-N 3.12Å
201	G	97.3	Very high	96	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.231	C	C	.	.			trans	88.4	2.5	172.2	0	0	0	0	0	116.5	F203 S246	G201-F203 PolarHBondContact O-N 2.94Å; G201-S246 WeakPolarHBondContact O-CB 3.39Å; G201-S246 PolarHBondContact O-OG 3.29Å
202	D	97.6	Very high	95.9	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.231	C	C	.	.			trans	-84.3	89.6	166.2	-176.7	2	0	0	0	110	T204 N205 H206 N207 G208 T209 G210 Q247	D202-T204 PolarHBondContact OD1-N 3.13Å; D202-T204 VanDerWaalsContact OD1-N 3.13Å; D202-T204 PolarHBondContact OD1-OG1 3.5Å; D202-N205 PolarHBondContact OD1-N 3.47Å; D202-H206 WeakPolarHBondContact O-CA 3.27Å; D202-H206 PolarHBondContact O-ND1 3.31Å; D202-H206 PolarHBondContact OD1-N 3.03Å; D202-H206 PolarHBondContact OD2-N 3.06Å; D202-H206 VanDerWaalsContact OD2-N 3.11Å; D202-N207 PolarHBondContact OD2-N 3.02Å; D202-N207 PolarHBondContact OD2-OD1 3.43Å; D202-G208 PolarHBondContact OD2-N 3.42Å; D202-T209 PolarHBondContact OD2-N 2.89Å; D202-G210 VanDerWaalsContact OD1-CA 3.3Å; D202-G210 WeakPolarHBondContact OD1-CA 3.36Å; D202-G210 PolarHBondContact OD2-N 3.29Å; D202-G210 VanDerWaalsContact OD2-N 3.15Å; D202-Q247 HydrophobicContact CB-CG 4.11Å
203	F	96.3	Very high	95.9	Very high	29 Å²	29	42.1 Å²	42.1	13%	0.127	23%	0.232	C	C	.	.			trans	-90.6	0.7	176.8	60.5	-102.9	0	0	0	113.6	L175 F182 G183 F184 G201 H206 K212 S246	L175-F203 HydrophobicContact CD2-CE1 3.65Å; L175-F203 HydrophobicContact CD2-CZ 4.01Å; F182-F203 HydrophobicContact CB-CE2 4.23Å; F182-F203 HydrophobicContact CD2-CE1 4.4Å; F182-F203 AromaticContact CD2-CE2 3.84Å; F182-F203 HydrophobicContact CD2-CE2 3.84Å; F182-F203 AromaticContact CD2-CZ 3.52Å; F182-F203 HydrophobicContact CD2-CZ 3.52Å; F182-F203 HydrophobicContact CE2-CZ 4.09Å; F182-F203 HydrophobicContact CG-CE2 4.38Å; F182-F203 HydrophobicContact CG-CZ 4.47Å; G183-F203 WeakPolarHBondContact O-CB 3.37Å; G183-F203 WeakPolarHBondContact O-CG 3.46Å; F184-F203 HydrophobicContact CD1-CD1 4.26Å; F184-F203 HydrophobicContact CE1-CD1 4.47Å; G201-F203 PolarHBondContact O-N 2.94Å; F203-H206 PolarHBondContact O-CE1 3.47Å; F203-H206 VanDerWaalsContact O-CE1 3.27Å; F203-K212 HydrophobicContact CE2-CG 4.01Å; F203-K212 HydrophobicContact CZ-CG 3.68Å; F203-K212 WeakPolarHBondContact CZ-O 3.19Å; F203-S246 VanDerWaalsContact CE1-OG 3.28Å; F203-S246 WeakPolarHBondContact CE1-OG 3.11Å
204	T	94.8	Very high	95.8	Very high	63 Å²	63	42.9 Å²	42.9	39%	0.387	24%	0.235	S	C	.	.	S	Bend	trans	-104.8	-48.9	-178	53	0	0	0	0	113	D202 G210 G211	D202-T204 PolarHBondContact OD1-N 3.13Å; D202-T204 VanDerWaalsContact OD1-N 3.13Å; D202-T204 PolarHBondContact OD1-OG1 3.5Å; T204-G210 VanDerWaalsContact OG1-CA 3.27Å; T204-G210 WeakPolarHBondContact OG1-CA 3.25Å; T204-G211 PolarHBondContact OG1-N 2.79Å
205	N	93.8	Very high	95.7	Very high	87 Å²	87	45.9 Å²	45.9	47%	0.465	24%	0.243	S	C	.	.	S	Bend	trans	-110.7	-16.6	-176	-66.2	-7.9	0	0	0	111.8	D202 N207 T209	D202-N205 PolarHBondContact OD1-N 3.47Å; N205-N207 WeakPolarHBondContact CB-OD1 3.39Å; N205-N207 PolarHBondContact O-N 2.97Å; N205-N207 VanDerWaalsContact O-N 3.16Å; N205-T209 PolarHBondContact ND2-OG1 2.77Å
206	H	92.2	Very high	95.6	Very high	99 Å²	99	41.5 Å²	41.5	46%	0.458	23%	0.232	S	C	.	.	S	Bend	trans	56.3	27.5	178.1	-52.3	-59.5	0	0	0	114.6	D202 F203	D202-H206 WeakPolarHBondContact O-CA 3.27Å; D202-H206 PolarHBondContact O-ND1 3.31Å; D202-H206 PolarHBondContact OD1-N 3.03Å; D202-H206 PolarHBondContact OD2-N 3.06Å; D202-H206 VanDerWaalsContact OD2-N 3.11Å; F203-H206 PolarHBondContact O-CE1 3.47Å; F203-H206 VanDerWaalsContact O-CE1 3.27Å
207	N	89.8	Confident	95.2	Very high	96 Å²	96	48.2 Å²	48.2	51%	0.513	26%	0.261	S	S	.	.	S	Bend	trans	-138.5	3.2	-175.1	67.1	9.6	0	0	0	113.7	D202 N205 T209	D202-N207 PolarHBondContact OD2-N 3.02Å; D202-N207 PolarHBondContact OD2-OD1 3.43Å; N205-N207 WeakPolarHBondContact CB-OD1 3.39Å; N205-N207 PolarHBondContact O-N 2.97Å; N205-N207 VanDerWaalsContact O-N 3.16Å; N207-T209 WeakPolarHBondContact OD1-CB 3.48Å; N207-T209 WeakPolarHBondContact OD1-CG2 3.44Å; N207-T209 PolarHBondContact OD1-N 3.46Å; N207-T209 PolarHBondContact OD1-OG1 2.78Å
208	G	91.1	Very high	94.9	Very high	25 Å²	25	53.4 Å²	53.4	26%	0.258	28%	0.284	S	S	.	.	S	Bend	trans	91.6	2.2	180	0	0	0	0	0	114.4	H190 D202 Q247	H190-G208 VanDerWaalsContact NE2-CA 3.27Å; H190-G208 WeakPolarHBondContact NE2-CA 3.48Å; D202-G208 PolarHBondContact OD2-N 3.42Å; G208-Q247 PolarHBondContact O-NE2 3.39Å
209	T	92.9	Very high	94.8	Very high	103 Å²	103	54.2 Å²	54.2	63%	0.632	29%	0.287	S	S	*	.	S	Bend	trans	-99.4	-13.1	177.3	66.4	0	0	0	0	113.5	D202 N205 N207	D202-T209 PolarHBondContact OD2-N 2.89Å; N205-T209 PolarHBondContact ND2-OG1 2.77Å; N207-T209 WeakPolarHBondContact OD1-CB 3.48Å; N207-T209 WeakPolarHBondContact OD1-CG2 3.44Å; N207-T209 PolarHBondContact OD1-N 3.46Å; N207-T209 PolarHBondContact OD1-OG1 2.78Å
210	G	94	Very high	94.6	Very high	15 Å²	15	58 Å²	58	16%	0.155	31%	0.308	C	S	.	.			trans	-103.9	-159.1	-174.8	0	0	0	0	0	114.2	D202 T204 Q247	D202-G210 VanDerWaalsContact OD1-CA 3.3Å; D202-G210 WeakPolarHBondContact OD1-CA 3.36Å; D202-G210 PolarHBondContact OD2-N 3.29Å; D202-G210 VanDerWaalsContact OD2-N 3.15Å; T204-G210 VanDerWaalsContact OG1-CA 3.27Å; T204-G210 WeakPolarHBondContact OG1-CA 3.25Å; G210-Q247 PolarHBondContact O-NE2 2.82Å
211	G	95.7	Very high	94.6	Very high	20 Å²	20	59.1 Å²	59.1	21%	0.206	31%	0.314	C	S	.	.			trans	104.5	153.9	-177.2	0	0	0	0	0	112.3	T204 S246	T204-G211 PolarHBondContact OG1-N 2.79Å; G211-S246 WeakPolarHBondContact CA-OG 3.12Å
212	K	96	Very high	94.5	Very high	83 Å²	83	61.6 Å²	61.6	36%	0.361	33%	0.326	S	S	.	.			trans	-151.9	146.8	171.7	63	175.7	-175.5	174.8	0	109.7	F182 F203 S246	F182-K212 HydrophobicContact CD2-CG 4.41Å; F182-K212 HydrophobicContact CE2-CD 4.36Å; F182-K212 HydrophobicContact CE2-CG 4.07Å; F182-K212 HydrophobicContact CZ-CD 4.45Å; F203-K212 HydrophobicContact CE2-CG 4.01Å; F203-K212 HydrophobicContact CZ-CG 3.68Å; F203-K212 WeakPolarHBondContact CZ-O 3.19Å; K212-S246 PolarHBondContact N-OG 3.47Å; K212-S246 WeakPolarHBondContact O-CB 3.47Å
213	S	97.8	Very high	94.4	Very high	2 Å²	2	63.4 Å²	63.4	1%	0.014	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-81.7	173	173.7	74.8	0	0	0	0	111.3	N171 Y215 G216	N171-S213 WeakPolarHBondContact OD1-CA 3.48Å; N171-S213 VanDerWaalsContact OD1-CB 3.24Å; N171-S213 WeakPolarHBondContact OD1-CB 3.43Å; S213-Y215 PolarHBondContact O-N 2.96Å; S213-Y215 PolarHBondContact OG-N 3.06Å; S213-G216 WeakPolarHBondContact CA-O 3.29Å; S213-G216 PolarHBondContact N-O 2.97Å; S213-G216 PolarHBondContact OG-N 3.45Å; S213-G216 PolarHBondContact OG-O 3Å
214	I	97.4	Very high	94.4	Very high	40 Å²	40	64.9 Å²	64.9	21%	0.205	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-14.8	168.2	66.1	172.5	0	0	0	113.4	E170 N171 C174 K180 F182	E170-I214 HydrophobicContact CG-CD1 4.09Å; N171-I214 HydrophobicContact CB-CG1 4.23Å; N171-I214 PolarHBondContact OD1-N 2.81Å; C174-I214 HydrophobicContact CB-CD1 4.16Å; C174-I214 HydrophobicContact CB-CG2 3.55Å; K180-I214 HydrophobicContact CB-CG2 4.5Å; K180-I214 HydrophobicContact CG-CB 4.4Å; K180-I214 HydrophobicContact CG-CG2 3.91Å; F182-I214 HydrophobicContact CZ-CG2 4.49Å
215	Y	95.4	Very high	94.5	Very high	99 Å²	99	67.5 Å²	67.5	39%	0.388	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-7.3	-178.3	-49	-60.8	0	0	0	113.1	M167 N171 S213 F219	M167-Y215 HydrophobicContact CB-CE2 4.32Å; M167-Y215 HydrophobicContact CE-CD2 4.47Å; M167-Y215 HydrophobicContact CE-CE2 4.26Å; M167-Y215 PolarHBondContact O-OH 3.14Å; M167-Y215 VanDerWaalsContact O-OH 3.06Å; N171-Y215 HydrophobicContact CB-CE2 3.92Å; S213-Y215 PolarHBondContact O-N 2.96Å; S213-Y215 PolarHBondContact OG-N 3.06Å; Y215-F219 HydrophobicContact CD2-CB 4.18Å; Y215-F219 HydrophobicContact CD2-CD1 4.24Å; Y215-F219 HydrophobicContact CD2-CG 4.08Å
