A0A087XRV1_POEFO Loading...

receptor protein-tyrosine kinase

Receptor tyrosine kinase which binds promiscuously transmembrane ephrin-B family ligands residing on adjacent cells, leading to contact-dependent bidirectional signaling into neighboring cells. The signaling pathway downstream of the receptor is referred to as forward signaling while the signaling pathway downstream of the ephrin ligand is referred to as reverse signaling. Together with its cognate ligand/functional ligand EFNB2 is involved in the regulation of cell adhesion and cell migration, and plays a central role in heart morphogenesis, angiogenesis and blood vessel remodeling and permeability. EPHB4-mediated forward signaling controls cellular repulsion and segregation from EFNB2-expressing cells. Involved in somitogenesis.

AlphaFold DB , UniProt , Accession A0A087XRV1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 738 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	A	80.8	Confident	87.5	Confident	103 Å²	103	62.1 Å²	62.1	85%	0.851	39%	0.387	S	S	*	.				0	166	0	0	0	0	0	0	109.3	E28 A29	A1-E28 HydrophobicContact CB-CB 4.05Å; A1-A29 HydrophobicContact CB-CB 3.87Å
2	C	87.5	Confident	86.9	Confident	9 Å²	9	60.8 Å²	60.8	6%	0.061	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-78.4	132.7	164	-66.4	0	0	0	0	109.4	K8 C16 E28 A29	C2-K8 VanDerWaalsContact SG-CB 3.57Å; C2-C16 WeakPolarHBondContact CA-SG 3.44Å; C2-C16 HydrophobicContact CB-CB 3.72Å; C2-C16 WeakPolarHBondContact CB-SG 3.3Å; C2-C16 WeakPolarHBondContact SG-CB 3.48Å; C2-C16 CovalentContact SG-SG 2.04Å; C2-C16 PolarHBondContact SG-SG 3.48Å; C2-E28 CarbonylContact O-C 3.57Å; C2-E28 VanDerWaalsContact O-CA 3.28Å; C2-E28 WeakPolarHBondContact O-CA 3.39Å; C2-A29 PolarHBondContact O-N 3.07Å
3	P	90.4	Very high	86.5	Confident	68 Å²	68	67 Å²	67	44%	0.442	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-71.5	163.2	178.9	29.6	-36.4	0	0	0	112.4	T6	P3-T6 VanDerWaalsContact CD-OG1 3.24Å; P3-T6 WeakPolarHBondContact CD-OG1 3.39Å; P3-T6 HydrophobicContact CG-CG2 4.31Å; P3-T6 PolarHBondContact O-N 2.76Å; P3-T6 VanDerWaalsContact O-N 3.09Å; P3-T6 PolarHBondContact O-OG1 3.47Å
4	P	91.1	Very high	86.1	Confident	75 Å²	75	66.5 Å²	66.5	49%	0.487	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	148.5	174.3	-24.8	36	0	0	0	112.3	T6 E28	P4-T6 PolarHBondContact O-N 3.3Å; P4-E28 HydrophobicContact CG-CG 4.48Å
5	G	89.3	Confident	86.2	Confident	28 Å²	28	72.4 Å²	72.4	29%	0.289	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.3	-10.3	-169.5	0	0	0	0	0	115.1	C19 S25	G5-C19 WeakPolarHBondContact O-CB 3.43Å; G5-C19 PolarHBondContact O-N 3.48Å; G5-C19 PolarHBondContact O-SG 2.97Å; G5-S25 PolarHBondContact N-O 3.38Å
6	T	92.6	Very high	86.5	Confident	10 Å²	10	70.9 Å²	70.9	6%	0.061	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	163.4	175	72.2	0	0	0	0	112.1	P3 P4 L17	P3-T6 VanDerWaalsContact CD-OG1 3.24Å; P3-T6 WeakPolarHBondContact CD-OG1 3.39Å; P3-T6 HydrophobicContact CG-CG2 4.31Å; P3-T6 PolarHBondContact O-N 2.76Å; P3-T6 VanDerWaalsContact O-N 3.09Å; P3-T6 PolarHBondContact O-OG1 3.47Å; P4-T6 PolarHBondContact O-N 3.3Å; T6-L17 CarbonylContact C-O 3.29Å; T6-L17 WeakPolarHBondContact CA-O 3.46Å; T6-L17 WeakPolarHBondContact CB-O 3.38Å
7	F	92.1	Very high	86.8	Confident	1 Å²	1	71.8 Å²	71.8	0%	0.004	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	174.2	177.8	79.1	-67.4	0	0	0	111.8	L17 Q18 P20 A30 C33 P47 D48	F7-L17 HydrophobicContact CD1-CB 4.14Å; F7-L17 WeakPolarHBondContact CD1-O 3.38Å; F7-L17 HydrophobicContact CE1-CB 3.56Å; F7-L17 HydrophobicContact CE1-CD1 4.47Å; F7-L17 HydrophobicContact CZ-CB 4.04Å; F7-L17 HydrophobicContact CZ-CD1 4.12Å; F7-L17 PolarHBondContact N-O 3.21Å; F7-L17 PolarHBondContact O-N 3.4Å; F7-Q18 WeakPolarHBondContact CE1-O 3.47Å; F7-P20 HydrophobicContact CE1-CG 4.22Å; F7-P20 HydrophobicContact CZ-CG 4.39Å; F7-A30 CarbonylContact C-O 3.6Å; F7-A30 WeakPolarHBondContact CA-O 3.37Å; F7-A30 HydrophobicContact CB-CB 4.48Å; F7-A30 WeakPolarHBondContact CB-O 3.33Å; F7-C33 VanDerWaalsContact CB-SG 3.56Å; F7-C33 WeakPolarHBondContact CD1-SG 3.49Å; F7-P47 HydrophobicContact CE2-CB 4.22Å; F7-D48 HydrophobicContact CE2-CB 4.43Å; F7-D48 HydrophobicContact CZ-CB 3.79Å
8	K	90.5	Very high	87.2	Confident	45 Å²	45	76 Å²	76	20%	0.196	46%	0.464	C	S	.	.			trans	-157	109.4	173.8	176.6	169.9	171.2	172.7	0	111.7	C2 T10 G12 S14 A30 T31	C2-K8 VanDerWaalsContact SG-CB 3.57Å; K8-T10 WeakPolarHBondContact CE-O 3.35Å; K8-T10 VanDerWaalsContact CG-O 3.29Å; K8-T10 WeakPolarHBondContact CG-O 3.37Å; K8-T10 PolarHBondContact O-N 3.09Å; K8-G12 PolarHBondContact NZ-O 3.25Å; K8-S14 VanDerWaalsContact CE-OG 3.25Å; K8-S14 WeakPolarHBondContact CE-OG 3.45Å; K8-S14 PolarHBondContact NZ-O 3.38Å; K8-A30 PolarHBondContact N-O 3.41Å; K8-T31 CarbonylContact C-O 3.5Å; K8-T31 WeakPolarHBondContact O-CA 3.47Å
9	S	85.6	Confident	87.5	Confident	53 Å²	53	73.5 Å²	73.5	37%	0.371	45%	0.45	S	S	.	.	S	Bend	trans	-67.7	-29.4	-174.7	49.9	0	0	0	0	114.9	T31	S9-T31 VanDerWaalsContact CA-O 3.27Å; S9-T31 WeakPolarHBondContact CA-O 3.41Å; S9-T31 PolarHBondContact N-O 3.27Å
10	T	83.7	Confident	87.9	Confident	90 Å²	90	70.4 Å²	70.4	55%	0.552	43%	0.431	S	S	*	.	S	Bend	trans	-123.3	140.3	-176.3	53.2	0	0	0	0	112.6	K8	K8-T10 WeakPolarHBondContact CE-O 3.35Å; K8-T10 VanDerWaalsContact CG-O 3.29Å; K8-T10 WeakPolarHBondContact CG-O 3.37Å; K8-T10 PolarHBondContact O-N 3.09Å
11	Q	78.6	Confident	88.2	Confident	201 Å²	201	71.2 Å²	71.2	94%	0.939	44%	0.437	S	S	*	.			trans	-72.7	138.4	172.4	-61.2	-172.2	15.2	0	0	110.1
12	G	81.1	Confident	88.9	Confident	46 Å²	46	68.8 Å²	68.8	47%	0.474	41%	0.41	S	S	.	.	S	Bend	trans	155.4	-168	-174.6	0	0	0	0	0	112.9	K8	K8-G12 PolarHBondContact NZ-O 3.25Å
13	P	80.9	Confident	89.2	Confident	142 Å²	142	68.4 Å²	68.4	92%	0.922	41%	0.407	S	S	*	.	S	Bend	trans	-84.8	-4.3	-177.4	33.9	-36.3	0	0	0	115.1
14	S	81.1	Confident	89.4	Confident	60 Å²	60	72.6 Å²	72.6	42%	0.42	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-60.1	151.6	-176.1	40.2	0	0	0	0	114.2	K8	K8-S14 VanDerWaalsContact CE-OG 3.25Å; K8-S14 WeakPolarHBondContact CE-OG 3.45Å; K8-S14 PolarHBondContact NZ-O 3.38Å
15	L	88.5	Confident	89.5	Confident	155 Å²	155	69.7 Å²	69.7	81%	0.812	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-68.9	157.3	173.8	-63	176.2	0	0	0	111.4
16	C	90	Very high	89.4	Confident	48 Å²	48	74 Å²	74	32%	0.324	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-74.6	134.6	173	-56.7	0	0	0	0	110.2	C2	C2-C16 WeakPolarHBondContact CA-SG 3.44Å; C2-C16 HydrophobicContact CB-CB 3.72Å; C2-C16 WeakPolarHBondContact CB-SG 3.3Å; C2-C16 WeakPolarHBondContact SG-CB 3.48Å; C2-C16 CovalentContact SG-SG 2.04Å; C2-C16 PolarHBondContact SG-SG 3.48Å
17	L	91.4	Very high	89.1	Confident	87 Å²	87	76.1 Å²	76.1	46%	0.455	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	147.4	-180	-62.3	178.2	0	0	0	110.5	T6 F7	T6-L17 CarbonylContact C-O 3.29Å; T6-L17 WeakPolarHBondContact CA-O 3.46Å; T6-L17 WeakPolarHBondContact CB-O 3.38Å; F7-L17 HydrophobicContact CD1-CB 4.14Å; F7-L17 WeakPolarHBondContact CD1-O 3.38Å; F7-L17 HydrophobicContact CE1-CB 3.56Å; F7-L17 HydrophobicContact CE1-CD1 4.47Å; F7-L17 HydrophobicContact CZ-CB 4.04Å; F7-L17 HydrophobicContact CZ-CD1 4.12Å; F7-L17 PolarHBondContact N-O 3.21Å; F7-L17 PolarHBondContact O-N 3.4Å
18	Q	93.9	Very high	88.9	Confident	147 Å²	147	82.5 Å²	82.5	69%	0.687	47%	0.465	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.7	144.2	170.3	-70.9	-64.9	-25.9	0	0	110.2	F7	F7-Q18 WeakPolarHBondContact CE1-O 3.47Å
19	C	94	Very high	88.7	Confident	29 Å²	29	83.3 Å²	83.3	20%	0.196	48%	0.48	C	S	.	.	P	Polyproline II helix	trans	-57.6	130.2	177.3	-78.6	0	0	0	0	112.1	G5 S23 R24 S25 C33	G5-C19 WeakPolarHBondContact O-CB 3.43Å; G5-C19 PolarHBondContact O-N 3.48Å; G5-C19 PolarHBondContact O-SG 2.97Å; C19-S23 WeakPolarHBondContact CB-OG 3.43Å; C19-R24 VanDerWaalsContact SG-C 3.51Å; C19-S25 PolarHBondContact SG-N 3.23Å; C19-C33 WeakPolarHBondContact CA-SG 3.49Å; C19-C33 HydrophobicContact CB-CB 3.72Å; C19-C33 WeakPolarHBondContact CB-SG 3.48Å; C19-C33 WeakPolarHBondContact SG-CB 3.44Å; C19-C33 CovalentContact SG-SG 2.03Å; C19-C33 PolarHBondContact SG-SG 3.48Å
20	P	94.4	Very high	88.9	Confident	11 Å²	11	81.6 Å²	81.6	7%	0.071	47%	0.469	C	S	.	.	P	Polyproline II helix	trans	-58.6	159.6	178.2	-26.9	36.6	0	0	0	113.1	F7 N22 S23 D48 E49	F7-P20 HydrophobicContact CE1-CG 4.22Å; F7-P20 HydrophobicContact CZ-CG 4.39Å; P20-N22 PolarHBondContact O-N 3.13Å; P20-S23 WeakPolarHBondContact CD-OG 3.37Å; P20-S23 WeakPolarHBondContact O-CB 3.27Å; P20-S23 PolarHBondContact O-N 3.27Å; P20-S23 VanDerWaalsContact O-N 3.08Å; P20-S23 PolarHBondContact O-OG 2.97Å; P20-D48 VanDerWaalsContact CG-C 3.49Å; P20-D48 WeakPolarHBondContact CG-O 3.45Å; P20-E49 WeakPolarHBondContact CB-O 3.13Å
21	P	94.8	Very high	89.1	Confident	88 Å²	88	81.7 Å²	81.7	57%	0.571	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.7	142.3	174.5	-28.9	33.8	0	0	0	113.1	S23 P50 C51	P21-S23 PolarHBondContact O-N 3.03Å; P21-S23 VanDerWaalsContact O-N 3.13Å; P21-P50 HydrophobicContact CB-CB 3.86Å; P21-P50 HydrophobicContact CG-CB 4.1Å; P21-C51 PolarHBondContact O-N 3.48Å
22	N	95.1	Very high	89.8	Confident	51 Å²	51	75.9 Å²	75.9	27%	0.273	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.1	17.8	-177	-50.5	-40	0	0	0	116	P20 R36 Y39 C51	P20-N22 PolarHBondContact O-N 3.13Å; N22-R36 WeakPolarHBondContact O-CB 3.35Å; N22-R36 VanDerWaalsContact O-CG 3.31Å; N22-R36 WeakPolarHBondContact O-CG 3.16Å; N22-R36 PolarHBondContact O-N 3.28Å; N22-Y39 HydrophobicContact CB-CD1 3.62Å; N22-Y39 HydrophobicContact CB-CD2 3.95Å; N22-Y39 HydrophobicContact CB-CE1 4.06Å; N22-Y39 HydrophobicContact CB-CE2 4.35Å; N22-Y39 HydrophobicContact CB-CG 3.55Å; N22-Y39 VanDerWaalsContact CG-CE1 3.45Å; N22-Y39 WeakPolarHBondContact ND2-CD1 3.06Å; N22-Y39 WeakPolarHBondContact ND2-CE1 3.1Å; N22-C51 HydrophobicContact CB-CB 4.03Å; N22-C51 WeakPolarHBondContact CB-O 3.5Å; N22-C51 PolarHBondContact ND2-O 3.37Å
23	S	95.1	Very high	90.3	Very high	1 Å²	1	73.7 Å²	73.7	1%	0.007	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	177.3	170.6	78.6	0	0	0	0	112.6	C19 P20 P21 C33 V34 R36	C19-S23 WeakPolarHBondContact CB-OG 3.43Å; P20-S23 WeakPolarHBondContact CD-OG 3.37Å; P20-S23 WeakPolarHBondContact O-CB 3.27Å; P20-S23 PolarHBondContact O-N 3.27Å; P20-S23 VanDerWaalsContact O-N 3.08Å; P20-S23 PolarHBondContact O-OG 2.97Å; P21-S23 PolarHBondContact O-N 3.03Å; P21-S23 VanDerWaalsContact O-N 3.13Å; S23-C33 WeakPolarHBondContact OG-CB 3.23Å; S23-V34 CarbonylContact C-O 3.6Å; S23-V34 VanDerWaalsContact CA-O 3.28Å; S23-V34 WeakPolarHBondContact CA-O 3.42Å; S23-V34 WeakPolarHBondContact CB-O 3.48Å; S23-R36 PolarHBondContact O-NE 3.39Å; S23-R36 PolarHBondContact O-NH2 2.97Å; S23-R36 VanDerWaalsContact O-NH2 3.17Å
24	R	94	Very high	90.9	Very high	157 Å²	157	71.7 Å²	71.7	59%	0.592	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-157.2	157	170.2	61.6	178.7	-179.3	177.6	1.4	111.9	C19 C33 V34	C19-R24 VanDerWaalsContact SG-C 3.51Å; R24-C33 CarbonylContact O-C 3.51Å; R24-C33 WeakPolarHBondContact O-CA 3.08Å; R24-V34 PolarHBondContact N-O 3.38Å; R24-V34 PolarHBondContact O-N 3.06Å
25	S	92.9	Very high	91.6	Very high	13 Å²	13	70.3 Å²	70.3	9%	0.091	40%	0.397	C	S	.	.			trans	-127.7	131.8	164.4	173.3	0	0	0	0	108.6	G5 C19 A27 A30	G5-S25 PolarHBondContact N-O 3.38Å; C19-S25 PolarHBondContact SG-N 3.23Å; S25-A27 PolarHBondContact OG-O 3.05Å; S25-A27 VanDerWaalsContact OG-O 3.13Å; S25-A30 WeakPolarHBondContact OG-CB 3.29Å
26	T	88.3	Confident	91.9	Very high	118 Å²	118	69.5 Å²	69.5	72%	0.724	38%	0.383	S	S	*	.			trans	-113.7	1.1	175.2	54.1	0	0	0	0	112.6
27	A	84.4	Confident	92	Very high	55 Å²	55	74.3 Å²	74.3	46%	0.455	41%	0.405	S	S	.	.	S	Bend	trans	-116.8	148.9	-176.8	0	0	0	0	0	110.5	S25	S25-A27 PolarHBondContact OG-O 3.05Å; S25-A27 VanDerWaalsContact OG-O 3.13Å
28	E	88.5	Confident	91.9	Very high	136 Å²	136	71.6 Å²	71.6	64%	0.636	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	153.7	169.4	-66.7	-161.4	172.9	0	0	111.6	A1 C2 P4 A30	A1-E28 HydrophobicContact CB-CB 4.05Å; C2-E28 CarbonylContact O-C 3.57Å; C2-E28 VanDerWaalsContact O-CA 3.28Å; C2-E28 WeakPolarHBondContact O-CA 3.39Å; P4-E28 HydrophobicContact CG-CG 4.48Å; E28-A30 PolarHBondContact O-N 3.5Å; E28-A30 VanDerWaalsContact O-N 3.14Å
29	A	87.5	Confident	92	Very high	61 Å²	61	68.6 Å²	68.6	50%	0.504	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.5	20.8	179.4	0	0	0	0	0	115.2	A1 C2 T31	A1-A29 HydrophobicContact CB-CB 3.87Å; C2-A29 PolarHBondContact O-N 3.07Å; A29-T31 PolarHBondContact O-N 3.35Å
30	A	89.1	Confident	92	Very high	17 Å²	17	68.9 Å²	68.9	14%	0.14	38%	0.378	C	S	.	.			trans	-55.7	128.1	178.1	0	0	0	0	0	112.4	F7 K8 S25 E28	F7-A30 CarbonylContact C-O 3.6Å; F7-A30 WeakPolarHBondContact CA-O 3.37Å; F7-A30 HydrophobicContact CB-CB 4.48Å; F7-A30 WeakPolarHBondContact CB-O 3.33Å; K8-A30 PolarHBondContact N-O 3.41Å; S25-A30 WeakPolarHBondContact OG-CB 3.29Å; E28-A30 PolarHBondContact O-N 3.5Å; E28-A30 VanDerWaalsContact O-N 3.14Å
31	T	88.5	Confident	92	Very high	93 Å²	93	70 Å²	70	57%	0.571	38%	0.381	S	S	*	.	S	Bend	trans	-83.9	-18.3	176.2	48.6	0	0	0	0	113.2	K8 S9 A29	K8-T31 CarbonylContact C-O 3.5Å; K8-T31 WeakPolarHBondContact O-CA 3.47Å; S9-T31 VanDerWaalsContact CA-O 3.27Å; S9-T31 WeakPolarHBondContact CA-O 3.41Å; S9-T31 PolarHBondContact N-O 3.27Å; A29-T31 PolarHBondContact O-N 3.35Å
32	I	91.5	Very high	91.8	Very high	78 Å²	78	66.2 Å²	66.2	40%	0.4	36%	0.358	S	S	.	.	S	Bend	trans	-149.7	145.1	177.7	-172.5	165.2	0	0	0	109.8	P47	I32-P47 HydrophobicContact CD1-CB 4.1Å; I32-P47 HydrophobicContact CG1-CB 4.12Å
33	C	93.1	Very high	91.5	Very high	0 Å²	0	70 Å²	70	0%	0	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-85.2	125.9	169	-62.2	0	0	0	0	110.4	F7 C19 S23 R24 R41	F7-C33 VanDerWaalsContact CB-SG 3.56Å; F7-C33 WeakPolarHBondContact CD1-SG 3.49Å; C19-C33 WeakPolarHBondContact CA-SG 3.49Å; C19-C33 HydrophobicContact CB-CB 3.72Å; C19-C33 WeakPolarHBondContact CB-SG 3.48Å; C19-C33 WeakPolarHBondContact SG-CB 3.44Å; C19-C33 CovalentContact SG-SG 2.03Å; C19-C33 PolarHBondContact SG-SG 3.48Å; S23-C33 WeakPolarHBondContact OG-CB 3.23Å; R24-C33 CarbonylContact O-C 3.51Å; R24-C33 WeakPolarHBondContact O-CA 3.08Å; C33-R41 PolarHBondContact O-NH1 3.18Å
34	V	93.6	Very high	91.1	Very high	100 Å²	100	72.9 Å²	72.9	61%	0.606	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.3	136.8	178.8	-175.1	0	0	0	0	109.3	S23 R24	S23-V34 CarbonylContact C-O 3.6Å; S23-V34 VanDerWaalsContact CA-O 3.28Å; S23-V34 WeakPolarHBondContact CA-O 3.42Å; S23-V34 WeakPolarHBondContact CB-O 3.48Å; R24-V34 PolarHBondContact N-O 3.38Å; R24-V34 PolarHBondContact O-N 3.06Å
35	C	95.2	Very high	91	Very high	32 Å²	32	66.6 Å²	66.6	22%	0.216	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	152.4	178.2	-59.7	0	0	0	0	112.5	Y39 C51	C35-Y39 WeakPolarHBondContact CB-O 3.35Å; C35-C51 WeakPolarHBondContact CA-SG 3.23Å; C35-C51 HydrophobicContact CB-CB 3.65Å; C35-C51 WeakPolarHBondContact CB-SG 3.41Å; C35-C51 WeakPolarHBondContact SG-CB 3.46Å; C35-C51 CovalentContact SG-SG 2.04Å; C35-C51 PolarHBondContact SG-SG 2.99Å
36	R	94.4	Very high	90.9	Very high	137 Å²	137	70.9 Å²	70.9	52%	0.517	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-78.3	155.3	171.6	-63.9	175.6	-166.6	-162.2	1	109.4	N22 S23 G38 Y39	N22-R36 WeakPolarHBondContact O-CB 3.35Å; N22-R36 VanDerWaalsContact O-CG 3.31Å; N22-R36 WeakPolarHBondContact O-CG 3.16Å; N22-R36 PolarHBondContact O-N 3.28Å; S23-R36 PolarHBondContact O-NE 3.39Å; S23-R36 PolarHBondContact O-NH2 2.97Å; S23-R36 VanDerWaalsContact O-NH2 3.17Å; R36-G38 PolarHBondContact O-N 2.98Å; R36-Y39 HydrophobicContact CB-CD2 4.39Å; R36-Y39 PolarHBondContact O-N 3.4Å; R36-Y39 VanDerWaalsContact O-O 3.13Å
37	N	92.1	Very high	90.9	Very high	150 Å²	150	67 Å²	67	80%	0.802	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	137	-179.8	-167	17.1	0	0	0	111.4	Y39	N37-Y39 VanDerWaalsContact C-N 3.32Å
38	G	89.4	Confident	91.1	Very high	29 Å²	29	68.6 Å²	68.6	30%	0.299	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.7	-5.4	-171.8	0	0	0	0	0	115.6	R36 Y40 S53	R36-G38 PolarHBondContact O-N 2.98Å; G38-Y40 WeakPolarHBondContact O-CE2 3.29Å; G38-S53 WeakPolarHBondContact O-CB 3.3Å
39	Y	95.4	Very high	91.3	Very high	85 Å²	85	66.1 Å²	66.1	33%	0.333	37%	0.37	S	S	.	.			trans	-126	150.5	178.3	-59.5	-93	0	0	0	111.6	N22 C35 R36 N37 T52	N22-Y39 HydrophobicContact CB-CD1 3.62Å; N22-Y39 HydrophobicContact CB-CD2 3.95Å; N22-Y39 HydrophobicContact CB-CE1 4.06Å; N22-Y39 HydrophobicContact CB-CE2 4.35Å; N22-Y39 HydrophobicContact CB-CG 3.55Å; N22-Y39 VanDerWaalsContact CG-CE1 3.45Å; N22-Y39 WeakPolarHBondContact ND2-CD1 3.06Å; N22-Y39 WeakPolarHBondContact ND2-CE1 3.1Å; C35-Y39 WeakPolarHBondContact CB-O 3.35Å; R36-Y39 HydrophobicContact CB-CD2 4.39Å; R36-Y39 PolarHBondContact O-N 3.4Å; R36-Y39 VanDerWaalsContact O-O 3.13Å; N37-Y39 VanDerWaalsContact C-N 3.32Å; Y39-T52 CarbonylContact C-O 3.49Å; Y39-T52 WeakPolarHBondContact CA-O 3.21Å
40	Y	95.4	Very high	91.6	Very high	35 Å²	35	66 Å²	66	14%	0.137	36%	0.364	C	S	.	.	B	Isolated β-bridge	trans	-147.3	176.7	-168.5	-44.4	-83.3	0	0	0	110.9	G38 C51 T52 V54 V144 K147 P149	G38-Y40 WeakPolarHBondContact O-CE2 3.29Å; Y40-C51 CarbonylContact O-C 3.45Å; Y40-C51 WeakPolarHBondContact O-CA 3.46Å; Y40-C51 WeakPolarHBondContact O-CB 3.32Å; Y40-T52 PolarHBondContact N-O 3Å; Y40-T52 PolarHBondContact O-N 2.76Å; Y40-V54 HydrophobicContact CE2-CG1 4.41Å; Y40-V144 HydrophobicContact CD2-CB 4.44Å; Y40-K147 HydrophobicContact CD1-CB 3.75Å; Y40-K147 WeakPolarHBondContact CD1-O 3.41Å; Y40-K147 VanDerWaalsContact CE1-O 3.29Å; Y40-K147 WeakPolarHBondContact CE1-O 3.46Å; Y40-K147 HydrophobicContact CG-CB 3.73Å; Y40-P149 WeakPolarHBondContact OH-CD 3.28Å
41	R	93.4	Very high	91.9	Very high	35 Å²	35	65.1 Å²	65.1	13%	0.132	36%	0.358	C	S	.	.			trans	-125.1	140.1	165	-81	-168.6	-169.7	100.9	-4.1	109.4	C33 D45 Q46 P47 E49	C33-R41 PolarHBondContact O-NH1 3.18Å; R41-D45 WeakPolarHBondContact CA-OD2 3.47Å; R41-D45 HydrophobicContact CB-CB 3.92Å; R41-D45 HydrophobicContact CG-CB 4.06Å; R41-Q46 PolarHBondContact NE-O 2.83Å; R41-P47 PolarHBondContact NH2-O 3.03Å; R41-E49 VanDerWaalsContact CZ-O 3.3Å; R41-E49 PolarHBondContact NE-O 3.34Å; R41-E49 PolarHBondContact NH2-O 3.12Å
42	G	90.9	Very high	92.3	Very high	8 Å²	8	61.3 Å²	61.3	8%	0.082	33%	0.334	C	S	.	.			trans	-72.7	167.8	172.7	0	0	0	0	0	111.4	G44 D45 G143	G42-G44 PolarHBondContact O-N 3.39Å; G42-G44 VanDerWaalsContact O-N 3.15Å; G42-D45 PolarHBondContact N-OD2 3.27Å; G42-D45 PolarHBondContact O-N 3.1Å; G42-D45 VanDerWaalsContact O-N 3.16Å; G42-G143 WeakPolarHBondContact CA-O 3.43Å
43	D	87.9	Confident	92.5	Very high	131 Å²	131	58.8 Å²	58.8	70%	0.701	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-10.8	-175.8	-62.2	-69.9	0	0	0	114.4	K147	D43-K147 IonicContact OD1-NZ 2.76Å; D43-K147 PolarHBondContact OD1-NZ 3.42Å; D43-K147 VanDerWaalsContact OD2-CE 3.27Å; D43-K147 WeakPolarHBondContact OD2-CE 3.32Å; D43-K147 IonicContact OD2-NZ 3.82Å; D43-K147 PolarHBondContact OD2-NZ 2.74Å
44	G	86.8	Confident	92.6	Very high	60 Å²	60	60.8 Å²	60.8	62%	0.619	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.7	-8.5	172.8	0	0	0	0	0	115.1	G42 Q46	G42-G44 PolarHBondContact O-N 3.39Å; G42-G44 VanDerWaalsContact O-N 3.15Å; G44-Q46 PolarHBondContact O-NE2 3.49Å; G44-Q46 VanDerWaalsContact O-NE2 3.07Å
45	D	92.3	Very high	92.7	Very high	26 Å²	26	56.1 Å²	56.1	14%	0.139	31%	0.307	C	S	.	.			trans	-71.8	138.3	-174	-63.9	10.1	0	0	0	110.9	R41 G42 E49 R83	R41-D45 WeakPolarHBondContact CA-OD2 3.47Å; R41-D45 HydrophobicContact CB-CB 3.92Å; R41-D45 HydrophobicContact CG-CB 4.06Å; G42-D45 PolarHBondContact N-OD2 3.27Å; G42-D45 PolarHBondContact O-N 3.1Å; G42-D45 VanDerWaalsContact O-N 3.16Å; D45-E49 VanDerWaalsContact CA-OE2 3.24Å; D45-E49 WeakPolarHBondContact CA-OE2 3.23Å; D45-R83 VanDerWaalsContact CG-NH1 3.28Å; D45-R83 IonicContact OD1-CZ 2.8Å; D45-R83 IonicContact OD1-NH1 3.09Å; D45-R83 PolarHBondContact OD1-NH1 2.98Å; D45-R83 IonicContact OD1-NH2 3.59Å; D45-R83 PolarHBondContact OD1-NH2 3.26Å; D45-R83 IonicContact OD2-CZ 3.99Å; D45-R83 IonicContact OD2-NH1 2.89Å; D45-R83 PolarHBondContact OD2-NH1 3.16Å; D45-R83 IonicContact OD2-NH2 3.75Å
46	Q	91.3	Very high	92.8	Very high	103 Å²	103	55.9 Å²	55.9	48%	0.481	31%	0.306	S	S	.	.			trans	-79.5	155.5	-177.3	-58.8	-56	-65.1	0	0	113	R41 G44 D48 E49	R41-Q46 PolarHBondContact NE-O 2.83Å; G44-Q46 PolarHBondContact O-NE2 3.49Å; G44-Q46 VanDerWaalsContact O-NE2 3.07Å; Q46-D48 WeakPolarHBondContact CB-OD1 3.49Å; Q46-D48 PolarHBondContact O-N 3.42Å; Q46-D48 VanDerWaalsContact O-N 3.14Å; Q46-E49 HydrophobicContact CB-CG 4.08Å; Q46-E49 PolarHBondContact N-OE2 3.36Å; Q46-E49 WeakPolarHBondContact O-CB 3.49Å; Q46-E49 PolarHBondContact O-N 3.26Å
47	P	88.8	Confident	92.8	Very high	36 Å²	36	51.4 Å²	51.4	23%	0.234	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-25	-178.9	-25.7	36.1	0	0	0	115	F7 I32 R41	F7-P47 HydrophobicContact CE2-CB 4.22Å; I32-P47 HydrophobicContact CD1-CB 4.1Å; I32-P47 HydrophobicContact CG1-CB 4.12Å; R41-P47 PolarHBondContact NH2-O 3.03Å
48	D	88.6	Confident	93.1	Very high	89 Å²	89	44.4 Å²	44.4	48%	0.476	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-6.7	177.1	56.2	-48.8	0	0	0	114.4	F7 P20 Q46	F7-D48 HydrophobicContact CE2-CB 4.43Å; F7-D48 HydrophobicContact CZ-CB 3.79Å; P20-D48 VanDerWaalsContact CG-C 3.49Å; P20-D48 WeakPolarHBondContact CG-O 3.45Å; Q46-D48 WeakPolarHBondContact CB-OD1 3.49Å; Q46-D48 PolarHBondContact O-N 3.42Å; Q46-D48 VanDerWaalsContact O-N 3.14Å
49	E	91.8	Very high	93.4	Very high	83 Å²	83	47.1 Å²	47.1	39%	0.388	26%	0.26	S	S	.	.	S	Bend	trans	-76.7	151.4	172.7	-76	176.9	156	0	0	112	P20 R41 D45 Q46	P20-E49 WeakPolarHBondContact CB-O 3.13Å; R41-E49 VanDerWaalsContact CZ-O 3.3Å; R41-E49 PolarHBondContact NE-O 3.34Å; R41-E49 PolarHBondContact NH2-O 3.12Å; D45-E49 VanDerWaalsContact CA-OE2 3.24Å; D45-E49 WeakPolarHBondContact CA-OE2 3.23Å; Q46-E49 HydrophobicContact CB-CG 4.08Å; Q46-E49 PolarHBondContact N-OE2 3.36Å; Q46-E49 WeakPolarHBondContact O-CB 3.49Å; Q46-E49 PolarHBondContact O-N 3.26Å
50	P	93.6	Very high	93.3	Very high	58 Å²	58	48.3 Å²	48.3	38%	0.377	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-65	147.5	178	28.6	-36.5	0	0	0	112	P21 T52	P21-P50 HydrophobicContact CB-CB 3.86Å; P21-P50 HydrophobicContact CG-CB 4.1Å; P50-T52 PolarHBondContact O-N 3.45Å