216	G	93.8	Very high	94.6	Very high	35 Å²	35	65 Å²	65	36%	0.361	34%	0.339	S	S	.	.	B	Isolated β-bridge	trans	138.5	-163.1	-173.5	0	0	0	0	0	111.9	S213 K218	S213-G216 WeakPolarHBondContact CA-O 3.29Å; S213-G216 PolarHBondContact N-O 2.97Å; S213-G216 PolarHBondContact OG-N 3.45Å; S213-G216 PolarHBondContact OG-O 3Å; G216-K218 VanDerWaalsContact C-N 3.35Å; G216-K218 PolarHBondContact O-N 3Å
217	K	89.2	Confident	94.9	Very high	184 Å²	184	64.7 Å²	64.7	80%	0.8	34%	0.336	S	S	*	.	S	Bend	trans	-61.3	-44.2	179.3	-73.3	-176.1	179	177.1	0	111.9
218	K	93.1	Very high	95.3	Very high	113 Å²	113	60.1 Å²	60.1	49%	0.491	31%	0.312	S	S	.	.			trans	-140	159.2	-177.3	-67.4	175.1	171.4	-171.3	0	110.9	G216 S239 T243 N244	G216-K218 VanDerWaalsContact C-N 3.35Å; G216-K218 PolarHBondContact O-N 3Å; K218-S239 PolarHBondContact NZ-OG 2.77Å; K218-T243 HydrophobicContact CD-CG2 3.87Å; K218-N244 CarbonylContact C-O 3.59Å; K218-N244 WeakPolarHBondContact CA-O 3.44Å
219	F	95	Very high	95.5	Very high	16 Å²	16	63.9 Å²	63.9	7%	0.07	33%	0.33	C	S	.	.	B	Isolated β-bridge	trans	-143.1	165	170.2	71.5	-82.3	0	0	0	111	T168 N171 Y215 M236 N242 N244	T168-F219 HydrophobicContact CG2-CZ 4.27Å; N171-F219 HydrophobicContact CB-CE1 4.48Å; N171-F219 HydrophobicContact CB-CZ 4.5Å; Y215-F219 HydrophobicContact CD2-CB 4.18Å; Y215-F219 HydrophobicContact CD2-CD1 4.24Å; Y215-F219 HydrophobicContact CD2-CG 4.08Å; F219-M236 HydrophobicContact CE1-CE 4.13Å; F219-M236 HydrophobicContact CZ-CE 4.12Å; F219-N242 CarbonylContact O-C 3.59Å; F219-N244 HydrophobicContact CD1-CB 3.76Å; F219-N244 WeakPolarHBondContact CD1-O 3.36Å; F219-N244 HydrophobicContact CD2-CB 4.11Å; F219-N244 HydrophobicContact CE1-CB 3.43Å; F219-N244 VanDerWaalsContact CE1-CB 3.43Å; F219-N244 HydrophobicContact CE2-CB 3.8Å; F219-N244 HydrophobicContact CG-CB 4.09Å; F219-N244 HydrophobicContact CZ-CB 3.46Å; F219-N244 VanDerWaalsContact CZ-CB 3.46Å; F219-N244 PolarHBondContact N-O 2.95Å; F219-N244 WeakPolarHBondContact O-CB 3.46Å; F219-N244 PolarHBondContact O-N 3.39Å
220	D	96.2	Very high	95.6	Very high	108 Å²	108	59.5 Å²	59.5	58%	0.578	31%	0.305	S	S	*	.			trans	-71.3	161.8	-171	-63.2	-15.5	0	0	0	113.7	E222 N242 N244	D220-E222 PolarHBondContact O-N 2.96Å; D220-N242 HydrophobicContact CB-CB 4.31Å; D220-N242 WeakPolarHBondContact OD1-CB 3.28Å; D220-N244 PolarHBondContact O-ND2 2.85Å
221	D	96.6	Very high	95.8	Very high	24 Å²	24	61.6 Å²	61.6	13%	0.128	32%	0.316	C	S	.	.			trans	-73.9	108.5	169.2	-66.1	-50.4	0	0	0	109.5	F224 P241 N242 N244 V263	D221-F224 HydrophobicContact CB-CE1 4.17Å; D221-F224 HydrophobicContact CB-CE2 4.15Å; D221-F224 HydrophobicContact CB-CZ 3.55Å; D221-P241 WeakPolarHBondContact OD2-CA 2.99Å; D221-N242 PolarHBondContact N-OD1 3.36Å; D221-N242 PolarHBondContact OD2-N 3.2Å; D221-N244 WeakPolarHBondContact CA-ND2 3.28Å; D221-N244 PolarHBondContact N-ND2 3.3Å; D221-N244 PolarHBondContact OD1-ND2 3.31Å; D221-V263 HydrophobicContact CB-CG2 3.87Å
222	E	95.9	Very high	95.9	Very high	53 Å²	53	60.8 Å²	60.8	25%	0.248	31%	0.308	C	S	.	.			trans	-65.4	-47.5	-171.3	-171.7	167.1	-166.7	0	0	113.3	V165 P166 M167 T168 D220	V165-E222 VanDerWaalsContact C-CD 3.45Å; V165-E222 VanDerWaalsContact CA-CD 3.42Å; V165-E222 VanDerWaalsContact CA-OE2 3.23Å; V165-E222 WeakPolarHBondContact CA-OE2 3.44Å; V165-E222 HydrophobicContact CB-CG 4.41Å; V165-E222 VanDerWaalsContact CB-OE2 3.28Å; V165-E222 WeakPolarHBondContact CB-OE2 3.37Å; V165-E222 HydrophobicContact CG1-CB 4.21Å; V165-E222 HydrophobicContact CG1-CG 4.23Å; P166-E222 WeakPolarHBondContact CD-OE1 3.13Å; P166-E222 VanDerWaalsContact CG-OE1 3.25Å; P166-E222 WeakPolarHBondContact CG-OE1 3.22Å; P166-E222 VanDerWaalsContact N-OE1 3.07Å; M167-E222 PolarHBondContact N-OE1 3.42Å; M167-E222 PolarHBondContact N-OE2 3.45Å; M167-E222 VanDerWaalsContact N-OE2 3.15Å; T168-E222 WeakPolarHBondContact CB-OE2 3.26Å; T168-E222 PolarHBondContact N-OE2 2.97Å; T168-E222 PolarHBondContact OG1-OE2 3.46Å; D220-E222 PolarHBondContact O-N 2.96Å
223	N	95.8	Very high	96	Very high	37 Å²	37	57.7 Å²	57.7	20%	0.198	30%	0.295	C	S	.	.			trans	-169.7	173.3	164.8	60.2	76.3	0	0	0	110.2	V164 V165 I225	V164-N223 PolarHBondContact O-ND2 3.06Å; V165-N223 WeakPolarHBondContact CG1-ND2 3.37Å; N223-I225 HydrophobicContact CB-CD1 4.34Å; N223-I225 HydrophobicContact CB-CG1 4.21Å; N223-I225 WeakPolarHBondContact OD1-CB 3.46Å; N223-I225 WeakPolarHBondContact OD1-CG1 3.22Å; N223-I225 PolarHBondContact OD1-N 3.19Å; N223-I225 VanDerWaalsContact OD1-N 3.14Å
224	F	97.1	Very high	96.1	Very high	61 Å²	61	57.6 Å²	57.6	27%	0.268	29%	0.294	S	S	.	.			trans	-119.3	35	176.7	-55.7	-72.5	0	0	0	112.3	D221 K227 V263	D221-F224 HydrophobicContact CB-CE1 4.17Å; D221-F224 HydrophobicContact CB-CE2 4.15Å; D221-F224 HydrophobicContact CB-CZ 3.55Å; F224-K227 WeakPolarHBondContact O-CE 3.3Å; F224-K227 PolarHBondContact O-NZ 2.88Å; F224-V263 HydrophobicContact CD1-CG2 4.34Å; F224-V263 HydrophobicContact CE1-CG2 3.96Å
225	I	96	Very high	96.1	Very high	117 Å²	117	55.7 Å²	55.7	60%	0.6	29%	0.285	S	S	*	.			trans	-66.2	-49.3	-179.1	-65.7	169.3	0	0	0	110.1	V164 N223	V164-I225 HydrophobicContact CG1-CB 3.96Å; V164-I225 HydrophobicContact CG1-CD1 4.05Å; V164-I225 HydrophobicContact CG1-CG2 4.18Å; N223-I225 HydrophobicContact CB-CD1 4.34Å; N223-I225 HydrophobicContact CB-CG1 4.21Å; N223-I225 WeakPolarHBondContact OD1-CB 3.46Å; N223-I225 WeakPolarHBondContact OD1-CG1 3.22Å; N223-I225 PolarHBondContact OD1-N 3.19Å; N223-I225 VanDerWaalsContact OD1-N 3.14Å
226	L	95.6	Very high	96.3	Very high	34 Å²	34	51 Å²	51	18%	0.178	27%	0.266	C	S	.	.	S	Bend	trans	-73.4	141.2	176.4	-63.2	173.9	0	0	0	110.5	R161 V164 V264	R161-L226 HydrophobicContact CB-CD1 3.73Å; R161-L226 HydrophobicContact CG-CD1 3.78Å; V164-L226 HydrophobicContact CB-CD1 4.25Å; V164-L226 HydrophobicContact CG1-CD1 4.36Å; V164-L226 HydrophobicContact CG1-CG 4.17Å; V164-L226 HydrophobicContact CG2-CD1 4.45Å; L226-V264 HydrophobicContact CB-CB 3.66Å; L226-V264 HydrophobicContact CB-CG1 3.78Å; L226-V264 WeakPolarHBondContact CD1-O 3.36Å
227	K	97.9	Very high	96.4	Very high	93 Å²	93	49.8 Å²	49.8	40%	0.404	25%	0.253	S	S	.	.			trans	-120.8	156.9	-171.6	-55.7	-58.2	-177.7	-174.1	0	111.3	F224 T229 L233 D259	F224-K227 WeakPolarHBondContact O-CE 3.3Å; F224-K227 PolarHBondContact O-NZ 2.88Å; K227-T229 HydrophobicContact CB-CG2 3.96Å; K227-T229 PolarHBondContact O-N 2.76Å; K227-L233 WeakPolarHBondContact O-CD1 3.27Å; K227-D259 HydrophobicContact CD-CB 4.14Å
228	H	98.3	Very high	96.6	Very high	1 Å²	1	43 Å²	43	1%	0.005	23%	0.226	C	C	.	.			trans	-81.2	64.9	178.6	-58.6	83.4	0	0	0	111.4	G230 S235 F249 K254 T255 D259 V264	H228-G230 VanDerWaalsContact C-N 3.35Å; H228-G230 PolarHBondContact O-N 2.99Å; H228-S235 WeakPolarHBondContact NE2-CB 3.38Å; H228-S235 PolarHBondContact NE2-OG 3.29Å; H228-F249 AromaticContact NE2-CE2 3.97Å; H228-F249 AromaticContact NE2-CZ 3.59Å; H228-K254 WeakPolarHBondContact O-CG 3.44Å; H228-T255 VanDerWaalsContact CB-O 3.29Å; H228-T255 WeakPolarHBondContact CB-O 3.5Å; H228-T255 VanDerWaalsContact CB-OG1 3.29Å; H228-T255 WeakPolarHBondContact CB-OG1 3.44Å; H228-T255 PolarHBondContact CD2-OG1 2.85Å; H228-T255 PolarHBondContact O-N 3.02Å; H228-D259 IonicContact CE1-OD1 3.65Å; H228-D259 IonicContact CG-OD1 3.26Å; H228-D259 PolarHBondContact N-OD1 2.78Å; H228-D259 IonicContact ND1-OD1 3.89Å; H228-D259 PolarHBondContact ND1-OD1 2.79Å; H228-V264 WeakPolarHBondContact CE1-CG2 3.5Å; H228-V264 WeakPolarHBondContact NE2-CG2 3.44Å
229	T	96.4	Very high	96.5	Very high	103 Å²	103	42 Å²	42	63%	0.632	23%	0.232	S	C	*	.			trans	-75.2	-18.2	-170.8	55.7	0	0	0	0	114.6	K227	K227-T229 HydrophobicContact CB-CG2 3.96Å; K227-T229 PolarHBondContact O-N 2.76Å
230	G	95.1	Very high	96.3	Very high	12 Å²	12	42.4 Å²	42.4	12%	0.124	24%	0.242	C	C	.	.	S	Bend	trans	-177.8	-170.1	-177.1	0	0	0	0	0	114	H228 T251 D253	H228-G230 VanDerWaalsContact C-N 3.35Å; H228-G230 PolarHBondContact O-N 2.99Å; G230-T251 WeakPolarHBondContact O-CB 3.41Å; G230-T251 PolarHBondContact O-OG1 2.9Å; G230-D253 CarbonylContact C-O 3.55Å
231	P	97.7	Very high	96.2	Very high	58 Å²	58	42.3 Å²	42.3	38%	0.377	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	155.5	178.3	31.2	-36.1	0	0	0	112.4	T251	P231-T251 WeakPolarHBondContact CA-OG1 3.16Å
232	G	97.5	Very high	96	Very high	4 Å²	4	44.9 Å²	44.9	4%	0.041	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.9	13.4	175.7	0	0	0	0	0	114.4	T251 E267 V268	G232-T251 PolarHBondContact N-O 3.47Å; G232-T251 PolarHBondContact N-OG1 3.38Å; G232-E267 CarbonylContact O-C 3.47Å; G232-E267 VanDerWaalsContact O-CA 3.31Å; G232-E267 WeakPolarHBondContact O-CA 3.37Å; G232-V268 WeakPolarHBondContact O-CG2 3.43Å; G232-V268 PolarHBondContact O-N 2.88Å
233	L	98.7	Very high	96	Very high	17 Å²	17	43.6 Å²	43.6	9%	0.089	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	140.2	175.7	-59.2	176.3	0	0	0	110.6	K227 L250 T251 V264 E267	K227-L233 WeakPolarHBondContact O-CD1 3.27Å; L233-L250 WeakPolarHBondContact O-CA 3.47Å; L233-T251 HydrophobicContact CB-CG2 4.2Å; L233-T251 WeakPolarHBondContact CB-OG1 3.49Å; L233-T251 PolarHBondContact N-OG1 2.85Å; L233-T251 PolarHBondContact O-N 3.46Å; L233-V264 HydrophobicContact CB-CG1 4.44Å; L233-E267 HydrophobicContact CD2-CB 3.97Å
234	L	98.5	Very high	96	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	129.3	171.6	-82.9	170.2	0	0	0	110.2	M158 L160 F172 F248 L250 V264 F265 G266	M158-L234 HydrophobicContact CB-CD1 3.77Å; M158-L234 HydrophobicContact CG-CD1 3.9Å; M158-L234 HydrophobicContact CG-CG 4.44Å; M158-L234 HydrophobicContact SD-CD1 3.72Å; M158-L234 HydrophobicContact SD-CD2 3.93Å; M158-L234 HydrophobicContact SD-CG 4.11Å; L160-L234 HydrophobicContact CD2-CD1 3.76Å; F172-L234 HydrophobicContact CE1-CD1 4.17Å; F172-L234 HydrophobicContact CE2-CD2 4.27Å; F172-L234 HydrophobicContact CZ-CD1 4.24Å; F172-L234 HydrophobicContact CZ-CD2 3.98Å; L234-F248 HydrophobicContact CD2-CD2 3.68Å; L234-F248 HydrophobicContact CD2-CE2 4.06Å; L234-L250 HydrophobicContact CD2-CD2 3.45Å; L234-L250 VanDerWaalsContact CD2-CD2 3.45Å; L234-L250 HydrophobicContact CD2-CG 3.94Å; L234-L250 HydrophobicContact CG-CD2 3.7Å; L234-V264 WeakPolarHBondContact O-CA 3.32Å; L234-F265 HydrophobicContact CB-CD1 4.47Å; L234-F265 HydrophobicContact CB-CD2 4.28Å; L234-F265 HydrophobicContact CB-CE1 4.13Å; L234-F265 HydrophobicContact CB-CE2 3.91Å; L234-F265 HydrophobicContact CB-CZ 3.83Å; L234-F265 HydrophobicContact CD1-CE2 3.91Å; L234-F265 HydrophobicContact CD1-CZ 4.37Å; L234-F265 HydrophobicContact CD2-CZ 4.19Å; L234-F265 HydrophobicContact CG-CE2 4.37Å; L234-F265 HydrophobicContact CG-CZ 4.38Å; L234-F265 PolarHBondContact O-N 3.28Å; L234-G266 PolarHBondContact N-O 3.49Å
235	S	98.6	Very high	96.1	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	148.3	178.9	-174.5	0	0	0	0	111.9	H228 F248 F249 H262 V263	H228-S235 WeakPolarHBondContact NE2-CB 3.38Å; H228-S235 PolarHBondContact NE2-OG 3.29Å; S235-F248 CarbonylContact O-C 3.42Å; S235-F248 VanDerWaalsContact O-CA 3.29Å; S235-F248 WeakPolarHBondContact O-CA 3.23Å; S235-F249 PolarHBondContact N-O 3.04Å; S235-F249 WeakPolarHBondContact O-CD1 3.49Å; S235-F249 PolarHBondContact O-N 3.31Å; S235-F249 VanDerWaalsContact OG-CZ 3.27Å; S235-F249 WeakPolarHBondContact OG-CZ 3.49Å; S235-H262 WeakPolarHBondContact OG-CB 3.45Å; S235-V263 VanDerWaalsContact CA-O 3.31Å; S235-V263 WeakPolarHBondContact CA-O 3.28Å; S235-V263 PolarHBondContact OG-O 3.47Å
236	M	98.4	Very high	96.2	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	132.5	-176.6	-71	-57.5	-67.3	0	0	111.3	T168 F219 N244 Q247 F249 H262 V263 F265	T168-M236 HydrophobicContact CG2-CG 3.65Å; T168-M236 HydrophobicContact CG2-SD 4.01Å; F219-M236 HydrophobicContact CE1-CE 4.13Å; F219-M236 HydrophobicContact CZ-CE 4.12Å; M236-N244 VanDerWaalsContact CB-OD1 3.27Å; M236-N244 WeakPolarHBondContact CB-OD1 3.27Å; M236-N244 HydrophobicContact CE-CB 3.95Å; M236-Q247 WeakPolarHBondContact CE-O 3.24Å; M236-F249 WeakPolarHBondContact O-CE1 2.99Å; M236-H262 PolarHBondContact O-ND1 2.74Å; M236-V263 HydrophobicContact CG-CB 4.42Å; M236-V263 PolarHBondContact N-O 3.5Å; M236-F265 HydrophobicContact CG-CD1 3.82Å; M236-F265 HydrophobicContact CG-CE1 3.78Å; M236-F265 HydrophobicContact SD-CD1 4.04Å; M236-F265 HydrophobicContact SD-CE1 3.49Å; M236-F265 WeakPolarHBondContact SD-CE1 3.43Å; M236-F265 HydrophobicContact SD-CZ 4.07Å
237	A	97.3	Very high	96.3	Very high	10 Å²	10	33.3 Å²	33.3	8%	0.083	21%	0.208	C	C	.	.			trans	-84.1	136.1	166.1	0	0	0	0	0	109.1	Q199 Q247 F249	Q199-A237 HydrophobicContact CG-CB 4.32Å; A237-Q247 HydrophobicContact CB-CB 3.78Å; A237-Q247 PolarHBondContact N-O 3.02Å; A237-F249 HydrophobicContact CB-CD1 4.32Å
238	N	93.9	Very high	96.3	Very high	41 Å²	41	28.9 Å²	28.9	22%	0.219	19%	0.188	C	C	.	.			trans	-141.8	172.2	-178.7	68.8	36.1	0	0	0	111.3	G240 K261 H262	N238-G240 PolarHBondContact OD1-N 2.85Å; N238-K261 PolarHBondContact ND2-O 3.39Å; N238-H262 PolarHBondContact OD1-CE1 2.79Å
239	S	90.4	Very high	96.4	Very high	91 Å²	91	29.2 Å²	29.2	64%	0.636	19%	0.19	S	C	*	.	S	Bend	trans	-113.2	25.9	178.8	55.1	0	0	0	0	112	K218 T243	K218-S239 PolarHBondContact NZ-OG 2.77Å; S239-T243 WeakPolarHBondContact CA-OG1 3.26Å; S239-T243 PolarHBondContact N-OG1 3.45Å; S239-T243 WeakPolarHBondContact OG-CB 3.45Å; S239-T243 PolarHBondContact OG-OG1 3.4Å
240	G	91	Very high	96.5	Very high	26 Å²	26	24.3 Å²	24.3	27%	0.268	16%	0.16	S	C	.	.	S	Bend	trans	124.5	175.4	-168.6	0	0	0	0	0	112.3	N238 T243	N238-G240 PolarHBondContact OD1-N 2.85Å; G240-T243 PolarHBondContact N-OG1 3.4Å; G240-T243 PolarHBondContact O-N 3.09Å; G240-T243 PolarHBondContact O-OG1 3.31Å
241	P	93.8	Very high	96.6	Very high	105 Å²	105	23.7 Å²	23.7	68%	0.682	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.3	140.7	-178.5	-24.4	34.2	0	0	0	112.2	D221 T243	D221-P241 WeakPolarHBondContact OD2-CA 2.99Å; P241-T243 VanDerWaalsContact C-N 3.29Å; P241-T243 WeakPolarHBondContact O-CG2 3.4Å; P241-T243 PolarHBondContact O-N 3.41Å
242	N	92.6	Very high	96.6	Very high	79 Å²	79	21.1 Å²	21.1	42%	0.422	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	35.8	175.5	-58.4	-28.6	0	0	0	114.5	F219 D220 D221	F219-N242 CarbonylContact O-C 3.59Å; D220-N242 HydrophobicContact CB-CB 4.31Å; D220-N242 WeakPolarHBondContact OD1-CB 3.28Å; D221-N242 PolarHBondContact N-OD1 3.36Å; D221-N242 PolarHBondContact OD2-N 3.2Å
243	T	94.7	Very high	96.6	Very high	25 Å²	25	24.7 Å²	24.7	15%	0.153	16%	0.155	C	C	.	.			trans	-120.8	30	179.2	65.9	0	0	0	0	114.2	K218 S239 G240 P241	K218-T243 HydrophobicContact CD-CG2 3.87Å; S239-T243 WeakPolarHBondContact CA-OG1 3.26Å; S239-T243 PolarHBondContact N-OG1 3.45Å; S239-T243 WeakPolarHBondContact OG-CB 3.45Å; S239-T243 PolarHBondContact OG-OG1 3.4Å; G240-T243 PolarHBondContact N-OG1 3.4Å; G240-T243 PolarHBondContact O-N 3.09Å; G240-T243 PolarHBondContact O-OG1 3.31Å; P241-T243 VanDerWaalsContact C-N 3.29Å; P241-T243 WeakPolarHBondContact O-CG2 3.4Å; P241-T243 PolarHBondContact O-N 3.41Å