51	C	95.6	Very high	93.3	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-74.2	130.2	169.1	-58.5	0	0	0	0	109.9	P21 N22 C35 Y40	P21-C51 PolarHBondContact O-N 3.48Å; N22-C51 HydrophobicContact CB-CB 4.03Å; N22-C51 WeakPolarHBondContact CB-O 3.5Å; N22-C51 PolarHBondContact ND2-O 3.37Å; C35-C51 WeakPolarHBondContact CA-SG 3.23Å; C35-C51 HydrophobicContact CB-CB 3.65Å; C35-C51 WeakPolarHBondContact CB-SG 3.41Å; C35-C51 WeakPolarHBondContact SG-CB 3.46Å; C35-C51 CovalentContact SG-SG 2.04Å; C35-C51 PolarHBondContact SG-SG 2.99Å; Y40-C51 CarbonylContact O-C 3.45Å; Y40-C51 WeakPolarHBondContact O-CA 3.46Å; Y40-C51 WeakPolarHBondContact O-CB 3.32Å
52	T	96.6	Very high	93.3	Very high	12 Å²	12	51 Å²	51	7%	0.074	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-106.6	159.6	-177.6	48.1	0	0	0	0	110.6	Y39 Y40 P50 G81 R83 V144	Y39-T52 CarbonylContact C-O 3.49Å; Y39-T52 WeakPolarHBondContact CA-O 3.21Å; Y40-T52 PolarHBondContact N-O 3Å; Y40-T52 PolarHBondContact O-N 2.76Å; P50-T52 PolarHBondContact O-N 3.45Å; T52-G81 WeakPolarHBondContact CB-O 3.27Å; T52-R83 HydrophobicContact CG2-CG 3.84Å; T52-R83 PolarHBondContact OG1-NH1 2.94Å; T52-V144 WeakPolarHBondContact OG1-CG1 3.25Å
53	S	95.5	Very high	93.4	Very high	26 Å²	26	52.7 Å²	52.7	18%	0.182	30%	0.302	C	S	.	.			trans	-105.2	174.7	178.9	75.4	0	0	0	0	111.6	G38 G81 N142 V144	G38-S53 WeakPolarHBondContact O-CB 3.3Å; S53-G81 PolarHBondContact N-O 3.19Å; S53-G81 WeakPolarHBondContact O-CA 3.38Å; S53-G81 WeakPolarHBondContact OG-CA 3.4Å; S53-N142 PolarHBondContact O-ND2 3.37Å; S53-V144 WeakPolarHBondContact O-CG2 3.31Å
54	V	95.6	Very high	93.6	Very high	41 Å²	41	51.3 Å²	51.3	25%	0.248	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-69.2	158.1	168	-59.1	0	0	0	0	111.2	Y40 S148	Y40-V54 HydrophobicContact CE2-CG1 4.41Å; V54-S148 VanDerWaalsContact CG1-CB 3.46Å
55	P	96.8	Very high	93.9	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.013	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-77.3	155.4	174.6	34.1	-34.8	0	0	0	111.4	P77 E79 A140 N142 S145	P55-P77 HydrophobicContact CB-CB 4.38Å; P55-P77 HydrophobicContact CB-CG 4.24Å; P55-E79 WeakPolarHBondContact CA-O 3.41Å; P55-A140 HydrophobicContact CB-CB 4.17Å; P55-A140 HydrophobicContact CG-CB 3.81Å; P55-A140 WeakPolarHBondContact CG-O 3.39Å; P55-N142 HydrophobicContact CG-CB 4.46Å; P55-S145 WeakPolarHBondContact CD-OG 3.34Å
56	S	96.1	Very high	93.9	Very high	27 Å²	27	52.4 Å²	52.4	19%	0.189	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-69	169.3	164	57.9	0	0	0	0	111.6	P77 R78 E79	S56-P77 VanDerWaalsContact O-CB 3.31Å; S56-P77 WeakPolarHBondContact O-CB 3.41Å; S56-P77 WeakPolarHBondContact O-CG 3.16Å; S56-P77 WeakPolarHBondContact OG-CB 3.44Å; S56-R78 PolarHBondContact OG-N 3.48Å; S56-E79 PolarHBondContact N-O 3.16Å; S56-E79 PolarHBondContact OG-N 3.04Å; S56-E79 PolarHBondContact OG-O 3.45Å
57	S	95.9	Very high	93.8	Very high	44 Å²	44	51 Å²	51	31%	0.308	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-65.5	152.5	178.5	47.5	0	0	0	0	112.8	H154	S57-H154 VanDerWaalsContact CB-O 3.24Å; S57-H154 WeakPolarHBondContact CB-O 3.48Å
58	P	96.5	Very high	93.9	Very high	3 Å²	3	52.4 Å²	52.4	2%	0.019	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-57.7	155	168.4	-19.9	31	0	0	0	111.9	W74 Y88 I138 A140 V155	P58-W74 HydrophobicContact CB-CG 4.27Å; P58-Y88 HydrophobicContact CB-CE1 4.5Å; P58-Y88 HydrophobicContact CG-CD1 3.97Å; P58-Y88 HydrophobicContact CG-CE1 4.08Å; P58-I138 HydrophobicContact CB-CG2 4.35Å; P58-I138 WeakPolarHBondContact CD-O 3.41Å; P58-I138 HydrophobicContact CG-CB 4.4Å; P58-I138 HydrophobicContact CG-CG2 3.92Å; P58-I138 WeakPolarHBondContact CG-O 3.44Å; P58-A140 HydrophobicContact CG-CB 4.08Å; P58-V155 HydrophobicContact CB-CG1 3.79Å; P58-V155 HydrophobicContact CG-CG1 4.15Å; P58-V155 WeakPolarHBondContact O-CG1 3.26Å
59	R	95.8	Very high	94.2	Very high	86 Å²	86	49 Å²	49	33%	0.325	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	160.5	-172.5	-65.3	178.1	-68.3	175.1	-3.1	111.5	V61 H75 S76 P77	R59-V61 PolarHBondContact O-N 3.48Å; R59-H75 HydrophobicContact CB-CB 4.22Å; R59-H75 PolarHBondContact N-O 2.71Å; R59-H75 PolarHBondContact O-N 2.76Å; R59-S76 PolarHBondContact NE-O 3.3Å; R59-S76 PolarHBondContact NH2-O 3.03Å; R59-P77 PolarHBondContact NH2-O 3.41Å
60	N	93.9	Very high	94.4	Very high	110 Å²	110	45.1 Å²	45.1	59%	0.588	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	47.7	53.8	167.4	-57.9	-3.3	0	0	0	112.9	I62 H75	N60-I62 PolarHBondContact O-N 3.37Å; N60-H75 HydrophobicContact CB-CB 4.31Å; N60-H75 WeakPolarHBondContact CB-ND1 3.31Å
61	V	95.4	Very high	94.5	Very high	30 Å²	30	43.8 Å²	43.8	18%	0.182	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	130.2	175.9	-172	0	0	0	0	109.1	R59 E73 W74 I138 V155 I157	R59-V61 PolarHBondContact O-N 3.48Å; V61-E73 WeakPolarHBondContact CA-O 3.26Å; V61-W74 HydrophobicContact CG2-CB 4.16Å; V61-I138 HydrophobicContact CB-CD1 4.5Å; V61-I138 HydrophobicContact CG1-CD1 3.66Å; V61-I138 HydrophobicContact CG2-CD1 3.95Å; V61-V155 HydrophobicContact CG2-CB 4.25Å; V61-V155 HydrophobicContact CG2-CG1 3.39Å; V61-V155 HydrophobicContact CG2-CG2 3.8Å; V61-I157 HydrophobicContact CG1-CB 4.39Å; V61-I157 HydrophobicContact CG1-CD1 3.96Å; V61-I157 HydrophobicContact CG1-CG2 4.09Å
62	I	92.7	Very high	94.6	Very high	96 Å²	96	43.8 Å²	43.8	49%	0.492	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	152	169.4	63.4	175.1	0	0	0	109.1	N60 E73	N60-I62 PolarHBondContact O-N 3.37Å; I62-E73 HydrophobicContact CD1-CB 4.2Å; I62-E73 HydrophobicContact CG1-CB 3.8Å; I62-E73 PolarHBondContact N-O 3.36Å; I62-E73 PolarHBondContact O-N 2.71Å
63	S	93.9	Very high	94.6	Very high	44 Å²	44	45.8 Å²	45.8	31%	0.308	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	128.6	-179.3	58.5	0	0	0	0	111.4	I71 I159	S63-I71 CarbonylContact C-O 3.59Å; S63-I71 VanDerWaalsContact CA-O 3.29Å; S63-I71 WeakPolarHBondContact CA-O 3.27Å; S63-I159 VanDerWaalsContact CB-CD1 3.46Å
64	I	92.6	Very high	94.7	Very high	102 Å²	102	44.9 Å²	44.9	52%	0.523	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	116	167.5	-50.9	173.4	0	0	0	106.6	V70 I71	I64-V70 WeakPolarHBondContact O-CA 3.41Å; I64-I71 HydrophobicContact CB-CB 4.21Å; I64-I71 PolarHBondContact N-O 3.4Å; I64-I71 PolarHBondContact O-N 3.29Å
65	V	93.3	Very high	94.8	Very high	39 Å²	39	48 Å²	48	24%	0.236	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	128.6	-166.6	-175.4	0	0	0	0	109.9	V70 I159 N162	V65-V70 HydrophobicContact CG1-CG2 4.28Å; V65-V70 HydrophobicContact CG2-CG2 4.49Å; V65-I159 HydrophobicContact CB-CG2 4.39Å; V65-I159 HydrophobicContact CG1-CG2 3.84Å; V65-I159 HydrophobicContact CG2-CG2 3.57Å; V65-N162 PolarHBondContact O-ND2 3.05Å
66	N	90.9	Very high	94.7	Very high	69 Å²	69	50.6 Å²	50.6	37%	0.369	27%	0.274	S	S	.	.			trans	-116.4	-167.9	174.7	-158.7	37.8	0	0	0	110.9	S69 N162	N66-S69 PolarHBondContact N-O 3.05Å; N66-N162 WeakPolarHBondContact CA-ND2 3.5Å; N66-N162 PolarHBondContact O-N 3.42Å
67	E	89.9	Confident	94.7	Very high	73 Å²	73	49.6 Å²	49.6	34%	0.341	27%	0.266	S	S	.	.	S	Bend	trans	-73.2	-38.3	-179.2	-39.9	89.5	163.3	0	0	112.9	A130 T161 N162 A164	E67-A130 HydrophobicContact CB-CB 4.5Å; E67-A130 VanDerWaalsContact O-CA 3.22Å; E67-A130 WeakPolarHBondContact O-CA 3.32Å; E67-T161 WeakPolarHBondContact O-CB 3.44Å; E67-N162 HydrophobicContact CB-CB 4.44Å; E67-N162 HydrophobicContact CG-CB 4.17Å; E67-A164 HydrophobicContact CB-CB 3.92Å; E67-A164 HydrophobicContact CG-CB 4.15Å
68	T	91.6	Very high	94.6	Very high	67 Å²	67	56.2 Å²	56.2	41%	0.411	28%	0.284	S	S	.	.	S	Bend	trans	-128.8	10.4	-176.9	59.8	0	0	0	0	113.9	S126 N127 L128	T68-S126 CarbonylContact O-C 3.6Å; T68-N127 PolarHBondContact O-N 3.47Å; T68-N127 VanDerWaalsContact O-N 3.09Å; T68-L128 VanDerWaalsContact CA-O 3.27Å; T68-L128 WeakPolarHBondContact CA-O 3.38Å; T68-L128 VanDerWaalsContact CB-O 3.24Å; T68-L128 WeakPolarHBondContact CB-O 3.35Å; T68-L128 WeakPolarHBondContact CG2-O 3.33Å; T68-L128 PolarHBondContact O-N 3.45Å
69	S	93.9	Very high	94.5	Very high	18 Å²	18	61.9 Å²	61.9	13%	0.126	31%	0.311	C	S	.	.			trans	-145.7	156.5	-179.8	58.9	0	0	0	0	113	N66 I125	N66-S69 PolarHBondContact N-O 3.05Å; S69-I125 CarbonylContact C-O 3.56Å; S69-I125 WeakPolarHBondContact CA-O 3.44Å; S69-I125 WeakPolarHBondContact CB-O 3.36Å
70	V	96.4	Very high	94.5	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	131.8	176.4	172.1	0	0	0	0	108.4	I64 V65 L72 I125 L128 I159	I64-V70 WeakPolarHBondContact O-CA 3.41Å; V65-V70 HydrophobicContact CG1-CG2 4.28Å; V65-V70 HydrophobicContact CG2-CG2 4.49Å; V70-L72 HydrophobicContact CG1-CD2 3.6Å; V70-L72 HydrophobicContact CG1-CG 3.95Å; V70-I125 PolarHBondContact N-O 2.87Å; V70-I125 PolarHBondContact O-N 2.99Å; V70-L128 HydrophobicContact CB-CD1 4.02Å; V70-L128 HydrophobicContact CG2-CD1 3.6Å; V70-I159 HydrophobicContact CG1-CD1 3.76Å; V70-I159 HydrophobicContact CG2-CG2 3.94Å
71	I	96.4	Very high	94.3	Very high	30 Å²	30	55.7 Å²	55.7	15%	0.154	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	127.3	160.3	-62.4	164.4	0	0	0	107.1	S63 I64 E73 R122 V123 F124	S63-I71 CarbonylContact C-O 3.59Å; S63-I71 VanDerWaalsContact CA-O 3.29Å; S63-I71 WeakPolarHBondContact CA-O 3.27Å; I64-I71 HydrophobicContact CB-CB 4.21Å; I64-I71 PolarHBondContact N-O 3.4Å; I64-I71 PolarHBondContact O-N 3.29Å; I71-E73 HydrophobicContact CG2-CG 4.02Å; I71-R122 HydrophobicContact CG2-CG 4.34Å; I71-V123 WeakPolarHBondContact CA-O 3.44Å; I71-F124 HydrophobicContact CD1-CD2 4.18Å; I71-F124 HydrophobicContact CG1-CB 4.35Å; I71-F124 HydrophobicContact CG1-CD2 3.63Å; I71-F124 HydrophobicContact CG1-CE2 4.48Å; I71-F124 HydrophobicContact CG1-CG 4.42Å
72	L	96.9	Very high	94.1	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	133	166.5	-59.1	177.6	0	0	0	108.3	V70 W74 R122 V123 I125 F136 I138 I157 I159	V70-L72 HydrophobicContact CG1-CD2 3.6Å; V70-L72 HydrophobicContact CG1-CG 3.95Å; L72-W74 HydrophobicContact CB-CE3 4.21Å; L72-W74 HydrophobicContact CB-CZ3 3.97Å; L72-W74 WeakPolarHBondContact O-CZ3 3.27Å; L72-R122 CarbonylContact O-C 3.49Å; L72-R122 VanDerWaalsContact O-CA 3.28Å; L72-R122 WeakPolarHBondContact O-CA 3.4Å; L72-V123 HydrophobicContact CB-CG1 4.05Å; L72-V123 HydrophobicContact CD1-CG1 4.3Å; L72-V123 HydrophobicContact CG-CG1 4.45Å; L72-V123 PolarHBondContact N-O 2.69Å; L72-V123 PolarHBondContact O-N 3.07Å; L72-I125 HydrophobicContact CD1-CD1 3.87Å; L72-I125 HydrophobicContact CG-CD1 4.29Å; L72-F136 HydrophobicContact CD1-CB 3.77Å; L72-F136 HydrophobicContact CD1-CD1 4.16Å; L72-F136 HydrophobicContact CD1-CD2 4.47Å; L72-F136 HydrophobicContact CD1-CG 3.9Å; L72-I138 HydrophobicContact CB-CD1 4.39Å; L72-I138 HydrophobicContact CD1-CD1 4.14Å; L72-I138 HydrophobicContact CD1-CG1 4.43Å; L72-I157 HydrophobicContact CD2-CG2 4.04Å; L72-I159 HydrophobicContact CD2-CD1 3.6Å
73	E	96.6	Very high	94.1	Very high	54 Å²	54	55 Å²	55	25%	0.252	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	141.8	169.5	-70.8	177.1	-175.6	0	0	108.8	V61 I62 I71 T121 R122	V61-E73 WeakPolarHBondContact CA-O 3.26Å; I62-E73 HydrophobicContact CD1-CB 4.2Å; I62-E73 HydrophobicContact CG1-CB 3.8Å; I62-E73 PolarHBondContact N-O 3.36Å; I62-E73 PolarHBondContact O-N 2.71Å; I71-E73 HydrophobicContact CG2-CG 4.02Å; E73-T121 WeakPolarHBondContact CA-O 3.19Å; E73-R122 HydrophobicContact CG-CB 4.04Å; E73-R122 HydrophobicContact CG-CG 3.79Å; E73-R122 WeakPolarHBondContact OE1-CD 3.48Å; E73-R122 IonicContact OE1-CZ 3.5Å; E73-R122 IonicContact OE1-NE 2.99Å; E73-R122 IonicContact OE1-NH1 2.65Å; E73-R122 PolarHBondContact OE1-NH1 2.97Å
74	W	97.1	Very high	94	Very high	7 Å²	7	60.4 Å²	60.4	3%	0.027	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	170.2	-178.6	58	96	0	0	0	111.6	P58 V61 L72 Y88 I90 L118 E120 T121 V123 I138	P58-W74 HydrophobicContact CB-CG 4.27Å; V61-W74 HydrophobicContact CG2-CB 4.16Å; L72-W74 HydrophobicContact CB-CE3 4.21Å; L72-W74 HydrophobicContact CB-CZ3 3.97Å; L72-W74 WeakPolarHBondContact O-CZ3 3.27Å; W74-Y88 AromaticContact CE2-CG 3.88Å; W74-Y88 HydrophobicContact CZ2-CD1 4.47Å; W74-Y88 AromaticContact CZ2-CD2 3.91Å; W74-Y88 HydrophobicContact CZ2-CD2 3.91Å; W74-Y88 AromaticContact CZ2-CG 3.78Å; W74-Y88 HydrophobicContact CZ2-CG 3.78Å; W74-Y88 AromaticContact NE1-CD1 3.33Å; W74-Y88 VanDerWaalsContact NE1-CD1 3.33Å; W74-Y88 AromaticContact NE1-CD2 3.58Å; W74-Y88 AromaticContact NE1-CE1 3.45Å; W74-Y88 AromaticContact NE1-CE2 3.73Å; W74-Y88 AromaticContact NE1-CG 3.41Å; W74-Y88 AromaticContact NE1-CZ 3.68Å; W74-I90 HydrophobicContact CH2-CD1 3.96Å; W74-I90 HydrophobicContact CZ2-CD1 4.47Å; W74-I90 HydrophobicContact CZ3-CD1 4.38Å; W74-L118 HydrophobicContact CH2-CD1 4.23Å; W74-E120 WeakPolarHBondContact CZ2-O 3.46Å; W74-T121 VanDerWaalsContact CE2-CA 3.45Å; W74-T121 PolarHBondContact N-O 3.2Å; W74-T121 WeakPolarHBondContact O-CB 3.3Å; W74-T121 PolarHBondContact O-OG1 2.99Å; W74-T121 VanDerWaalsContact O-OG1 3.07Å; W74-V123 HydrophobicContact CH2-CB 4.3Å; W74-V123 HydrophobicContact CH2-CG1 4.21Å; W74-V123 HydrophobicContact CZ3-CB 4.46Å; W74-V123 HydrophobicContact CZ3-CG1 4.05Å; W74-I138 HydrophobicContact CD2-CD1 4.05Å; W74-I138 HydrophobicContact CD2-CG2 3.9Å; W74-I138 HydrophobicContact CE3-CD1 3.67Å; W74-I138 HydrophobicContact CE3-CG2 4.3Å; W74-I138 HydrophobicContact CG-CD1 4.48Å; W74-I138 HydrophobicContact CG-CG2 4.33Å; W74-I138 HydrophobicContact CH2-CG2 4.47Å; W74-I138 HydrophobicContact CZ2-CG2 4.07Å; W74-I138 HydrophobicContact CZ3-CD1 4.2Å
75	H	97.4	Very high	94	Very high	106 Å²	106	58.4 Å²	58.4	49%	0.491	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	149.6	169.5	-66.8	57.2	0	0	0	109.7	R59 N60	R59-H75 HydrophobicContact CB-CB 4.22Å; R59-H75 PolarHBondContact N-O 2.71Å; R59-H75 PolarHBondContact O-N 2.76Å; N60-H75 HydrophobicContact CB-CB 4.31Å; N60-H75 WeakPolarHBondContact CB-ND1 3.31Å
76	S	95.4	Very high	94.1	Very high	58 Å²	58	57.5 Å²	57.5	41%	0.406	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-57.4	157.9	177	56.5	0	0	0	0	112.6	R59	R59-S76 PolarHBondContact NE-O 3.3Å; R59-S76 PolarHBondContact NH2-O 3.03Å
77	P	96.4	Very high	94.4	Very high	5 Å²	5	56 Å²	56	3%	0.032	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-48.6	155.2	173.8	-32.9	39.8	0	0	0	114.3	P55 S56 R59 E79 V86 Y88 A140	P55-P77 HydrophobicContact CB-CB 4.38Å; P55-P77 HydrophobicContact CB-CG 4.24Å; S56-P77 VanDerWaalsContact O-CB 3.31Å; S56-P77 WeakPolarHBondContact O-CB 3.41Å; S56-P77 WeakPolarHBondContact O-CG 3.16Å; S56-P77 WeakPolarHBondContact OG-CB 3.44Å; R59-P77 PolarHBondContact NH2-O 3.41Å; P77-E79 VanDerWaalsContact CB-O 3.29Å; P77-E79 WeakPolarHBondContact CB-O 3.44Å; P77-V86 HydrophobicContact CG-CG1 4.33Å; P77-Y88 WeakPolarHBondContact CD-OH 3.29Å; P77-Y88 HydrophobicContact CG-CE1 4.4Å; P77-A140 HydrophobicContact CG-CB 3.63Å
78	R	94.3	Very high	94.7	Very high	183 Å²	183	53 Å²	53	69%	0.691	29%	0.287	S	S	*	.	S	Bend	trans	-68.2	-42.6	171.8	178.4	179.2	-70.2	-83.1	3.4	110.7	S56	S56-R78 PolarHBondContact OG-N 3.48Å
79	E	94.6	Very high	94.9	Very high	123 Å²	123	51.2 Å²	51.2	58%	0.575	28%	0.275	S	S	*	.			trans	-120.8	126.1	177.4	-70.7	150.9	-136.3	0	0	107.8	P55 S56 P77 G81	P55-E79 WeakPolarHBondContact CA-O 3.41Å; S56-E79 PolarHBondContact N-O 3.16Å; S56-E79 PolarHBondContact OG-N 3.04Å; S56-E79 PolarHBondContact OG-O 3.45Å; P77-E79 VanDerWaalsContact CB-O 3.29Å; P77-E79 WeakPolarHBondContact CB-O 3.44Å; E79-G81 VanDerWaalsContact C-N 3.31Å
80	T	94.3	Very high	95	Very high	52 Å²	52	50.4 Å²	50.4	32%	0.319	27%	0.269	S	S	.	.			trans	-89.3	-0.2	174	63.3	0	0	0	0	112.9	G82 R83 V86 N142	T80-G82 VanDerWaalsContact C-N 3.29Å; T80-G82 PolarHBondContact OG1-N 3.39Å; T80-R83 WeakPolarHBondContact CB-O 3.41Å; T80-R83 PolarHBondContact OG1-O 3.07Å; T80-V86 HydrophobicContact CG2-CG2 3.91Å; T80-N142 PolarHBondContact O-ND2 3.48Å
81	G	91.1	Very high	94.9	Very high	13 Å²	13	51.7 Å²	51.7	13%	0.134	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.6	10.9	-171.8	0	0	0	0	0	115.5	T52 S53 E79	T52-G81 WeakPolarHBondContact CB-O 3.27Å; S53-G81 PolarHBondContact N-O 3.19Å; S53-G81 WeakPolarHBondContact O-CA 3.38Å; S53-G81 WeakPolarHBondContact OG-CA 3.4Å; E79-G81 VanDerWaalsContact C-N 3.31Å
82	G	90.9	Very high	94.9	Very high	67 Å²	67	50.4 Å²	50.4	69%	0.691	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.4	14.9	-179	0	0	0	0	0	114.4	T80	T80-G82 VanDerWaalsContact C-N 3.29Å; T80-G82 PolarHBondContact OG1-N 3.39Å
83	R	92.1	Very high	94.8	Very high	44 Å²	44	53 Å²	53	17%	0.166	28%	0.282	C	S	.	.			trans	-117.5	161.9	173.5	-53.3	-177.1	76.7	93.5	-9.4	111	D45 T52 T80 D85	D45-R83 VanDerWaalsContact CG-NH1 3.28Å; D45-R83 IonicContact OD1-CZ 2.8Å; D45-R83 IonicContact OD1-NH1 3.09Å; D45-R83 PolarHBondContact OD1-NH1 2.98Å; D45-R83 IonicContact OD1-NH2 3.59Å; D45-R83 PolarHBondContact OD1-NH2 3.26Å; D45-R83 IonicContact OD2-CZ 3.99Å; D45-R83 IonicContact OD2-NH1 2.89Å; D45-R83 PolarHBondContact OD2-NH1 3.16Å; D45-R83 IonicContact OD2-NH2 3.75Å; T52-R83 HydrophobicContact CG2-CG 3.84Å; T52-R83 PolarHBondContact OG1-NH1 2.94Å; T80-R83 WeakPolarHBondContact CB-O 3.41Å; T80-R83 PolarHBondContact OG1-O 3.07Å; R83-D85 VanDerWaalsContact CB-OD1 3.25Å; R83-D85 WeakPolarHBondContact CB-OD1 3.28Å; R83-D85 WeakPolarHBondContact CD-OD1 3.22Å; R83-D85 IonicContact CZ-OD2 3.37Å; R83-D85 VanDerWaalsContact CZ-OD2 3.3Å; R83-D85 VanDerWaalsContact NE-CG 3.26Å; R83-D85 IonicContact NE-OD1 2.73Å; R83-D85 PolarHBondContact NE-OD1 2.73Å; R83-D85 IonicContact NE-OD2 3.56Å; R83-D85 PolarHBondContact NE-OD2 3.21Å; R83-D85 IonicContact NH2-OD2 2.81Å; R83-D85 PolarHBondContact NH2-OD2 3.1Å
84	D	91.4	Very high	94.6	Very high	159 Å²	159	52.6 Å²	52.6	85%	0.85	28%	0.28	S	S	*	.	S	Bend	trans	-103.7	-17.3	170.8	57.1	-11.9	0	0	0	112.9	V86	D84-V86 PolarHBondContact O-N 2.98Å
85	D	93.8	Very high	94.2	Very high	59 Å²	59	52.9 Å²	52.9	32%	0.316	28%	0.283	S	S	.	.			trans	-68.7	31.9	176.6	69.5	8.3	0	0	0	115.7	R83 N142 G143	R83-D85 VanDerWaalsContact CB-OD1 3.25Å; R83-D85 WeakPolarHBondContact CB-OD1 3.28Å; R83-D85 WeakPolarHBondContact CD-OD1 3.22Å; R83-D85 IonicContact CZ-OD2 3.37Å; R83-D85 VanDerWaalsContact CZ-OD2 3.3Å; R83-D85 VanDerWaalsContact NE-CG 3.26Å; R83-D85 IonicContact NE-OD1 2.73Å; R83-D85 PolarHBondContact NE-OD1 2.73Å; R83-D85 IonicContact NE-OD2 3.56Å; R83-D85 PolarHBondContact NE-OD2 3.21Å; R83-D85 IonicContact NH2-OD2 2.81Å; R83-D85 PolarHBondContact NH2-OD2 3.1Å; D85-N142 WeakPolarHBondContact OD1-CB 3.27Å; D85-G143 VanDerWaalsContact CG-N 3.33Å; D85-G143 PolarHBondContact OD1-N 3.38Å; D85-G143 WeakPolarHBondContact OD2-CA 3.47Å; D85-G143 PolarHBondContact OD2-N 3.03Å
86	V	95.4	Very high	93.5	Very high	21 Å²	21	56.5 Å²	56.5	13%	0.127	29%	0.292	C	S	.	.			trans	-78.1	125	179.9	-177.2	0	0	0	0	111.4	P77 T80 D84 Y88 A140 V141 N142	P77-V86 HydrophobicContact CG-CG1 4.33Å; T80-V86 HydrophobicContact CG2-CG2 3.91Å; D84-V86 PolarHBondContact O-N 2.98Å; V86-Y88 HydrophobicContact CG1-CE1 4.35Å; V86-A140 HydrophobicContact CG1-CB 4.48Å; V86-V141 CarbonylContact C-O 3.48Å; V86-V141 VanDerWaalsContact CA-O 3.31Å; V86-V141 WeakPolarHBondContact CA-O 3.33Å; V86-N142 HydrophobicContact CG2-CB 4.2Å
87	V	96.4	Very high	92.2	Very high	38 Å²	38	58.4 Å²	58.4	23%	0.23	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	164	173.8	-60.3	0	0	0	0	111.3	L118 T119 V141	V87-L118 CarbonylContact C-O 3.55Å; V87-L118 VanDerWaalsContact CA-O 3.25Å; V87-L118 WeakPolarHBondContact CA-O 3.3Å; V87-L118 WeakPolarHBondContact CB-O 3.34Å; V87-T119 HydrophobicContact CG1-CG2 4.04Å; V87-V141 HydrophobicContact CG2-CG2 3.65Å; V87-V141 PolarHBondContact N-O 3.44Å; V87-V141 WeakPolarHBondContact O-CG2 3.22Å; V87-V141 PolarHBondContact O-N 3.19Å; V87-V141 VanDerWaalsContact O-O 3.11Å
88	Y	96.4	Very high	90.9	Very high	10 Å²	10	62.5 Å²	62.5	4%	0.039	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	145.9	-174.8	-50	-80.4	0	0	0	112.9	P58 W74 P77 V86 G117 L118 T121 Q139 A140	P58-Y88 HydrophobicContact CB-CE1 4.5Å; P58-Y88 HydrophobicContact CG-CD1 3.97Å; P58-Y88 HydrophobicContact CG-CE1 4.08Å; W74-Y88 AromaticContact CE2-CG 3.88Å; W74-Y88 HydrophobicContact CZ2-CD1 4.47Å; W74-Y88 AromaticContact CZ2-CD2 3.91Å; W74-Y88 HydrophobicContact CZ2-CD2 3.91Å; W74-Y88 AromaticContact CZ2-CG 3.78Å; W74-Y88 HydrophobicContact CZ2-CG 3.78Å; W74-Y88 AromaticContact NE1-CD1 3.33Å; W74-Y88 VanDerWaalsContact NE1-CD1 3.33Å; W74-Y88 AromaticContact NE1-CD2 3.58Å; W74-Y88 AromaticContact NE1-CE1 3.45Å; W74-Y88 AromaticContact NE1-CE2 3.73Å; W74-Y88 AromaticContact NE1-CG 3.41Å; W74-Y88 AromaticContact NE1-CZ 3.68Å; P77-Y88 WeakPolarHBondContact CD-OH 3.29Å; P77-Y88 HydrophobicContact CG-CE1 4.4Å; V86-Y88 HydrophobicContact CG1-CE1 4.35Å; Y88-G117 PolarHBondContact O-N 2.78Å; Y88-G117 VanDerWaalsContact O-N 3.08Å; Y88-L118 WeakPolarHBondContact CD2-O 3.44Å; Y88-L118 PolarHBondContact N-O 2.82Å; Y88-L118 WeakPolarHBondContact O-CB 3.42Å; Y88-L118 PolarHBondContact O-N 2.74Å; Y88-T121 HydrophobicContact CE2-CG2 3.66Å; Y88-Q139 VanDerWaalsContact CA-O 3.24Å; Y88-Q139 WeakPolarHBondContact CA-O 3.46Å; Y88-A140 HydrophobicContact CD1-CB 4.24Å; Y88-A140 HydrophobicContact CE1-CB 4.16Å
89	N	96.3	Very high	89.6	Confident	29 Å²	29	61.4 Å²	61.4	16%	0.155	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	138.8	174	-65.2	-26.5	0	0	0	109.6	L116 G117 Q139	N89-L116 HydrophobicContact CB-CD2 3.67Å; N89-L116 WeakPolarHBondContact OD1-CA 3.42Å; N89-G117 PolarHBondContact OD1-N 2.91Å; N89-Q139 HydrophobicContact CB-CB 4.25Å; N89-Q139 HydrophobicContact CB-CG 4.48Å; N89-Q139 PolarHBondContact N-O 2.97Å; N89-Q139 PolarHBondContact O-N 2.88Å
90	I	95.6	Very high	88.1	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	115.3	-179.9	-47.5	-63.2	0	0	0	110.4	W74 F111 Q115 L118 V123 I125 F136 I138	W74-I90 HydrophobicContact CH2-CD1 3.96Å; W74-I90 HydrophobicContact CZ2-CD1 4.47Å; W74-I90 HydrophobicContact CZ3-CD1 4.38Å; I90-F111 HydrophobicContact CB-CD1 4.5Å; I90-F111 HydrophobicContact CB-CE1 4.19Å; I90-F111 HydrophobicContact CG2-CD1 4.5Å; I90-F111 HydrophobicContact CG2-CE1 3.85Å; I90-Q115 HydrophobicContact CB-CG 4.35Å; I90-Q115 PolarHBondContact N-O 2.98Å; I90-Q115 VanDerWaalsContact O-CG 3.27Å; I90-Q115 WeakPolarHBondContact O-CG 3.47Å; I90-Q115 PolarHBondContact O-NE2 2.82Å; I90-L118 HydrophobicContact CD1-CD1 4.15Å; I90-L118 HydrophobicContact CG1-CD1 3.72Å; I90-V123 HydrophobicContact CD1-CG1 4.26Å; I90-V123 HydrophobicContact CG1-CG1 4.18Å; I90-I125 HydrophobicContact CG2-CD1 4.43Å; I90-F136 HydrophobicContact CG2-CD1 4.23Å; I90-I138 HydrophobicContact CD1-CB 4.27Å; I90-I138 HydrophobicContact CD1-CG1 4.06Å; I90-I138 HydrophobicContact CD1-CG2 3.83Å