244	N	97.3	Very high	96.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-67.9	135	178.6	-61.8	-53.5	0	0	0	110.6	K218 F219 D220 D221 M236	K218-N244 CarbonylContact C-O 3.59Å; K218-N244 WeakPolarHBondContact CA-O 3.44Å; F219-N244 HydrophobicContact CD1-CB 3.76Å; F219-N244 WeakPolarHBondContact CD1-O 3.36Å; F219-N244 HydrophobicContact CD2-CB 4.11Å; F219-N244 HydrophobicContact CE1-CB 3.43Å; F219-N244 VanDerWaalsContact CE1-CB 3.43Å; F219-N244 HydrophobicContact CE2-CB 3.8Å; F219-N244 HydrophobicContact CG-CB 4.09Å; F219-N244 HydrophobicContact CZ-CB 3.46Å; F219-N244 VanDerWaalsContact CZ-CB 3.46Å; F219-N244 PolarHBondContact N-O 2.95Å; F219-N244 WeakPolarHBondContact O-CB 3.46Å; F219-N244 PolarHBondContact O-N 3.39Å; D220-N244 PolarHBondContact O-ND2 2.85Å; D221-N244 WeakPolarHBondContact CA-ND2 3.28Å; D221-N244 PolarHBondContact N-ND2 3.3Å; D221-N244 PolarHBondContact OD1-ND2 3.31Å; M236-N244 VanDerWaalsContact CB-OD1 3.27Å; M236-N244 WeakPolarHBondContact CB-OD1 3.27Å; M236-N244 HydrophobicContact CE-CB 3.95Å
245	G	97.6	Very high	96.3	Very high	10 Å²	10	28.7 Å²	28.7	10%	0.103	17%	0.171	C	C	.	.			trans	-129.1	-109.5	179.4	0	0	0	0	0	111.1	N171	N171-G245 PolarHBondContact ND2-O 2.94Å
246	S	98.2	Very high	96.2	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.014	19%	0.189	C	C	.	.	S	Bend	trans	-118.5	-12.5	171.2	59.1	0	0	0	0	113.8	F184 G201 F203 G211 K212	F184-S246 WeakPolarHBondContact CE1-O 3.49Å; F184-S246 WeakPolarHBondContact CZ-O 3.41Å; G201-S246 WeakPolarHBondContact O-CB 3.39Å; G201-S246 PolarHBondContact O-OG 3.29Å; F203-S246 VanDerWaalsContact CE1-OG 3.28Å; F203-S246 WeakPolarHBondContact CE1-OG 3.11Å; G211-S246 WeakPolarHBondContact CA-OG 3.12Å; K212-S246 PolarHBondContact N-OG 3.47Å; K212-S246 WeakPolarHBondContact O-CB 3.47Å
247	Q	98.6	Very high	96.1	Very high	22 Å²	22	38.2 Å²	38.2	10%	0.103	21%	0.213	C	C	.	.			trans	-72.2	138.5	-179.4	-65.7	-169.4	52.9	0	0	110.5	H190 G200 D202 G208 G210 M236 A237	H190-Q247 PolarHBondContact CE1-OE1 3.01Å; H190-Q247 PolarHBondContact NE2-OE1 3.04Å; G200-Q247 VanDerWaalsContact O-CA 3.28Å; G200-Q247 WeakPolarHBondContact O-CA 3.46Å; D202-Q247 HydrophobicContact CB-CG 4.11Å; G208-Q247 PolarHBondContact O-NE2 3.39Å; G210-Q247 PolarHBondContact O-NE2 2.82Å; M236-Q247 WeakPolarHBondContact CE-O 3.24Å; A237-Q247 HydrophobicContact CB-CB 3.78Å; A237-Q247 PolarHBondContact N-O 3.02Å
248	F	98.8	Very high	96	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	166.4	-178.2	70.1	-85.7	0	0	0	109.3	M144 F172 F184 F189 Q199 G200 L234 S235 L250 F265 I294	M144-F248 HydrophobicContact CE-CE1 4.01Å; M144-F248 HydrophobicContact CE-CE2 4.46Å; M144-F248 HydrophobicContact CE-CZ 3.64Å; M144-F248 HydrophobicContact SD-CZ 3.86Å; F172-F248 HydrophobicContact CD2-CD1 4.44Å; F172-F248 HydrophobicContact CD2-CG 4.5Å; F172-F248 HydrophobicContact CE2-CB 4.14Å; F172-F248 AromaticContact CE2-CD1 3.6Å; F172-F248 HydrophobicContact CE2-CD1 3.6Å; F172-F248 AromaticContact CE2-CD2 3.93Å; F172-F248 HydrophobicContact CE2-CD2 3.93Å; F172-F248 AromaticContact CE2-CE1 3.89Å; F172-F248 HydrophobicContact CE2-CE1 3.89Å; F172-F248 HydrophobicContact CE2-CE2 4.2Å; F172-F248 AromaticContact CE2-CG 3.62Å; F172-F248 HydrophobicContact CE2-CG 3.62Å; F172-F248 HydrophobicContact CE2-CZ 4.19Å; F172-F248 HydrophobicContact CZ-CD1 4.46Å; F172-F248 HydrophobicContact CZ-CD2 4.36Å; F172-F248 HydrophobicContact CZ-CE1 4.37Å; F172-F248 HydrophobicContact CZ-CE2 4.27Å; F172-F248 HydrophobicContact CZ-CG 4.46Å; F172-F248 HydrophobicContact CZ-CZ 4.28Å; F184-F248 HydrophobicContact CD1-CE1 4.21Å; F184-F248 HydrophobicContact CE1-CD1 4.03Å; F184-F248 AromaticContact CE1-CE1 3.93Å; F184-F248 HydrophobicContact CE1-CE1 3.93Å; F184-F248 HydrophobicContact CE2-CE1 4.31Å; F184-F248 AromaticContact CZ-CD1 3.9Å; F184-F248 HydrophobicContact CZ-CD1 3.9Å; F184-F248 AromaticContact CZ-CE1 3.97Å; F184-F248 HydrophobicContact CZ-CE1 3.97Å; F189-F248 HydrophobicContact CE1-CE2 4.04Å; F189-F248 HydrophobicContact CE1-CZ 4.23Å; F189-F248 HydrophobicContact CZ-CE2 4.12Å; F189-F248 HydrophobicContact CZ-CZ 4.04Å; Q199-F248 CarbonylContact C-O 3.53Å; Q199-F248 VanDerWaalsContact CA-O 3.32Å; Q199-F248 WeakPolarHBondContact CA-O 3.21Å; G200-F248 PolarHBondContact N-O 2.98Å; G200-F248 PolarHBondContact O-N 2.9Å; G200-F248 VanDerWaalsContact O-N 3.12Å; L234-F248 HydrophobicContact CD2-CD2 3.68Å; L234-F248 HydrophobicContact CD2-CE2 4.06Å; S235-F248 CarbonylContact O-C 3.42Å; S235-F248 VanDerWaalsContact O-CA 3.29Å; S235-F248 WeakPolarHBondContact O-CA 3.23Å; F248-L250 HydrophobicContact CE2-CG 4.45Å; F248-F265 HydrophobicContact CB-CE1 4.44Å; F248-F265 HydrophobicContact CB-CZ 4.26Å; F248-I294 HydrophobicContact CZ-CD1 4.32Å
249	F	98.8	Very high	96.1	Very high	7 Å²	7	39 Å²	39	3%	0.031	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	151.8	168.5	62.8	-88.6	0	0	0	111.8	M197 C198 Q199 H228 S235 M236 A237 T251 L258 H262	M197-F249 HydrophobicContact CB-CB 4.16Å; M197-F249 HydrophobicContact CB-CD2 3.74Å; M197-F249 HydrophobicContact CB-CG 4.28Å; M197-F249 HydrophobicContact CG-CB 4.25Å; M197-F249 HydrophobicContact CG-CD2 4.06Å; M197-F249 HydrophobicContact CG-CG 4.3Å; M197-F249 HydrophobicContact SD-CB 3.89Å; M197-F249 HydrophobicContact SD-CG 4.42Å; C198-F249 CarbonylContact O-C 3.35Å; C198-F249 WeakPolarHBondContact O-CA 3.17Å; Q199-F249 HydrophobicContact CB-CB 4.05Å; H228-F249 AromaticContact NE2-CE2 3.97Å; H228-F249 AromaticContact NE2-CZ 3.59Å; S235-F249 PolarHBondContact N-O 3.04Å; S235-F249 WeakPolarHBondContact O-CD1 3.49Å; S235-F249 PolarHBondContact O-N 3.31Å; S235-F249 VanDerWaalsContact OG-CZ 3.27Å; S235-F249 WeakPolarHBondContact OG-CZ 3.49Å; M236-F249 WeakPolarHBondContact O-CE1 2.99Å; A237-F249 HydrophobicContact CB-CD1 4.32Å; F249-T251 HydrophobicContact CD2-CG2 4.22Å; F249-T251 HydrophobicContact CE2-CG2 3.92Å; F249-L258 HydrophobicContact CE2-CD1 3.95Å; F249-L258 HydrophobicContact CZ-CD1 3.68Å; F249-H262 HydrophobicContact CE1-CB 4.22Å; F249-H262 AromaticContact CE1-ND1 3.95Å; F249-H262 HydrophobicContact CZ-CB 4.2Å
250	L	98.8	Very high	96.2	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	125.8	168.9	-76.4	167.3	0	0	0	108.7	I156 M158 F189 M197 C198 L233 L234 F248 V268 L275	I156-L250 HydrophobicContact CD1-CD1 4.26Å; M158-L250 HydrophobicContact SD-CD2 4.49Å; F189-L250 HydrophobicContact CE1-CD1 4.36Å; F189-L250 HydrophobicContact CZ-CD1 4.32Å; M197-L250 CarbonylContact C-O 3.57Å; M197-L250 VanDerWaalsContact CA-O 3.25Å; M197-L250 WeakPolarHBondContact CA-O 3.12Å; M197-L250 WeakPolarHBondContact CB-O 3.48Å; C198-L250 PolarHBondContact N-O 2.92Å; C198-L250 PolarHBondContact O-N 2.98Å; L233-L250 WeakPolarHBondContact O-CA 3.47Å; L234-L250 HydrophobicContact CD2-CD2 3.45Å; L234-L250 VanDerWaalsContact CD2-CD2 3.45Å; L234-L250 HydrophobicContact CD2-CG 3.94Å; L234-L250 HydrophobicContact CG-CD2 3.7Å; F248-L250 HydrophobicContact CE2-CG 4.45Å; L250-V268 HydrophobicContact CD2-CG2 3.56Å; L250-L275 HydrophobicContact CB-CD1 3.68Å; L250-L275 HydrophobicContact CB-CD2 3.97Å; L250-L275 HydrophobicContact CD1-CD1 3.84Å; L250-L275 HydrophobicContact CG-CD1 4.39Å
251	T	98.6	Very high	96.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	141.3	179	59.3	0	0	0	0	111.4	G230 P231 G232 L233 F249	G230-T251 WeakPolarHBondContact O-CB 3.41Å; G230-T251 PolarHBondContact O-OG1 2.9Å; P231-T251 WeakPolarHBondContact CA-OG1 3.16Å; G232-T251 PolarHBondContact N-O 3.47Å; G232-T251 PolarHBondContact N-OG1 3.38Å; L233-T251 HydrophobicContact CB-CG2 4.2Å; L233-T251 WeakPolarHBondContact CB-OG1 3.49Å; L233-T251 PolarHBondContact N-OG1 2.85Å; L233-T251 PolarHBondContact O-N 3.46Å; F249-T251 HydrophobicContact CD2-CG2 4.22Å; F249-T251 HydrophobicContact CE2-CG2 3.92Å
252	C	97.6	Very high	96.7	Very high	3 Å²	3	37.7 Å²	37.7	2%	0.02	19%	0.192	C	C	.	.	S	Bend	trans	-108.7	-11.3	174.1	-61.9	0	0	0	0	112.9	F196 R276 E279	F196-C252 PolarHBondContact O-N 2.86Å; C252-R276 PolarHBondContact O-NH1 3.28Å; C252-R276 PolarHBondContact O-NH2 2.87Å; C252-E279 HydrophobicContact CB-CG 4.1Å
253	D	97.2	Very high	96.9	Very high	79 Å²	79	33.9 Å²	33.9	42%	0.422	17%	0.171	S	C	.	.	S	Bend	trans	-149.5	179.7	176.9	-151.3	-25.9	0	0	0	109.1	G230 T255	G230-D253 CarbonylContact C-O 3.55Å; D253-T255 PolarHBondContact O-N 3.06Å
254	K	96.8	Very high	97.1	Very high	101 Å²	101	33 Å²	33	44%	0.439	17%	0.166	S	C	.	.			trans	-66.7	125.8	168.5	-171.6	-172.8	-171.4	-143.1	0	109.5	H228 D256 W257	H228-K254 WeakPolarHBondContact O-CG 3.44Å; K254-D256 WeakPolarHBondContact CE-OD2 3.4Å; K254-D256 HydrophobicContact CG-CB 4.49Å; K254-D256 IonicContact NZ-OD2 3.55Å; K254-D256 PolarHBondContact NZ-OD2 2.74Å; K254-W257 WeakPolarHBondContact O-CH2 3.33Å; K254-W257 WeakPolarHBondContact O-CZ3 3.24Å
255	T	94.4	Very high	97.2	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.166	C	C	.	.			trans	-127.6	51.2	-177.6	65.3	0	0	0	0	111.8	F196 H228 D253 W257 L258	F196-T255 HydrophobicContact CD2-CG2 3.59Å; F196-T255 HydrophobicContact CE2-CG2 3.83Å; H228-T255 VanDerWaalsContact CB-O 3.29Å; H228-T255 WeakPolarHBondContact CB-O 3.5Å; H228-T255 VanDerWaalsContact CB-OG1 3.29Å; H228-T255 WeakPolarHBondContact CB-OG1 3.44Å; H228-T255 PolarHBondContact CD2-OG1 2.85Å; H228-T255 PolarHBondContact O-N 3.02Å; D253-T255 PolarHBondContact O-N 3.06Å; T255-W257 HydrophobicContact CG2-CH2 3.93Å; T255-W257 HydrophobicContact CG2-CZ2 3.88Å; T255-W257 PolarHBondContact O-N 2.84Å; T255-L258 WeakPolarHBondContact O-CB 3.48Å; T255-L258 PolarHBondContact O-N 2.76Å; T255-L258 VanDerWaalsContact O-N 3.08Å
256	D	96.1	Very high	97.2	Very high	68 Å²	68	32.7 Å²	32.7	36%	0.364	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-63.3	-22.6	-172.8	54.5	1.2	0	0	0	114.5	K254 L258 D259	K254-D256 WeakPolarHBondContact CE-OD2 3.4Å; K254-D256 HydrophobicContact CG-CB 4.49Å; K254-D256 IonicContact NZ-OD2 3.55Å; K254-D256 PolarHBondContact NZ-OD2 2.74Å; D256-L258 PolarHBondContact O-N 2.96Å; D256-L258 VanDerWaalsContact O-N 3.08Å; D256-D259 VanDerWaalsContact O-CB 3.24Å; D256-D259 WeakPolarHBondContact O-CB 3.35Å; D256-D259 VanDerWaalsContact O-CG 3.31Å; D256-D259 PolarHBondContact O-N 3.28Å
257	W	95.6	Very high	97.2	Very high	133 Å²	133	36.5 Å²	36.5	50%	0.504	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-64.5	-10.5	172.6	62	86.6	0	0	0	114.5	F196 K254 T255 K261	F196-W257 HydrophobicContact CD2-CH2 4.44Å; F196-W257 AromaticContact CD2-CZ2 3.63Å; F196-W257 HydrophobicContact CD2-CZ2 3.63Å; F196-W257 AromaticContact CE2-CE2 3.97Å; F196-W257 AromaticContact CE2-CZ2 3.53Å; F196-W257 HydrophobicContact CE2-CZ2 3.53Å; F196-W257 AromaticContact CE2-NE1 3.83Å; K254-W257 WeakPolarHBondContact O-CH2 3.33Å; K254-W257 WeakPolarHBondContact O-CZ3 3.24Å; T255-W257 HydrophobicContact CG2-CH2 3.93Å; T255-W257 HydrophobicContact CG2-CZ2 3.88Å; T255-W257 PolarHBondContact O-N 2.84Å; W257-K261 PolarHBondContact O-NZ 3.47Å; W257-K261 VanDerWaalsContact O-NZ 3.12Å
258	L	96.1	Very high	97.2	Very high	19 Å²	19	36.5 Å²	36.5	10%	0.099	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-92.3	-7.9	173.3	-58	-175.2	0	0	0	113.1	F196 F249 T255 D256 G260 K261 H262	F196-L258 HydrophobicContact CE2-CD1 3.93Å; F196-L258 HydrophobicContact CZ-CD1 4.2Å; F249-L258 HydrophobicContact CE2-CD1 3.95Å; F249-L258 HydrophobicContact CZ-CD1 3.68Å; T255-L258 WeakPolarHBondContact O-CB 3.48Å; T255-L258 PolarHBondContact O-N 2.76Å; T255-L258 VanDerWaalsContact O-N 3.08Å; D256-L258 PolarHBondContact O-N 2.96Å; D256-L258 VanDerWaalsContact O-N 3.08Å; L258-G260 PolarHBondContact O-N 2.82Å; L258-K261 PolarHBondContact O-N 3.07Å; L258-K261 VanDerWaalsContact O-N 3.1Å; L258-H262 PolarHBondContact O-N 3.47Å
259	D	94.5	Very high	97.2	Very high	50 Å²	50	39.6 Å²	39.6	27%	0.267	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	136.5	177.6	-69.5	-14.8	0	0	0	111	K227 H228 D256 K261	K227-D259 HydrophobicContact CD-CB 4.14Å; H228-D259 IonicContact CE1-OD1 3.65Å; H228-D259 IonicContact CG-OD1 3.26Å; H228-D259 PolarHBondContact N-OD1 2.78Å; H228-D259 IonicContact ND1-OD1 3.89Å; H228-D259 PolarHBondContact ND1-OD1 2.79Å; D256-D259 VanDerWaalsContact O-CB 3.24Å; D256-D259 WeakPolarHBondContact O-CB 3.35Å; D256-D259 VanDerWaalsContact O-CG 3.31Å; D256-D259 PolarHBondContact O-N 3.28Å; D259-K261 PolarHBondContact O-N 2.82Å
260	G	93.8	Very high	97.1	Very high	39 Å²	39	44.7 Å²	44.7	40%	0.402	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.6	2.7	-175.8	0	0	0	0	0	114.8	L258	L258-G260 PolarHBondContact O-N 2.82Å
261	K	96.1	Very high	97	Very high	122 Å²	122	45.2 Å²	45.2	53%	0.53	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.4	-30.9	177.6	-60.7	173.9	-172.5	156.7	0	113.2	N238 W257 L258 D259	N238-K261 PolarHBondContact ND2-O 3.39Å; W257-K261 PolarHBondContact O-NZ 3.47Å; W257-K261 VanDerWaalsContact O-NZ 3.12Å; L258-K261 PolarHBondContact O-N 3.07Å; L258-K261 VanDerWaalsContact O-N 3.1Å; D259-K261 PolarHBondContact O-N 2.82Å
262	H	97.9	Very high	96.9	Very high	32 Å²	32	48.7 Å²	48.7	15%	0.148	25%	0.248	C	C	.	.	S	Bend	trans	-126	131.4	-179.9	-64	-86.6	0	0	0	109.6	S235 M236 N238 F249 L258 V264	S235-H262 WeakPolarHBondContact OG-CB 3.45Å; M236-H262 PolarHBondContact O-ND1 2.74Å; N238-H262 PolarHBondContact OD1-CE1 2.79Å; F249-H262 HydrophobicContact CE1-CB 4.22Å; F249-H262 AromaticContact CE1-ND1 3.95Å; F249-H262 HydrophobicContact CZ-CB 4.2Å; L258-H262 PolarHBondContact O-N 3.47Å; H262-V264 PolarHBondContact O-N 3.45Å
263	V	98.4	Very high	96.9	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.273	C	S	.	.			trans	-75.1	114.4	179	-179.8	0	0	0	0	109	V165 T168 D221 F224 S235 M236	V165-V263 HydrophobicContact CG1-CG1 3.93Å; T168-V263 HydrophobicContact CG2-CG1 4.21Å; D221-V263 HydrophobicContact CB-CG2 3.87Å; F224-V263 HydrophobicContact CD1-CG2 4.34Å; F224-V263 HydrophobicContact CE1-CG2 3.96Å; S235-V263 VanDerWaalsContact CA-O 3.31Å; S235-V263 WeakPolarHBondContact CA-O 3.28Å; S235-V263 PolarHBondContact OG-O 3.47Å; M236-V263 HydrophobicContact CG-CB 4.42Å; M236-V263 PolarHBondContact N-O 3.5Å
264	V	98.7	Very high	97	Very high	6 Å²	6	49.9 Å²	49.9	4%	0.036	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	131.1	168.7	178.6	0	0	0	0	108.1	L226 H228 L233 L234 H262	L226-V264 HydrophobicContact CB-CB 3.66Å; L226-V264 HydrophobicContact CB-CG1 3.78Å; L226-V264 WeakPolarHBondContact CD1-O 3.36Å; H228-V264 WeakPolarHBondContact CE1-CG2 3.5Å; H228-V264 WeakPolarHBondContact NE2-CG2 3.44Å; L233-V264 HydrophobicContact CB-CG1 4.44Å; L234-V264 WeakPolarHBondContact O-CA 3.32Å; H262-V264 PolarHBondContact O-N 3.45Å