91	V	94.4	Very high	87.4	Confident	27 Å²	27	66.5 Å²	66.5	16%	0.164	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	116.7	168.2	-168.8	0	0	0	0	108.6	K93 F136 E137 Q139	V91-K93 HydrophobicContact CG1-CG 4.36Å; V91-F136 WeakPolarHBondContact O-CA 3.49Å; V91-E137 HydrophobicContact CB-CB 4.07Å; V91-E137 HydrophobicContact CB-CG 4.46Å; V91-E137 HydrophobicContact CG2-CB 4.49Å; V91-E137 PolarHBondContact N-O 2.87Å; V91-E137 PolarHBondContact O-N 2.83Å; V91-Q139 HydrophobicContact CG2-CG 4.39Å
92	C	95.3	Very high	87.2	Confident	4 Å²	4	68.8 Å²	68.8	3%	0.027	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	127.7	176.3	-174.8	0	0	0	0	110	C105 F111 F136	C92-C105 HydrophobicContact CB-CB 3.77Å; C92-C105 WeakPolarHBondContact CB-SG 3.3Å; C92-C105 PolarHBondContact O-N 3.06Å; C92-C105 VanDerWaalsContact O-N 3.16Å; C92-C105 PolarHBondContact O-SG 3.01Å; C92-C105 WeakPolarHBondContact SG-CB 3.5Å; C92-C105 CovalentContact SG-SG 2.03Å; C92-C105 PolarHBondContact SG-SG 2.71Å; C92-F111 HydrophobicContact CB-CE1 4.36Å; C92-F111 HydrophobicContact CB-CZ 3.68Å; C92-F136 HydrophobicContact CB-CD1 4.11Å; C92-F136 HydrophobicContact CB-CE1 4.05Å; C92-F136 WeakPolarHBondContact SG-CE1 3.42Å
93	K	94.8	Very high	87.2	Confident	55 Å²	55	68.9 Å²	68.9	24%	0.239	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	140.2	176.1	-61.9	175.1	-172.8	172.8	0	110.3	V91 C102 S103 C105 Y134 S135 E137	V91-K93 HydrophobicContact CG1-CG 4.36Å; K93-C102 HydrophobicContact CB-CB 4.16Å; K93-S103 CarbonylContact C-O 3.59Å; K93-S103 WeakPolarHBondContact CA-O 3.41Å; K93-S103 WeakPolarHBondContact CB-O 3.46Å; K93-C105 VanDerWaalsContact C-SG 3.58Å; K93-C105 PolarHBondContact N-SG 3.43Å; K93-Y134 CarbonylContact O-C 3.58Å; K93-Y134 VanDerWaalsContact O-CA 3.27Å; K93-Y134 WeakPolarHBondContact O-CA 3.12Å; K93-S135 PolarHBondContact N-O 3.25Å; K93-S135 PolarHBondContact O-N 3.18Å; K93-E137 WeakPolarHBondContact CE-OE2 3.46Å; K93-E137 IonicContact NZ-OE1 3.03Å; K93-E137 PolarHBondContact NZ-OE1 2.81Å; K93-E137 IonicContact NZ-OE2 3.03Å; K93-E137 PolarHBondContact NZ-OE2 2.87Å
94	K	93.2	Very high	87.2	Confident	45 Å²	45	73.3 Å²	73.3	20%	0.196	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	117	179	178.2	175.2	175.5	176.9	0	108.5	C102 S103 D106 T132 Y134	K94-C102 CarbonylContact O-C 3.59Å; K94-C102 WeakPolarHBondContact O-CA 3.03Å; K94-S103 PolarHBondContact N-O 2.73Å; K94-S103 PolarHBondContact O-N 2.91Å; K94-D106 VanDerWaalsContact CD-OD2 3.22Å; K94-D106 WeakPolarHBondContact CD-OD2 3.23Å; K94-D106 WeakPolarHBondContact CE-OD2 3.33Å; K94-D106 IonicContact NZ-OD1 2.66Å; K94-D106 PolarHBondContact NZ-OD1 3.37Å; K94-D106 IonicContact NZ-OD2 2.9Å; K94-D106 PolarHBondContact NZ-OD2 2.81Å; K94-T132 HydrophobicContact CG-CG2 4.24Å; K94-Y134 HydrophobicContact CB-CD1 4.03Å; K94-Y134 HydrophobicContact CB-CE1 3.82Å; K94-Y134 HydrophobicContact CD-CE1 4.17Å; K94-Y134 HydrophobicContact CG-CD1 4.41Å; K94-Y134 HydrophobicContact CG-CE1 3.91Å
95	C	89	Confident	87.1	Confident	13 Å²	13	66.7 Å²	66.7	9%	0.088	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	145.1	-167.6	-65.8	0	0	0	0	112.5	C102 L133	C95-C102 HydrophobicContact CB-CB 4.02Å; C95-C102 WeakPolarHBondContact CB-SG 3.47Å; C95-C102 WeakPolarHBondContact SG-CB 3.27Å; C95-C102 CovalentContact SG-SG 2.04Å; C95-C102 PolarHBondContact SG-SG 3.46Å; C95-L133 HydrophobicContact CB-CB 4.38Å; C95-L133 HydrophobicContact CB-CD2 3.91Å; C95-L133 HydrophobicContact CB-CG 3.95Å; C95-L133 PolarHBondContact N-O 2.89Å
96	R	82.1	Confident	86.7	Confident	181 Å²	181	66.5 Å²	66.5	68%	0.683	34%	0.336	S	S	*	.			trans	-73.2	155.8	165.7	-67	-166.4	179.1	-172.3	-2.3	110.6	D98 R99 S101	R96-D98 VanDerWaalsContact CB-OD1 3.31Å; R96-D98 WeakPolarHBondContact CB-OD1 3.13Å; R96-D98 PolarHBondContact O-N 2.68Å; R96-D98 VanDerWaalsContact O-N 3.09Å; R96-R99 PolarHBondContact O-N 3.46Å; R96-S101 WeakPolarHBondContact CD-OG 3.42Å; R96-S101 PolarHBondContact N-O 3.09Å
97	A	67.8	Low	86	Confident	99 Å²	99	74 Å²	74	82%	0.818	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-20.1	-176.9	0	0	0	0	0	114.4	R99	A97-R99 VanDerWaalsContact C-N 3.33Å
98	D	69.3	Low	85.4	Confident	90 Å²	90	76.2 Å²	76.2	48%	0.481	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-5.1	174.8	73.3	-22.7	0	0	0	113.8	R96 R100	R96-D98 VanDerWaalsContact CB-OD1 3.31Å; R96-D98 WeakPolarHBondContact CB-OD1 3.13Å; R96-D98 PolarHBondContact O-N 2.68Å; R96-D98 VanDerWaalsContact O-N 3.09Å; D98-R100 PolarHBondContact O-N 3.38Å; D98-R100 PolarHBondContact OD1-N 3.48Å; D98-R100 WeakPolarHBondContact OD2-CB 3.15Å
99	R	67.3	Low	85.1	Confident	161 Å²	161	76.3 Å²	76.3	61%	0.608	39%	0.388	S	S	*	.	S	Bend	trans	56.5	8.9	-175.9	-51.8	-165.9	-169.9	-168.7	7.5	115.9	R96 A97 L133 D158	R96-R99 PolarHBondContact O-N 3.46Å; A97-R99 VanDerWaalsContact C-N 3.33Å; R99-L133 HydrophobicContact CG-CD2 3.91Å; R99-D158 IonicContact CZ-OD2 3.45Å; R99-D158 IonicContact NE-OD2 2.75Å; R99-D158 IonicContact NH1-OD2 3.5Å; R99-D158 PolarHBondContact NH1-OD2 3.37Å
100	R	63.5	Low	84.9	Confident	226 Å²	226	79 Å²	79	85%	0.853	40%	0.402	S	S	*	.	S	Bend	trans	-84.5	-15.5	-178.6	-65.4	178.3	175.7	-160.7	-3.3	113.7	D98	D98-R100 PolarHBondContact O-N 3.38Å; D98-R100 PolarHBondContact OD1-N 3.48Å; D98-R100 WeakPolarHBondContact OD2-CB 3.15Å
101	S	79.2	Confident	84.8	Confident	55 Å²	55	80.6 Å²	80.6	39%	0.385	41%	0.409	S	S	.	.			trans	-141	127	174.5	51.7	0	0	0	0	110.3	R96	R96-S101 WeakPolarHBondContact CD-OG 3.42Å; R96-S101 PolarHBondContact N-O 3.09Å
102	C	86.6	Confident	84.4	Confident	61 Å²	61	82.9 Å²	82.9	41%	0.412	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	130.7	167.6	-51.8	0	0	0	0	108.3	K93 K94 C95	K93-C102 HydrophobicContact CB-CB 4.16Å; K94-C102 CarbonylContact O-C 3.59Å; K94-C102 WeakPolarHBondContact O-CA 3.03Å; C95-C102 HydrophobicContact CB-CB 4.02Å; C95-C102 WeakPolarHBondContact CB-SG 3.47Å; C95-C102 WeakPolarHBondContact SG-CB 3.27Å; C95-C102 CovalentContact SG-SG 2.04Å; C95-C102 PolarHBondContact SG-SG 3.46Å
103	S	91.3	Very high	83.6	Confident	70 Å²	70	87.5 Å²	87.5	49%	0.49	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	175.1	165.8	62.1	0	0	0	0	109.6	K93 K94	K93-S103 CarbonylContact C-O 3.59Å; K93-S103 WeakPolarHBondContact CA-O 3.41Å; K93-S103 WeakPolarHBondContact CB-O 3.46Å; K94-S103 PolarHBondContact N-O 2.73Å; K94-S103 PolarHBondContact O-N 2.91Å
104	H	92.1	Very high	83.2	Confident	136 Å²	136	90.9 Å²	90.9	63%	0.63	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.2	160.1	155.4	-72.4	-77.6	0	0	0	110.5
105	C	89.6	Confident	83	Confident	20 Å²	20	92.5 Å²	92.5	14%	0.135	47%	0.47	C	S	.	.	P	Polyproline II helix	trans	-64.5	157.6	171.8	-66.2	0	0	0	0	111.8	C92 K93 V109 Y134	C92-C105 HydrophobicContact CB-CB 3.77Å; C92-C105 WeakPolarHBondContact CB-SG 3.3Å; C92-C105 PolarHBondContact O-N 3.06Å; C92-C105 VanDerWaalsContact O-N 3.16Å; C92-C105 PolarHBondContact O-SG 3.01Å; C92-C105 WeakPolarHBondContact SG-CB 3.5Å; C92-C105 CovalentContact SG-SG 2.03Å; C92-C105 PolarHBondContact SG-SG 2.71Å; K93-C105 VanDerWaalsContact C-SG 3.58Å; K93-C105 PolarHBondContact N-SG 3.43Å; C105-V109 HydrophobicContact CB-CB 4.44Å; C105-V109 HydrophobicContact CB-CG2 4.16Å; C105-Y134 VanDerWaalsContact SG-CD1 3.53Å
106	D	85.2	Confident	83.3	Confident	55 Å²	55	97 Å²	97	29%	0.294	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-68.3	147.4	-179.6	-40.6	-86.3	0	0	0	110.7	K94 N108 V109	K94-D106 VanDerWaalsContact CD-OD2 3.22Å; K94-D106 WeakPolarHBondContact CD-OD2 3.23Å; K94-D106 WeakPolarHBondContact CE-OD2 3.33Å; K94-D106 IonicContact NZ-OD1 2.66Å; K94-D106 PolarHBondContact NZ-OD1 3.37Å; K94-D106 IonicContact NZ-OD2 2.9Å; K94-D106 PolarHBondContact NZ-OD2 2.81Å; D106-N108 WeakPolarHBondContact CB-OD1 3.48Å; D106-N108 PolarHBondContact O-N 3.28Å; D106-V109 WeakPolarHBondContact O-CG2 3.35Å; D106-V109 PolarHBondContact O-N 3.27Å
107	D	79.8	Confident	83.7	Confident	179 Å²	179	89.4 Å²	89.4	96%	0.957	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-14	-172.3	-57.4	-42.3	0	0	0	114.7
108	N	84.3	Confident	85	Confident	85 Å²	85	84.8 Å²	84.8	46%	0.455	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	1.6	179.7	72.3	-84.7	0	0	0	114.2	D106 D110 N127	D106-N108 WeakPolarHBondContact CB-OD1 3.48Å; D106-N108 PolarHBondContact O-N 3.28Å; N108-D110 PolarHBondContact O-N 3.07Å; N108-N127 PolarHBondContact ND2-O 3.33Å; N108-N127 WeakPolarHBondContact O-CB 3.32Å; N108-N127 PolarHBondContact O-ND2 2.94Å
109	V	90.2	Very high	86.1	Confident	12 Å²	12	85.2 Å²	85.2	7%	0.073	44%	0.439	C	S	.	.			trans	-78.7	112	179.3	174.5	0	0	0	0	110.3	C105 D106 F111 I125 S126 L128	C105-V109 HydrophobicContact CB-CB 4.44Å; C105-V109 HydrophobicContact CB-CG2 4.16Å; D106-V109 WeakPolarHBondContact O-CG2 3.35Å; D106-V109 PolarHBondContact O-N 3.27Å; V109-F111 HydrophobicContact CG1-CE2 4.06Å; V109-F111 HydrophobicContact CG1-CZ 4.22Å; V109-F111 WeakPolarHBondContact O-CD2 3.46Å; V109-F111 WeakPolarHBondContact O-CE2 3.47Å; V109-I125 HydrophobicContact CG1-CG2 3.59Å; V109-S126 WeakPolarHBondContact CA-O 3.33Å; V109-L128 HydrophobicContact CG1-CD2 3.66Å; V109-L128 HydrophobicContact CG2-CD2 3.99Å
110	D	91.8	Very high	87.3	Confident	86 Å²	86	83.3 Å²	83.3	46%	0.46	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	135.5	-175.2	-76.1	-35.5	0	0	0	112	N108 I125 S126 N127	N108-D110 PolarHBondContact O-N 3.07Å; D110-I125 CarbonylContact O-C 3.54Å; D110-I125 VanDerWaalsContact O-CA 3.3Å; D110-I125 WeakPolarHBondContact O-CA 3.42Å; D110-S126 PolarHBondContact N-O 2.81Å; D110-S126 PolarHBondContact O-N 2.83Å; D110-N127 PolarHBondContact OD2-ND2 2.8Å
111	F	93.4	Very high	88.8	Confident	32 Å²	32	75.2 Å²	75.2	14%	0.14	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	107	171.1	-61.5	-99.1	0	0	0	109.3	I90 C92 V109 R114 Q115 V123 I125	I90-F111 HydrophobicContact CB-CD1 4.5Å; I90-F111 HydrophobicContact CB-CE1 4.19Å; I90-F111 HydrophobicContact CG2-CD1 4.5Å; I90-F111 HydrophobicContact CG2-CE1 3.85Å; C92-F111 HydrophobicContact CB-CE1 4.36Å; C92-F111 HydrophobicContact CB-CZ 3.68Å; V109-F111 HydrophobicContact CG1-CE2 4.06Å; V109-F111 HydrophobicContact CG1-CZ 4.22Å; V109-F111 WeakPolarHBondContact O-CD2 3.46Å; V109-F111 WeakPolarHBondContact O-CE2 3.47Å; F111-R114 PolarHBondContact O-N 2.73Å; F111-Q115 HydrophobicContact CB-CB 4.05Å; F111-Q115 HydrophobicContact CD1-CB 4.18Å; F111-Q115 HydrophobicContact CD1-CG 3.95Å; F111-Q115 HydrophobicContact CD2-CB 3.87Å; F111-Q115 HydrophobicContact CD2-CG 3.94Å; F111-Q115 HydrophobicContact CE1-CG 3.98Å; F111-Q115 HydrophobicContact CE2-CB 4.4Å; F111-Q115 HydrophobicContact CE2-CG 3.97Å; F111-Q115 HydrophobicContact CG-CB 3.77Å; F111-Q115 HydrophobicContact CG-CG 3.95Å; F111-Q115 HydrophobicContact CZ-CG 3.99Å; F111-V123 HydrophobicContact CB-CG2 4.46Å; F111-V123 HydrophobicContact CD1-CG2 4.38Å; F111-I125 HydrophobicContact CD1-CD1 4.09Å; F111-I125 HydrophobicContact CD1-CG1 3.89Å; F111-I125 HydrophobicContact CD1-CG2 4.29Å; F111-I125 HydrophobicContact CE1-CD1 3.8Å; F111-I125 HydrophobicContact CE1-CG1 4.06Å; F111-I125 HydrophobicContact CE1-CG2 4.07Å; F111-I125 HydrophobicContact CZ-CG2 4.36Å
112	V	87.1	Confident	89.6	Confident	76 Å²	76	78.1 Å²	78.1	46%	0.461	42%	0.415	S	S	.	.	S	Bend	trans	-67	137.7	-179.1	172.6	0	0	0	0	110.1	R114 F124	V112-R114 VanDerWaalsContact C-N 3.35Å; V112-R114 PolarHBondContact O-N 3.38Å; V112-F124 HydrophobicContact CB-CB 4.29Å; V112-F124 HydrophobicContact CB-CD1 4.18Å; V112-F124 HydrophobicContact CG2-CD1 3.59Å; V112-F124 HydrophobicContact CG2-CE1 4.23Å; V112-F124 PolarHBondContact N-O 3.34Å
113	T	78.9	Confident	90	Very high	100 Å²	100	75.4 Å²	75.4	61%	0.613	40%	0.396	S	S	*	.	S	Bend	trans	73.6	-60.3	-163.3	77.1	0	0	0	0	115.1	L118	T113-L118 VanDerWaalsContact OG1-CD2 3.26Å; T113-L118 WeakPolarHBondContact OG1-CD2 3.28Å
114	R	85.4	Confident	90.2	Very high	126 Å²	126	75.7 Å²	75.7	48%	0.475	39%	0.389	S	S	.	.			trans	179.3	164	176.3	57.6	-169.2	84.9	156.1	0.1	111.1	F111 V112 L116 G117 L118	F111-R114 PolarHBondContact O-N 2.73Å; V112-R114 VanDerWaalsContact C-N 3.35Å; V112-R114 PolarHBondContact O-N 3.38Å; R114-L116 WeakPolarHBondContact CD-O 3.23Å; R114-L116 VanDerWaalsContact CG-O 3.29Å; R114-L116 WeakPolarHBondContact CG-O 3.42Å; R114-G117 WeakPolarHBondContact CD-O 3.47Å; R114-G117 PolarHBondContact NH1-O 2.93Å; R114-L118 HydrophobicContact CG-CD2 3.62Å; R114-L118 HydrophobicContact CG-CG 3.92Å; R114-L118 WeakPolarHBondContact O-CD2 3.45Å
115	Q	90	Very high	90.4	Very high	79 Å²	79	69.2 Å²	69.2	37%	0.369	36%	0.359	S	S	.	.	S	Bend	trans	-90.4	-29.5	172	-172.5	-179.1	-1.7	0	0	113.7	I90 F111	I90-Q115 HydrophobicContact CB-CG 4.35Å; I90-Q115 PolarHBondContact N-O 2.98Å; I90-Q115 VanDerWaalsContact O-CG 3.27Å; I90-Q115 WeakPolarHBondContact O-CG 3.47Å; I90-Q115 PolarHBondContact O-NE2 2.82Å; F111-Q115 HydrophobicContact CB-CB 4.05Å; F111-Q115 HydrophobicContact CD1-CB 4.18Å; F111-Q115 HydrophobicContact CD1-CG 3.95Å; F111-Q115 HydrophobicContact CD2-CB 3.87Å; F111-Q115 HydrophobicContact CD2-CG 3.94Å; F111-Q115 HydrophobicContact CE1-CG 3.98Å; F111-Q115 HydrophobicContact CE2-CB 4.4Å; F111-Q115 HydrophobicContact CE2-CG 3.97Å; F111-Q115 HydrophobicContact CG-CB 3.77Å; F111-Q115 HydrophobicContact CG-CG 3.95Å; F111-Q115 HydrophobicContact CZ-CG 3.99Å
116	L	93.7	Very high	90.6	Very high	107 Å²	107	69.2 Å²	69.2	56%	0.56	36%	0.359	S	S	*	.	S	Bend	trans	-124.9	147.5	-173.9	-56.8	177.9	0	0	0	110.6	N89 R114	N89-L116 HydrophobicContact CB-CD2 3.67Å; N89-L116 WeakPolarHBondContact OD1-CA 3.42Å; R114-L116 WeakPolarHBondContact CD-O 3.23Å; R114-L116 VanDerWaalsContact CG-O 3.29Å; R114-L116 WeakPolarHBondContact CG-O 3.42Å
117	G	92.1	Very high	90.9	Very high	22 Å²	22	70 Å²	70	23%	0.227	36%	0.363	C	S	.	.	S	Bend	trans	67.1	34.5	178.6	0	0	0	0	0	113.9	Y88 N89 R114	Y88-G117 PolarHBondContact O-N 2.78Å; Y88-G117 VanDerWaalsContact O-N 3.08Å; N89-G117 PolarHBondContact OD1-N 2.91Å; R114-G117 WeakPolarHBondContact CD-O 3.47Å; R114-G117 PolarHBondContact NH1-O 2.93Å
118	L	94.1	Very high	91.5	Very high	2 Å²	2	61.6 Å²	61.6	1%	0.01	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-68	127.8	175.2	-75.1	162.6	0	0	0	110.7	W74 V87 Y88 I90 T113 R114 V123	W74-L118 HydrophobicContact CH2-CD1 4.23Å; V87-L118 CarbonylContact C-O 3.55Å; V87-L118 VanDerWaalsContact CA-O 3.25Å; V87-L118 WeakPolarHBondContact CA-O 3.3Å; V87-L118 WeakPolarHBondContact CB-O 3.34Å; Y88-L118 WeakPolarHBondContact CD2-O 3.44Å; Y88-L118 PolarHBondContact N-O 2.82Å; Y88-L118 WeakPolarHBondContact O-CB 3.42Å; Y88-L118 PolarHBondContact O-N 2.74Å; I90-L118 HydrophobicContact CD1-CD1 4.15Å; I90-L118 HydrophobicContact CG1-CD1 3.72Å; T113-L118 VanDerWaalsContact OG1-CD2 3.26Å; T113-L118 WeakPolarHBondContact OG1-CD2 3.28Å; R114-L118 HydrophobicContact CG-CD2 3.62Å; R114-L118 HydrophobicContact CG-CG 3.92Å; R114-L118 WeakPolarHBondContact O-CD2 3.45Å; L118-V123 HydrophobicContact CD1-CB 4.15Å; L118-V123 HydrophobicContact CD1-CG2 4.33Å
119	T	92.4	Very high	91.8	Very high	99 Å²	99	60.5 Å²	60.5	61%	0.607	31%	0.312	S	S	*	.			trans	-88.9	-24.3	173	46.9	0	0	0	0	112.8	V87	V87-T119 HydrophobicContact CG1-CG2 4.04Å
120	E	93.3	Very high	91.9	Very high	121 Å²	121	60.3 Å²	60.3	57%	0.565	31%	0.312	S	S	*	.	S	Bend	trans	-87.5	148.6	177.1	-66.3	179.1	-154.9	0	0	111	W74 R122	W74-E120 WeakPolarHBondContact CZ2-O 3.46Å; E120-R122 PolarHBondContact O-N 3.23Å; E120-R122 VanDerWaalsContact O-N 3.14Å
121	T	95.2	Very high	91.8	Very high	56 Å²	56	59.9 Å²	59.9	34%	0.344	31%	0.307	S	S	.	.	S	Bend	trans	-87	36.9	176.3	61.6	0	0	0	0	112.6	E73 W74 Y88	E73-T121 WeakPolarHBondContact CA-O 3.19Å; W74-T121 VanDerWaalsContact CE2-CA 3.45Å; W74-T121 PolarHBondContact N-O 3.2Å; W74-T121 WeakPolarHBondContact O-CB 3.3Å; W74-T121 PolarHBondContact O-OG1 2.99Å; W74-T121 VanDerWaalsContact O-OG1 3.07Å; Y88-T121 HydrophobicContact CE2-CG2 3.66Å
122	R	95.2	Very high	91.7	Very high	117 Å²	117	59.7 Å²	59.7	44%	0.442	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	144.1	-176	176	173.9	172.7	142	3.4	110.1	I71 L72 E73 E120	I71-R122 HydrophobicContact CG2-CG 4.34Å; L72-R122 CarbonylContact O-C 3.49Å; L72-R122 VanDerWaalsContact O-CA 3.28Å; L72-R122 WeakPolarHBondContact O-CA 3.4Å; E73-R122 HydrophobicContact CG-CB 4.04Å; E73-R122 HydrophobicContact CG-CG 3.79Å; E73-R122 WeakPolarHBondContact OE1-CD 3.48Å; E73-R122 IonicContact OE1-CZ 3.5Å; E73-R122 IonicContact OE1-NE 2.99Å; E73-R122 IonicContact OE1-NH1 2.65Å; E73-R122 PolarHBondContact OE1-NH1 2.97Å; E120-R122 PolarHBondContact O-N 3.23Å; E120-R122 VanDerWaalsContact O-N 3.14Å
123	V	95.4	Very high	92	Very high	3 Å²	3	57 Å²	57	2%	0.018	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	145	164.4	68.4	0	0	0	0	110.5	I71 L72 W74 I90 F111 L118 I125	I71-V123 WeakPolarHBondContact CA-O 3.44Å; L72-V123 HydrophobicContact CB-CG1 4.05Å; L72-V123 HydrophobicContact CD1-CG1 4.3Å; L72-V123 HydrophobicContact CG-CG1 4.45Å; L72-V123 PolarHBondContact N-O 2.69Å; L72-V123 PolarHBondContact O-N 3.07Å; W74-V123 HydrophobicContact CH2-CB 4.3Å; W74-V123 HydrophobicContact CH2-CG1 4.21Å; W74-V123 HydrophobicContact CZ3-CB 4.46Å; W74-V123 HydrophobicContact CZ3-CG1 4.05Å; I90-V123 HydrophobicContact CD1-CG1 4.26Å; I90-V123 HydrophobicContact CG1-CG1 4.18Å; F111-V123 HydrophobicContact CB-CG2 4.46Å; F111-V123 HydrophobicContact CD1-CG2 4.38Å; L118-V123 HydrophobicContact CD1-CB 4.15Å; L118-V123 HydrophobicContact CD1-CG2 4.33Å; V123-I125 HydrophobicContact CG1-CD1 3.92Å; V123-I125 HydrophobicContact CG1-CG1 3.89Å; V123-I125 HydrophobicContact CG2-CG1 4.22Å
124	F	95.6	Very high	92.7	Very high	77 Å²	77	52.2 Å²	52.2	34%	0.338	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	129.1	166.8	172.8	-79.9	0	0	0	108.3	I71 V112	I71-F124 HydrophobicContact CD1-CD2 4.18Å; I71-F124 HydrophobicContact CG1-CB 4.35Å; I71-F124 HydrophobicContact CG1-CD2 3.63Å; I71-F124 HydrophobicContact CG1-CE2 4.48Å; I71-F124 HydrophobicContact CG1-CG 4.42Å; V112-F124 HydrophobicContact CB-CB 4.29Å; V112-F124 HydrophobicContact CB-CD1 4.18Å; V112-F124 HydrophobicContact CG2-CD1 3.59Å; V112-F124 HydrophobicContact CG2-CE1 4.23Å; V112-F124 PolarHBondContact N-O 3.34Å
125	I	96.6	Very high	93.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	130.9	-174.8	-49.2	177	0	0	0	108.1	S69 V70 L72 I90 V109 D110 F111 V123 L128 F136	S69-I125 CarbonylContact C-O 3.56Å; S69-I125 WeakPolarHBondContact CA-O 3.44Å; S69-I125 WeakPolarHBondContact CB-O 3.36Å; V70-I125 PolarHBondContact N-O 2.87Å; V70-I125 PolarHBondContact O-N 2.99Å; L72-I125 HydrophobicContact CD1-CD1 3.87Å; L72-I125 HydrophobicContact CG-CD1 4.29Å; I90-I125 HydrophobicContact CG2-CD1 4.43Å; V109-I125 HydrophobicContact CG1-CG2 3.59Å; D110-I125 CarbonylContact O-C 3.54Å; D110-I125 VanDerWaalsContact O-CA 3.3Å; D110-I125 WeakPolarHBondContact O-CA 3.42Å; F111-I125 HydrophobicContact CD1-CD1 4.09Å; F111-I125 HydrophobicContact CD1-CG1 3.89Å; F111-I125 HydrophobicContact CD1-CG2 4.29Å; F111-I125 HydrophobicContact CE1-CD1 3.8Å; F111-I125 HydrophobicContact CE1-CG1 4.06Å; F111-I125 HydrophobicContact CE1-CG2 4.07Å; F111-I125 HydrophobicContact CZ-CG2 4.36Å; V123-I125 HydrophobicContact CG1-CD1 3.92Å; V123-I125 HydrophobicContact CG1-CG1 3.89Å; V123-I125 HydrophobicContact CG2-CG1 4.22Å; I125-L128 HydrophobicContact CG2-CD1 4.34Å; I125-L128 HydrophobicContact CG2-CD2 4.2Å; I125-L128 HydrophobicContact CG2-CG 4.37Å; I125-F136 HydrophobicContact CD1-CD1 3.71Å; I125-F136 HydrophobicContact CD1-CE1 3.42Å; I125-F136 VanDerWaalsContact CD1-CE1 3.42Å; I125-F136 HydrophobicContact CD1-CZ 4.16Å; I125-F136 HydrophobicContact CG2-CE1 4.27Å
126	S	93.4	Very high	93.4	Very high	19 Å²	19	42.9 Å²	42.9	13%	0.133	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	172.9	-175.4	42.1	0	0	0	0	113.8	T68 V109 D110 L128	T68-S126 CarbonylContact O-C 3.6Å; V109-S126 WeakPolarHBondContact CA-O 3.33Å; D110-S126 PolarHBondContact N-O 2.81Å; D110-S126 PolarHBondContact O-N 2.83Å; S126-L128 PolarHBondContact O-N 3.05Å
127	N	91.3	Very high	93.5	Very high	71 Å²	71	39.2 Å²	39.2	38%	0.38	21%	0.205	S	C	.	.			trans	63.1	23.3	-174.7	-44	-25.9	0	0	0	114	T68 N108 D110	T68-N127 PolarHBondContact O-N 3.47Å; T68-N127 VanDerWaalsContact O-N 3.09Å; N108-N127 PolarHBondContact ND2-O 3.33Å; N108-N127 WeakPolarHBondContact O-CB 3.32Å; N108-N127 PolarHBondContact O-ND2 2.94Å; D110-N127 PolarHBondContact OD2-ND2 2.8Å
128	L	92.6	Very high	93.8	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.016	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-67.6	149	167.9	-58.1	171.2	0	0	0	109.3	T68 V70 V109 I125 S126 Y134 F136 T161	T68-L128 VanDerWaalsContact CA-O 3.27Å; T68-L128 WeakPolarHBondContact CA-O 3.38Å; T68-L128 VanDerWaalsContact CB-O 3.24Å; T68-L128 WeakPolarHBondContact CB-O 3.35Å; T68-L128 WeakPolarHBondContact CG2-O 3.33Å; T68-L128 PolarHBondContact O-N 3.45Å; V70-L128 HydrophobicContact CB-CD1 4.02Å; V70-L128 HydrophobicContact CG2-CD1 3.6Å; V109-L128 HydrophobicContact CG1-CD2 3.66Å; V109-L128 HydrophobicContact CG2-CD2 3.99Å; I125-L128 HydrophobicContact CG2-CD1 4.34Å; I125-L128 HydrophobicContact CG2-CD2 4.2Å; I125-L128 HydrophobicContact CG2-CG 4.37Å; S126-L128 PolarHBondContact O-N 3.05Å; L128-Y134 HydrophobicContact CB-CD2 4.49Å; L128-Y134 HydrophobicContact CB-CE2 3.82Å; L128-Y134 HydrophobicContact CD2-CD1 4.08Å; L128-Y134 HydrophobicContact CD2-CD2 4.25Å; L128-Y134 HydrophobicContact CD2-CE1 3.79Å; L128-Y134 HydrophobicContact CD2-CE2 3.98Å; L128-Y134 HydrophobicContact CD2-CG 4.29Å; L128-Y134 HydrophobicContact CG-CE2 4.4Å; L128-F136 HydrophobicContact CD1-CZ 4.12Å; L128-F136 HydrophobicContact CD2-CZ 4.24Å; L128-T161 HydrophobicContact CB-CG2 4.04Å; L128-T161 HydrophobicContact CD1-CG2 4.15Å