265	F	98.6	Very high	97.1	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	4.6	-170.5	68.3	-92.2	0	0	0	115.4	L160 R161 V165 T168 F172 L234 M236 F248	L160-F265 HydrophobicContact CD2-CD2 4.23Å; L160-F265 HydrophobicContact CD2-CE2 4.13Å; R161-F265 PolarHBondContact N-O 2.87Å; V165-F265 HydrophobicContact CG2-CB 3.46Å; V165-F265 VanDerWaalsContact CG2-CB 3.46Å; T168-F265 HydrophobicContact CG2-CB 3.63Å; T168-F265 HydrophobicContact CG2-CD1 3.74Å; T168-F265 HydrophobicContact CG2-CD2 4.34Å; T168-F265 HydrophobicContact CG2-CE1 4.48Å; T168-F265 HydrophobicContact CG2-CG 3.65Å; F172-F265 HydrophobicContact CB-CD2 4.38Å; F172-F265 HydrophobicContact CB-CE2 3.68Å; F172-F265 HydrophobicContact CB-CZ 4.31Å; F172-F265 HydrophobicContact CD1-CE2 4.03Å; F172-F265 AromaticContact CD2-CE2 3.52Å; F172-F265 HydrophobicContact CD2-CE2 3.52Å; F172-F265 AromaticContact CD2-CZ 3.44Å; F172-F265 HydrophobicContact CD2-CZ 3.44Å; F172-F265 VanDerWaalsContact CD2-CZ 3.44Å; F172-F265 HydrophobicContact CE2-CE2 4.08Å; F172-F265 AromaticContact CE2-CZ 3.82Å; F172-F265 HydrophobicContact CE2-CZ 3.82Å; F172-F265 AromaticContact CG-CE2 3.47Å; F172-F265 HydrophobicContact CG-CE2 3.47Å; F172-F265 VanDerWaalsContact CG-CE2 3.47Å; F172-F265 AromaticContact CG-CZ 3.92Å; F172-F265 HydrophobicContact CG-CZ 3.92Å; L234-F265 HydrophobicContact CB-CD1 4.47Å; L234-F265 HydrophobicContact CB-CD2 4.28Å; L234-F265 HydrophobicContact CB-CE1 4.13Å; L234-F265 HydrophobicContact CB-CE2 3.91Å; L234-F265 HydrophobicContact CB-CZ 3.83Å; L234-F265 HydrophobicContact CD1-CE2 3.91Å; L234-F265 HydrophobicContact CD1-CZ 4.37Å; L234-F265 HydrophobicContact CD2-CZ 4.19Å; L234-F265 HydrophobicContact CG-CE2 4.37Å; L234-F265 HydrophobicContact CG-CZ 4.38Å; L234-F265 PolarHBondContact O-N 3.28Å; M236-F265 HydrophobicContact CG-CD1 3.82Å; M236-F265 HydrophobicContact CG-CE1 3.78Å; M236-F265 HydrophobicContact SD-CD1 4.04Å; M236-F265 HydrophobicContact SD-CE1 3.49Å; M236-F265 WeakPolarHBondContact SD-CE1 3.43Å; M236-F265 HydrophobicContact SD-CZ 4.07Å; F248-F265 HydrophobicContact CB-CE1 4.44Å; F248-F265 HydrophobicContact CB-CZ 4.26Å
266	G	98.4	Very high	97.3	Very high	3 Å²	3	49.9 Å²	49.9	3%	0.031	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.1	-177.7	179.1	0	0	0	0	0	113.2	L159 L234	L159-G266 CarbonylContact O-C 3.57Å; L159-G266 WeakPolarHBondContact O-CA 3.45Å; L234-G266 PolarHBondContact N-O 3.49Å
267	E	98.3	Very high	97.4	Very high	82 Å²	82	50.5 Å²	50.5	38%	0.383	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	153.4	179.3	65.7	-168.5	177.7	0	0	111.4	M158 L159 G232 L233	M158-E267 CarbonylContact C-O 3.57Å; M158-E267 WeakPolarHBondContact CA-O 3.36Å; L159-E267 HydrophobicContact CB-CG 4.38Å; L159-E267 PolarHBondContact N-O 2.84Å; L159-E267 PolarHBondContact O-N 3.05Å; G232-E267 CarbonylContact O-C 3.47Å; G232-E267 VanDerWaalsContact O-CA 3.31Å; G232-E267 WeakPolarHBondContact O-CA 3.37Å; L233-E267 HydrophobicContact CD2-CB 3.97Å
268	V	98.3	Very high	97.5	Very high	23 Å²	23	44.1 Å²	44.1	14%	0.139	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	119.9	173	175.6	0	0	0	0	108.5	I156 Q157 M158 G232 L250 E270	I156-V268 HydrophobicContact CG2-CB 4.47Å; I156-V268 HydrophobicContact CG2-CG1 3.86Å; I156-V268 HydrophobicContact CG2-CG2 3.83Å; Q157-V268 CarbonylContact O-C 3.43Å; Q157-V268 WeakPolarHBondContact O-CA 3.47Å; M158-V268 HydrophobicContact CG-CG2 4.06Å; G232-V268 WeakPolarHBondContact O-CG2 3.43Å; G232-V268 PolarHBondContact O-N 2.88Å; L250-V268 HydrophobicContact CD2-CG2 3.56Å; V268-E270 VanDerWaalsContact CG1-O 3.23Å; V268-E270 WeakPolarHBondContact CG1-O 3.25Å
269	T	97.4	Very high	97.6	Very high	64 Å²	64	43.9 Å²	43.9	39%	0.393	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	-35.4	176.1	50.9	0	0	0	0	111.9	Q157 L159	Q157-T269 PolarHBondContact O-N 2.81Å; Q157-T269 PolarHBondContact O-OG1 3.17Å; L159-T269 HydrophobicContact CB-CG2 3.68Å
270	E	97.5	Very high	97.8	Very high	114 Å²	114	44.1 Å²	44.1	53%	0.533	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	154.2	175.4	-58	-172.4	172.3	0	0	111.4	Q157 V268	Q157-E270 HydrophobicContact CB-CB 3.94Å; Q157-E270 HydrophobicContact CB-CG 4.49Å; Q157-E270 VanDerWaalsContact CD-OE2 3.26Å; Q157-E270 HydrophobicContact CG-CB 3.92Å; Q157-E270 HydrophobicContact CG-CG 4.49Å; Q157-E270 PolarHBondContact N-O 3.09Å; Q157-E270 PolarHBondContact NE2-OE2 2.94Å; Q157-E270 PolarHBondContact O-N 2.9Å; V268-E270 VanDerWaalsContact CG1-O 3.23Å; V268-E270 WeakPolarHBondContact CG1-O 3.25Å
271	G	97	Very high	98	Very high	12 Å²	12	43.7 Å²	43.7	12%	0.124	22%	0.223	C	C	.	.			trans	85.2	25.9	178.6	0	0	0	0	0	114.2	R155 D273 V274 L275	R155-G271 WeakPolarHBondContact O-CA 3.18Å; G271-D273 WeakPolarHBondContact CA-OD1 3.45Å; G271-D273 PolarHBondContact O-N 3.19Å; G271-V274 WeakPolarHBondContact O-CB 3.34Å; G271-V274 PolarHBondContact O-N 3.1Å; G271-L275 PolarHBondContact O-N 3.16Å
272	L	97	Very high	98.1	Very high	73 Å²	73	37.9 Å²	37.9	38%	0.382	20%	0.198	S	C	.	.	H	α-helix	trans	-61.2	-32.5	173.8	-167.1	71.4	0	0	0	111.6	V274 L275 R276	L272-V274 VanDerWaalsContact C-N 3.34Å; L272-L275 HydrophobicContact CD1-CD2 4.05Å; L272-L275 WeakPolarHBondContact O-CB 3.12Å; L272-L275 PolarHBondContact O-N 3.3Å; L272-R276 WeakPolarHBondContact O-CG 3.35Å; L272-R276 PolarHBondContact O-N 3.17Å
273	D	97.8	Very high	98.1	Very high	101 Å²	101	37.6 Å²	37.6	54%	0.54	20%	0.2	S	C	.	.	H	α-helix	trans	-62.2	-38.8	171.4	63.1	-58.7	0	0	0	112.2	G271 R276 Q277	G271-D273 WeakPolarHBondContact CA-OD1 3.45Å; G271-D273 PolarHBondContact O-N 3.19Å; D273-R276 WeakPolarHBondContact O-CB 3.32Å; D273-R276 PolarHBondContact O-N 2.91Å; D273-Q277 WeakPolarHBondContact O-CG 3.36Å; D273-Q277 PolarHBondContact O-N 3.47Å
274	V	98.4	Very high	97.9	Very high	5 Å²	5	47.4 Å²	47.4	3%	0.03	24%	0.243	C	C	.	.	H	α-helix	trans	-65.1	-41.5	172.9	-175.6	0	0	0	0	110.2	I146 A153 I156 G271 L272 R276 Q277 I278	I146-V274 HydrophobicContact CB-CG1 3.97Å; I146-V274 HydrophobicContact CG1-CG1 4.01Å; I146-V274 HydrophobicContact CG2-CG1 4.44Å; A153-V274 HydrophobicContact CB-CG1 4.29Å; I156-V274 HydrophobicContact CD1-CB 4.45Å; I156-V274 HydrophobicContact CD1-CG1 4.23Å; I156-V274 HydrophobicContact CG1-CB 3.9Å; I156-V274 HydrophobicContact CG1-CG1 3.89Å; G271-V274 WeakPolarHBondContact O-CB 3.34Å; G271-V274 PolarHBondContact O-N 3.1Å; L272-V274 VanDerWaalsContact C-N 3.34Å; V274-R276 VanDerWaalsContact C-N 3.31Å; V274-R276 PolarHBondContact O-N 2.81Å; V274-Q277 WeakPolarHBondContact O-CB 3.25Å; V274-Q277 PolarHBondContact O-N 3.48Å; V274-Q277 VanDerWaalsContact O-N 3.1Å; V274-I278 WeakPolarHBondContact O-CG1 3.39Å; V274-I278 PolarHBondContact O-N 3.07Å
275	L	98.3	Very high	97.8	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-59.8	-39.9	172.9	178.4	58.8	0	0	0	111.9	I156 C198 L250 G271 L272 Q277 I278 E279	I156-L275 HydrophobicContact CD1-CB 4.25Å; C198-L275 HydrophobicContact CB-CD1 4.11Å; L250-L275 HydrophobicContact CB-CD1 3.68Å; L250-L275 HydrophobicContact CB-CD2 3.97Å; L250-L275 HydrophobicContact CD1-CD1 3.84Å; L250-L275 HydrophobicContact CG-CD1 4.39Å; G271-L275 PolarHBondContact O-N 3.16Å; L272-L275 HydrophobicContact CD1-CD2 4.05Å; L272-L275 WeakPolarHBondContact O-CB 3.12Å; L272-L275 PolarHBondContact O-N 3.3Å; L275-Q277 VanDerWaalsContact C-N 3.32Å; L275-Q277 PolarHBondContact O-N 2.96Å; L275-I278 WeakPolarHBondContact O-CB 3.03Å; L275-I278 PolarHBondContact O-N 3.06Å; L275-E279 PolarHBondContact O-N 3.01Å
276	R	98.3	Very high	97.6	Very high	100 Å²	100	53 Å²	53	38%	0.377	27%	0.273	S	S	.	.	H	α-helix	trans	-64.2	-35.4	173.7	-64.8	-57.4	-178.2	-174.8	-2.8	112.5	C252 L272 D273 V274 I278 E279 A280	C252-R276 PolarHBondContact O-NH1 3.28Å; C252-R276 PolarHBondContact O-NH2 2.87Å; L272-R276 WeakPolarHBondContact O-CG 3.35Å; L272-R276 PolarHBondContact O-N 3.17Å; D273-R276 WeakPolarHBondContact O-CB 3.32Å; D273-R276 PolarHBondContact O-N 2.91Å; V274-R276 VanDerWaalsContact C-N 3.31Å; V274-R276 PolarHBondContact O-N 2.81Å; R276-I278 VanDerWaalsContact C-N 3.34Å; R276-E279 WeakPolarHBondContact CD-OE2 3.44Å; R276-E279 IonicContact CZ-OE2 3.7Å; R276-E279 IonicContact NE-OE2 3.87Å; R276-E279 IonicContact NH1-OE1 3.7Å; R276-E279 IonicContact NH1-OE2 3.86Å; R276-E279 PolarHBondContact NH1-OE2 3.34Å; R276-E279 PolarHBondContact O-N 3Å; R276-A280 PolarHBondContact O-N 3.06Å
277	Q	98.4	Very high	97.6	Very high	81 Å²	81	60 Å²	60	38%	0.379	30%	0.303	S	S	.	.	H	α-helix	trans	-65.6	-37.3	173.2	-68.1	179.2	63.4	0	0	112.2	I148 A153 D273 V274 L275	I148-Q277 HydrophobicContact CD1-CB 3.83Å; A153-Q277 PolarHBondContact O-NE2 3.08Å; D273-Q277 WeakPolarHBondContact O-CG 3.36Å; D273-Q277 PolarHBondContact O-N 3.47Å; V274-Q277 WeakPolarHBondContact O-CB 3.25Å; V274-Q277 PolarHBondContact O-N 3.48Å; V274-Q277 VanDerWaalsContact O-N 3.1Å; L275-Q277 VanDerWaalsContact C-N 3.32Å; L275-Q277 PolarHBondContact O-N 2.96Å
278	I	98.5	Very high	97.5	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-63.1	-50.5	172	-61.4	172.5	0	0	0	109.8	I146 I156 F189 I192 C198 V274 L275 R276 A280 Q281 V292	I146-I278 HydrophobicContact CD1-CD1 4.2Å; I146-I278 HydrophobicContact CG1-CD1 4.07Å; I146-I278 HydrophobicContact CG2-CD1 3.92Å; I146-I278 HydrophobicContact CG2-CG1 3.94Å; I156-I278 HydrophobicContact CD1-CD1 3.72Å; F189-I278 HydrophobicContact CB-CG2 4.49Å; F189-I278 HydrophobicContact CD2-CD1 4.42Å; F189-I278 HydrophobicContact CE2-CD1 4.13Å; F189-I278 HydrophobicContact CG-CG2 4.33Å; F189-I278 HydrophobicContact CZ-CD1 4.34Å; I192-I278 HydrophobicContact CD1-CG2 3.71Å; I192-I278 HydrophobicContact CG1-CG2 4.31Å; C198-I278 HydrophobicContact CB-CG2 4Å; V274-I278 WeakPolarHBondContact O-CG1 3.39Å; V274-I278 PolarHBondContact O-N 3.07Å; L275-I278 WeakPolarHBondContact O-CB 3.03Å; L275-I278 PolarHBondContact O-N 3.06Å; R276-I278 VanDerWaalsContact C-N 3.34Å; I278-A280 PolarHBondContact O-N 3.01Å; I278-Q281 VanDerWaalsContact O-CB 3.3Å; I278-Q281 WeakPolarHBondContact O-CB 3.43Å; I278-Q281 PolarHBondContact O-N 3.45Å; I278-V292 HydrophobicContact CB-CG1 4.47Å; I278-V292 HydrophobicContact CD1-CG1 4.31Å; I278-V292 HydrophobicContact CG1-CG1 3.9Å; I278-V292 HydrophobicContact CG2-CG1 4Å; I278-V292 HydrophobicContact CG2-CG2 4.49Å
279	E	98.5	Very high	97.5	Very high	13 Å²	13	63.4 Å²	63.4	6%	0.061	32%	0.317	C	S	.	.	H	α-helix	trans	-54.7	-40.1	179.7	-174.2	-170.9	-179.3	0	0	112	P194 Q195 C252 L275 R276 Q281 G282	P194-E279 HydrophobicContact CB-CG 4.3Å; Q195-E279 PolarHBondContact N-OE1 3.35Å; Q195-E279 PolarHBondContact NE2-OE1 2.89Å; C252-E279 HydrophobicContact CB-CG 4.1Å; L275-E279 PolarHBondContact O-N 3.01Å; R276-E279 WeakPolarHBondContact CD-OE2 3.44Å; R276-E279 IonicContact CZ-OE2 3.7Å; R276-E279 IonicContact NE-OE2 3.87Å; R276-E279 IonicContact NH1-OE1 3.7Å; R276-E279 IonicContact NH1-OE2 3.86Å; R276-E279 PolarHBondContact NH1-OE2 3.34Å; R276-E279 PolarHBondContact O-N 3Å; E279-Q281 PolarHBondContact O-N 2.96Å; E279-Q281 VanDerWaalsContact O-N 3.12Å; E279-G282 WeakPolarHBondContact O-CA 3.33Å; E279-G282 PolarHBondContact O-N 3.16Å
280	A	98.3	Very high	97.5	Very high	55 Å²	55	65 Å²	65	46%	0.455	32%	0.32	S	S	.	.	H	α-helix	trans	-60.8	-22.4	178	0	0	0	0	0	113.7	R276 I278 G282 K289	R276-A280 PolarHBondContact O-N 3.06Å; I278-A280 PolarHBondContact O-N 3.01Å; A280-G282 PolarHBondContact O-N 2.86Å; A280-K289 PolarHBondContact O-NZ 3.45Å
281	Q	98.4	Very high	97.5	Very high	30 Å²	30	66.6 Å²	66.6	14%	0.14	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-5	173.4	-51.9	-49.2	-46.6	0	0	113.2	I148 I192 I278 E279 P288 K289 V292	I148-Q281 HydrophobicContact CD1-CG 4.36Å; I148-Q281 HydrophobicContact CG2-CG 3.75Å; I192-Q281 HydrophobicContact CD1-CB 4.38Å; I278-Q281 VanDerWaalsContact O-CB 3.3Å; I278-Q281 WeakPolarHBondContact O-CB 3.43Å; I278-Q281 PolarHBondContact O-N 3.45Å; E279-Q281 PolarHBondContact O-N 2.96Å; E279-Q281 VanDerWaalsContact O-N 3.12Å; Q281-P288 CarbonylContact O-C 3.54Å; Q281-P288 WeakPolarHBondContact O-CA 3.27Å; Q281-K289 WeakPolarHBondContact O-CG 3.14Å; Q281-K289 PolarHBondContact O-N 3.43Å; Q281-V292 HydrophobicContact CB-CG2 4.06Å; Q281-V292 HydrophobicContact CG-CG2 3.98Å
282	G	97.7	Very high	97.6	Very high	1 Å²	1	66.1 Å²	66.1	1%	0.01	32%	0.32	C	S	.	.			trans	-73.8	167.3	-179.7	0	0	0	0	0	115	I192 E279 A280 K289	I192-G282 VanDerWaalsContact CG2-CA 3.48Å; I192-G282 WeakPolarHBondContact O-CA 3.49Å; E279-G282 WeakPolarHBondContact O-CA 3.33Å; E279-G282 PolarHBondContact O-N 3.16Å; A280-G282 PolarHBondContact O-N 2.86Å; G282-K289 WeakPolarHBondContact O-CE 3.28Å; G282-K289 PolarHBondContact O-NZ 2.96Å
283	S	97.3	Very high	97.7	Very high	26 Å²	26	63.4 Å²	63.4	18%	0.182	31%	0.306	C	S	.	.			trans	-141.1	168.1	176.4	59.8	0	0	0	0	109.7	I192 P194 D285 G286 K287	I192-S283 PolarHBondContact O-N 2.98Å; I192-S283 VanDerWaalsContact O-N 3.13Å; P194-S283 WeakPolarHBondContact CD-O 3.29Å; S283-D285 VanDerWaalsContact C-N 3.32Å; S283-D285 VanDerWaalsContact CB-OD1 3.29Å; S283-D285 WeakPolarHBondContact CB-OD1 3.37Å; S283-D285 PolarHBondContact O-N 3.14Å; S283-D285 PolarHBondContact OG-OD1 3.02Å; S283-G286 PolarHBondContact O-N 3.18Å; S283-G286 VanDerWaalsContact O-N 3.11Å; S283-G286 PolarHBondContact OG-N 3.26Å; S283-K287 WeakPolarHBondContact CB-O 3.11Å; S283-K287 PolarHBondContact OG-N 3.21Å; S283-K287 PolarHBondContact OG-O 3.29Å
284	K	95.4	Very high	97.7	Very high	206 Å²	206	58.6 Å²	58.6	90%	0.896	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-33.4	-178.7	-72.4	-170.9	176.5	-174.8	0	113
285	D	95.3	Very high	97.7	Very high	121 Å²	121	60.6 Å²	60.6	65%	0.647	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-4.4	175	61.1	-41.7	0	0	0	112.6	S283 K287	S283-D285 VanDerWaalsContact C-N 3.32Å; S283-D285 VanDerWaalsContact CB-OD1 3.29Å; S283-D285 WeakPolarHBondContact CB-OD1 3.37Å; S283-D285 PolarHBondContact O-N 3.14Å; S283-D285 PolarHBondContact OG-OD1 3.02Å; D285-K287 VanDerWaalsContact C-N 3.33Å
286	G	96.3	Very high	97.7	Very high	2 Å²	2	63.1 Å²	63.1	2%	0.021	31%	0.31	C	S	.	.			trans	86.8	-5.9	177.3	0	0	0	0	0	114.4	R191 I192 S283 P288	R191-G286 CarbonylContact C-O 3.46Å; R191-G286 VanDerWaalsContact CA-O 3.23Å; R191-G286 WeakPolarHBondContact CA-O 3.27Å; I192-G286 PolarHBondContact N-O 2.82Å; I192-G286 WeakPolarHBondContact O-CA 3.45Å; S283-G286 PolarHBondContact O-N 3.18Å; S283-G286 VanDerWaalsContact O-N 3.11Å; S283-G286 PolarHBondContact OG-N 3.26Å; G286-P288 WeakPolarHBondContact O-CD 3.39Å
287	K	96.8	Very high	97.7	Very high	151 Å²	151	58.8 Å²	58.8	66%	0.657	30%	0.295	S	S	*	.			trans	-70.6	122.1	178.2	-173.5	178.3	178.8	178.6	0	111.5	S283 D285	S283-K287 WeakPolarHBondContact CB-O 3.11Å; S283-K287 PolarHBondContact OG-N 3.21Å; S283-K287 PolarHBondContact OG-O 3.29Å; D285-K287 VanDerWaalsContact C-N 3.33Å
288	P	97.6	Very high	97.7	Very high	29 Å²	29	55.2 Å²	55.2	19%	0.188	28%	0.28	C	S	.	.			trans	-62.8	137	177.6	-23.5	34.3	0	0	0	112.8	F189 H190 I192 Q281 G286 Q290	F189-P288 WeakPolarHBondContact O-CG 3.49Å; H190-P288 WeakPolarHBondContact O-CD 3.29Å; I192-P288 HydrophobicContact CD1-CB 4.04Å; I192-P288 HydrophobicContact CD1-CG 3.92Å; I192-P288 HydrophobicContact CG1-CG 4.15Å; Q281-P288 CarbonylContact O-C 3.54Å; Q281-P288 WeakPolarHBondContact O-CA 3.27Å; G286-P288 WeakPolarHBondContact O-CD 3.39Å; P288-Q290 VanDerWaalsContact CB-O 3.29Å; P288-Q290 WeakPolarHBondContact CB-O 3.21Å
289	K	97.7	Very high	97.6	Very high	146 Å²	146	57.9 Å²	57.9	64%	0.635	29%	0.293	S	S	*	.	S	Bend	trans	-65	-40.9	173.2	-66.4	172.2	-171.3	155.7	0	111.8	A280 Q281 G282	A280-K289 PolarHBondContact O-NZ 3.45Å; Q281-K289 WeakPolarHBondContact O-CG 3.14Å; Q281-K289 PolarHBondContact O-N 3.43Å; G282-K289 WeakPolarHBondContact O-CE 3.28Å; G282-K289 PolarHBondContact O-NZ 2.96Å