129	L	90.9	Very high	93.9	Very high	62 Å²	62	40.2 Å²	40.2	33%	0.325	20%	0.204	S	C	.	.	P	Polyproline II helix	trans	-73.6	145.3	172.8	-63.5	-177.1	0	0	0	110.6	T132 Y134 T161	L129-T132 HydrophobicContact CB-CG2 4.39Å; L129-T132 WeakPolarHBondContact CB-OG1 3.22Å; L129-T132 WeakPolarHBondContact O-CB 3.42Å; L129-Y134 PolarHBondContact N-OH 2.98Å; L129-T161 WeakPolarHBondContact O-CB 3.43Å; L129-T161 PolarHBondContact O-OG1 2.81Å
130	A	90.4	Very high	94.1	Very high	8 Å²	8	35.5 Å²	35.5	7%	0.066	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	152.4	174.7	0	0	0	0	0	112.2	E67 T132 A164 N193	E67-A130 HydrophobicContact CB-CB 4.5Å; E67-A130 VanDerWaalsContact O-CA 3.22Å; E67-A130 WeakPolarHBondContact O-CA 3.32Å; A130-T132 PolarHBondContact O-N 2.93Å; A130-T132 VanDerWaalsContact O-N 3.07Å; A130-T132 PolarHBondContact O-OG1 3.43Å; A130-A164 HydrophobicContact CB-CB 3.75Å; A130-N193 HydrophobicContact CB-CB 3.87Å
131	H	91.4	Very high	94.3	Very high	77 Å²	77	30.9 Å²	30.9	36%	0.356	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.2	33.4	-177.1	-161.5	46.7	0	0	0	115.2	T161 N162 Q163	H131-T161 WeakPolarHBondContact CA-O 3.42Å; H131-T161 PolarHBondContact N-OG1 2.96Å; H131-T161 VanDerWaalsContact N-OG1 3.09Å; H131-N162 PolarHBondContact N-O 2.87Å; H131-Q163 HydrophobicContact CB-CG 4.05Å
132	T	90.9	Very high	94.2	Very high	29 Å²	29	28.9 Å²	28.9	18%	0.178	14%	0.142	C	C	.	.			trans	-114.9	137.2	-173.8	-64	0	0	0	0	110.1	K94 L129 A130 Y134 T160 T161	K94-T132 HydrophobicContact CG-CG2 4.24Å; L129-T132 HydrophobicContact CB-CG2 4.39Å; L129-T132 WeakPolarHBondContact CB-OG1 3.22Å; L129-T132 WeakPolarHBondContact O-CB 3.42Å; A130-T132 PolarHBondContact O-N 2.93Å; A130-T132 VanDerWaalsContact O-N 3.07Å; A130-T132 PolarHBondContact O-OG1 3.43Å; T132-Y134 HydrophobicContact CG2-CD2 4.07Å; T132-Y134 HydrophobicContact CG2-CE2 3.51Å; T132-Y134 WeakPolarHBondContact O-CD2 3.47Å; T132-T160 WeakPolarHBondContact O-CA 3.15Å; T132-T161 PolarHBondContact N-OG1 3.45Å; T132-T161 PolarHBondContact O-N 2.87Å; T132-T161 PolarHBondContact O-OG1 2.83Å
133	L	92.6	Very high	94.1	Very high	19 Å²	19	24.5 Å²	24.5	10%	0.099	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	121.2	177.1	-179.3	64.8	0	0	0	110.1	C95 R99 D158	C95-L133 HydrophobicContact CB-CB 4.38Å; C95-L133 HydrophobicContact CB-CD2 3.91Å; C95-L133 HydrophobicContact CB-CG 3.95Å; C95-L133 PolarHBondContact N-O 2.89Å; R99-L133 HydrophobicContact CG-CD2 3.91Å; L133-D158 HydrophobicContact CD1-CB 4.38Å
134	Y	94.2	Very high	94.1	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	154.5	172.2	-69.8	-85.5	0	0	0	110	K93 K94 C105 L128 L129 T132 F136 D158 I159 T161	K93-Y134 CarbonylContact O-C 3.58Å; K93-Y134 VanDerWaalsContact O-CA 3.27Å; K93-Y134 WeakPolarHBondContact O-CA 3.12Å; K94-Y134 HydrophobicContact CB-CD1 4.03Å; K94-Y134 HydrophobicContact CB-CE1 3.82Å; K94-Y134 HydrophobicContact CD-CE1 4.17Å; K94-Y134 HydrophobicContact CG-CD1 4.41Å; K94-Y134 HydrophobicContact CG-CE1 3.91Å; C105-Y134 VanDerWaalsContact SG-CD1 3.53Å; L128-Y134 HydrophobicContact CB-CD2 4.49Å; L128-Y134 HydrophobicContact CB-CE2 3.82Å; L128-Y134 HydrophobicContact CD2-CD1 4.08Å; L128-Y134 HydrophobicContact CD2-CD2 4.25Å; L128-Y134 HydrophobicContact CD2-CE1 3.79Å; L128-Y134 HydrophobicContact CD2-CE2 3.98Å; L128-Y134 HydrophobicContact CD2-CG 4.29Å; L128-Y134 HydrophobicContact CG-CE2 4.4Å; L129-Y134 PolarHBondContact N-OH 2.98Å; T132-Y134 HydrophobicContact CG2-CD2 4.07Å; T132-Y134 HydrophobicContact CG2-CE2 3.51Å; T132-Y134 WeakPolarHBondContact O-CD2 3.47Å; Y134-F136 HydrophobicContact CG-CE2 4.48Å; Y134-F136 HydrophobicContact CG-CZ 4.37Å; Y134-D158 WeakPolarHBondContact O-CA 3.27Å; Y134-I159 PolarHBondContact N-O 2.83Å; Y134-I159 PolarHBondContact O-N 2.89Å; Y134-T161 HydrophobicContact CD2-CG2 4.17Å; Y134-T161 HydrophobicContact CE2-CG2 4.27Å
135	S	95.1	Very high	94	Very high	9 Å²	9	21.8 Å²	21.8	6%	0.063	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	124.7	173.1	-165.1	0	0	0	0	108.2	K93 T156 I157 D158	K93-S135 PolarHBondContact N-O 3.25Å; K93-S135 PolarHBondContact O-N 3.18Å; S135-T156 VanDerWaalsContact OG-CG2 3.23Å; S135-T156 WeakPolarHBondContact OG-CG2 3.44Å; S135-I157 WeakPolarHBondContact CA-O 3.27Å; S135-D158 VanDerWaalsContact CB-OD1 3.25Å; S135-D158 WeakPolarHBondContact CB-OD1 3.35Å; S135-D158 PolarHBondContact OG-OD1 2.85Å
136	F	95.9	Very high	93.7	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	121.8	-176.5	-62.1	-87.1	0	0	0	110	L72 I90 V91 C92 I125 L128 Y134 T156 I157 I159	L72-F136 HydrophobicContact CD1-CB 3.77Å; L72-F136 HydrophobicContact CD1-CD1 4.16Å; L72-F136 HydrophobicContact CD1-CD2 4.47Å; L72-F136 HydrophobicContact CD1-CG 3.9Å; I90-F136 HydrophobicContact CG2-CD1 4.23Å; V91-F136 WeakPolarHBondContact O-CA 3.49Å; C92-F136 HydrophobicContact CB-CD1 4.11Å; C92-F136 HydrophobicContact CB-CE1 4.05Å; C92-F136 WeakPolarHBondContact SG-CE1 3.42Å; I125-F136 HydrophobicContact CD1-CD1 3.71Å; I125-F136 HydrophobicContact CD1-CE1 3.42Å; I125-F136 VanDerWaalsContact CD1-CE1 3.42Å; I125-F136 HydrophobicContact CD1-CZ 4.16Å; I125-F136 HydrophobicContact CG2-CE1 4.27Å; L128-F136 HydrophobicContact CD1-CZ 4.12Å; L128-F136 HydrophobicContact CD2-CZ 4.24Å; Y134-F136 HydrophobicContact CG-CE2 4.48Å; Y134-F136 HydrophobicContact CG-CZ 4.37Å; F136-T156 CarbonylContact O-C 3.54Å; F136-T156 WeakPolarHBondContact O-CA 3.41Å; F136-I157 HydrophobicContact CB-CG2 4.02Å; F136-I157 PolarHBondContact N-O 2.82Å; F136-I157 PolarHBondContact O-N 2.96Å; F136-I159 HydrophobicContact CD2-CD1 3.92Å; F136-I159 HydrophobicContact CD2-CG1 4.44Å; F136-I159 HydrophobicContact CE2-CB 4.33Å; F136-I159 HydrophobicContact CE2-CD1 4.13Å
137	E	96.1	Very high	93.6	Very high	30 Å²	30	29.7 Å²	29.7	14%	0.14	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	110.6	177.3	-46.5	177.9	149.9	0	0	108.7	V91 K93 T156	V91-E137 HydrophobicContact CB-CB 4.07Å; V91-E137 HydrophobicContact CB-CG 4.46Å; V91-E137 HydrophobicContact CG2-CB 4.49Å; V91-E137 PolarHBondContact N-O 2.87Å; V91-E137 PolarHBondContact O-N 2.83Å; K93-E137 WeakPolarHBondContact CE-OE2 3.46Å; K93-E137 IonicContact NZ-OE1 3.03Å; K93-E137 PolarHBondContact NZ-OE1 2.81Å; K93-E137 IonicContact NZ-OE2 3.03Å; K93-E137 PolarHBondContact NZ-OE2 2.87Å; E137-T156 HydrophobicContact CG-CG2 4.01Å
138	I	97.1	Very high	93.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	105.6	179.5	-46.7	-177.3	0	0	0	107.4	P58 V61 L72 W74 I90 H154 V155	P58-I138 HydrophobicContact CB-CG2 4.35Å; P58-I138 WeakPolarHBondContact CD-O 3.41Å; P58-I138 HydrophobicContact CG-CB 4.4Å; P58-I138 HydrophobicContact CG-CG2 3.92Å; P58-I138 WeakPolarHBondContact CG-O 3.44Å; V61-I138 HydrophobicContact CB-CD1 4.5Å; V61-I138 HydrophobicContact CG1-CD1 3.66Å; V61-I138 HydrophobicContact CG2-CD1 3.95Å; L72-I138 HydrophobicContact CB-CD1 4.39Å; L72-I138 HydrophobicContact CD1-CD1 4.14Å; L72-I138 HydrophobicContact CD1-CG1 4.43Å; W74-I138 HydrophobicContact CD2-CD1 4.05Å; W74-I138 HydrophobicContact CD2-CG2 3.9Å; W74-I138 HydrophobicContact CE3-CD1 3.67Å; W74-I138 HydrophobicContact CE3-CG2 4.3Å; W74-I138 HydrophobicContact CG-CD1 4.48Å; W74-I138 HydrophobicContact CG-CG2 4.33Å; W74-I138 HydrophobicContact CH2-CG2 4.47Å; W74-I138 HydrophobicContact CZ2-CG2 4.07Å; W74-I138 HydrophobicContact CZ3-CD1 4.2Å; I90-I138 HydrophobicContact CD1-CB 4.27Å; I90-I138 HydrophobicContact CD1-CG1 4.06Å; I90-I138 HydrophobicContact CD1-CG2 3.83Å; I138-H154 CarbonylContact O-C 3.43Å; I138-H154 WeakPolarHBondContact O-CA 3.2Å; I138-H154 WeakPolarHBondContact O-CB 3.31Å; I138-V155 HydrophobicContact CB-CG1 4.03Å; I138-V155 PolarHBondContact N-O 3.23Å; I138-V155 PolarHBondContact O-N 3.4Å
139	Q	97.2	Very high	93.1	Very high	44 Å²	44	30.7 Å²	30.7	21%	0.206	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	140.8	-179.7	-40	-173.5	-33.6	0	0	110.2	Y88 N89 V91 A152 H154	Y88-Q139 VanDerWaalsContact CA-O 3.24Å; Y88-Q139 WeakPolarHBondContact CA-O 3.46Å; N89-Q139 HydrophobicContact CB-CB 4.25Å; N89-Q139 HydrophobicContact CB-CG 4.48Å; N89-Q139 PolarHBondContact N-O 2.97Å; N89-Q139 PolarHBondContact O-N 2.88Å; V91-Q139 HydrophobicContact CG2-CG 4.39Å; Q139-A152 HydrophobicContact CB-CB 4.08Å; Q139-H154 HydrophobicContact CB-CB 4.14Å; Q139-H154 HydrophobicContact CG-CB 3.89Å
140	A	96.2	Very high	92.9	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	135.2	165	0	0	0	0	0	110.1	P55 P58 P77 V86 Y88 Q153	P55-A140 HydrophobicContact CB-CB 4.17Å; P55-A140 HydrophobicContact CG-CB 3.81Å; P55-A140 WeakPolarHBondContact CG-O 3.39Å; P58-A140 HydrophobicContact CG-CB 4.08Å; P77-A140 HydrophobicContact CG-CB 3.63Å; V86-A140 HydrophobicContact CG1-CB 4.48Å; Y88-A140 HydrophobicContact CD1-CB 4.24Å; Y88-A140 HydrophobicContact CE1-CB 4.16Å; A140-Q153 PolarHBondContact N-O 2.59Å
141	V	96.3	Very high	92.8	Very high	25 Å²	25	39.7 Å²	39.7	15%	0.152	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	157.8	174.1	-63.8	0	0	0	0	110.6	V86 V87 S145 A152	V86-V141 CarbonylContact C-O 3.48Å; V86-V141 VanDerWaalsContact CA-O 3.31Å; V86-V141 WeakPolarHBondContact CA-O 3.33Å; V87-V141 HydrophobicContact CG2-CG2 3.65Å; V87-V141 PolarHBondContact N-O 3.44Å; V87-V141 WeakPolarHBondContact O-CG2 3.22Å; V87-V141 PolarHBondContact O-N 3.19Å; V87-V141 VanDerWaalsContact O-O 3.11Å; V141-S145 WeakPolarHBondContact CA-OG 3.34Å; V141-A152 HydrophobicContact CG1-CB 3.59Å
142	N	95	Very high	92.7	Very high	14 Å²	14	37.1 Å²	37.1	8%	0.075	21%	0.207	C	C	.	.			trans	-143.4	179.9	179.8	74.8	-5.9	0	0	0	110	S53 P55 T80 D85 V86 V144 S145	S53-N142 PolarHBondContact O-ND2 3.37Å; P55-N142 HydrophobicContact CG-CB 4.46Å; T80-N142 PolarHBondContact O-ND2 3.48Å; D85-N142 WeakPolarHBondContact OD1-CB 3.27Å; V86-N142 HydrophobicContact CG2-CB 4.2Å; N142-V144 PolarHBondContact O-N 2.66Å; N142-V144 WeakPolarHBondContact OD1-CG2 3.47Å; N142-V144 PolarHBondContact OD1-N 3.11Å; N142-S145 PolarHBondContact N-OG 3.49Å; N142-S145 WeakPolarHBondContact O-CB 3.35Å; N142-S145 PolarHBondContact O-N 2.57Å; N142-S145 PolarHBondContact O-OG 3.49Å; N142-S145 PolarHBondContact OD1-N 2.83Å; N142-S145 VanDerWaalsContact OD1-N 3.16Å; N142-S145 PolarHBondContact OD1-OG 2.75Å
143	G	92.7	Very high	92.8	Very high	25 Å²	25	40 Å²	40	26%	0.258	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-9.7	-175.8	0	0	0	0	0	116.9	G42 D85	G42-G143 WeakPolarHBondContact CA-O 3.43Å; D85-G143 VanDerWaalsContact CG-N 3.33Å; D85-G143 PolarHBondContact OD1-N 3.38Å; D85-G143 WeakPolarHBondContact OD2-CA 3.47Å; D85-G143 PolarHBondContact OD2-N 3.03Å
144	V	94.6	Very high	92.9	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.7	-0.1	174.3	-69.6	0	0	0	0	114.3	Y40 T52 S53 N142 N146 K147	Y40-V144 HydrophobicContact CD2-CB 4.44Å; T52-V144 WeakPolarHBondContact OG1-CG1 3.25Å; S53-V144 WeakPolarHBondContact O-CG2 3.31Å; N142-V144 PolarHBondContact O-N 2.66Å; N142-V144 WeakPolarHBondContact OD1-CG2 3.47Å; N142-V144 PolarHBondContact OD1-N 3.11Å; V144-N146 PolarHBondContact O-N 3.04Å; V144-K147 WeakPolarHBondContact O-CB 3.33Å; V144-K147 PolarHBondContact O-N 2.68Å
145	S	93.4	Very high	93	Very high	23 Å²	23	44.8 Å²	44.8	16%	0.161	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-22.2	-175.2	-65.7	0	0	0	0	113.7	P55 V141 N142 K147	P55-S145 WeakPolarHBondContact CD-OG 3.34Å; V141-S145 WeakPolarHBondContact CA-OG 3.34Å; N142-S145 PolarHBondContact N-OG 3.49Å; N142-S145 WeakPolarHBondContact O-CB 3.35Å; N142-S145 PolarHBondContact O-N 2.57Å; N142-S145 PolarHBondContact O-OG 3.49Å; N142-S145 PolarHBondContact OD1-N 2.83Å; N142-S145 VanDerWaalsContact OD1-N 3.16Å; N142-S145 PolarHBondContact OD1-OG 2.75Å; S145-K147 VanDerWaalsContact C-N 3.29Å
146	N	91	Very high	93	Very high	112 Å²	112	47.4 Å²	47.4	60%	0.599	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-7.1	170.6	69.7	-14	0	0	0	114	V144	V144-N146 PolarHBondContact O-N 3.04Å
147	K	91.1	Very high	92.9	Very high	73 Å²	73	48.8 Å²	48.8	32%	0.317	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-13.9	177.5	-49.9	-54.5	178.1	-175.4	0	113.1	Y40 D43 V144 S145	Y40-K147 HydrophobicContact CD1-CB 3.75Å; Y40-K147 WeakPolarHBondContact CD1-O 3.41Å; Y40-K147 VanDerWaalsContact CE1-O 3.29Å; Y40-K147 WeakPolarHBondContact CE1-O 3.46Å; Y40-K147 HydrophobicContact CG-CB 3.73Å; D43-K147 IonicContact OD1-NZ 2.76Å; D43-K147 PolarHBondContact OD1-NZ 3.42Å; D43-K147 VanDerWaalsContact OD2-CE 3.27Å; D43-K147 WeakPolarHBondContact OD2-CE 3.32Å; D43-K147 IonicContact OD2-NZ 3.82Å; D43-K147 PolarHBondContact OD2-NZ 2.74Å; V144-K147 WeakPolarHBondContact O-CB 3.33Å; V144-K147 PolarHBondContact O-N 2.68Å; S145-K147 VanDerWaalsContact C-N 3.29Å
148	S	87.1	Confident	92.8	Very high	18 Å²	18	50.7 Å²	50.7	13%	0.126	28%	0.276	C	S	.	.			trans	-78.6	134.8	177.7	171.2	0	0	0	0	111.1	V54 Y150	V54-S148 VanDerWaalsContact CG1-CB 3.46Å; S148-Y150 PolarHBondContact O-N 2.66Å; S148-Y150 PolarHBondContact OG-N 2.9Å; S148-Y150 VanDerWaalsContact OG-N 3.09Å; S148-Y150 PolarHBondContact OG-O 3.16Å
149	P	86.4	Confident	92.6	Very high	76 Å²	76	51 Å²	51	49%	0.494	28%	0.278	S	S	.	.	S	Bend	trans	-74.7	-13.8	170.9	33	-35.2	0	0	0	112.4	Y40	Y40-P149 WeakPolarHBondContact OH-CD 3.28Å
150	Y	86.2	Confident	92.4	Very high	157 Å²	157	52.4 Å²	52.4	62%	0.616	29%	0.289	S	S	*	.	S	Bend	trans	-92.5	142.1	176.8	-56.5	-71.7	0	0	0	111.3	S148	S148-Y150 PolarHBondContact O-N 2.66Å; S148-Y150 PolarHBondContact OG-N 2.9Å; S148-Y150 VanDerWaalsContact OG-N 3.09Å; S148-Y150 PolarHBondContact OG-O 3.16Å
151	P	87.7	Confident	92.2	Very high	102 Å²	102	52.5 Å²	52.5	66%	0.662	29%	0.29	S	S	*	.	P	Polyproline II helix	trans	-64.1	155	178.7	27.9	-35.8	0	0	0	112.7	Q153	P151-Q153 PolarHBondContact O-N 2.9Å; P151-Q153 PolarHBondContact O-NE2 2.85Å
152	A	89.6	Confident	92	Very high	24 Å²	24	54.8 Å²	54.8	20%	0.198	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-53	132.8	177.7	0	0	0	0	0	111.8	Q139 V141 H154	Q139-A152 HydrophobicContact CB-CB 4.08Å; V141-A152 HydrophobicContact CG1-CB 3.59Å; A152-H154 PolarHBondContact O-N 3.19Å; A152-H154 PolarHBondContact O-ND1 3.07Å
153	Q	92.6	Very high	91.8	Very high	90 Å²	90	56 Å²	56	42%	0.421	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-71.2	129.8	179.9	-63.2	-59	-72.8	0	0	109.6	A140 P151	A140-Q153 PolarHBondContact N-O 2.59Å; P151-Q153 PolarHBondContact O-N 2.9Å; P151-Q153 PolarHBondContact O-NE2 2.85Å
154	H	95.4	Very high	91.8	Very high	78 Å²	78	55.8 Å²	55.8	36%	0.361	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	166.4	-171	65.4	-91.6	0	0	0	112.3	S57 I138 Q139 A152 T156	S57-H154 VanDerWaalsContact CB-O 3.24Å; S57-H154 WeakPolarHBondContact CB-O 3.48Å; I138-H154 CarbonylContact O-C 3.43Å; I138-H154 WeakPolarHBondContact O-CA 3.2Å; I138-H154 WeakPolarHBondContact O-CB 3.31Å; Q139-H154 HydrophobicContact CB-CB 4.14Å; Q139-H154 HydrophobicContact CG-CB 3.89Å; A152-H154 PolarHBondContact O-N 3.19Å; A152-H154 PolarHBondContact O-ND1 3.07Å; H154-T156 PolarHBondContact CD2-OG1 2.82Å
155	V	95.9	Very high	91.6	Very high	41 Å²	41	57.7 Å²	57.7	25%	0.248	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	134.7	171.1	55.6	0	0	0	0	108.3	P58 V61 I138	P58-V155 HydrophobicContact CB-CG1 3.79Å; P58-V155 HydrophobicContact CG-CG1 4.15Å; P58-V155 WeakPolarHBondContact O-CG1 3.26Å; V61-V155 HydrophobicContact CG2-CB 4.25Å; V61-V155 HydrophobicContact CG2-CG1 3.39Å; V61-V155 HydrophobicContact CG2-CG2 3.8Å; I138-V155 HydrophobicContact CB-CG1 4.03Å; I138-V155 PolarHBondContact N-O 3.23Å; I138-V155 PolarHBondContact O-N 3.4Å
156	T	94.7	Very high	91.6	Very high	63 Å²	63	57 Å²	57	39%	0.387	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	135.7	-175.5	-52.5	0	0	0	0	110.3	S135 F136 E137 H154	S135-T156 VanDerWaalsContact OG-CG2 3.23Å; S135-T156 WeakPolarHBondContact OG-CG2 3.44Å; F136-T156 CarbonylContact O-C 3.54Å; F136-T156 WeakPolarHBondContact O-CA 3.41Å; E137-T156 HydrophobicContact CG-CG2 4.01Å; H154-T156 PolarHBondContact CD2-OG1 2.82Å
157	I	94.4	Very high	91.7	Very high	30 Å²	30	52.9 Å²	52.9	15%	0.154	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	123	173.8	-169.3	169.8	0	0	0	110.7	V61 L72 S135 F136 I159	V61-I157 HydrophobicContact CG1-CB 4.39Å; V61-I157 HydrophobicContact CG1-CD1 3.96Å; V61-I157 HydrophobicContact CG1-CG2 4.09Å; L72-I157 HydrophobicContact CD2-CG2 4.04Å; S135-I157 WeakPolarHBondContact CA-O 3.27Å; F136-I157 HydrophobicContact CB-CG2 4.02Å; F136-I157 PolarHBondContact N-O 2.82Å; F136-I157 PolarHBondContact O-N 2.96Å; I157-I159 HydrophobicContact CD1-CD1 4.28Å; I157-I159 HydrophobicContact CD1-CG1 4.38Å; I157-I159 HydrophobicContact CG1-CD1 4.25Å; I157-I159 HydrophobicContact CG1-CG1 3.99Å; I157-I159 HydrophobicContact CG2-CD1 4.03Å; I157-I159 HydrophobicContact CG2-CG1 4.41Å
158	D	93.9	Very high	91.6	Very high	69 Å²	69	53.4 Å²	53.4	37%	0.369	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	124.2	174.7	-77.6	-3.1	0	0	0	109.5	R99 L133 Y134 S135	R99-D158 IonicContact CZ-OD2 3.45Å; R99-D158 IonicContact NE-OD2 2.75Å; R99-D158 IonicContact NH1-OD2 3.5Å; R99-D158 PolarHBondContact NH1-OD2 3.37Å; L133-D158 HydrophobicContact CD1-CB 4.38Å; Y134-D158 WeakPolarHBondContact O-CA 3.27Å; S135-D158 VanDerWaalsContact CB-OD1 3.25Å; S135-D158 WeakPolarHBondContact CB-OD1 3.35Å; S135-D158 PolarHBondContact OG-OD1 2.85Å
159	I	93.4	Very high	91.7	Very high	8 Å²	8	52.6 Å²	52.6	4%	0.041	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	121.1	-173.4	-62.7	176.6	0	0	0	109.6	S63 V65 V70 L72 Y134 F136 I157	S63-I159 VanDerWaalsContact CB-CD1 3.46Å; V65-I159 HydrophobicContact CB-CG2 4.39Å; V65-I159 HydrophobicContact CG1-CG2 3.84Å; V65-I159 HydrophobicContact CG2-CG2 3.57Å; V70-I159 HydrophobicContact CG1-CD1 3.76Å; V70-I159 HydrophobicContact CG2-CG2 3.94Å; L72-I159 HydrophobicContact CD2-CD1 3.6Å; Y134-I159 PolarHBondContact N-O 2.83Å; Y134-I159 PolarHBondContact O-N 2.89Å; F136-I159 HydrophobicContact CD2-CD1 3.92Å; F136-I159 HydrophobicContact CD2-CG1 4.44Å; F136-I159 HydrophobicContact CE2-CB 4.33Å; F136-I159 HydrophobicContact CE2-CD1 4.13Å; I157-I159 HydrophobicContact CD1-CD1 4.28Å; I157-I159 HydrophobicContact CD1-CG1 4.38Å; I157-I159 HydrophobicContact CG1-CD1 4.25Å; I157-I159 HydrophobicContact CG1-CG1 3.99Å; I157-I159 HydrophobicContact CG2-CD1 4.03Å; I157-I159 HydrophobicContact CG2-CG1 4.41Å
160	T	92.6	Very high	91.1	Very high	72 Å²	72	51.4 Å²	51.4	44%	0.442	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	124.2	163.9	-49.9	0	0	0	0	108.7	T132	T132-T160 WeakPolarHBondContact O-CA 3.15Å
161	T	92.4	Very high	90.8	Very high	3 Å²	3	46.8 Å²	46.8	2%	0.018	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-63.7	156.5	173.3	48.9	0	0	0	0	112	E67 L128 L129 H131 T132 Y134	E67-T161 WeakPolarHBondContact O-CB 3.44Å; L128-T161 HydrophobicContact CB-CG2 4.04Å; L128-T161 HydrophobicContact CD1-CG2 4.15Å; L129-T161 WeakPolarHBondContact O-CB 3.43Å; L129-T161 PolarHBondContact O-OG1 2.81Å; H131-T161 WeakPolarHBondContact CA-O 3.42Å; H131-T161 PolarHBondContact N-OG1 2.96Å; H131-T161 VanDerWaalsContact N-OG1 3.09Å; T132-T161 PolarHBondContact N-OG1 3.45Å; T132-T161 PolarHBondContact O-N 2.87Å; T132-T161 PolarHBondContact O-OG1 2.83Å; Y134-T161 HydrophobicContact CD2-CG2 4.17Å; Y134-T161 HydrophobicContact CE2-CG2 4.27Å
162	N	91.5	Very high	90.6	Very high	72 Å²	72	42 Å²	42	39%	0.385	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-64.8	158.9	179	-64.2	-23.8	0	0	0	111	V65 N66 E67 H131	V65-N162 PolarHBondContact O-ND2 3.05Å; N66-N162 WeakPolarHBondContact CA-ND2 3.5Å; N66-N162 PolarHBondContact O-N 3.42Å; E67-N162 HydrophobicContact CB-CB 4.44Å; E67-N162 HydrophobicContact CG-CB 4.17Å; H131-N162 PolarHBondContact N-O 2.87Å
163	Q	91.9	Very high	90	Very high	41 Å²	41	43.9 Å²	43.9	19%	0.192	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-71.7	143.8	170.5	-62.1	-172.4	46.3	0	0	109.8	H131 N193 V243 A244	H131-Q163 HydrophobicContact CB-CG 4.05Å; Q163-N193 CarbonylContact C-O 3.57Å; Q163-N193 WeakPolarHBondContact CA-O 3.43Å; Q163-N193 WeakPolarHBondContact CB-O 3.23Å; Q163-V243 HydrophobicContact CB-CG2 3.98Å; Q163-V243 HydrophobicContact CG-CG2 4.2Å; Q163-A244 VanDerWaalsContact O-CB 3.23Å; Q163-A244 WeakPolarHBondContact O-CB 3.39Å
164	A	91.3	Very high	89.8	Confident	19 Å²	19	43.3 Å²	43.3	16%	0.157	24%	0.241	C	C	.	.			trans	-117.5	175.7	170.9	0	0	0	0	0	110.8	E67 A130 N193 T242	E67-A164 HydrophobicContact CB-CB 3.92Å; E67-A164 HydrophobicContact CG-CB 4.15Å; A130-A164 HydrophobicContact CB-CB 3.75Å; A164-N193 HydrophobicContact CB-CB 3.98Å; A164-N193 PolarHBondContact N-O 2.79Å; A164-T242 PolarHBondContact O-OG1 3.29Å
165	A	91.8	Very high	88.8	Confident	41 Å²	41	44.9 Å²	44.9	34%	0.339	25%	0.251	S	S	.	.			trans	-61.1	138.4	166.9	0	0	0	0	0	110.6	N193 F246	A165-N193 PolarHBondContact O-ND2 2.83Å; A165-F246 WeakPolarHBondContact CB-O 3.45Å
166	P	93.8	Very high	88.1	Confident	7 Å²	7	45.2 Å²	45.2	5%	0.045	26%	0.255	C	S	.	.			trans	-60.8	160.1	177	-25.7	34.3	0	0	0	114.2	P189 I196 A240 T242 G247	P166-P189 HydrophobicContact CB-CB 4.15Å; P166-P189 HydrophobicContact CB-CG 3.9Å; P166-I196 HydrophobicContact CB-CD1 4.15Å; P166-I196 HydrophobicContact CG-CD1 3.56Å; P166-A240 HydrophobicContact CB-CB 3.99Å; P166-A240 HydrophobicContact CG-CB 3.9Å; P166-T242 HydrophobicContact CG-CG2 3.71Å; P166-G247 VanDerWaalsContact O-CA 3.23Å; P166-G247 WeakPolarHBondContact O-CA 3.34Å
167	S	91.2	Very high	87.6	Confident	27 Å²	27	43 Å²	43	19%	0.189	24%	0.242	C	C	.	.			trans	-61.4	174	163.3	69.6	0	0	0	0	111.8	P189 E190 Q191	S167-P189 WeakPolarHBondContact OG-CB 3.32Å; S167-E190 PolarHBondContact OG-N 2.77Å; S167-Q191 PolarHBondContact N-O 3.03Å; S167-Q191 PolarHBondContact OG-N 2.91Å; S167-Q191 VanDerWaalsContact OG-N 3.1Å; S167-Q191 PolarHBondContact OG-O 3.18Å
168	I	90.5	Very high	87.3	Confident	84 Å²	84	43 Å²	43	43%	0.431	24%	0.244	S	C	.	.			trans	-58.9	149.7	166.7	58.7	174.6	0	0	0	110.5	K248 Y249	I168-K248 HydrophobicContact CG2-CB 3.72Å; I168-Y249 WeakPolarHBondContact CG2-O 3.39Å
169	V	88.2	Confident	87.1	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.236	C	C	.	.			trans	-75.1	127.4	160.7	172.7	0	0	0	0	107.2	I171 W186 P189 Y199 V238 S250	V169-I171 WeakPolarHBondContact CG1-O 3.48Å; V169-W186 HydrophobicContact CG1-CB 3.59Å; V169-W186 HydrophobicContact CG1-CG 3.87Å; V169-P189 HydrophobicContact CG2-CG 4.04Å; V169-Y199 HydrophobicContact CG2-CD1 4.37Å; V169-Y199 HydrophobicContact CG2-CE1 4.15Å; V169-V238 HydrophobicContact CB-CG1 3.75Å; V169-V238 HydrophobicContact CG1-CG1 3.71Å; V169-V238 HydrophobicContact CG2-CG1 4.03Å; V169-S250 VanDerWaalsContact O-CB 3.3Å; V169-S250 WeakPolarHBondContact O-CB 3.4Å
170	P	73.4	Confident	87	Confident	51 Å²	51	45.7 Å²	45.7	33%	0.331	26%	0.257	S	S	.	.			trans	-75.5	-30.3	-169.7	27.5	-34.9	0	0	0	114	P187	P170-P187 HydrophobicContact CG-CG 3.79Å
171	I	80.1	Confident	87	Confident	60 Å²	60	42.2 Å²	42.2	31%	0.308	24%	0.236	S	C	.	.			trans	-157.3	156	-175.2	-161.9	167.4	0	0	0	111.5	V169 W186 P187 M253	V169-I171 WeakPolarHBondContact CG1-O 3.48Å; I171-W186 WeakPolarHBondContact O-CB 3.3Å; I171-P187 HydrophobicContact CG2-CG 4.11Å; I171-P187 WeakPolarHBondContact O-CD 3.4Å; I171-M253 HydrophobicContact CG1-CE 3.73Å; I171-M253 HydrophobicContact CG1-SD 4.42Å
172	M	84.7	Confident	87.1	Confident	3 Å²	3	42.1 Å²	42.1	2%	0.015	24%	0.235	C	C	.	.			trans	-124.4	141	165.9	-71	173.8	-76.8	0	0	109.5	L184 S185 W186 V236 V238 M253 F255	M172-L184 HydrophobicContact SD-CD1 3.97Å; M172-S185 CarbonylContact C-O 3.54Å; M172-S185 WeakPolarHBondContact CA-O 3.27Å; M172-W186 HydrophobicContact CG-CB 4.02Å; M172-W186 HydrophobicContact CG-CD2 4.48Å; M172-W186 HydrophobicContact CG-CE3 4.11Å; M172-W186 HydrophobicContact CG-CG 4.46Å; M172-V236 HydrophobicContact CE-CB 4.31Å; M172-V236 HydrophobicContact CE-CG1 4.16Å; M172-V236 HydrophobicContact SD-CG1 4.05Å; M172-V238 HydrophobicContact CE-CB 4.46Å; M172-V238 HydrophobicContact CE-CG1 4.1Å; M172-V238 HydrophobicContact CG-CG1 3.68Å; M172-V238 HydrophobicContact SD-CB 3.74Å; M172-V238 HydrophobicContact SD-CG1 3.5Å; M172-V238 VanDerWaalsContact SD-CG1 3.5Å; M172-M253 HydrophobicContact CB-CE 4.39Å; M172-M253 HydrophobicContact CB-SD 3.87Å; M172-M253 HydrophobicContact CE-CB 4.05Å; M172-M253 HydrophobicContact CE-CG 4.03Å; M172-M253 HydrophobicContact CE-SD 3.75Å; M172-M253 HydrophobicContact CG-SD 4.38Å; M172-M253 PolarHBondContact N-SD 3.48Å; M172-M253 WeakPolarHBondContact O-CE 3.05Å; M172-F255 HydrophobicContact CB-CE2 4.09Å; M172-F255 HydrophobicContact CB-CZ 3.68Å; M172-F255 HydrophobicContact CE-CE2 4.17Å; M172-F255 WeakPolarHBondContact O-CZ 3.43Å; M172-F255 HydrophobicContact SD-CE2 4.47Å
173	H	77.1	Confident	87	Confident	63 Å²	63	39.7 Å²	39.7	29%	0.292	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	139.3	175.7	-56.9	-86.6	0	0	0	110.2	L184 S185 A409	H173-L184 CarbonylContact O-C 3.2Å; H173-L184 VanDerWaalsContact O-CA 3.27Å; H173-L184 WeakPolarHBondContact O-CA 3.25Å; H173-S185 PolarHBondContact N-O 2.89Å; H173-S185 PolarHBondContact O-N 2.85Å; H173-A409 PolarHBondContact ND1-O 2.57Å
174	Q	86.6	Confident	86.9	Confident	77 Å²	77	37.8 Å²	37.8	36%	0.36	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	111.8	172.9	-169.7	175.1	-70.4	0	0	109.2	F182 T183 L184 F255 Q256	Q174-F182 HydrophobicContact CG-CB 4.23Å; Q174-T183 CarbonylContact C-O 3.59Å; Q174-L184 HydrophobicContact CB-CD2 4.03Å; Q174-L184 HydrophobicContact CG-CD2 4.23Å; Q174-F255 HydrophobicContact CB-CD1 3.87Å; Q174-F255 HydrophobicContact CB-CE1 4.13Å; Q174-F255 HydrophobicContact CG-CD1 4.47Å; Q174-Q256 PolarHBondContact NE2-O 2.81Å
175	I	75.9	Confident	86.8	Confident	111 Å²	111	38 Å²	38	57%	0.569	21%	0.214	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-79.8	-41.5	178.6	-61.6	169.7	0	0	0	110.8	T183 S185 T222	I175-T183 PolarHBondContact N-O 3.49Å; I175-S185 VanDerWaalsContact CD1-CB 3.42Å; I175-T222 HydrophobicContact CD1-CG2 4.23Å
176	S	79.8	Confident	86.9	Confident	48 Å²	48	36.2 Å²	36.2	34%	0.336	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	154.3	-178.5	69.5	0	0	0	0	110.5	F182 T183	S176-F182 CarbonylContact O-C 3.43Å; S176-F182 WeakPolarHBondContact O-CA 3.32Å; S176-F182 WeakPolarHBondContact O-CB 3.23Å; S176-T183 PolarHBondContact O-N 3.09Å; S176-T183 VanDerWaalsContact OG-CB 3.31Å; S176-T183 WeakPolarHBondContact OG-CB 3.48Å; S176-T183 PolarHBondContact OG-OG1 2.89Å
177	S	85.5	Confident	86.5	Confident	16 Å²	16	38.5 Å²	38.5	11%	0.112	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	157.2	172.9	-159.8	0	0	0	0	110	Q256 T257	S177-Q256 PolarHBondContact OG-O 2.66Å; S177-T257 WeakPolarHBondContact OG-CA 3.47Å
178	T	88.4	Confident	86.3	Confident	30 Å²	30	43 Å²	43	18%	0.184	23%	0.232	C	C	.	.			trans	-136.6	-178.4	167.1	72.7	0	0	0	0	108	N180 S181 T257 L258	T178-N180 PolarHBondContact O-N 2.82Å; T178-N180 PolarHBondContact OG1-N 2.83Å; T178-N180 VanDerWaalsContact OG1-N 3.1Å; T178-N180 PolarHBondContact OG1-OD1 2.86Å; T178-S181 WeakPolarHBondContact CG2-OG 3.38Å; T178-S181 PolarHBondContact N-O 3.27Å; T178-S181 PolarHBondContact OG1-N 3.14Å; T178-S181 PolarHBondContact OG1-O 3Å; T178-S181 PolarHBondContact OG1-OG 3.22Å; T178-T257 CarbonylContact O-C 3.51Å; T178-T257 WeakPolarHBondContact O-CA 3.47Å; T178-T257 VanDerWaalsContact O-CB 3.31Å; T178-T257 WeakPolarHBondContact O-CB 3.38Å; T178-L258 PolarHBondContact O-N 3.37Å
179	M	88.8	Confident	86.2	Confident	45 Å²	45	39.2 Å²	39.2	22%	0.222	21%	0.213	C	C	.	.	S	Bend	trans	-66.4	-10.4	171.1	-61.4	174.8	68.7	0	0	113.9	R229 P230 L258 D260 F263	M179-R229 CarbonylContact O-C 3.56Å; M179-P230 HydrophobicContact CB-CB 4.22Å; M179-P230 HydrophobicContact CB-CG 4.22Å; M179-P230 HydrophobicContact CE-CB 4.3Å; M179-P230 HydrophobicContact CE-CG 4.34Å; M179-P230 WeakPolarHBondContact O-CA 3.3Å; M179-P230 WeakPolarHBondContact O-CD 3.05Å; M179-P230 VanDerWaalsContact O-CG 3.27Å; M179-P230 WeakPolarHBondContact O-CG 3.25Å; M179-P230 VanDerWaalsContact O-N 3.1Å; M179-L258 HydrophobicContact CG-CB 4.47Å; M179-D260 HydrophobicContact CE-CB 3.62Å; M179-F263 HydrophobicContact CG-CB 3.89Å; M179-F263 HydrophobicContact CG-CD1 4.43Å; M179-F263 HydrophobicContact CG-CG 4.08Å; M179-F263 HydrophobicContact SD-CB 3.96Å; M179-F263 HydrophobicContact SD-CD1 3.74Å; M179-F263 HydrophobicContact SD-CG 3.96Å
180	N	92.1	Very high	86	Confident	89 Å²	89	47 Å²	47	48%	0.476	25%	0.249	S	C	.	.	S	Bend	trans	-143.1	6.1	-172.8	69.9	-17.6	0	0	0	115.1	T178 G227 L228	T178-N180 PolarHBondContact O-N 2.82Å; T178-N180 PolarHBondContact OG1-N 2.83Å; T178-N180 VanDerWaalsContact OG1-N 3.1Å; T178-N180 PolarHBondContact OG1-OD1 2.86Å; N180-G227 PolarHBondContact O-N 2.95Å; N180-G227 VanDerWaalsContact O-N 3.16Å; N180-L228 WeakPolarHBondContact CA-O 3.44Å; N180-L228 PolarHBondContact O-N 2.98Å
181	S	92	Very high	86.6	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	160.3	-179	66.8	0	0	0	0	111.4	T178 R224 V225	T178-S181 WeakPolarHBondContact CG2-OG 3.38Å; T178-S181 PolarHBondContact N-O 3.27Å; T178-S181 PolarHBondContact OG1-N 3.14Å; T178-S181 PolarHBondContact OG1-O 3Å; T178-S181 PolarHBondContact OG1-OG 3.22Å; S181-R224 PolarHBondContact OG-NH1 2.87Å; S181-R224 PolarHBondContact OG-NH2 2.78Å; S181-V225 CarbonylContact C-O 3.59Å; S181-V225 WeakPolarHBondContact CA-O 3.34Å; S181-V225 WeakPolarHBondContact CB-O 3.06Å
182	F	93.7	Very high	86.9	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	154.5	160.3	50.9	-117.6	0	0	0	111.1	Q174 S176 L184 V225 L228 Y234 V236 F255 T257	Q174-F182 HydrophobicContact CG-CB 4.23Å; S176-F182 CarbonylContact O-C 3.43Å; S176-F182 WeakPolarHBondContact O-CA 3.32Å; S176-F182 WeakPolarHBondContact O-CB 3.23Å; F182-L184 HydrophobicContact CD2-CD1 4.3Å; F182-L184 HydrophobicContact CD2-CD2 3.68Å; F182-L184 HydrophobicContact CD2-CG 3.76Å; F182-L184 HydrophobicContact CE2-CD1 3.87Å; F182-L184 HydrophobicContact CE2-CD2 4Å; F182-L184 HydrophobicContact CE2-CG 3.86Å; F182-V225 HydrophobicContact CD2-CB 4.05Å; F182-V225 HydrophobicContact CD2-CG2 4.11Å; F182-V225 HydrophobicContact CE2-CB 3.79Å; F182-V225 HydrophobicContact CE2-CG1 4.4Å; F182-V225 HydrophobicContact CE2-CG2 3.69Å; F182-V225 HydrophobicContact CZ-CB 4.46Å; F182-V225 PolarHBondContact N-O 3.48Å; F182-V225 PolarHBondContact O-N 2.93Å; F182-L228 HydrophobicContact CD1-CD1 3.48Å; F182-L228 VanDerWaalsContact CD1-CD1 3.48Å; F182-L228 HydrophobicContact CE1-CD1 3.35Å; F182-L228 HydrophobicContact CE2-CD1 4.42Å; F182-L228 HydrophobicContact CG-CD1 4.09Å; F182-L228 HydrophobicContact CZ-CD1 3.86Å; F182-Y234 HydrophobicContact CE1-CD2 4.13Å; F182-Y234 HydrophobicContact CE1-CG 4.33Å; F182-V236 HydrophobicContact CE2-CG2 4.1Å; F182-V236 HydrophobicContact CZ-CG2 3.84Å; F182-F255 HydrophobicContact CD1-CB 4.14Å; F182-F255 HydrophobicContact CD2-CB 4.49Å; F182-F255 HydrophobicContact CE1-CB 3.7Å; F182-F255 HydrophobicContact CE2-CB 4.1Å; F182-F255 HydrophobicContact CZ-CB 3.7Å; F182-T257 HydrophobicContact CD1-CG2 4.38Å
183	T	89.8	Confident	87.2	Confident	22 Å²	22	50.1 Å²	50.1	14%	0.135	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	120.3	175.9	-46.7	0	0	0	0	108.9	Q174 I175 S176 T222 A223 R224	Q174-T183 CarbonylContact C-O 3.59Å; I175-T183 PolarHBondContact N-O 3.49Å; S176-T183 PolarHBondContact O-N 3.09Å; S176-T183 VanDerWaalsContact OG-CB 3.31Å; S176-T183 WeakPolarHBondContact OG-CB 3.48Å; S176-T183 PolarHBondContact OG-OG1 2.89Å; T183-T222 HydrophobicContact CG2-CG2 3.83Å; T183-A223 CarbonylContact C-O 3.51Å; T183-A223 WeakPolarHBondContact CA-O 3.32Å; T183-R224 HydrophobicContact CG2-CB 4.48Å
184	L	90.9	Very high	87.8	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	148.7	175.4	-55.1	-173.6	0	0	0	110.8	M172 H173 Q174 F182 W186 L201 T222 A223 V236 F255	M172-L184 HydrophobicContact SD-CD1 3.97Å; H173-L184 CarbonylContact O-C 3.2Å; H173-L184 VanDerWaalsContact O-CA 3.27Å; H173-L184 WeakPolarHBondContact O-CA 3.25Å; Q174-L184 HydrophobicContact CB-CD2 4.03Å; Q174-L184 HydrophobicContact CG-CD2 4.23Å; F182-L184 HydrophobicContact CD2-CD1 4.3Å; F182-L184 HydrophobicContact CD2-CD2 3.68Å; F182-L184 HydrophobicContact CD2-CG 3.76Å; F182-L184 HydrophobicContact CE2-CD1 3.87Å; F182-L184 HydrophobicContact CE2-CD2 4Å; F182-L184 HydrophobicContact CE2-CG 3.86Å; L184-W186 HydrophobicContact CB-CE3 4.37Å; L184-W186 HydrophobicContact CB-CZ3 4.15Å; L184-W186 WeakPolarHBondContact O-CZ3 3.44Å; L184-L201 HydrophobicContact CD1-CD2 4.48Å; L184-T222 CarbonylContact O-C 3.51Å; L184-T222 VanDerWaalsContact O-CA 3.26Å; L184-T222 WeakPolarHBondContact O-CA 3.47Å; L184-T222 WeakPolarHBondContact O-CG2 3.43Å; L184-A223 PolarHBondContact N-O 2.91Å; L184-A223 PolarHBondContact O-N 2.87Å; L184-V236 HydrophobicContact CD1-CB 4.22Å; L184-V236 HydrophobicContact CD1-CG1 3.81Å; L184-V236 HydrophobicContact CD1-CG2 4.24Å; L184-F255 HydrophobicContact CD1-CD2 3.72Å; L184-F255 HydrophobicContact CD1-CE2 3.66Å; L184-F255 HydrophobicContact CD1-CG 4.34Å; L184-F255 HydrophobicContact CD1-CZ 4.26Å; L184-F255 HydrophobicContact CD2-CB 4.45Å; L184-F255 HydrophobicContact CD2-CD1 3.66Å; L184-F255 HydrophobicContact CD2-CD2 3.92Å; L184-F255 HydrophobicContact CD2-CE1 3.8Å; L184-F255 HydrophobicContact CD2-CE2 4.05Å; L184-F255 HydrophobicContact CD2-CG 3.72Å; L184-F255 HydrophobicContact CD2-CZ 3.99Å; L184-F255 HydrophobicContact CG-CD2 4.5Å
185	S	89.1	Confident	87.9	Confident	23 Å²	23	49.1 Å²	49.1	16%	0.161	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	155.8	165.4	-179	0	0	0	0	111.3	M172 H173 I175 N221 T222	M172-S185 CarbonylContact C-O 3.54Å; M172-S185 WeakPolarHBondContact CA-O 3.27Å; H173-S185 PolarHBondContact N-O 2.89Å; H173-S185 PolarHBondContact O-N 2.85Å; I175-S185 VanDerWaalsContact CD1-CB 3.42Å; S185-N221 VanDerWaalsContact CA-O 3.23Å; S185-N221 WeakPolarHBondContact CA-O 3.2Å; S185-N221 WeakPolarHBondContact CB-O 3.4Å; S185-N221 PolarHBondContact OG-O 2.83Å; S185-T222 WeakPolarHBondContact CB-OG1 3.46Å; S185-T222 PolarHBondContact OG-OG1 3.14Å
186	W	93.2	Very high	88.7	Confident	4 Å²	4	45.4 Å²	45.4	2%	0.015	25%	0.245	C	C	.	.			trans	-143.7	156.9	-174.8	49	94.7	0	0	0	111.1	V169 I171 M172 L184 Y199 L201 T220 N221 T222 A223 V238	V169-W186 HydrophobicContact CG1-CB 3.59Å; V169-W186 HydrophobicContact CG1-CG 3.87Å; I171-W186 WeakPolarHBondContact O-CB 3.3Å; M172-W186 HydrophobicContact CG-CB 4.02Å; M172-W186 HydrophobicContact CG-CD2 4.48Å; M172-W186 HydrophobicContact CG-CE3 4.11Å; M172-W186 HydrophobicContact CG-CG 4.46Å; L184-W186 HydrophobicContact CB-CE3 4.37Å; L184-W186 HydrophobicContact CB-CZ3 4.15Å; L184-W186 WeakPolarHBondContact O-CZ3 3.44Å; W186-Y199 AromaticContact CD1-CD1 3.94Å; W186-Y199 AromaticContact CD1-CE1 3.68Å; W186-Y199 AromaticContact CE2-CD1 3.91Å; W186-Y199 AromaticContact CE2-CG 3.84Å; W186-Y199 HydrophobicContact CZ2-CD1 4.27Å; W186-Y199 HydrophobicContact CZ2-CD2 4Å; W186-Y199 AromaticContact CZ2-CG 3.74Å; W186-Y199 HydrophobicContact CZ2-CG 3.74Å; W186-Y199 AromaticContact NE1-CD1 3.04Å; W186-Y199 AromaticContact NE1-CD2 3.73Å; W186-Y199 AromaticContact NE1-CE1 3.11Å; W186-Y199 AromaticContact NE1-CE2 3.82Å; W186-Y199 AromaticContact NE1-CG 3.36Å; W186-Y199 AromaticContact NE1-CZ 3.53Å; W186-L201 HydrophobicContact CH2-CD1 3.76Å; W186-L201 HydrophobicContact CH2-CD2 4.19Å; W186-L201 HydrophobicContact CH2-CG 4.38Å; W186-L201 HydrophobicContact CZ2-CD1 4.24Å; W186-L201 HydrophobicContact CZ3-CD1 4.41Å; W186-L201 HydrophobicContact CZ3-CD2 4.02Å; W186-T220 WeakPolarHBondContact CZ2-O 3.46Å; W186-N221 VanDerWaalsContact CE2-C 3.48Å; W186-N221 VanDerWaalsContact CZ2-C 3.43Å; W186-N221 PolarHBondContact N-O 3Å; W186-N221 WeakPolarHBondContact O-CB 3.38Å; W186-N221 PolarHBondContact O-ND2 2.68Å; W186-T222 VanDerWaalsContact CH2-C 3.43Å; W186-A223 HydrophobicContact CH2-CB 3.68Å; W186-A223 HydrophobicContact CZ3-CB 4.05Å; W186-V238 HydrophobicContact CD2-CG1 4.4Å; W186-V238 HydrophobicContact CD2-CG2 4.31Å; W186-V238 HydrophobicContact CG-CG1 4.35Å; W186-V238 HydrophobicContact CZ2-CG2 4.13Å
187	P	85.4	Confident	89.3	Confident	56 Å²	56	46.4 Å²	46.4	36%	0.364	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-70.1	165.8	166.9	32.3	-35.5	0	0	0	111	P170 I171	P170-P187 HydrophobicContact CG-CG 3.79Å; I171-P187 HydrophobicContact CG2-CG 4.11Å; I171-P187 WeakPolarHBondContact O-CD 3.4Å
188	Q	86.4	Confident	89.8	Confident	121 Å²	121	46.5 Å²	46.5	57%	0.565	25%	0.245	S	C	*	.	P	Polyproline II helix	trans	-63.6	156.5	167.2	-62.5	-163.1	-12.1	0	0	110.6
189	P	89.4	Confident	90.2	Very high	4 Å²	4	45.4 Å²	45.4	3%	0.026	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-57.4	141.9	171.7	-20.5	32.2	0	0	0	111.5	P166 S167 V169 Q191 P192 A240	P166-P189 HydrophobicContact CB-CB 4.15Å; P166-P189 HydrophobicContact CB-CG 3.9Å; S167-P189 WeakPolarHBondContact OG-CB 3.32Å; V169-P189 HydrophobicContact CG2-CG 4.04Å; P189-Q191 PolarHBondContact O-N 2.93Å; P189-P192 WeakPolarHBondContact O-CD 3.37Å; P189-P192 WeakPolarHBondContact O-CG 3.42Å; P189-A240 HydrophobicContact CG-CB 3.59Å
190	E	84.3	Confident	90.7	Very high	164 Å²	164	43.9 Å²	43.9	77%	0.766	23%	0.23	S	C	*	.	S	Bend	trans	-58.9	-31.3	-179.4	-62.9	-178.9	171.2	0	0	112.9	S167	S167-E190 PolarHBondContact OG-N 2.77Å
191	Q	85.9	Confident	90.9	Very high	107 Å²	107	39.6 Å²	39.6	50%	0.5	21%	0.207	S	C	.	.	S	Bend	trans	-119.3	94.3	168.2	-58.1	177.8	-9.1	0	0	108.5	S167 P189 N193	S167-Q191 PolarHBondContact N-O 3.03Å; S167-Q191 PolarHBondContact OG-N 2.91Å; S167-Q191 VanDerWaalsContact OG-N 3.1Å; S167-Q191 PolarHBondContact OG-O 3.18Å; P189-Q191 PolarHBondContact O-N 2.93Å; Q191-N193 PolarHBondContact O-N 3.07Å
192	P	86.2	Confident	91.1	Very high	44 Å²	44	42.8 Å²	42.8	29%	0.286	22%	0.219	S	C	.	.			trans	-62.9	-26.7	178.6	-24.9	35.1	0	0	0	113.2	P189 G194 I196 T242	P189-P192 WeakPolarHBondContact O-CD 3.37Å; P189-P192 WeakPolarHBondContact O-CG 3.42Å; P192-G194 PolarHBondContact O-N 3.39Å; P192-I196 HydrophobicContact CB-CD1 4.06Å; P192-I196 HydrophobicContact CB-CG1 4.36Å; P192-T242 WeakPolarHBondContact O-CG2 3.15Å
193	N	90	Very high	91.2	Very high	29 Å²	29	44.2 Å²	44.2	16%	0.155	23%	0.225	C	C	.	.			trans	54	16	179	-65.3	-20.2	0	0	0	115.4	A130 Q163 A164 A165 Q191	A130-N193 HydrophobicContact CB-CB 3.87Å; Q163-N193 CarbonylContact C-O 3.57Å; Q163-N193 WeakPolarHBondContact CA-O 3.43Å; Q163-N193 WeakPolarHBondContact CB-O 3.23Å; A164-N193 HydrophobicContact CB-CB 3.98Å; A164-N193 PolarHBondContact N-O 2.79Å; A165-N193 PolarHBondContact O-ND2 2.83Å; Q191-N193 PolarHBondContact O-N 3.07Å
194	G	89.8	Confident	91.4	Very high	12 Å²	12	44.2 Å²	44.2	12%	0.124	22%	0.223	C	C	.	.	S	Bend	trans	159	-170.3	-171	0	0	0	0	0	111.8	P192	P192-G194 PolarHBondContact O-N 3.39Å
195	I	89.4	Confident	91.5	Very high	106 Å²	106	45.9 Å²	45.9	54%	0.544	23%	0.231	S	C	.	.			trans	-85.9	120.5	172.4	-59.7	174.5	0	0	0	107.8	L197	I195-L197 PolarHBondContact O-N 3.24Å
196	I	92.2	Very high	91.4	Very high	33 Å²	33	50.4 Å²	50.4	17%	0.169	25%	0.247	C	C	.	.			trans	-70.8	126.4	176.1	-50.9	-54.2	0	0	0	109.5	P166 P192 Y199 A240 R241 T242	P166-I196 HydrophobicContact CB-CD1 4.15Å; P166-I196 HydrophobicContact CG-CD1 3.56Å; P192-I196 HydrophobicContact CB-CD1 4.06Å; P192-I196 HydrophobicContact CB-CG1 4.36Å; I196-Y199 HydrophobicContact CG2-CE1 4.26Å; I196-Y199 HydrophobicContact CG2-CE2 3.9Å; I196-A240 HydrophobicContact CD1-CB 4.16Å; I196-A240 HydrophobicContact CG2-CB 4.11Å; I196-R241 CarbonylContact C-O 3.52Å; I196-R241 WeakPolarHBondContact CA-O 3.28Å; I196-T242 HydrophobicContact CD1-CG2 4.07Å
197	L	93.4	Very high	90.9	Very high	70 Å²	70	57.1 Å²	57.1	37%	0.366	28%	0.284	S	S	.	.			trans	-100.6	-45.3	-175.1	-57.9	178	0	0	0	112.6	I195 R241 V243	I195-L197 PolarHBondContact O-N 3.24Å; L197-R241 PolarHBondContact N-O 2.98Å; L197-V243 HydrophobicContact CD1-CG1 3.99Å
198	D	95.9	Very high	90.9	Very high	17 Å²	17	58.6 Å²	58.6	9%	0.091	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	173.8	171.9	64.7	18	0	0	0	110.7	R217 S218 R241	D198-R217 IonicContact OD2-NH1 2.76Å; D198-S218 WeakPolarHBondContact CA-O 3.45Å; D198-S218 WeakPolarHBondContact CB-O 3.38Å; D198-R241 PolarHBondContact O-N 3.07Å; D198-R241 WeakPolarHBondContact OD1-CB 3.28Å; D198-R241 IonicContact OD1-CZ 2.73Å; D198-R241 IonicContact OD1-NE 2.82Å; D198-R241 PolarHBondContact OD1-NE 3.28Å; D198-R241 IonicContact OD1-NH2 2.8Å; D198-R241 PolarHBondContact OD1-NH2 2.95Å; D198-R241 IonicContact OD2-CZ 3.38Å; D198-R241 IonicContact OD2-NE 2.66Å; D198-R241 PolarHBondContact OD2-NE 3.47Å; D198-R241 IonicContact OD2-NH2 3.19Å; D198-R241 PolarHBondContact OD2-NH2 3.1Å
199	Y	97.2	Very high	90.5	Very high	7 Å²	7	55.7 Å²	55.7	3%	0.027	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	147.5	169.3	-62.6	-91	0	0	0	109.8	V169 W186 I196 R217 S218 T220 N221 V238 R239 A240	V169-Y199 HydrophobicContact CG2-CD1 4.37Å; V169-Y199 HydrophobicContact CG2-CE1 4.15Å; W186-Y199 AromaticContact CD1-CD1 3.94Å; W186-Y199 AromaticContact CD1-CE1 3.68Å; W186-Y199 AromaticContact CE2-CD1 3.91Å; W186-Y199 AromaticContact CE2-CG 3.84Å; W186-Y199 HydrophobicContact CZ2-CD1 4.27Å; W186-Y199 HydrophobicContact CZ2-CD2 4Å; W186-Y199 AromaticContact CZ2-CG 3.74Å; W186-Y199 HydrophobicContact CZ2-CG 3.74Å; W186-Y199 AromaticContact NE1-CD1 3.04Å; W186-Y199 AromaticContact NE1-CD2 3.73Å; W186-Y199 AromaticContact NE1-CE1 3.11Å; W186-Y199 AromaticContact NE1-CE2 3.82Å; W186-Y199 AromaticContact NE1-CG 3.36Å; W186-Y199 AromaticContact NE1-CZ 3.53Å; I196-Y199 HydrophobicContact CG2-CE1 4.26Å; I196-Y199 HydrophobicContact CG2-CE2 3.9Å; Y199-R217 VanDerWaalsContact O-CA 3.23Å; Y199-R217 WeakPolarHBondContact O-CA 3.23Å; Y199-R217 WeakPolarHBondContact O-CB 3.27Å; Y199-S218 PolarHBondContact N-O 2.92Å; Y199-S218 PolarHBondContact O-N 3.28Å; Y199-T220 VanDerWaalsContact CD2-O 3.25Å; Y199-T220 WeakPolarHBondContact CD2-O 3.22Å; Y199-N221 HydrophobicContact CE2-CB 4.15Å; Y199-V238 HydrophobicContact CD1-CG2 4.25Å; Y199-R239 CarbonylContact C-O 3.59Å; Y199-R239 VanDerWaalsContact CA-O 3.27Å; Y199-R239 WeakPolarHBondContact CA-O 3.28Å; Y199-A240 HydrophobicContact CD1-CB 3.68Å; Y199-A240 HydrophobicContact CE1-CB 3.54Å
200	E	97.8	Very high	90	Very high	13 Å²	13	58.6 Å²	58.6	6%	0.061	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	121.9	174.5	-173.6	176.1	83.7	0	0	109.6	V215 L216 R217 V238 R239 F246 Y249	E200-V215 HydrophobicContact CG-CG1 3.41Å; E200-V215 VanDerWaalsContact CG-CG1 3.41Å; E200-L216 CarbonylContact C-O 3.59Å; E200-L216 WeakPolarHBondContact CA-O 3.46Å; E200-R217 HydrophobicContact CB-CG 4.08Å; E200-R217 HydrophobicContact CG-CG 4.02Å; E200-R217 IonicContact OE2-CZ 2.71Å; E200-R217 IonicContact OE2-NE 3.74Å; E200-R217 PolarHBondContact OE2-NE 2.98Å; E200-R217 IonicContact OE2-NH2 3.04Å; E200-R217 PolarHBondContact OE2-NH2 3.45Å; E200-V238 CarbonylContact O-C 3.57Å; E200-V238 WeakPolarHBondContact O-CA 3.38Å; E200-R239 HydrophobicContact CB-CG 4.05Å; E200-R239 PolarHBondContact N-O 3.09Å; E200-R239 PolarHBondContact O-N 3.27Å; E200-R239 IonicContact OE1-CZ 3.98Å; E200-R239 IonicContact OE1-NE 3.64Å; E200-R239 PolarHBondContact OE1-NE 3.01Å; E200-R239 IonicContact OE1-NH2 2.64Å; E200-R239 PolarHBondContact OE1-NH2 3.11Å; E200-F246 HydrophobicContact CB-CD1 4.45Å; E200-F246 HydrophobicContact CB-CE1 3.57Å; E200-F246 HydrophobicContact CB-CZ 4.02Å; E200-F246 HydrophobicContact CG-CE1 4.47Å; E200-F246 WeakPolarHBondContact OE2-CZ 3.1Å; E200-Y249 PolarHBondContact OE1-OH 3.39Å
201	L	97.1	Very high	89.7	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	136.3	177.5	-65.4	80.6	0	0	0	108.9	L184 W186 V215 L216 A223 V225 V236 Q237 V238	L184-L201 HydrophobicContact CD1-CD2 4.48Å; W186-L201 HydrophobicContact CH2-CD1 3.76Å; W186-L201 HydrophobicContact CH2-CD2 4.19Å; W186-L201 HydrophobicContact CH2-CG 4.38Å; W186-L201 HydrophobicContact CZ2-CD1 4.24Å; W186-L201 HydrophobicContact CZ3-CD1 4.41Å; W186-L201 HydrophobicContact CZ3-CD2 4.02Å; L201-V215 CarbonylContact O-C 3.6Å; L201-V215 VanDerWaalsContact O-CA 3.3Å; L201-V215 WeakPolarHBondContact O-CA 3.42Å; L201-L216 HydrophobicContact CB-CB 4.43Å; L201-L216 PolarHBondContact N-O 3.09Å; L201-L216 PolarHBondContact O-N 2.91Å; L201-A223 HydrophobicContact CD1-CB 3.85Å; L201-A223 HydrophobicContact CD2-CB 3.8Å; L201-V225 HydrophobicContact CD2-CG2 4.46Å; L201-V236 HydrophobicContact CD2-CG1 4.37Å; L201-Q237 CarbonylContact C-O 3.58Å; L201-Q237 VanDerWaalsContact CA-O 3.28Å; L201-Q237 WeakPolarHBondContact CA-O 3.49Å; L201-V238 HydrophobicContact CD1-CG2 4.06Å; L201-V238 HydrophobicContact CG-CB 4.16Å; L201-V238 HydrophobicContact CG-CG2 3.88Å