290	Q	97.8	Very high	97.2	Very high	99 Å²	99	61 Å²	61	46%	0.463	30%	0.304	S	S	.	.	S	Bend	trans	-126.9	154	174.5	-61.3	-168	-89.1	0	0	109.5	I148 P288 V292	I148-Q290 HydrophobicContact CG2-CB 4.2Å; P288-Q290 VanDerWaalsContact CB-O 3.29Å; P288-Q290 WeakPolarHBondContact CB-O 3.21Å; Q290-V292 PolarHBondContact O-N 3.02Å
291	K	97.4	Very high	96	Very high	147 Å²	147	68.1 Å²	68.1	64%	0.639	34%	0.342	S	S	*	.			trans	-65.8	119.9	176.9	-165.8	177.1	177.6	169.7	0	109.4	G149 I293	G149-K291 PolarHBondContact N-O 3.45Å; K291-I293 HydrophobicContact CD-CD1 3.99Å; K291-I293 HydrophobicContact CD-CG1 4.09Å; K291-I293 HydrophobicContact CG-CD1 3.8Å; K291-I293 HydrophobicContact CG-CG1 3.8Å
292	V	98.5	Very high	95.9	Very high	1 Å²	1	70 Å²	70	1%	0.006	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	120.6	175.4	-177.1	0	0	0	0	108.5	I146 K147 I148 S188 F189 I192 I278 Q281 Q290	I146-V292 HydrophobicContact CG2-CG1 3.85Å; K147-V292 CarbonylContact O-C 3.47Å; K147-V292 WeakPolarHBondContact O-CA 3.31Å; I148-V292 HydrophobicContact CG1-CG1 4.28Å; I148-V292 HydrophobicContact CG1-CG2 4.22Å; S188-V292 WeakPolarHBondContact CA-O 3.37Å; S188-V292 VanDerWaalsContact CB-O 3.27Å; S188-V292 WeakPolarHBondContact CB-O 3.36Å; F189-V292 HydrophobicContact CB-CB 4.13Å; F189-V292 HydrophobicContact CB-CG1 4.18Å; F189-V292 HydrophobicContact CD2-CG1 3.82Å; F189-V292 HydrophobicContact CG-CG1 4.33Å; F189-V292 PolarHBondContact N-O 3.11Å; I192-V292 HydrophobicContact CD1-CB 4.32Å; I192-V292 HydrophobicContact CD1-CG2 3.82Å; I278-V292 HydrophobicContact CB-CG1 4.47Å; I278-V292 HydrophobicContact CD1-CG1 4.31Å; I278-V292 HydrophobicContact CG1-CG1 3.9Å; I278-V292 HydrophobicContact CG2-CG1 4Å; I278-V292 HydrophobicContact CG2-CG2 4.49Å; Q281-V292 HydrophobicContact CB-CG2 4.06Å; Q281-V292 HydrophobicContact CG-CG2 3.98Å; Q290-V292 PolarHBondContact O-N 3.02Å
293	I	98.4	Very high	95.8	Very high	17 Å²	17	73.6 Å²	73.6	9%	0.087	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	139.6	-170.6	-61.6	-67.3	0	0	0	110.9	I146 K147 S187 K291 A295	I146-I293 WeakPolarHBondContact CA-O 3.41Å; K147-I293 PolarHBondContact N-O 3.23Å; K147-I293 PolarHBondContact O-N 3.35Å; S187-I293 WeakPolarHBondContact O-CA 3.33Å; K291-I293 HydrophobicContact CD-CD1 3.99Å; K291-I293 HydrophobicContact CD-CG1 4.09Å; K291-I293 HydrophobicContact CG-CD1 3.8Å; K291-I293 HydrophobicContact CG-CG1 3.8Å; I293-A295 PolarHBondContact O-N 3.14Å
294	I	98.7	Very high	95.7	Very high	0 Å²	0	76.3 Å²	76.3	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	95.5	165.1	-58.4	170.4	0	0	0	106.1	M144 D145 I146 F184 G186 S187 F189 F248 C297	M144-I294 HydrophobicContact CB-CG2 4.21Å; M144-I294 HydrophobicContact CE-CD1 4.05Å; M144-I294 HydrophobicContact CG-CG2 4.01Å; M144-I294 HydrophobicContact SD-CD1 3.65Å; M144-I294 HydrophobicContact SD-CG1 4.1Å; M144-I294 HydrophobicContact SD-CG2 4.43Å; D145-I294 CarbonylContact O-C 3.6Å; I146-I294 HydrophobicContact CD1-CG1 4.25Å; F184-I294 HydrophobicContact CB-CD1 3.98Å; F184-I294 HydrophobicContact CB-CG2 4.45Å; G186-I294 WeakPolarHBondContact CA-O 3.39Å; G186-I294 PolarHBondContact N-O 3.5Å; S187-I294 PolarHBondContact O-N 3.26Å; F189-I294 HydrophobicContact CD2-CG1 4.38Å; F189-I294 HydrophobicContact CE2-CD1 4.15Å; F189-I294 HydrophobicContact CE2-CG1 3.84Å; F248-I294 HydrophobicContact CZ-CD1 4.32Å; I294-C297 HydrophobicContact CG2-CB 3.93Å
295	A	98.2	Very high	95.7	Very high	47 Å²	47	68.6 Å²	68.6	39%	0.388	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	-40.4	-176.5	0	0	0	0	0	111.4	D145 K147 I293	D145-A295 PolarHBondContact O-N 3.07Å; K147-A295 HydrophobicContact CB-CB 4.21Å; I293-A295 PolarHBondContact O-N 3.14Å
296	D	98.4	Very high	95.8	Very high	53 Å²	53	65.4 Å²	65.4	28%	0.283	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	160.2	170.8	-144.3	-11.5	0	0	0	110.7	M144 D145 K185	M144-D296 CarbonylContact C-O 3.5Å; M144-D296 WeakPolarHBondContact CA-O 3.44Å; D145-D296 HydrophobicContact CB-CB 4.13Å; D145-D296 PolarHBondContact N-O 2.59Å; D145-D296 PolarHBondContact O-N 2.96Å; K185-D296 WeakPolarHBondContact CD-OD1 3.35Å; K185-D296 WeakPolarHBondContact CE-OD1 3.36Å; K185-D296 IonicContact NZ-OD1 2.85Å; K185-D296 PolarHBondContact NZ-OD1 3.22Å; K185-D296 IonicContact NZ-OD2 2.76Å; K185-D296 PolarHBondContact NZ-OD2 2.92Å; K185-D296 VanDerWaalsContact NZ-OD2 3.1Å
297	C	98.3	Very high	95.7	Very high	10 Å²	10	69.6 Å²	69.6	7%	0.068	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	157.7	175.7	56.8	0	0	0	0	110.7	Y143 M144 C176 K185 I294	Y143-C297 WeakPolarHBondContact O-CA 3.4Å; Y143-C297 VanDerWaalsContact O-CB 3.25Å; Y143-C297 WeakPolarHBondContact O-CB 3.4Å; M144-C297 HydrophobicContact CG-CB 3.99Å; C176-C297 HydrophobicContact CB-CB 4.47Å; C176-C297 CarbonylContact O-C 3.59Å; C176-C297 VanDerWaalsContact O-O 3.11Å; C176-C297 PolarHBondContact O-SG 3.19Å; K185-C297 PolarHBondContact N-SG 3.32Å; K185-C297 VanDerWaalsContact N-SG 3.43Å; I294-C297 HydrophobicContact CG2-CB 3.93Å
298	G	97.9	Very high	95.7	Very high	6 Å²	6	63.8 Å²	63.8	6%	0.062	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179	-168.1	-180	0	0	0	0	0	112.7	V142 Y143	V142-G298 CarbonylContact C-O 3.55Å; V142-G298 VanDerWaalsContact CA-O 3.24Å; V142-G298 WeakPolarHBondContact CA-O 3.28Å; V142-G298 VanDerWaalsContact CB-O 3.29Å; V142-G298 WeakPolarHBondContact CB-O 3.34Å; Y143-G298 WeakPolarHBondContact CD1-O 2.92Å; Y143-G298 PolarHBondContact N-O 2.97Å; Y143-G298 PolarHBondContact O-N 3.44Å; Y143-G298 VanDerWaalsContact O-N 3.16Å
299	E	97.2	Very high	95.5	Very high	56 Å²	56	66.5 Å²	66.5	26%	0.262	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	146.7	178	-177.4	172.3	-168.7	0	0	110	Q141 V142 R173 T177	Q141-E299 WeakPolarHBondContact O-CA 3.27Å; Q141-E299 WeakPolarHBondContact O-CG 3.22Å; V142-E299 HydrophobicContact CG1-CB 4.27Å; V142-E299 HydrophobicContact CG1-CG 4.4Å; R173-E299 WeakPolarHBondContact CD-OE1 3.41Å; R173-E299 VanDerWaalsContact CD-OE2 3.27Å; R173-E299 WeakPolarHBondContact CD-OE2 3.41Å; R173-E299 WeakPolarHBondContact CG-OE2 3.28Å; R173-E299 IonicContact CZ-OE2 2.84Å; R173-E299 IonicContact NE-OE2 2.59Å; R173-E299 IonicContact NH1-OE2 3.47Å; R173-E299 PolarHBondContact NH1-OE2 3.36Å; T177-E299 HydrophobicContact CG2-CB 3.62Å
300	Y	89	Confident	95.3	Very high	78 Å²	78	59.8 Å²	59.8	31%	0.306	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	121.2	168	-71	-67.9	0	0	0	109	Q141 Y143 R155 Q157	Q141-Y300 HydrophobicContact CB-CD2 4.22Å; Q141-Y300 PolarHBondContact O-N 3.12Å; Y143-Y300 HydrophobicContact CD1-CD1 4.45Å; Y143-Y300 HydrophobicContact CD1-CD2 4.19Å; Y143-Y300 HydrophobicContact CD1-CE1 4.15Å; Y143-Y300 AromaticContact CD1-CE2 3.92Å; Y143-Y300 HydrophobicContact CD1-CE2 3.92Å; Y143-Y300 HydrophobicContact CD1-CG 4.48Å; Y143-Y300 AromaticContact CD1-CZ 3.9Å; Y143-Y300 HydrophobicContact CG-CE2 4.19Å; R155-Y300 WeakPolarHBondContact CD-OH 3.4Å; R155-Y300 PolarHBondContact NH1-OH 3.03Å; Q157-Y300 HydrophobicContact CB-CE2 4.31Å; Q157-Y300 VanDerWaalsContact CD-CE2 3.47Å; Q157-Y300 HydrophobicContact CG-CE2 3.78Å; Q157-Y300 PolarHBondContact NE2-OH 2.78Å; Q157-Y300 VanDerWaalsContact NE2-OH 3.15Å
301	V	74.1	Confident	95.1	Very high	204 Å²	204	56.3 Å²	56.3	100%	1.236	30%	0.303	S	S	*	.			trans	-109.9	0	-178.6	-141.8	0	0	0	0	110.4

Retrieved 301 of 301 residues in 1203.3 ms (Link to these results)

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