202	R	95.6	Very high	89.6	Confident	67 Å²	67	58.4 Å²	58.4	25%	0.253	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	130.3	168.8	174.5	-179.1	-68.3	-168.4	-8.9	108.1	E210 S213 T214 V236 Q237 Y249	R202-E210 IonicContact CZ-OE1 2.68Å; R202-E210 IonicContact NH1-OE1 3.88Å; R202-E210 PolarHBondContact NH1-OE1 2.7Å; R202-S213 WeakPolarHBondContact CD-OG 3.27Å; R202-S213 WeakPolarHBondContact CG-OG 3.24Å; R202-T214 WeakPolarHBondContact CA-O 3.22Å; R202-V236 CarbonylContact O-C 3.58Å; R202-V236 WeakPolarHBondContact O-CA 3.46Å; R202-Q237 PolarHBondContact N-O 3.29Å; R202-Q237 PolarHBondContact O-N 3.44Å; R202-Y249 HydrophobicContact CB-CD1 4.39Å; R202-Y249 HydrophobicContact CB-CE1 3.65Å
203	Y	95.5	Very high	89.8	Confident	30 Å²	30	57.8 Å²	57.8	12%	0.118	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	147.9	177.8	68.7	-79.5	0	0	0	113.8	S213 T214 L216 V225 L228 Y234 V235	Y203-S213 CarbonylContact O-C 3.59Å; Y203-S213 VanDerWaalsContact O-CA 3.29Å; Y203-S213 WeakPolarHBondContact O-CA 3.42Å; Y203-S213 WeakPolarHBondContact O-CB 3.11Å; Y203-T214 HydrophobicContact CD1-CG2 4.49Å; Y203-T214 WeakPolarHBondContact CD1-O 3.33Å; Y203-T214 HydrophobicContact CE1-CG2 3.6Å; Y203-T214 HydrophobicContact CE2-CG2 4.44Å; Y203-T214 PolarHBondContact N-O 3.05Å; Y203-T214 PolarHBondContact O-N 3.28Å; Y203-T214 WeakPolarHBondContact OH-CG2 3.47Å; Y203-L216 HydrophobicContact CE1-CB 4.28Å; Y203-V225 HydrophobicContact CD1-CG1 3.98Å; Y203-V225 HydrophobicContact CD2-CG1 3.75Å; Y203-V225 HydrophobicContact CE1-CG1 3.69Å; Y203-V225 HydrophobicContact CE2-CG1 3.44Å; Y203-V225 VanDerWaalsContact CE2-CG1 3.44Å; Y203-V225 HydrophobicContact CG-CG1 4Å; Y203-L228 HydrophobicContact CD2-CD2 4.11Å; Y203-L228 HydrophobicContact CE2-CD2 3.68Å; Y203-Y234 HydrophobicContact CD2-CD1 4.21Å; Y203-V235 CarbonylContact C-O 3.53Å; Y203-V235 WeakPolarHBondContact CA-O 3.34Å
204	Y	94.7	Very high	90	Very high	22 Å²	22	59.8 Å²	59.8	9%	0.086	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	156	177	59.2	-82.7	0	0	0	111.6	H208 E210 Y234 V235 K252	Y204-H208 VanDerWaalsContact CD2-O 3.28Å; Y204-H208 WeakPolarHBondContact CD2-O 3.04Å; Y204-H208 WeakPolarHBondContact CE2-O 3.19Å; Y204-E210 HydrophobicContact CD1-CB 4.5Å; Y204-E210 HydrophobicContact CD1-CG 4.38Å; Y204-E210 HydrophobicContact CE1-CB 3.97Å; Y204-E210 HydrophobicContact CE1-CG 3.87Å; Y204-E210 HydrophobicContact CE2-CB 4.47Å; Y204-Y234 CarbonylContact O-C 3.53Å; Y204-Y234 VanDerWaalsContact O-CA 3.3Å; Y204-Y234 WeakPolarHBondContact O-CA 3.45Å; Y204-V235 HydrophobicContact CD1-CB 4.27Å; Y204-V235 HydrophobicContact CD1-CG1 4.46Å; Y204-V235 HydrophobicContact CD2-CB 4.37Å; Y204-V235 HydrophobicContact CE1-CB 3.9Å; Y204-V235 HydrophobicContact CE1-CG1 3.71Å; Y204-V235 HydrophobicContact CE2-CB 4.01Å; Y204-V235 HydrophobicContact CE2-CG1 4.42Å; Y204-V235 HydrophobicContact CE2-CG2 4.24Å; Y204-V235 HydrophobicContact CG-CB 4.49Å; Y204-V235 PolarHBondContact N-O 2.66Å; Y204-V235 PolarHBondContact O-N 2.89Å; Y204-K252 PolarHBondContact OH-NZ 3.41Å
205	E	92.9	Very high	90.3	Very high	35 Å²	35	62.8 Å²	62.8	16%	0.164	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	133.4	173.3	-69.1	174.6	177.9	0	0	109.1	D207 H208 R229 T232 Y234	E205-D207 PolarHBondContact O-N 2.88Å; E205-D207 VanDerWaalsContact O-N 3.08Å; E205-H208 HydrophobicContact CB-CB 4.39Å; E205-H208 WeakPolarHBondContact O-CB 3.47Å; E205-H208 PolarHBondContact O-N 3.08Å; E205-H208 IonicContact OE2-CE1 3.9Å; E205-H208 PolarHBondContact OE2-CE1 2.96Å; E205-H208 IonicContact OE2-ND1 3.59Å; E205-H208 PolarHBondContact OE2-ND1 2.9Å; E205-R229 VanDerWaalsContact OE1-CD 3.23Å; E205-R229 WeakPolarHBondContact OE1-CD 3.3Å; E205-R229 IonicContact OE1-CZ 2.71Å; E205-R229 IonicContact OE1-NE 3.98Å; E205-R229 PolarHBondContact OE1-NE 2.87Å; E205-R229 IonicContact OE2-CZ 2.68Å; E205-R229 IonicContact OE2-NE 2.71Å; E205-R229 PolarHBondContact OE2-NE 3.01Å; E205-R229 IonicContact OE2-NH2 3.74Å; E205-T232 HydrophobicContact CG-CG2 4.18Å; E205-Y234 HydrophobicContact CB-CE1 4.3Å; E205-Y234 HydrophobicContact CG-CD1 3.88Å; E205-Y234 HydrophobicContact CG-CE1 3.18Å; E205-Y234 PolarHBondContact OE1-OH 3.29Å
206	K	87.5	Confident	90.6	Very high	117 Å²	117	60.3 Å²	60.3	51%	0.509	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-32.2	-169.5	179.3	-178.9	170	-169.1	0	113.8	H208 V233 V235	K206-H208 VanDerWaalsContact C-N 3.31Å; K206-V233 HydrophobicContact CB-CB 4.23Å; K206-V233 HydrophobicContact CB-CG1 4.17Å; K206-V233 VanDerWaalsContact CB-O 3.32Å; K206-V233 WeakPolarHBondContact CB-O 3.28Å; K206-V233 HydrophobicContact CD-CB 4.27Å; K206-V233 HydrophobicContact CD-CG1 3.84Å; K206-V233 PolarHBondContact N-O 2.69Å; K206-V235 HydrophobicContact CB-CG2 4.11Å; K206-V235 HydrophobicContact CG-CG2 4.11Å
207	D	83.1	Confident	90.7	Very high	146 Å²	146	64.9 Å²	64.9	78%	0.781	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-0.7	-178.8	-49.6	-55.8	0	0	0	113	E205	E205-D207 PolarHBondContact O-N 2.88Å; E205-D207 VanDerWaalsContact O-N 3.08Å
208	H	84.9	Confident	90.8	Very high	87 Å²	87	62.6 Å²	62.6	40%	0.403	32%	0.32	S	S	.	.	S	Bend	trans	-100.5	155.4	172.8	-69.1	165.4	0	0	0	112.2	Y204 E205 K206	Y204-H208 VanDerWaalsContact CD2-O 3.28Å; Y204-H208 WeakPolarHBondContact CD2-O 3.04Å; Y204-H208 WeakPolarHBondContact CE2-O 3.19Å; E205-H208 HydrophobicContact CB-CB 4.39Å; E205-H208 WeakPolarHBondContact O-CB 3.47Å; E205-H208 PolarHBondContact O-N 3.08Å; E205-H208 IonicContact OE2-CE1 3.9Å; E205-H208 PolarHBondContact OE2-CE1 2.96Å; E205-H208 IonicContact OE2-ND1 3.59Å; E205-H208 PolarHBondContact OE2-ND1 2.9Å; K206-H208 VanDerWaalsContact C-N 3.31Å
209	A	76.7	Confident	90.6	Very high	59 Å²	59	70.2 Å²	70.2	49%	0.488	35%	0.354	S	S	.	.			trans	-69.8	148.5	173.6	0	0	0	0	0	111.7	I211 N212	A209-I211 PolarHBondContact O-N 3.03Å; A209-N212 PolarHBondContact O-N 2.99Å
210	E	79.4	Confident	90.3	Very high	66 Å²	66	73.6 Å²	73.6	31%	0.308	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-57.7	-21	178.6	-176.2	179.6	167.2	0	0	113.7	R202 Y204 N212 S213 K252	R202-E210 IonicContact CZ-OE1 2.68Å; R202-E210 IonicContact NH1-OE1 3.88Å; R202-E210 PolarHBondContact NH1-OE1 2.7Å; Y204-E210 HydrophobicContact CD1-CB 4.5Å; Y204-E210 HydrophobicContact CD1-CG 4.38Å; Y204-E210 HydrophobicContact CE1-CB 3.97Å; Y204-E210 HydrophobicContact CE1-CG 3.87Å; Y204-E210 HydrophobicContact CE2-CB 4.47Å; E210-N212 PolarHBondContact O-N 2.91Å; E210-S213 WeakPolarHBondContact O-CB 3.42Å; E210-S213 PolarHBondContact O-N 2.65Å; E210-S213 PolarHBondContact O-OG 3.23Å; E210-K252 WeakPolarHBondContact OE2-CE 3.29Å; E210-K252 IonicContact OE2-NZ 3.42Å; E210-K252 PolarHBondContact OE2-NZ 2.87Å
211	I	78.4	Confident	89.9	Confident	159 Å²	159	76.1 Å²	76.1	82%	0.815	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-58.5	-31.6	173.2	-63.5	173.4	0	0	0	111.3	A209 S213	A209-I211 PolarHBondContact O-N 3.03Å; I211-S213 PolarHBondContact O-N 2.8Å
212	N	84.8	Confident	89.6	Confident	107 Å²	107	78.2 Å²	78.2	57%	0.572	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-88.5	32.5	178.5	-62	-9.1	0	0	0	112.1	A209 E210	A209-N212 PolarHBondContact O-N 2.99Å; E210-N212 PolarHBondContact O-N 2.91Å
213	S	89.9	Confident	89.6	Confident	31 Å²	31	75.3 Å²	75.3	22%	0.217	39%	0.393	C	S	.	.			trans	-92.4	133.6	-176.1	58.2	0	0	0	0	114.2	R202 Y203 E210 I211	R202-S213 WeakPolarHBondContact CD-OG 3.27Å; R202-S213 WeakPolarHBondContact CG-OG 3.24Å; Y203-S213 CarbonylContact O-C 3.59Å; Y203-S213 VanDerWaalsContact O-CA 3.29Å; Y203-S213 WeakPolarHBondContact O-CA 3.42Å; Y203-S213 WeakPolarHBondContact O-CB 3.11Å; E210-S213 WeakPolarHBondContact O-CB 3.42Å; E210-S213 PolarHBondContact O-N 2.65Å; E210-S213 PolarHBondContact O-OG 3.23Å; I211-S213 PolarHBondContact O-N 2.8Å
214	T	94.1	Very high	89.5	Confident	72 Å²	72	79.3 Å²	79.3	44%	0.442	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	147.8	173.4	-54.8	0	0	0	0	109.6	R202 Y203	R202-T214 WeakPolarHBondContact CA-O 3.22Å; Y203-T214 HydrophobicContact CD1-CG2 4.49Å; Y203-T214 WeakPolarHBondContact CD1-O 3.33Å; Y203-T214 HydrophobicContact CE1-CG2 3.6Å; Y203-T214 HydrophobicContact CE2-CG2 4.44Å; Y203-T214 PolarHBondContact N-O 3.05Å; Y203-T214 PolarHBondContact O-N 3.28Å; Y203-T214 WeakPolarHBondContact OH-CG2 3.47Å
215	V	95.3	Very high	89.5	Confident	74 Å²	74	78.3 Å²	78.3	45%	0.448	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	133.2	179.3	178.1	0	0	0	0	110.3	E200 L201	E200-V215 HydrophobicContact CG-CG1 3.41Å; E200-V215 VanDerWaalsContact CG-CG1 3.41Å; L201-V215 CarbonylContact O-C 3.6Å; L201-V215 VanDerWaalsContact O-CA 3.3Å; L201-V215 WeakPolarHBondContact O-CA 3.42Å
216	L	95.5	Very high	89.6	Confident	54 Å²	54	81.8 Å²	81.8	28%	0.283	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	148.2	176.7	174.9	64.8	0	0	0	108.9	E200 L201 Y203 A223 R224 V225	E200-L216 CarbonylContact C-O 3.59Å; E200-L216 WeakPolarHBondContact CA-O 3.46Å; L201-L216 HydrophobicContact CB-CB 4.43Å; L201-L216 PolarHBondContact N-O 3.09Å; L201-L216 PolarHBondContact O-N 2.91Å; Y203-L216 HydrophobicContact CE1-CB 4.28Å; L216-A223 HydrophobicContact CD2-CB 4.09Å; L216-R224 WeakPolarHBondContact CD2-O 3.36Å; L216-V225 HydrophobicContact CD2-CG2 4.07Å
217	R	95.8	Very high	89.7	Confident	129 Å²	129	79.8 Å²	79.8	49%	0.487	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	150.7	170.5	-68.8	-164	-175.7	169.2	8.4	112.2	D198 Y199 E200	D198-R217 IonicContact OD2-NH1 2.76Å; Y199-R217 VanDerWaalsContact O-CA 3.23Å; Y199-R217 WeakPolarHBondContact O-CA 3.23Å; Y199-R217 WeakPolarHBondContact O-CB 3.27Å; E200-R217 HydrophobicContact CB-CG 4.08Å; E200-R217 HydrophobicContact CG-CG 4.02Å; E200-R217 IonicContact OE2-CZ 2.71Å; E200-R217 IonicContact OE2-NE 3.74Å; E200-R217 PolarHBondContact OE2-NE 2.98Å; E200-R217 IonicContact OE2-NH2 3.04Å; E200-R217 PolarHBondContact OE2-NH2 3.45Å
218	S	94.3	Very high	90.2	Very high	23 Å²	23	73.4 Å²	73.4	16%	0.161	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	141.5	169	-174.5	0	0	0	0	110.8	D198 Y199 T220 T222	D198-S218 WeakPolarHBondContact CA-O 3.45Å; D198-S218 WeakPolarHBondContact CB-O 3.38Å; Y199-S218 PolarHBondContact N-O 2.92Å; Y199-S218 PolarHBondContact O-N 3.28Å; S218-T220 PolarHBondContact OG-N 3.47Å; S218-T220 PolarHBondContact OG-O 2.83Å; S218-T220 PolarHBondContact OG-OG1 3.28Å; S218-T222 VanDerWaalsContact CB-O 3.3Å; S218-T222 WeakPolarHBondContact CB-O 3.13Å; S218-T222 PolarHBondContact OG-O 3.18Å
219	Q	92.5	Very high	90.6	Very high	176 Å²	176	76.2 Å²	76.2	82%	0.822	41%	0.406	S	S	*	.	S	Bend	trans	-76.9	-13.6	172.8	-65.8	176.1	-8.4	0	0	112.2
220	T	91.4	Very high	91.3	Very high	79 Å²	79	76.8 Å²	76.8	49%	0.485	41%	0.405	S	S	.	.	S	Bend	trans	-116.7	169.7	179.6	66.7	0	0	0	0	110.8	W186 Y199 S218 T222	W186-T220 WeakPolarHBondContact CZ2-O 3.46Å; Y199-T220 VanDerWaalsContact CD2-O 3.25Å; Y199-T220 WeakPolarHBondContact CD2-O 3.22Å; S218-T220 PolarHBondContact OG-N 3.47Å; S218-T220 PolarHBondContact OG-O 2.83Å; S218-T220 PolarHBondContact OG-OG1 3.28Å; T220-T222 PolarHBondContact O-N 2.88Å; T220-T222 PolarHBondContact OG1-O 2.94Å
221	N	88.7	Confident	91.6	Very high	66 Å²	66	74.7 Å²	74.7	35%	0.353	40%	0.401	S	S	.	.	S	Bend	trans	-75.5	26.8	175.4	73.4	-49.8	0	0	0	113.4	S185 W186 Y199	S185-N221 VanDerWaalsContact CA-O 3.23Å; S185-N221 WeakPolarHBondContact CA-O 3.2Å; S185-N221 WeakPolarHBondContact CB-O 3.4Å; S185-N221 PolarHBondContact OG-O 2.83Å; W186-N221 VanDerWaalsContact CE2-C 3.48Å; W186-N221 VanDerWaalsContact CZ2-C 3.43Å; W186-N221 PolarHBondContact N-O 3Å; W186-N221 WeakPolarHBondContact O-CB 3.38Å; W186-N221 PolarHBondContact O-ND2 2.68Å; Y199-N221 HydrophobicContact CE2-CB 4.15Å
222	T	91	Very high	92.2	Very high	43 Å²	43	68.8 Å²	68.8	26%	0.264	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	138.8	-178.9	-57.1	0	0	0	0	108.9	I175 T183 L184 S185 W186 S218 T220	I175-T222 HydrophobicContact CD1-CG2 4.23Å; T183-T222 HydrophobicContact CG2-CG2 3.83Å; L184-T222 CarbonylContact O-C 3.51Å; L184-T222 VanDerWaalsContact O-CA 3.26Å; L184-T222 WeakPolarHBondContact O-CA 3.47Å; L184-T222 WeakPolarHBondContact O-CG2 3.43Å; S185-T222 WeakPolarHBondContact CB-OG1 3.46Å; S185-T222 PolarHBondContact OG-OG1 3.14Å; W186-T222 VanDerWaalsContact CH2-C 3.43Å; S218-T222 VanDerWaalsContact CB-O 3.3Å; S218-T222 WeakPolarHBondContact CB-O 3.13Å; S218-T222 PolarHBondContact OG-O 3.18Å; T220-T222 PolarHBondContact O-N 2.88Å; T220-T222 PolarHBondContact OG1-O 2.94Å
223	A	94.6	Very high	92.5	Very high	7 Å²	7	65.5 Å²	65.5	6%	0.058	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	142.5	174.3	0	0	0	0	0	111.4	T183 L184 W186 L201 L216	T183-A223 CarbonylContact C-O 3.51Å; T183-A223 WeakPolarHBondContact CA-O 3.32Å; L184-A223 PolarHBondContact N-O 2.91Å; L184-A223 PolarHBondContact O-N 2.87Å; W186-A223 HydrophobicContact CH2-CB 3.68Å; W186-A223 HydrophobicContact CZ3-CB 4.05Å; L201-A223 HydrophobicContact CD1-CB 3.85Å; L201-A223 HydrophobicContact CD2-CB 3.8Å; L216-A223 HydrophobicContact CD2-CB 4.09Å
224	R	94	Very high	92.6	Very high	114 Å²	114	64.4 Å²	64.4	43%	0.43	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	117.6	172.1	-177.1	175	163.7	80.7	13.8	108.2	S181 T183 L216 E226	S181-R224 PolarHBondContact OG-NH1 2.87Å; S181-R224 PolarHBondContact OG-NH2 2.78Å; T183-R224 HydrophobicContact CG2-CB 4.48Å; L216-R224 WeakPolarHBondContact CD2-O 3.36Å; R224-E226 HydrophobicContact CG-CG 3.95Å; R224-E226 IonicContact CZ-OE1 2.98Å; R224-E226 IonicContact NE-OE1 2.69Å; R224-E226 PolarHBondContact NE-OE1 2.96Å; R224-E226 IonicContact NH2-OE1 3.08Å; R224-E226 PolarHBondContact NH2-OE1 2.65Å
225	V	94.9	Very high	92.6	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	124.7	177.8	-169.8	0	0	0	0	107.6	S181 F182 L201 Y203 L216 L228	S181-V225 CarbonylContact C-O 3.59Å; S181-V225 WeakPolarHBondContact CA-O 3.34Å; S181-V225 WeakPolarHBondContact CB-O 3.06Å; F182-V225 HydrophobicContact CD2-CB 4.05Å; F182-V225 HydrophobicContact CD2-CG2 4.11Å; F182-V225 HydrophobicContact CE2-CB 3.79Å; F182-V225 HydrophobicContact CE2-CG1 4.4Å; F182-V225 HydrophobicContact CE2-CG2 3.69Å; F182-V225 HydrophobicContact CZ-CB 4.46Å; F182-V225 PolarHBondContact N-O 3.48Å; F182-V225 PolarHBondContact O-N 2.93Å; L201-V225 HydrophobicContact CD2-CG2 4.46Å; Y203-V225 HydrophobicContact CD1-CG1 3.98Å; Y203-V225 HydrophobicContact CD2-CG1 3.75Å; Y203-V225 HydrophobicContact CE1-CG1 3.69Å; Y203-V225 HydrophobicContact CE2-CG1 3.44Å; Y203-V225 VanDerWaalsContact CE2-CG1 3.44Å; Y203-V225 HydrophobicContact CG-CG1 4Å; L216-V225 HydrophobicContact CD2-CG2 4.07Å; V225-L228 HydrophobicContact CB-CD1 4.44Å; V225-L228 HydrophobicContact CG1-CD1 4.26Å; V225-L228 HydrophobicContact CG1-CD2 3.96Å; V225-L228 HydrophobicContact CG1-CG 4.4Å
226	E	94	Very high	92.6	Very high	109 Å²	109	57.9 Å²	57.9	51%	0.509	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	170.5	-174	-56.7	-161.7	121.8	0	0	112.2	R224	R224-E226 HydrophobicContact CG-CG 3.95Å; R224-E226 IonicContact CZ-OE1 2.98Å; R224-E226 IonicContact NE-OE1 2.69Å; R224-E226 PolarHBondContact NE-OE1 2.96Å; R224-E226 IonicContact NH2-OE1 3.08Å; R224-E226 PolarHBondContact NH2-OE1 2.65Å
227	G	91.4	Very high	92.7	Very high	75 Å²	75	56.2 Å²	56.2	77%	0.773	30%	0.298	S	S	*	.	S	Bend	trans	77.3	21.7	-178.5	0	0	0	0	0	113.7	N180	N180-G227 PolarHBondContact O-N 2.95Å; N180-G227 VanDerWaalsContact O-N 3.16Å
228	L	93.7	Very high	92.7	Very high	12 Å²	12	50 Å²	50	6%	0.063	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-84.3	157.6	-177.2	-52.9	-177.7	0	0	0	111.7	N180 F182 Y203 V225 Y234 T257	N180-L228 WeakPolarHBondContact CA-O 3.44Å; N180-L228 PolarHBondContact O-N 2.98Å; F182-L228 HydrophobicContact CD1-CD1 3.48Å; F182-L228 VanDerWaalsContact CD1-CD1 3.48Å; F182-L228 HydrophobicContact CE1-CD1 3.35Å; F182-L228 HydrophobicContact CE2-CD1 4.42Å; F182-L228 HydrophobicContact CG-CD1 4.09Å; F182-L228 HydrophobicContact CZ-CD1 3.86Å; Y203-L228 HydrophobicContact CD2-CD2 4.11Å; Y203-L228 HydrophobicContact CE2-CD2 3.68Å; V225-L228 HydrophobicContact CB-CD1 4.44Å; V225-L228 HydrophobicContact CG1-CD1 4.26Å; V225-L228 HydrophobicContact CG1-CD2 3.96Å; V225-L228 HydrophobicContact CG1-CG 4.4Å; L228-Y234 HydrophobicContact CB-CD2 4.47Å; L228-Y234 HydrophobicContact CB-CE2 3.74Å; L228-Y234 HydrophobicContact CD1-CD2 4.21Å; L228-Y234 HydrophobicContact CD1-CE2 4.3Å; L228-Y234 HydrophobicContact CD2-CD1 3.95Å; L228-Y234 HydrophobicContact CD2-CD2 4.22Å; L228-Y234 HydrophobicContact CD2-CE1 3.66Å; L228-Y234 HydrophobicContact CD2-CE2 3.96Å; L228-Y234 HydrophobicContact CD2-CG 4.24Å; L228-Y234 HydrophobicContact CG-CE2 4.22Å; L228-T257 HydrophobicContact CB-CG2 3.57Å; L228-T257 HydrophobicContact CD1-CG2 3.78Å; L228-T257 HydrophobicContact CG-CG2 4.34Å
229	R	91.9	Very high	92.8	Very high	145 Å²	145	51.6 Å²	51.6	55%	0.547	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-82.2	142.2	172.9	-63.3	178.8	-167.3	-92.5	0.3	111	M179 E205 T232 Y234 T257	M179-R229 CarbonylContact O-C 3.56Å; E205-R229 VanDerWaalsContact OE1-CD 3.23Å; E205-R229 WeakPolarHBondContact OE1-CD 3.3Å; E205-R229 IonicContact OE1-CZ 2.71Å; E205-R229 IonicContact OE1-NE 3.98Å; E205-R229 PolarHBondContact OE1-NE 2.87Å; E205-R229 IonicContact OE2-CZ 2.68Å; E205-R229 IonicContact OE2-NE 2.71Å; E205-R229 PolarHBondContact OE2-NE 3.01Å; E205-R229 IonicContact OE2-NH2 3.74Å; R229-T232 HydrophobicContact CB-CG2 4.39Å; R229-T232 VanDerWaalsContact CB-OG1 3.32Å; R229-T232 WeakPolarHBondContact CB-OG1 3.15Å; R229-T232 WeakPolarHBondContact O-CB 3.31Å; R229-Y234 PolarHBondContact N-OH 2.94Å; R229-T257 PolarHBondContact O-OG1 2.91Å
230	P	91.4	Very high	93	Very high	72 Å²	72	43.2 Å²	43.2	47%	0.468	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	150.5	173.7	-22.2	30.7	0	0	0	113.6	M179 T232	M179-P230 HydrophobicContact CB-CB 4.22Å; M179-P230 HydrophobicContact CB-CG 4.22Å; M179-P230 HydrophobicContact CE-CB 4.3Å; M179-P230 HydrophobicContact CE-CG 4.34Å; M179-P230 WeakPolarHBondContact O-CA 3.3Å; M179-P230 WeakPolarHBondContact O-CD 3.05Å; M179-P230 VanDerWaalsContact O-CG 3.27Å; M179-P230 WeakPolarHBondContact O-CG 3.25Å; M179-P230 VanDerWaalsContact O-N 3.1Å; P230-T232 PolarHBondContact O-N 2.97Å; P230-T232 PolarHBondContact O-OG1 2.89Å
231	G	85.8	Confident	93.2	Very high	22 Å²	22	42.5 Å²	42.5	23%	0.227	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	-0.7	179.5	0	0	0	0	0	116.8	Q256 T257 L258	G231-Q256 PolarHBondContact O-NE2 2.81Å; G231-T257 WeakPolarHBondContact CA-O 3.34Å; G231-T257 PolarHBondContact N-O 2.85Å; G231-T257 PolarHBondContact N-OG1 2.9Å; G231-L258 PolarHBondContact N-O 2.84Å
232	T	90.6	Very high	93.4	Very high	34 Å²	34	39.4 Å²	39.4	21%	0.209	21%	0.21	C	C	.	.			trans	-91.3	141.3	-164.9	-60.2	0	0	0	0	111.6	E205 R229 P230 Y234 T257	E205-T232 HydrophobicContact CG-CG2 4.18Å; R229-T232 HydrophobicContact CB-CG2 4.39Å; R229-T232 VanDerWaalsContact CB-OG1 3.32Å; R229-T232 WeakPolarHBondContact CB-OG1 3.15Å; R229-T232 WeakPolarHBondContact O-CB 3.31Å; P230-T232 PolarHBondContact O-N 2.97Å; P230-T232 PolarHBondContact O-OG1 2.89Å; T232-Y234 HydrophobicContact CG2-CD2 4.34Å; T232-Y234 HydrophobicContact CG2-CE2 3.71Å; T232-Y234 WeakPolarHBondContact O-CD2 3.24Å; T232-T257 PolarHBondContact N-OG1 2.87Å; T232-T257 PolarHBondContact O-N 2.81Å; T232-T257 PolarHBondContact O-OG1 2.64Å
233	V	91.4	Very high	93.5	Very high	38 Å²	38	42.2 Å²	42.2	23%	0.23	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	124.2	178.4	-176.2	0	0	0	0	109.9	K206 C254 F255 Q256	K206-V233 HydrophobicContact CB-CB 4.23Å; K206-V233 HydrophobicContact CB-CG1 4.17Å; K206-V233 VanDerWaalsContact CB-O 3.32Å; K206-V233 WeakPolarHBondContact CB-O 3.28Å; K206-V233 HydrophobicContact CD-CB 4.27Å; K206-V233 HydrophobicContact CD-CG1 3.84Å; K206-V233 PolarHBondContact N-O 2.69Å; V233-C254 HydrophobicContact CG1-CB 3.88Å; V233-F255 CarbonylContact C-O 3.59Å; V233-F255 WeakPolarHBondContact CA-O 3.49Å; V233-Q256 HydrophobicContact CG2-CB 4.35Å; V233-Q256 HydrophobicContact CG2-CG 3.92Å
234	Y	93.1	Very high	93.2	Very high	8 Å²	8	44.5 Å²	44.5	3%	0.031	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	133.4	175.9	-70.4	-93.9	0	0	0	110.2	F182 Y203 Y204 E205 L228 R229 T232 C254 F255 T257	F182-Y234 HydrophobicContact CE1-CD2 4.13Å; F182-Y234 HydrophobicContact CE1-CG 4.33Å; Y203-Y234 HydrophobicContact CD2-CD1 4.21Å; Y204-Y234 CarbonylContact O-C 3.53Å; Y204-Y234 VanDerWaalsContact O-CA 3.3Å; Y204-Y234 WeakPolarHBondContact O-CA 3.45Å; E205-Y234 HydrophobicContact CB-CE1 4.3Å; E205-Y234 HydrophobicContact CG-CD1 3.88Å; E205-Y234 HydrophobicContact CG-CE1 3.18Å; E205-Y234 PolarHBondContact OE1-OH 3.29Å; L228-Y234 HydrophobicContact CB-CD2 4.47Å; L228-Y234 HydrophobicContact CB-CE2 3.74Å; L228-Y234 HydrophobicContact CD1-CD2 4.21Å; L228-Y234 HydrophobicContact CD1-CE2 4.3Å; L228-Y234 HydrophobicContact CD2-CD1 3.95Å; L228-Y234 HydrophobicContact CD2-CD2 4.22Å; L228-Y234 HydrophobicContact CD2-CE1 3.66Å; L228-Y234 HydrophobicContact CD2-CE2 3.96Å; L228-Y234 HydrophobicContact CD2-CG 4.24Å; L228-Y234 HydrophobicContact CG-CE2 4.22Å; R229-Y234 PolarHBondContact N-OH 2.94Å; T232-Y234 HydrophobicContact CG2-CD2 4.34Å; T232-Y234 HydrophobicContact CG2-CE2 3.71Å; T232-Y234 WeakPolarHBondContact O-CD2 3.24Å; Y234-C254 WeakPolarHBondContact O-CA 3.37Å; Y234-F255 PolarHBondContact N-O 3.25Å; Y234-F255 PolarHBondContact O-N 2.76Å; Y234-T257 HydrophobicContact CE2-CG2 4.43Å
235	V	93.9	Very high	93.2	Very high	10 Å²	10	40.2 Å²	40.2	6%	0.061	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	129.4	165.3	177.1	0	0	0	0	107.9	Y203 Y204 K206 K252 M253	Y203-V235 CarbonylContact C-O 3.53Å; Y203-V235 WeakPolarHBondContact CA-O 3.34Å; Y204-V235 HydrophobicContact CD1-CB 4.27Å; Y204-V235 HydrophobicContact CD1-CG1 4.46Å; Y204-V235 HydrophobicContact CD2-CB 4.37Å; Y204-V235 HydrophobicContact CE1-CB 3.9Å; Y204-V235 HydrophobicContact CE1-CG1 3.71Å; Y204-V235 HydrophobicContact CE2-CB 4.01Å; Y204-V235 HydrophobicContact CE2-CG1 4.42Å; Y204-V235 HydrophobicContact CE2-CG2 4.24Å; Y204-V235 HydrophobicContact CG-CB 4.49Å; Y204-V235 PolarHBondContact N-O 2.66Å; Y204-V235 PolarHBondContact O-N 2.89Å; K206-V235 HydrophobicContact CB-CG2 4.11Å; K206-V235 HydrophobicContact CG-CG2 4.11Å; V235-K252 HydrophobicContact CG1-CB 3.83Å; V235-K252 HydrophobicContact CG1-CD 4.22Å; V235-K252 HydrophobicContact CG1-CG 4.02Å; V235-M253 CarbonylContact C-O 3.51Å; V235-M253 WeakPolarHBondContact CA-O 3.16Å
236	V	95.4	Very high	93.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	144.9	178.5	-170.1	0	0	0	0	110	M172 F182 L184 L201 R202 M253 F255	M172-V236 HydrophobicContact CE-CB 4.31Å; M172-V236 HydrophobicContact CE-CG1 4.16Å; M172-V236 HydrophobicContact SD-CG1 4.05Å; F182-V236 HydrophobicContact CE2-CG2 4.1Å; F182-V236 HydrophobicContact CZ-CG2 3.84Å; L184-V236 HydrophobicContact CD1-CB 4.22Å; L184-V236 HydrophobicContact CD1-CG1 3.81Å; L184-V236 HydrophobicContact CD1-CG2 4.24Å; L201-V236 HydrophobicContact CD2-CG1 4.37Å; R202-V236 CarbonylContact O-C 3.58Å; R202-V236 WeakPolarHBondContact O-CA 3.46Å; V236-M253 PolarHBondContact N-O 3.01Å; V236-M253 PolarHBondContact O-N 2.62Å; V236-F255 HydrophobicContact CB-CD2 3.85Å; V236-F255 HydrophobicContact CB-CE2 4.1Å; V236-F255 HydrophobicContact CG2-CD2 3.7Å; V236-F255 HydrophobicContact CG2-CE2 4.43Å
237	Q	96.2	Very high	93.1	Very high	18 Å²	18	37.9 Å²	37.9	8%	0.084	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	149.5	168.5	-64.6	177.9	-97	0	0	109.4	L201 R202 Y249 S250 K252	L201-Q237 CarbonylContact C-O 3.58Å; L201-Q237 VanDerWaalsContact CA-O 3.28Å; L201-Q237 WeakPolarHBondContact CA-O 3.49Å; R202-Q237 PolarHBondContact N-O 3.29Å; R202-Q237 PolarHBondContact O-N 3.44Å; Q237-Y249 HydrophobicContact CB-CD1 3.8Å; Q237-Y249 HydrophobicContact CB-CG 4.29Å; Q237-S250 WeakPolarHBondContact CA-OG 3.36Å; Q237-S250 PolarHBondContact NE2-O 3.29Å; Q237-K252 VanDerWaalsContact CD-CG 3.43Å; Q237-K252 HydrophobicContact CG-CB 4.41Å; Q237-K252 HydrophobicContact CG-CG 3.75Å; Q237-K252 VanDerWaalsContact OE1-CE 3.27Å
238	V	96.5	Very high	93.2	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	146.1	175.2	66.8	0	0	0	0	111.4	V169 M172 W186 Y199 E200 L201 S250	V169-V238 HydrophobicContact CB-CG1 3.75Å; V169-V238 HydrophobicContact CG1-CG1 3.71Å; V169-V238 HydrophobicContact CG2-CG1 4.03Å; M172-V238 HydrophobicContact CE-CB 4.46Å; M172-V238 HydrophobicContact CE-CG1 4.1Å; M172-V238 HydrophobicContact CG-CG1 3.68Å; M172-V238 HydrophobicContact SD-CB 3.74Å; M172-V238 HydrophobicContact SD-CG1 3.5Å; M172-V238 VanDerWaalsContact SD-CG1 3.5Å; W186-V238 HydrophobicContact CD2-CG1 4.4Å; W186-V238 HydrophobicContact CD2-CG2 4.31Å; W186-V238 HydrophobicContact CG-CG1 4.35Å; W186-V238 HydrophobicContact CZ2-CG2 4.13Å; Y199-V238 HydrophobicContact CD1-CG2 4.25Å; E200-V238 CarbonylContact O-C 3.57Å; E200-V238 WeakPolarHBondContact O-CA 3.38Å; L201-V238 HydrophobicContact CD1-CG2 4.06Å; L201-V238 HydrophobicContact CG-CB 4.16Å; L201-V238 HydrophobicContact CG-CG2 3.88Å; V238-S250 PolarHBondContact N-OG 2.85Å; V238-S250 PolarHBondContact O-N 2.76Å
239	R	97.1	Very high	93.3	Very high	56 Å²	56	43.7 Å²	43.7	21%	0.211	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	148.9	169.8	58.5	-177	-175.3	164.2	-0.9	111.1	Y199 E200 F246 G247 Y249	Y199-R239 CarbonylContact C-O 3.59Å; Y199-R239 VanDerWaalsContact CA-O 3.27Å; Y199-R239 WeakPolarHBondContact CA-O 3.28Å; E200-R239 HydrophobicContact CB-CG 4.05Å; E200-R239 PolarHBondContact N-O 3.09Å; E200-R239 PolarHBondContact O-N 3.27Å; E200-R239 IonicContact OE1-CZ 3.98Å; E200-R239 IonicContact OE1-NE 3.64Å; E200-R239 PolarHBondContact OE1-NE 3.01Å; E200-R239 IonicContact OE1-NH2 2.64Å; E200-R239 PolarHBondContact OE1-NH2 3.11Å; R239-F246 HydrophobicContact CG-CD1 3.81Å; R239-F246 HydrophobicContact CG-CE1 4.32Å; R239-G247 WeakPolarHBondContact CD-O 3.49Å; R239-Y249 HydrophobicContact CB-CD1 4.06Å; R239-Y249 HydrophobicContact CB-CE1 4.41Å; R239-Y249 HydrophobicContact CB-CG 4.34Å; R239-Y249 HydrophobicContact CG-CD1 3.88Å; R239-Y249 HydrophobicContact CG-CE1 3.73Å; R239-Y249 HydrophobicContact CG-CE2 4.49Å; R239-Y249 HydrophobicContact CG-CG 4.35Å; R239-Y249 PolarHBondContact NE-OH 3.04Å
240	A	95.8	Very high	93.4	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	162.1	173.7	0	0	0	0	0	111.5	P166 P189 I196 Y199 G247	P166-A240 HydrophobicContact CB-CB 3.99Å; P166-A240 HydrophobicContact CG-CB 3.9Å; P189-A240 HydrophobicContact CG-CB 3.59Å; I196-A240 HydrophobicContact CD1-CB 4.16Å; I196-A240 HydrophobicContact CG2-CB 4.11Å; Y199-A240 HydrophobicContact CD1-CB 3.68Å; Y199-A240 HydrophobicContact CE1-CB 3.54Å; A240-G247 PolarHBondContact O-N 2.97Å
241	R	95.1	Very high	93.3	Very high	64 Å²	64	37 Å²	37	24%	0.242	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	137.5	178.2	-176.4	169.2	65.7	87	-1.7	113	I196 L197 D198 G245 F246	I196-R241 CarbonylContact C-O 3.52Å; I196-R241 WeakPolarHBondContact CA-O 3.28Å; L197-R241 PolarHBondContact N-O 2.98Å; D198-R241 PolarHBondContact O-N 3.07Å; D198-R241 WeakPolarHBondContact OD1-CB 3.28Å; D198-R241 IonicContact OD1-CZ 2.73Å; D198-R241 IonicContact OD1-NE 2.82Å; D198-R241 PolarHBondContact OD1-NE 3.28Å; D198-R241 IonicContact OD1-NH2 2.8Å; D198-R241 PolarHBondContact OD1-NH2 2.95Å; D198-R241 IonicContact OD2-CZ 3.38Å; D198-R241 IonicContact OD2-NE 2.66Å; D198-R241 PolarHBondContact OD2-NE 3.47Å; D198-R241 IonicContact OD2-NH2 3.19Å; D198-R241 PolarHBondContact OD2-NH2 3.1Å; R241-G245 WeakPolarHBondContact CA-O 3.29Å; R241-F246 HydrophobicContact CB-CD1 3.74Å; R241-F246 HydrophobicContact CB-CE1 3.73Å; R241-F246 HydrophobicContact CB-CG 4.41Å; R241-F246 HydrophobicContact CB-CZ 4.4Å; R241-F246 HydrophobicContact CG-CD1 4.22Å; R241-F246 HydrophobicContact CG-CE1 4.24Å; R241-F246 HydrophobicContact CG-CG 4.44Å; R241-F246 HydrophobicContact CG-CZ 4.49Å
242	T	94.3	Very high	93.6	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.006	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	-175.9	166	56.3	0	0	0	0	110.1	A164 P166 P192 I196 A244 G245	A164-T242 PolarHBondContact O-OG1 3.29Å; P166-T242 HydrophobicContact CG-CG2 3.71Å; P192-T242 WeakPolarHBondContact O-CG2 3.15Å; I196-T242 HydrophobicContact CD1-CG2 4.07Å; T242-A244 PolarHBondContact O-N 2.63Å; T242-A244 PolarHBondContact OG1-N 2.84Å; T242-G245 PolarHBondContact N-O 2.04Å; T242-G245 PolarHBondContact O-N 3.21Å; T242-G245 VanDerWaalsContact O-N 3.11Å
243	V	92	Very high	93.4	Very high	102 Å²	102	41 Å²	41	62%	0.618	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-25.8	170.3	-60.6	0	0	0	0	113	Q163 L197 G245	Q163-V243 HydrophobicContact CB-CG2 3.98Å; Q163-V243 HydrophobicContact CG-CG2 4.2Å; L197-V243 HydrophobicContact CD1-CG1 3.99Å; V243-G245 VanDerWaalsContact C-N 3.28Å; V243-G245 PolarHBondContact O-N 3.45Å
244	A	89.6	Confident	93.4	Very high	55 Å²	55	42.7 Å²	42.7	46%	0.455	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-4.9	177.2	0	0	0	0	0	113.5	Q163 T242	Q163-A244 VanDerWaalsContact O-CB 3.23Å; Q163-A244 WeakPolarHBondContact O-CB 3.39Å; T242-A244 PolarHBondContact O-N 2.63Å; T242-A244 PolarHBondContact OG1-N 2.84Å
245	G	92.4	Very high	93.2	Very high	24 Å²	24	43.1 Å²	43.1	25%	0.247	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	115.7	-162.1	174.6	0	0	0	0	0	114.2	R241 T242 V243	R241-G245 WeakPolarHBondContact CA-O 3.29Å; T242-G245 PolarHBondContact N-O 2.04Å; T242-G245 PolarHBondContact O-N 3.21Å; T242-G245 VanDerWaalsContact O-N 3.11Å; V243-G245 VanDerWaalsContact C-N 3.28Å; V243-G245 PolarHBondContact O-N 3.45Å
246	F	94.8	Very high	93	Very high	54 Å²	54	47.4 Å²	47.4	24%	0.237	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	134.5	-172.6	-82.5	-70.1	0	0	0	112.9	A165 E200 R239 R241	A165-F246 WeakPolarHBondContact CB-O 3.45Å; E200-F246 HydrophobicContact CB-CD1 4.45Å; E200-F246 HydrophobicContact CB-CE1 3.57Å; E200-F246 HydrophobicContact CB-CZ 4.02Å; E200-F246 HydrophobicContact CG-CE1 4.47Å; E200-F246 WeakPolarHBondContact OE2-CZ 3.1Å; R239-F246 HydrophobicContact CG-CD1 3.81Å; R239-F246 HydrophobicContact CG-CE1 4.32Å; R241-F246 HydrophobicContact CB-CD1 3.74Å; R241-F246 HydrophobicContact CB-CE1 3.73Å; R241-F246 HydrophobicContact CB-CG 4.41Å; R241-F246 HydrophobicContact CB-CZ 4.4Å; R241-F246 HydrophobicContact CG-CD1 4.22Å; R241-F246 HydrophobicContact CG-CE1 4.24Å; R241-F246 HydrophobicContact CG-CG 4.44Å; R241-F246 HydrophobicContact CG-CZ 4.49Å
247	G	92.7	Very high	92.8	Very high	5 Å²	5	47.5 Å²	47.5	5%	0.052	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-65.3	173.7	164.4	0	0	0	0	0	112.7	P166 R239 A240	P166-G247 VanDerWaalsContact O-CA 3.23Å; P166-G247 WeakPolarHBondContact O-CA 3.34Å; R239-G247 WeakPolarHBondContact CD-O 3.49Å; A240-G247 PolarHBondContact O-N 2.97Å
248	K	94.5	Very high	92.3	Very high	169 Å²	169	48.1 Å²	48.1	74%	0.735	25%	0.254	S	S	*	.	P	Polyproline II helix	trans	-66.8	147.4	169.6	-68.5	178.5	-177.4	175.6	0	109.7	I168	I168-K248 HydrophobicContact CG2-CB 3.72Å
249	Y	95.2	Very high	91.7	Very high	40 Å²	40	50.6 Å²	50.6	16%	0.157	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-61.8	146.5	168.3	-79.1	-76.8	0	0	0	110.8	I168 E200 R202 Q237 R239	I168-Y249 WeakPolarHBondContact CG2-O 3.39Å; E200-Y249 PolarHBondContact OE1-OH 3.39Å; R202-Y249 HydrophobicContact CB-CD1 4.39Å; R202-Y249 HydrophobicContact CB-CE1 3.65Å; Q237-Y249 HydrophobicContact CB-CD1 3.8Å; Q237-Y249 HydrophobicContact CB-CG 4.29Å; R239-Y249 HydrophobicContact CB-CD1 4.06Å; R239-Y249 HydrophobicContact CB-CE1 4.41Å; R239-Y249 HydrophobicContact CB-CG 4.34Å; R239-Y249 HydrophobicContact CG-CD1 3.88Å; R239-Y249 HydrophobicContact CG-CE1 3.73Å; R239-Y249 HydrophobicContact CG-CE2 4.49Å; R239-Y249 HydrophobicContact CG-CG 4.35Å; R239-Y249 PolarHBondContact NE-OH 3.04Å
250	S	94.3	Very high	90.4	Very high	4 Å²	4	52 Å²	52	3%	0.028	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-55	169.8	168.5	68.8	0	0	0	0	112.1	V169 Q237 V238	V169-S250 VanDerWaalsContact O-CB 3.3Å; V169-S250 WeakPolarHBondContact O-CB 3.4Å; Q237-S250 WeakPolarHBondContact CA-OG 3.36Å; Q237-S250 PolarHBondContact NE2-O 3.29Å; V238-S250 PolarHBondContact N-OG 2.85Å; V238-S250 PolarHBondContact O-N 2.76Å
251	S	89.2	Confident	89.2	Confident	72 Å²	72	57.3 Å²	57.3	50%	0.503	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-52.3	155.3	159.5	52.7	0	0	0	0	111.3	M253	S251-M253 PolarHBondContact O-N 3.27Å
252	K	90.6	Very high	87.9	Confident	103 Å²	103	58.2 Å²	58.2	45%	0.448	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-75.1	119	177.1	-73.3	-177.2	177.2	-165.2	0	109.7	Y204 E210 V235 Q237	Y204-K252 PolarHBondContact OH-NZ 3.41Å; E210-K252 WeakPolarHBondContact OE2-CE 3.29Å; E210-K252 IonicContact OE2-NZ 3.42Å; E210-K252 PolarHBondContact OE2-NZ 2.87Å; V235-K252 HydrophobicContact CG1-CB 3.83Å; V235-K252 HydrophobicContact CG1-CD 4.22Å; V235-K252 HydrophobicContact CG1-CG 4.02Å; Q237-K252 VanDerWaalsContact CD-CG 3.43Å; Q237-K252 HydrophobicContact CG-CB 4.41Å; Q237-K252 HydrophobicContact CG-CG 3.75Å; Q237-K252 VanDerWaalsContact OE1-CE 3.27Å
253	M	87.9	Confident	86.5	Confident	38 Å²	38	62.2 Å²	62.2	19%	0.187	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	143.7	-177.2	-60.3	-169.8	68.1	0	0	110.4	I171 M172 V235 V236 S251 F255	I171-M253 HydrophobicContact CG1-CE 3.73Å; I171-M253 HydrophobicContact CG1-SD 4.42Å; M172-M253 HydrophobicContact CB-CE 4.39Å; M172-M253 HydrophobicContact CB-SD 3.87Å; M172-M253 HydrophobicContact CE-CB 4.05Å; M172-M253 HydrophobicContact CE-CG 4.03Å; M172-M253 HydrophobicContact CE-SD 3.75Å; M172-M253 HydrophobicContact CG-SD 4.38Å; M172-M253 PolarHBondContact N-SD 3.48Å; M172-M253 WeakPolarHBondContact O-CE 3.05Å; V235-M253 CarbonylContact C-O 3.51Å; V235-M253 WeakPolarHBondContact CA-O 3.16Å; V236-M253 PolarHBondContact N-O 3.01Å; V236-M253 PolarHBondContact O-N 2.62Å; S251-M253 PolarHBondContact O-N 3.27Å; M253-F255 HydrophobicContact CB-CD2 4.45Å; M253-F255 HydrophobicContact CB-CE2 3.62Å; M253-F255 HydrophobicContact CB-CZ 3.98Å; M253-F255 HydrophobicContact CE-CZ 4.03Å; M253-F255 HydrophobicContact SD-CZ 4.46Å
254	C	91.7	Very high	85.2	Confident	74 Å²	74	61.9 Å²	61.9	50%	0.5	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	131.7	-179.9	-67.2	0	0	0	0	110.9	V233 Y234	V233-C254 HydrophobicContact CG1-CB 3.88Å; Y234-C254 WeakPolarHBondContact O-CA 3.37Å
255	F	88.9	Confident	84.1	Confident	17 Å²	17	62.5 Å²	62.5	8%	0.075	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	153.1	177.7	-64.6	-68.7	0	0	0	110.1	M172 Q174 F182 L184 V233 Y234 V236 M253	M172-F255 HydrophobicContact CB-CE2 4.09Å; M172-F255 HydrophobicContact CB-CZ 3.68Å; M172-F255 HydrophobicContact CE-CE2 4.17Å; M172-F255 WeakPolarHBondContact O-CZ 3.43Å; M172-F255 HydrophobicContact SD-CE2 4.47Å; Q174-F255 HydrophobicContact CB-CD1 3.87Å; Q174-F255 HydrophobicContact CB-CE1 4.13Å; Q174-F255 HydrophobicContact CG-CD1 4.47Å; F182-F255 HydrophobicContact CD1-CB 4.14Å; F182-F255 HydrophobicContact CD2-CB 4.49Å; F182-F255 HydrophobicContact CE1-CB 3.7Å; F182-F255 HydrophobicContact CE2-CB 4.1Å; F182-F255 HydrophobicContact CZ-CB 3.7Å; L184-F255 HydrophobicContact CD1-CD2 3.72Å; L184-F255 HydrophobicContact CD1-CE2 3.66Å; L184-F255 HydrophobicContact CD1-CG 4.34Å; L184-F255 HydrophobicContact CD1-CZ 4.26Å; L184-F255 HydrophobicContact CD2-CB 4.45Å; L184-F255 HydrophobicContact CD2-CD1 3.66Å; L184-F255 HydrophobicContact CD2-CD2 3.92Å; L184-F255 HydrophobicContact CD2-CE1 3.8Å; L184-F255 HydrophobicContact CD2-CE2 4.05Å; L184-F255 HydrophobicContact CD2-CG 3.72Å; L184-F255 HydrophobicContact CD2-CZ 3.99Å; L184-F255 HydrophobicContact CG-CD2 4.5Å; V233-F255 CarbonylContact C-O 3.59Å; V233-F255 WeakPolarHBondContact CA-O 3.49Å; Y234-F255 PolarHBondContact N-O 3.25Å; Y234-F255 PolarHBondContact O-N 2.76Å; V236-F255 HydrophobicContact CB-CD2 3.85Å; V236-F255 HydrophobicContact CB-CE2 4.1Å; V236-F255 HydrophobicContact CG2-CD2 3.7Å; V236-F255 HydrophobicContact CG2-CE2 4.43Å; M253-F255 HydrophobicContact CB-CD2 4.45Å; M253-F255 HydrophobicContact CB-CE2 3.62Å; M253-F255 HydrophobicContact CB-CZ 3.98Å; M253-F255 HydrophobicContact CE-CZ 4.03Å; M253-F255 HydrophobicContact SD-CZ 4.46Å
256	Q	89.8	Confident	82.7	Confident	99 Å²	99	65.8 Å²	65.8	46%	0.463	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	130.4	-171	-163.5	175.4	4.5	0	0	111.9	Q174 S177 G231 V233	Q174-Q256 PolarHBondContact NE2-O 2.81Å; S177-Q256 PolarHBondContact OG-O 2.66Å; G231-Q256 PolarHBondContact O-NE2 2.81Å; V233-Q256 HydrophobicContact CG2-CB 4.35Å; V233-Q256 HydrophobicContact CG2-CG 3.92Å
257	T	90.4	Very high	81.1	Confident	2 Å²	2	67.9 Å²	67.9	1%	0.012	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-70.1	146.6	166.9	52.1	0	0	0	0	110.9	S177 T178 F182 L228 R229 G231 T232 Y234	S177-T257 WeakPolarHBondContact OG-CA 3.47Å; T178-T257 CarbonylContact O-C 3.51Å; T178-T257 WeakPolarHBondContact O-CA 3.47Å; T178-T257 VanDerWaalsContact O-CB 3.31Å; T178-T257 WeakPolarHBondContact O-CB 3.38Å; F182-T257 HydrophobicContact CD1-CG2 4.38Å; L228-T257 HydrophobicContact CB-CG2 3.57Å; L228-T257 HydrophobicContact CD1-CG2 3.78Å; L228-T257 HydrophobicContact CG-CG2 4.34Å; R229-T257 PolarHBondContact O-OG1 2.91Å; G231-T257 WeakPolarHBondContact CA-O 3.34Å; G231-T257 PolarHBondContact N-O 2.85Å; G231-T257 PolarHBondContact N-OG1 2.9Å; T232-T257 PolarHBondContact N-OG1 2.87Å; T232-T257 PolarHBondContact O-N 2.81Å; T232-T257 PolarHBondContact O-OG1 2.64Å; Y234-T257 HydrophobicContact CE2-CG2 4.43Å
258	L	86.5	Confident	79.6	Confident	31 Å²	31	77 Å²	77	16%	0.162	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-59.5	152.4	176.3	-57.5	179.5	0	0	0	112.6	T178 M179 G231 D262 F263 E266	T178-L258 PolarHBondContact O-N 3.37Å; M179-L258 HydrophobicContact CG-CB 4.47Å; G231-L258 PolarHBondContact N-O 2.84Å; L258-D262 HydrophobicContact CB-CB 4.21Å; L258-D262 HydrophobicContact CD2-CB 4.27Å; L258-F263 HydrophobicContact CB-CB 4.47Å; L258-F263 HydrophobicContact CD1-CB 4.32Å; L258-F263 HydrophobicContact CD1-CD2 4.14Å; L258-E266 VanDerWaalsContact CD1-OE2 3.29Å; L258-E266 WeakPolarHBondContact CD1-OE2 3.39Å
259	T	83.6	Confident	78	Confident	53 Å²	53	75.9 Å²	75.9	33%	0.325	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-79.6	169.5	162	72.2	0	0	0	0	111	D261 D262 F263	T259-D261 PolarHBondContact O-N 2.93Å; T259-D261 PolarHBondContact OG1-N 2.83Å; T259-D262 VanDerWaalsContact CB-OD2 3.27Å; T259-D262 WeakPolarHBondContact CB-OD2 3.45Å; T259-D262 WeakPolarHBondContact CG2-OD2 3.43Å; T259-D262 PolarHBondContact N-OD2 2.85Å; T259-D262 PolarHBondContact O-N 2.87Å; T259-D262 PolarHBondContact OG1-N 3.11Å; T259-D262 PolarHBondContact OG1-OD2 3.11Å; T259-F263 WeakPolarHBondContact O-CB 3.37Å; T259-F263 PolarHBondContact O-N 2.77Å; T259-F263 VanDerWaalsContact O-N 3.11Å
260	D	69	Low	76.2	Confident	84 Å²	84	79.2 Å²	79.2	45%	0.449	40%	0.397	S	S	.	.	H	α-helix	trans	-63.1	-30.2	176.3	-171.7	41.2	0	0	0	112.3	M179 K264	M179-D260 HydrophobicContact CE-CB 3.62Å; D260-K264 VanDerWaalsContact O-CD 3.29Å; D260-K264 WeakPolarHBondContact O-CD 3.4Å; D260-K264 WeakPolarHBondContact O-CE 3.25Å; D260-K264 WeakPolarHBondContact O-CG 3.46Å; D260-K264 PolarHBondContact O-N 3.38Å; D260-K264 WeakPolarHBondContact OD1-CE 3.39Å; D260-K264 IonicContact OD1-NZ 3.67Å; D260-K264 VanDerWaalsContact OD2-CE 3.23Å; D260-K264 WeakPolarHBondContact OD2-CE 3.32Å; D260-K264 IonicContact OD2-NZ 3.23Å; D260-K264 PolarHBondContact OD2-NZ 3Å
261	D	70.1	Confident	74.5	Confident	113 Å²	113	84 Å²	84	60%	0.604	42%	0.422	S	S	*	.	H	α-helix	trans	-85.5	-34.8	178.4	-67.7	-29.9	0	0	0	112.9	T259 F263 K264 S265	T259-D261 PolarHBondContact O-N 2.93Å; T259-D261 PolarHBondContact OG1-N 2.83Å; D261-F263 VanDerWaalsContact C-N 3.32Å; D261-F263 PolarHBondContact O-N 3.24Å; D261-K264 PolarHBondContact O-N 2.62Å; D261-K264 IonicContact OD1-NZ 3.16Å; D261-K264 PolarHBondContact OD1-NZ 2.69Å; D261-S265 PolarHBondContact O-N 3.44Å
262	D	69.4	Low	72.9	Confident	82 Å²	82	84.6 Å²	84.6	44%	0.439	42%	0.424	S	S	.	.	H	α-helix	trans	-59.4	-45.2	170.8	-60.5	-52	0	0	0	110.9	L258 T259 K264 S265 E266	L258-D262 HydrophobicContact CB-CB 4.21Å; L258-D262 HydrophobicContact CD2-CB 4.27Å; T259-D262 VanDerWaalsContact CB-OD2 3.27Å; T259-D262 WeakPolarHBondContact CB-OD2 3.45Å; T259-D262 WeakPolarHBondContact CG2-OD2 3.43Å; T259-D262 PolarHBondContact N-OD2 2.85Å; T259-D262 PolarHBondContact O-N 2.87Å; T259-D262 PolarHBondContact OG1-N 3.11Å; T259-D262 PolarHBondContact OG1-OD2 3.11Å; D262-K264 PolarHBondContact O-N 2.77Å; D262-S265 WeakPolarHBondContact O-CA 3.48Å; D262-S265 WeakPolarHBondContact O-CB 3.42Å; D262-S265 PolarHBondContact O-N 3.1Å; D262-E266 PolarHBondContact O-N 2.89Å
263	F	64.6	Low	71.3	Confident	85 Å²	85	86.2 Å²	86.2	37%	0.373	44%	0.437	S	S	.	.	H	α-helix	trans	-63.9	-39.2	-179.6	-179	-111.8	0	0	0	112.4	M179 L258 T259 D261 S265 L267	M179-F263 HydrophobicContact CG-CB 3.89Å; M179-F263 HydrophobicContact CG-CD1 4.43Å; M179-F263 HydrophobicContact CG-CG 4.08Å; M179-F263 HydrophobicContact SD-CB 3.96Å; M179-F263 HydrophobicContact SD-CD1 3.74Å; M179-F263 HydrophobicContact SD-CG 3.96Å; L258-F263 HydrophobicContact CB-CB 4.47Å; L258-F263 HydrophobicContact CD1-CB 4.32Å; L258-F263 HydrophobicContact CD1-CD2 4.14Å; T259-F263 WeakPolarHBondContact O-CB 3.37Å; T259-F263 PolarHBondContact O-N 2.77Å; T259-F263 VanDerWaalsContact O-N 3.11Å; D261-F263 VanDerWaalsContact C-N 3.32Å; D261-F263 PolarHBondContact O-N 3.24Å; F263-S265 VanDerWaalsContact C-N 3.3Å; F263-S265 PolarHBondContact O-N 2.81Å; F263-L267 WeakPolarHBondContact O-CB 3.5Å; F263-L267 PolarHBondContact O-N 2.88Å; F263-L267 VanDerWaalsContact O-N 3.09Å
264	K	63.9	Low	69.9	Low	95 Å²	95	89.7 Å²	89.7	41%	0.413	46%	0.455	S	S	.	.	H	α-helix	trans	-64.6	-34.4	171.6	-68	163	-152.2	154.9	0	112	D260 D261 D262 R268	D260-K264 VanDerWaalsContact O-CD 3.29Å; D260-K264 WeakPolarHBondContact O-CD 3.4Å; D260-K264 WeakPolarHBondContact O-CE 3.25Å; D260-K264 WeakPolarHBondContact O-CG 3.46Å; D260-K264 PolarHBondContact O-N 3.38Å; D260-K264 WeakPolarHBondContact OD1-CE 3.39Å; D260-K264 IonicContact OD1-NZ 3.67Å; D260-K264 VanDerWaalsContact OD2-CE 3.23Å; D260-K264 WeakPolarHBondContact OD2-CE 3.32Å; D260-K264 IonicContact OD2-NZ 3.23Å; D260-K264 PolarHBondContact OD2-NZ 3Å; D261-K264 PolarHBondContact O-N 2.62Å; D261-K264 IonicContact OD1-NZ 3.16Å; D261-K264 PolarHBondContact OD1-NZ 2.69Å; D262-K264 PolarHBondContact O-N 2.77Å; K264-R268 VanDerWaalsContact O-CB 3.28Å; K264-R268 WeakPolarHBondContact O-CB 3.35Å; K264-R268 PolarHBondContact O-N 2.88Å; K264-R268 VanDerWaalsContact O-N 3.16Å
265	S	66.3	Low	68.2	Low	68 Å²	68	89.3 Å²	89.3	48%	0.476	46%	0.457	S	S	.	.	H	α-helix	trans	-68.9	-48.8	177.3	-162.8	0	0	0	0	111.7	D261 D262 F263 L267 R268 E269	D261-S265 PolarHBondContact O-N 3.44Å; D262-S265 WeakPolarHBondContact O-CA 3.48Å; D262-S265 WeakPolarHBondContact O-CB 3.42Å; D262-S265 PolarHBondContact O-N 3.1Å; F263-S265 VanDerWaalsContact C-N 3.3Å; F263-S265 PolarHBondContact O-N 2.81Å; S265-L267 PolarHBondContact O-N 2.84Å; S265-R268 WeakPolarHBondContact O-CA 3.25Å; S265-R268 WeakPolarHBondContact O-CB 3.21Å; S265-R268 PolarHBondContact O-N 2.88Å; S265-E269 PolarHBondContact O-N 2.96Å; S265-E269 VanDerWaalsContact O-N 3.07Å
266	E	62.6	Low	66.8	Low	94 Å²	94	90.4 Å²	90.4	44%	0.439	47%	0.473	S	S	.	.	H	α-helix	trans	-63.3	-40.2	179.7	-167.1	172.9	-144.5	0	0	111.9	L258 D262 R268 E269 Q270	L258-E266 VanDerWaalsContact CD1-OE2 3.29Å; L258-E266 WeakPolarHBondContact CD1-OE2 3.39Å; D262-E266 PolarHBondContact O-N 2.89Å; E266-R268 VanDerWaalsContact C-N 3.28Å; E266-R268 PolarHBondContact O-N 3.25Å; E266-E269 PolarHBondContact O-N 2.85Å; E266-Q270 PolarHBondContact O-N 3.49Å
267	L	62.7	Low	65.5	Low	97 Å²	97	89.6 Å²	89.6	51%	0.508	48%	0.479	S	S	.	.	H	α-helix	trans	-62.8	-34.5	172.5	-171.9	66.7	0	0	0	112.4	F263 S265 Q270 L271	F263-L267 WeakPolarHBondContact O-CB 3.5Å; F263-L267 PolarHBondContact O-N 2.88Å; F263-L267 VanDerWaalsContact O-N 3.09Å; S265-L267 PolarHBondContact O-N 2.84Å; L267-Q270 PolarHBondContact O-N 2.91Å; L267-L271 PolarHBondContact O-N 3.01Å
268	R	61.2	Low	64.2	Low	197 Å²	197	92.6 Å²	92.6	74%	0.743	50%	0.504	S	S	*	.	H	α-helix	trans	-72.2	-28.1	178.3	-171.2	176.8	-175.1	171.6	1.4	112.9	K264 S265 E266 P272	K264-R268 VanDerWaalsContact O-CB 3.28Å; K264-R268 WeakPolarHBondContact O-CB 3.35Å; K264-R268 PolarHBondContact O-N 2.88Å; K264-R268 VanDerWaalsContact O-N 3.16Å; S265-R268 WeakPolarHBondContact O-CA 3.25Å; S265-R268 WeakPolarHBondContact O-CB 3.21Å; S265-R268 PolarHBondContact O-N 2.88Å; E266-R268 VanDerWaalsContact C-N 3.28Å; E266-R268 PolarHBondContact O-N 3.25Å; R268-P272 WeakPolarHBondContact O-CD 3.36Å
269	E	59.2	Low	63.3	Low	145 Å²	145	93.7 Å²	93.7	68%	0.678	52%	0.517	S	S	*	.	H	α-helix	trans	-77.9	-28.8	173.3	-67.7	-159.5	143.1	0	0	113.4	S265 E266 P272	S265-E269 PolarHBondContact O-N 2.96Å; S265-E269 VanDerWaalsContact O-N 3.07Å; E266-E269 PolarHBondContact O-N 2.85Å; E269-P272 WeakPolarHBondContact O-CD 3.28Å
270	Q	57.7	Low	62.4	Low	111 Å²	111	94 Å²	94	52%	0.519	53%	0.525	S	S	.	.	H	α-helix	trans	-79.1	-28.4	176.9	-66.4	-164.9	9.7	0	0	114	E266 L267 L273 I274	E266-Q270 PolarHBondContact O-N 3.49Å; L267-Q270 PolarHBondContact O-N 2.91Å; Q270-L273 WeakPolarHBondContact O-CB 3.42Å; Q270-L273 PolarHBondContact O-N 2.89Å; Q270-L273 VanDerWaalsContact O-N 3.07Å; Q270-I274 PolarHBondContact O-N 2.94Å
271	L	58.3	Low	62.5	Low	105 Å²	105	91.7 Å²	91.7	55%	0.55	52%	0.521	S	S	.	.	H	α-helix	trans	-52.8	-46.6	177.9	-89.4	161.6	0	0	0	113.8	L267 L273 I274 A275	L267-L271 PolarHBondContact O-N 3.01Å; L271-L273 PolarHBondContact O-N 2.86Å; L271-I274 PolarHBondContact O-N 2.95Å; L271-A275 WeakPolarHBondContact O-CB 3.08Å; L271-A275 PolarHBondContact O-N 2.99Å
272	P	57.3	Low	62.9	Low	83 Å²	83	90.8 Å²	90.8	54%	0.539	52%	0.519	S	S	.	.	H	α-helix	trans	-57.4	-38.9	172.1	-28.8	35	0	0	0	115.3	R268 E269 G276	R268-P272 WeakPolarHBondContact O-CD 3.36Å; E269-P272 WeakPolarHBondContact O-CD 3.28Å; P272-G276 PolarHBondContact O-N 2.82Å
273	L	56	Low	63.3	Low	137 Å²	137	91.4 Å²	91.4	72%	0.717	53%	0.525	S	S	*	.	H	α-helix	trans	-64.7	-46.1	178.6	-104.9	77.2	0	0	0	111.3	Q270 L271 G276 S277	Q270-L273 WeakPolarHBondContact O-CB 3.42Å; Q270-L273 PolarHBondContact O-N 2.89Å; Q270-L273 VanDerWaalsContact O-N 3.07Å; L271-L273 PolarHBondContact O-N 2.86Å; L273-G276 PolarHBondContact O-N 2.83Å; L273-S277 PolarHBondContact O-N 2.69Å
274	I	58.1	Low	63.9	Low	112 Å²	112	93.7 Å²	93.7	57%	0.574	54%	0.536	S	S	*	.	H	α-helix	trans	-63.7	-48.2	-180	-62.2	168.2	0	0	0	109.6	Q270 L271 G276 S277 A278	Q270-I274 PolarHBondContact O-N 2.94Å; L271-I274 PolarHBondContact O-N 2.95Å; I274-G276 PolarHBondContact O-N 3.47Å; I274-S277 PolarHBondContact O-N 2.66Å; I274-S277 PolarHBondContact O-OG 2.92Å; I274-A278 PolarHBondContact O-N 3.4Å
275	A	56.6	Low	64.7	Low	65 Å²	65	94 Å²	94	54%	0.537	54%	0.541	S	S	.	.	H	α-helix	trans	-61.8	-41.2	177.4	0	0	0	0	0	112.9	L271 S277 A278 A279	L271-A275 WeakPolarHBondContact O-CB 3.08Å; L271-A275 PolarHBondContact O-N 2.99Å; A275-S277 VanDerWaalsContact C-N 3.35Å; A275-S277 PolarHBondContact O-N 2.64Å; A275-A278 PolarHBondContact O-N 3.4Å; A275-A279 PolarHBondContact O-N 2.87Å
276	G	59.1	Low	65.5	Low	40 Å²	40	95.1 Å²	95.1	41%	0.412	54%	0.544	S	S	.	.	H	α-helix	trans	-62.2	-38.7	176.8	0	0	0	0	0	113.1	P272 L273 I274 A278 A279 A280	P272-G276 PolarHBondContact O-N 2.82Å; L273-G276 PolarHBondContact O-N 2.83Å; I274-G276 PolarHBondContact O-N 3.47Å; G276-A278 PolarHBondContact O-N 3.05Å; G276-A279 PolarHBondContact O-N 2.87Å; G276-A280 WeakPolarHBondContact O-CB 3.44Å; G276-A280 PolarHBondContact O-N 3.11Å
277	S	62.9	Low	66.1	Low	83 Å²	83	93.2 Å²	93.2	58%	0.58	54%	0.542	S	S	*	.	H	α-helix	trans	-63.4	-40.4	177.7	76.5	0	0	0	0	112.5	L273 I274 A275 G281	L273-S277 PolarHBondContact O-N 2.69Å; I274-S277 PolarHBondContact O-N 2.66Å; I274-S277 PolarHBondContact O-OG 2.92Å; A275-S277 VanDerWaalsContact C-N 3.35Å; A275-S277 PolarHBondContact O-N 2.64Å; S277-G281 PolarHBondContact O-N 2.94Å
278	A	63.2	Low	66.9	Low	65 Å²	65	93 Å²	93	54%	0.537	54%	0.54	S	S	.	.	H	α-helix	trans	-68	-43.7	175.6	0	0	0	0	0	112	I274 A275 G276 A280 G281 V282	I274-A278 PolarHBondContact O-N 3.4Å; A275-A278 PolarHBondContact O-N 3.4Å; G276-A278 PolarHBondContact O-N 3.05Å; A278-A280 PolarHBondContact O-N 2.9Å; A278-G281 PolarHBondContact O-N 2.98Å; A278-V282 PolarHBondContact O-N 2.7Å
279	A	67.4	Low	67.8	Low	54 Å²	54	88.3 Å²	88.3	45%	0.446	53%	0.529	S	S	.	.	H	α-helix	trans	-61.5	-41.8	178.2	0	0	0	0	0	112.4	A275 G276 G281 V282 V283	A275-A279 PolarHBondContact O-N 2.87Å; G276-A279 PolarHBondContact O-N 2.87Å; A279-G281 VanDerWaalsContact C-N 3.33Å; A279-G281 PolarHBondContact O-N 2.95Å; A279-V282 PolarHBondContact O-N 2.91Å; A279-V283 WeakPolarHBondContact O-CG2 3.25Å; A279-V283 PolarHBondContact O-N 3.25Å; A279-V283 VanDerWaalsContact O-N 3.12Å
280	A	65.1	Low	68.7	Low	60 Å²	60	83.9 Å²	83.9	50%	0.496	52%	0.517	S	S	.	.	H	α-helix	trans	-60.8	-39.8	176.6	0	0	0	0	0	112.5	G276 A278 V282 V283 F284	G276-A280 WeakPolarHBondContact O-CB 3.44Å; G276-A280 PolarHBondContact O-N 3.11Å; A278-A280 PolarHBondContact O-N 2.9Å; A280-V282 PolarHBondContact O-N 3.19Å; A280-V283 PolarHBondContact O-N 2.81Å; A280-F284 WeakPolarHBondContact O-CB 3.42Å; A280-F284 PolarHBondContact O-N 2.63Å
281	G	71.1	Confident	69.6	Low	34 Å²	34	83.3 Å²	83.3	35%	0.351	52%	0.517	S	S	.	.	H	α-helix	trans	-60.6	-42.3	175.1	0	0	0	0	0	113.3	S277 A278 A279 F284 I285	S277-G281 PolarHBondContact O-N 2.94Å; A278-G281 PolarHBondContact O-N 2.98Å; A279-G281 VanDerWaalsContact C-N 3.33Å; A279-G281 PolarHBondContact O-N 2.95Å; G281-F284 PolarHBondContact O-N 3.47Å; G281-I285 WeakPolarHBondContact O-CG1 3.45Å; G281-I285 PolarHBondContact O-N 2.98Å; G281-I285 VanDerWaalsContact O-N 3.1Å
282	V	77.4	Confident	70.3	Confident	95 Å²	95	82 Å²	82	58%	0.576	52%	0.516	S	S	*	.	H	α-helix	trans	-64.4	-45.1	176.7	177.5	0	0	0	0	111.3	A278 A279 A280 F284 I285 V286	A278-V282 PolarHBondContact O-N 2.7Å; A279-V282 PolarHBondContact O-N 2.91Å; A280-V282 PolarHBondContact O-N 3.19Å; V282-F284 VanDerWaalsContact C-N 3.31Å; V282-F284 PolarHBondContact O-N 3.19Å; V282-I285 PolarHBondContact O-N 3.4Å; V282-V286 WeakPolarHBondContact O-CG2 3.43Å; V282-V286 PolarHBondContact O-N 3.12Å
283	V	78.3	Confident	71.1	Confident	94 Å²	94	82.4 Å²	82.4	57%	0.57	51%	0.513	S	S	*	.	H	α-helix	trans	-62.4	-38.1	177.9	174.2	0	0	0	0	111.7	A279 A280 V286 S287	A279-V283 WeakPolarHBondContact O-CG2 3.25Å; A279-V283 PolarHBondContact O-N 3.25Å; A279-V283 VanDerWaalsContact O-N 3.12Å; A280-V283 PolarHBondContact O-N 2.81Å; V283-V286 PolarHBondContact O-N 2.91Å; V283-S287 WeakPolarHBondContact O-CB 3.17Å; V283-S287 PolarHBondContact O-N 3.01Å; V283-S287 PolarHBondContact O-OG 2.92Å
284	F	78.1	Confident	71.8	Confident	134 Å²	134	80.3 Å²	80.3	59%	0.588	51%	0.506	S	S	*	.	H	α-helix	trans	-63.7	-44.4	175.4	-171.3	-108.6	0	0	0	112.3	A280 G281 V282 S287 L288	A280-F284 WeakPolarHBondContact O-CB 3.42Å; A280-F284 PolarHBondContact O-N 2.63Å; G281-F284 PolarHBondContact O-N 3.47Å; V282-F284 VanDerWaalsContact C-N 3.31Å; V282-F284 PolarHBondContact O-N 3.19Å; F284-S287 WeakPolarHBondContact O-CB 3.4Å; F284-S287 PolarHBondContact O-N 2.68Å; F284-L288 HydrophobicContact CD1-CD1 3.98Å; F284-L288 HydrophobicContact CE1-CD1 3.65Å; F284-L288 HydrophobicContact CE1-CG 4.33Å; F284-L288 HydrophobicContact CZ-CD1 4.21Å; F284-L288 WeakPolarHBondContact O-CG 3.28Å; F284-L288 PolarHBondContact O-N 3.28Å
285	I	80.8	Confident	71.9	Confident	102 Å²	102	78.7 Å²	78.7	52%	0.523	50%	0.504	S	S	.	.	H	α-helix	trans	-61.8	-46.2	176.9	-68.3	165.2	0	0	0	111.1	G281 V282 S287 L288 I289	G281-I285 WeakPolarHBondContact O-CG1 3.45Å; G281-I285 PolarHBondContact O-N 2.98Å; G281-I285 VanDerWaalsContact O-N 3.1Å; V282-I285 PolarHBondContact O-N 3.4Å; I285-S287 VanDerWaalsContact C-N 3.28Å; I285-S287 PolarHBondContact O-N 3.28Å; I285-L288 PolarHBondContact O-N 3.04Å; I285-I289 HydrophobicContact CG2-CD1 4.05Å; I285-I289 WeakPolarHBondContact O-CG1 3.48Å; I285-I289 PolarHBondContact O-N 3.34Å; I285-I289 VanDerWaalsContact O-N 3.13Å
286	V	81.8	Confident	72.1	Confident	90 Å²	90	79.2 Å²	79.2	55%	0.545	50%	0.503	S	S	.	.	H	α-helix	trans	-60	-39.7	176.2	173.4	0	0	0	0	111.4	V282 V283 I289 A290	V282-V286 WeakPolarHBondContact O-CG2 3.43Å; V282-V286 PolarHBondContact O-N 3.12Å; V283-V286 PolarHBondContact O-N 2.91Å; V286-I289 PolarHBondContact O-N 3.04Å; V286-A290 PolarHBondContact O-N 2.78Å
287	S	75.7	Confident	72	Confident	55 Å²	55	87.2 Å²	87.2	39%	0.385	52%	0.521	S	S	.	.	H	α-helix	trans	-64.2	-42.2	177.9	-58.3	0	0	0	0	112.4	V283 F284 I285 A290 I291	V283-S287 WeakPolarHBondContact O-CB 3.17Å; V283-S287 PolarHBondContact O-N 3.01Å; V283-S287 PolarHBondContact O-OG 2.92Å; F284-S287 WeakPolarHBondContact O-CB 3.4Å; F284-S287 PolarHBondContact O-N 2.68Å; I285-S287 VanDerWaalsContact C-N 3.28Å; I285-S287 PolarHBondContact O-N 3.28Å; S287-A290 PolarHBondContact O-N 3.12Å; S287-I291 VanDerWaalsContact O-CG1 3.3Å; S287-I291 WeakPolarHBondContact O-CG1 3.3Å; S287-I291 PolarHBondContact O-N 3.4Å
288	L	78.7	Confident	71.4	Confident	92 Å²	92	91.3 Å²	91.3	48%	0.482	53%	0.528	S	S	.	.	H	α-helix	trans	-64.1	-39.7	176.4	-70.6	174.9	0	0	0	112.4	F284 I285 I291 S292	F284-L288 HydrophobicContact CD1-CD1 3.98Å; F284-L288 HydrophobicContact CE1-CD1 3.65Å; F284-L288 HydrophobicContact CE1-CG 4.33Å; F284-L288 HydrophobicContact CZ-CD1 4.21Å; F284-L288 WeakPolarHBondContact O-CG 3.28Å; F284-L288 PolarHBondContact O-N 3.28Å; I285-L288 PolarHBondContact O-N 3.04Å; L288-I291 PolarHBondContact O-N 3.41Å; L288-S292 PolarHBondContact O-N 3.12Å
289	I	81.6	Confident	70.4	Confident	99 Å²	99	99.4 Å²	99.4	51%	0.508	55%	0.545	S	S	.	.	H	α-helix	trans	-62.7	-45.6	175.7	-66.3	165.4	0	0	0	110.3	I285 V286 I291 S292 I293	I285-I289 HydrophobicContact CG2-CD1 4.05Å; I285-I289 WeakPolarHBondContact O-CG1 3.48Å; I285-I289 PolarHBondContact O-N 3.34Å; I285-I289 VanDerWaalsContact O-N 3.13Å; V286-I289 PolarHBondContact O-N 3.04Å; I289-I291 PolarHBondContact O-N 3.38Å; I289-S292 PolarHBondContact O-N 2.92Å; I289-I293 HydrophobicContact CG2-CD1 4.03Å; I289-I293 WeakPolarHBondContact O-CG1 3.24Å; I289-I293 PolarHBondContact O-N 2.93Å; I289-I293 VanDerWaalsContact O-N 3.09Å
290	A	76.5	Confident	69.4	Low	52 Å²	52	101 Å²	101	43%	0.43	56%	0.558	S	S	.	*	H	α-helix	trans	-60.8	-43.9	176.8	0	0	0	0	0	112.3	V286 S287 S292 I293 V294	V286-A290 PolarHBondContact O-N 2.78Å; S287-A290 PolarHBondContact O-N 3.12Å; A290-S292 PolarHBondContact O-N 3.06Å; A290-I293 PolarHBondContact O-N 2.79Å; A290-V294 WeakPolarHBondContact O-CG2 3.15Å; A290-V294 PolarHBondContact O-N 3.48Å
291	I	78	Confident	68.4	Low	99 Å²	99	108.3 Å²	108.3	51%	0.508	57%	0.574	S	S	.	*	H	α-helix	trans	-61.4	-42.9	176.2	-69.2	164.9	0	0	0	110.9	S287 L288 I289 I293 V294 C295	S287-I291 VanDerWaalsContact O-CG1 3.3Å; S287-I291 WeakPolarHBondContact O-CG1 3.3Å; S287-I291 PolarHBondContact O-N 3.4Å; L288-I291 PolarHBondContact O-N 3.41Å; I289-I291 PolarHBondContact O-N 3.38Å; I291-I293 VanDerWaalsContact C-N 3.32Å; I291-I293 PolarHBondContact O-N 3.43Å; I291-V294 PolarHBondContact O-N 2.79Å; I291-C295 WeakPolarHBondContact O-CB 3.16Å; I291-C295 PolarHBondContact O-N 3.5Å; I291-C295 PolarHBondContact O-SG 3.3Å; I291-C295 VanDerWaalsContact O-SG 3.4Å
292	S	72.5	Confident	66.7	Low	77 Å²	77	113.2 Å²	113.2	54%	0.538	60%	0.597	S	S	.	*	H	α-helix	trans	-60.3	-39.3	176.3	-173.4	0	0	0	0	112.8	L288 I289 A290 S296	L288-S292 PolarHBondContact O-N 3.12Å; I289-S292 PolarHBondContact O-N 2.92Å; A290-S292 PolarHBondContact O-N 3.06Å; S292-S296 WeakPolarHBondContact O-CB 3.41Å; S292-S296 PolarHBondContact O-N 3.39Å; S292-S296 PolarHBondContact O-OG 3.33Å
293	I	74.3	Confident	64.4	Low	91 Å²	91	117.1 Å²	117.1	47%	0.467	61%	0.607	S	S	.	*	H	α-helix	trans	-67.5	-38.7	176.1	-65.9	164.8	0	0	0	111.1	I289 A290 I291 S296 R297	I289-I293 HydrophobicContact CG2-CD1 4.03Å; I289-I293 WeakPolarHBondContact O-CG1 3.24Å; I289-I293 PolarHBondContact O-N 2.93Å; I289-I293 VanDerWaalsContact O-N 3.09Å; A290-I293 PolarHBondContact O-N 2.79Å; I291-I293 VanDerWaalsContact C-N 3.32Å; I291-I293 PolarHBondContact O-N 3.43Å; I293-S296 WeakPolarHBondContact CA-OG 3.44Å; I293-S296 PolarHBondContact O-OG 3.39Å; I293-S296 VanDerWaalsContact O-OG 3.07Å; I293-R297 WeakPolarHBondContact O-CG 3.38Å; I293-R297 PolarHBondContact O-N 3.33Å
294	V	71.2	Confident	62.1	Low	94 Å²	94	120.9 Å²	120.9	57%	0.57	62%	0.618	S	S	*	*	H	α-helix	trans	-69.8	-46	176.4	173.4	0	0	0	0	111.2	A290 I291 S296 R297 K298	A290-V294 WeakPolarHBondContact O-CG2 3.15Å; A290-V294 PolarHBondContact O-N 3.48Å; I291-V294 PolarHBondContact O-N 2.79Å; V294-S296 PolarHBondContact O-N 2.89Å; V294-R297 PolarHBondContact O-N 3.39Å; V294-K298 WeakPolarHBondContact O-CB 3.36Å; V294-K298 PolarHBondContact O-N 3.19Å
295	C	60.3	Low	59.8	Low	78 Å²	78	118.6 Å²	118.6	53%	0.527	62%	0.624	S	S	.	*	H	α-helix	trans	-65.7	-36.4	-179.9	-72.4	0	0	0	0	113.1	I291 R299	I291-C295 WeakPolarHBondContact O-CB 3.16Å; I291-C295 PolarHBondContact O-N 3.5Å; I291-C295 PolarHBondContact O-SG 3.3Å; I291-C295 VanDerWaalsContact O-SG 3.4Å; C295-R299 PolarHBondContact O-N 3.24Å
296	S	60.5	Low	57.2	Low	75 Å²	75	120.4 Å²	120.4	52%	0.524	64%	0.639	S	S	.	*	H	α-helix	trans	-68	-45.9	174.1	50.7	0	0	0	0	112	S292 I293 V294 K298 R299	S292-S296 WeakPolarHBondContact O-CB 3.41Å; S292-S296 PolarHBondContact O-N 3.39Å; S292-S296 PolarHBondContact O-OG 3.33Å; I293-S296 WeakPolarHBondContact CA-OG 3.44Å; I293-S296 PolarHBondContact O-OG 3.39Å; I293-S296 VanDerWaalsContact O-OG 3.07Å; V294-S296 PolarHBondContact O-N 2.89Å; S296-K298 VanDerWaalsContact C-N 3.32Å; S296-K298 PolarHBondContact O-N 3.39Å; S296-R299 PolarHBondContact O-N 3.22Å
297	R	56	Low	54.6	Low	208 Å²	208	125.4 Å²	125.4	79%	0.785	65%	0.65	S	S	*	*	H	α-helix	trans	-65.9	-30	177.2	-68	-177.3	77.7	159	4.2	113.5	I293 V294 R299	I293-R297 WeakPolarHBondContact O-CG 3.38Å; I293-R297 PolarHBondContact O-N 3.33Å; V294-R297 PolarHBondContact O-N 3.39Å; R297-R299 VanDerWaalsContact C-N 3.32Å; R297-R299 PolarHBondContact O-N 3.32Å
298	K	50.3	Low	52.3	Low	170 Å²	170	127.2 Å²	127.2	74%	0.739	66%	0.662	S	S	*	*	G	3₁₀ helix	trans	-80.2	-7	179.1	-149.9	173.4	-174.2	-178.8	0	114.2	V294 S296	V294-K298 WeakPolarHBondContact O-CB 3.36Å; V294-K298 PolarHBondContact O-N 3.19Å; S296-K298 VanDerWaalsContact C-N 3.32Å; S296-K298 PolarHBondContact O-N 3.39Å
299	R	43.6	Very low	49.9	Very low	234 Å²	234	127.3 Å²	127.3	88%	0.883	66%	0.663	S	S	*	*	G	3₁₀ helix	trans	-87.5	-2.4	-178.6	-137.2	176.3	-169	177.2	3.6	114.8	C295 S296 R297	C295-R299 PolarHBondContact O-N 3.24Å; S296-R299 PolarHBondContact O-N 3.22Å; R297-R299 VanDerWaalsContact C-N 3.32Å; R297-R299 PolarHBondContact O-N 3.32Å
300	A	46.2	Very low	47.3	Very low	87 Å²	87	130.7 Å²	130.7	72%	0.719	67%	0.674	S	S	*	*	G	3₁₀ helix	trans	-108.9	2.7	-171.9	0	0	0	0	0	115.1
301	Y	43.1	Very low	44.8	Very low	215 Å²	215	134.9 Å²	134.9	84%	0.843	69%	0.689	S	S	*	*			trans	-145.2	66.8	-169.5	-145.2	-88.2	0	0	0	113.8
302	T	35.2	Very low	42.4	Very low	136 Å²	136	137.2 Å²	137.2	83%	0.834	70%	0.697	S	S	*	*			trans	-151.9	110.7	166.5	-45.5	0	0	0	0	111.8
303	K	30.3	Very low	40.1	Very low	177 Å²	177	140 Å²	140	77%	0.77	70%	0.702	S	S	*	*			trans	-149.8	131.9	164.1	-99.5	-164.2	166.3	-153.7	0	107.5
304	E	29.5	Very low	37.7	Very low	174 Å²	174	145.5 Å²	145.5	81%	0.813	72%	0.718	S	S	*	*			trans	61.4	153.1	166.3	-65.6	146	-137.3	0	0	115.6
305	A	29.3	Very low	35.5	Very low	85 Å²	85	146.1 Å²	146.1	70%	0.702	73%	0.726	S	S	*	*			cis	-154.3	142.8	-27.6	0	0	0	0	0	107.4
306	V	27.4	Very low	33.8	Very low	141 Å²	141	148.9 Å²	148.9	86%	0.855	74%	0.741	S	S	*	*				50.4	130.2	99.6	-177.6	0	0	0	0	114.6
307	Y	26.8	Very low	32	Very low	195 Å²	195	149.3 Å²	149.3	77%	0.765	76%	0.757	S	S	*	*			cis	-122	-140.1	11.2	-166.3	-154.6	0	0	0	110.9	D309	Y307-D309 HydrophobicContact CE1-CB 3.98Å
308	S	26.2	Very low	30.6	Very low	93 Å²	93	150.6 Å²	150.6	65%	0.65	76%	0.762	S	S	*	*			cis	-157	140.6	0.4	57	0	0	0	0	109.9
309	D	28.3	Very low	29.4	Very low	94 Å²	94	150.5 Å²	150.5	50%	0.503	76%	0.764	S	S	.	*				58.1	127.3	93.7	-151.3	38.5	0	0	0	114.3	Y307	Y307-D309 HydrophobicContact CE1-CB 3.98Å
310	K	27.1	Very low	28.6	Very low	170 Å²	170	147.4 Å²	147.4	74%	0.739	76%	0.764	S	S	*	*			cis	-127.9	-178.8	18.2	-74.5	-175.8	179.6	-173	0	111.9
311	L	24.2	Very low	27.6	Very low	139 Å²	139	148.1 Å²	148.1	73%	0.728	76%	0.764	S	S	*	*			cis	71.5	137.6	32.1	-94.4	73.6	0	0	0	115.4
312	Q	27.2	Very low	26.9	Very low	148 Å²	148	145.8 Å²	145.8	69%	0.692	77%	0.765	S	S	*	*			cis	-165.3	167.5	-8.7	-146.9	177.5	-0.8	0	0	112.1
313	H	25.9	Very low	26.5	Very low	136 Å²	136	151.5 Å²	151.5	63%	0.63	77%	0.771	S	S	*	*			trans	66.1	117.9	157.1	-78.2	-68.1	0	0	0	125.5
314	Y	23.4	Very low	26.4	Very low	207 Å²	207	147.4 Å²	147.4	81%	0.812	77%	0.771	S	S	*	*				38.9	129.7	125.2	-79.6	-112	0	0	0	122.7
315	S	24.5	Very low	26.2	Very low	106 Å²	106	147.4 Å²	147.4	74%	0.741	78%	0.776	S	S	*	*				-179.2	142.5	105.3	-76.6	0	0	0	0	115.9
316	T	24.2	Very low	26.2	Very low	137 Å²	137	151.8 Å²	151.8	84%	0.84	79%	0.785	S	S	*	*			trans	25.4	106.9	153.4	56.2	0	0	0	0	122.5
317	G	23.5	Very low	26.2	Very low	83 Å²	83	150.6 Å²	150.6	86%	0.856	78%	0.782	S	S	*	*				70.9	129.7	101.4	0	0	0	0	0	122.4
318	R	26	Very low	26.3	Very low	235 Å²	235	148.5 Å²	148.5	89%	0.887	79%	0.785	S	S	*	*			trans	-159.6	156.2	141.9	-137.1	173.7	-176.8	160.4	1.8	112.9
319	E	25.5	Very low	26.3	Very low	168 Å²	168	149.6 Å²	149.6	79%	0.785	79%	0.791	S	S	*	*			trans	-68	162.6	168.1	-55.2	143.6	102.7	0	0	111.6
320	L	26.8	Very low	26.6	Very low	170 Å²	170	150.9 Å²	150.9	89%	0.89	80%	0.804	S	S	*	*				-152.9	155.5	127.5	-135.8	73.6	0	0	0	113.8
321	S	26	Very low	26.9	Very low	102 Å²	102	148 Å²	148	71%	0.713	81%	0.806	S	S	*	*			trans	-64.4	161.2	-170.7	51.2	0	0	0	0	117.6
322	L	26.8	Very low	27.8	Very low	166 Å²	166	146.6 Å²	146.6	87%	0.869	81%	0.805	S	S	*	*			trans	-53.6	142.4	155.9	-58.5	91.7	0	0	0	111.8
323	R	27.2	Very low	28.1	Very low	255 Å²	255	148 Å²	148	96%	0.962	82%	0.816	S	S	*	*				-162.3	163.3	114.6	-111.3	176.1	179.1	174.8	-0.3	111.4
324	A	28.8	Very low	28.2	Very low	92 Å²	92	145.2 Å²	145.2	76%	0.76	83%	0.825	S	S	*	*			trans	-98.5	158.3	174.2	0	0	0	0	0	110.2
325	D	25.6	Very low	28.3	Very low	173 Å²	173	141.4 Å²	141.4	93%	0.925	83%	0.827	S	S	*	*			trans	-143.7	154.5	160.7	-116.6	-41.4	0	0	0	110
326	M	29.3	Very low	28.8	Very low	178 Å²	178	141.7 Å²	141.7	88%	0.877	83%	0.826	S	S	*	*			trans	-145.9	111.4	-167.7	177.8	170.9	63	0	0	112.9
327	S	27.7	Very low	29.2	Very low	115 Å²	115	141.1 Å²	141.1	80%	0.804	82%	0.823	S	S	*	*			trans	178.5	161.9	159.9	59.4	0	0	0	0	107.6
328	N	27.9	Very low	29.6	Very low	152 Å²	152	146.1 Å²	146.1	81%	0.813	82%	0.823	S	S	*	*			cis	-153.5	-166.3	4	-150	-17.8	0	0	0	110.3
329	C	26	Very low	29.8	Very low	116 Å²	116	145 Å²	145	78%	0.784	83%	0.825	S	S	*	*			trans	98.5	150.4	164.3	-63.6	0	0	0	0	117.9
330	P	35.6	Very low	30.1	Very low	120 Å²	120	142.9 Å²	142.9	78%	0.779	83%	0.829	S	S	*	*			trans	-126.5	174.5	-132.2	42.8	-30.4	0	0	0	118.7
331	S	33.6	Very low	30.1	Very low	111 Å²	111	137.7 Å²	137.7	78%	0.776	82%	0.817	S	S	*	*			trans	-54.4	177.9	173.6	-34.6	0	0	0	0	115.7
332	P	43	Very low	30.3	Very low	109 Å²	109	138.4 Å²	138.4	71%	0.708	82%	0.822	S	S	*	*			cis	-146.1	-168.6	17.3	42.3	-20.3	0	0	0	118.8
333	L	32.1	Very low	31.1	Very low	176 Å²	176	137.1 Å²	137.1	92%	0.921	82%	0.823	S	S	*	*			trans	86.7	125.8	165.5	-62.8	150.3	0	0	0	117.5
334	G	28.9	Very low	31.7	Very low	79 Å²	79	127.5 Å²	127.5	81%	0.814	80%	0.803	S	S	*	*			trans	149.4	5.3	163.2	0	0	0	0	0	121.6
335	C	26	Very low	32.4	Very low	126 Å²	126	130.4 Å²	130.4	85%	0.851	80%	0.803	S	S	*	*			trans	-77.8	153.5	176.4	-59.7	0	0	0	0	112.5
336	P	34.5	Very low	34	Very low	113 Å²	113	130 Å²	130	73%	0.734	79%	0.793	S	S	*	*				-119.8	141.6	101.4	-7.5	27	0	0	0	115.6
337	T	32.3	Very low	35.9	Very low	125 Å²	125	126.5 Å²	126.5	77%	0.767	78%	0.777	S	S	*	*			trans	42.3	94.4	146.6	57.7	0	0	0	0	120.1
338	H	31.9	Very low	38.4	Very low	187 Å²	187	122.7 Å²	122.7	87%	0.866	75%	0.745	S	S	*	*			trans	-109.7	147.9	134.2	-103.5	-107	0	0	0	109.1
339	F	29.9	Very low	40.7	Very low	213 Å²	213	118.8 Å²	118.8	93%	0.934	72%	0.723	S	S	*	*			trans	-64.3	132.5	176.7	-90	-106.6	0	0	0	111.2
340	S	32.8	Very low	43	Very low	123 Å²	123	116.1 Å²	116.1	86%	0.86	70%	0.701	S	S	*	*			trans	-90.9	129.4	170	53	0	0	0	0	110.7
341	G	26.1	Very low	44.5	Very low	61 Å²	61	110.5 Å²	110.5	63%	0.629	67%	0.665	S	S	*	*			trans	-168.5	86.5	-177.6	0	0	0	0	0	113.3
342	S	31.5	Very low	46.1	Very low	117 Å²	117	110.3 Å²	110.3	82%	0.818	65%	0.65	S	S	*	*	S	Bend	trans	62.2	170.7	174.6	-65.3	0	0	0	0	115.3	G344	S342-G344 PolarHBondContact O-N 2.84Å
343	P	42.5	Very low	47.2	Very low	139 Å²	139	110 Å²	110	90%	0.903	65%	0.646	S	S	*	*	S	Bend	trans	-70.3	72.8	159.9	30.5	-35.3	0	0	0	109
344	G	39.3	Very low	48.4	Very low	52 Å²	52	103.5 Å²	103.5	54%	0.536	61%	0.61	S	S	.	*	P	Polyproline II helix	trans	-66.2	146.9	-171.8	0	0	0	0	0	113.4	S342 K346	S342-G344 PolarHBondContact O-N 2.84Å; G344-K346 PolarHBondContact O-N 3.36Å
345	M	44.3	Very low	49.8	Very low	154 Å²	154	109.3 Å²	109.3	76%	0.759	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-55.8	125.4	167	-158.6	85.8	77.7	0	0	108.5	I347	M345-I347 PolarHBondContact O-N 2.91Å
346	K	58.3	Low	51.8	Low	165 Å²	165	105.8 Å²	105.8	72%	0.717	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-67.2	121.8	164.7	-75.2	-169.4	174	-170.6	0	107.5	G344 M492	G344-K346 PolarHBondContact O-N 3.36Å; K346-M492 HydrophobicContact CB-CE 4.03Å; K346-M492 HydrophobicContact CB-SD 3.99Å; K346-M492 VanDerWaalsContact O-SD 3.38Å
347	I	70	Confident	53.4	Low	104 Å²	104	101.2 Å²	101.2	53%	0.533	56%	0.559	S	S	.	*			trans	-106.9	139.8	174.9	-60	173	0	0	0	106.5	M345 I349	M345-I347 PolarHBondContact O-N 2.91Å; I347-I349 PolarHBondContact O-N 2.96Å
348	Y	79.3	Confident	55.3	Low	34 Å²	34	97.1 Å²	97.1	13%	0.133	53%	0.532	C	S	.	.	P	Polyproline II helix	trans	-59.5	127.6	171.7	166.5	-99.8	0	0	0	110.5	D350 P351 I425 F429 M492 Y494	Y348-D350 HydrophobicContact CE1-CB 3.84Å; Y348-P351 VanDerWaalsContact OH-CD 3.26Å; Y348-P351 WeakPolarHBondContact OH-CD 3.46Å; Y348-I425 HydrophobicContact CE2-CB 4.46Å; Y348-I425 HydrophobicContact CE2-CG1 4.11Å; Y348-I425 HydrophobicContact CE2-CG2 4.08Å; Y348-F429 HydrophobicContact CD2-CE1 4.11Å; Y348-F429 AromaticContact CD2-CZ 3.92Å; Y348-F429 HydrophobicContact CD2-CZ 3.92Å; Y348-F429 HydrophobicContact CE2-CZ 4.38Å; Y348-M492 VanDerWaalsContact CB-O 3.3Å; Y348-M492 WeakPolarHBondContact CB-O 3.48Å; Y348-M492 PolarHBondContact N-O 3.06Å; Y348-Y494 AromaticContact CD1-CD2 3.89Å; Y348-Y494 HydrophobicContact CD1-CD2 3.89Å; Y348-Y494 AromaticContact CD2-CD2 3.71Å; Y348-Y494 HydrophobicContact CD2-CD2 3.71Å; Y348-Y494 HydrophobicContact CD2-CE2 4.33Å; Y348-Y494 AromaticContact CE1-CD2 3.79Å; Y348-Y494 HydrophobicContact CE1-CD2 3.79Å; Y348-Y494 HydrophobicContact CE1-CE2 4.17Å; Y348-Y494 AromaticContact CE2-CD2 3.6Å; Y348-Y494 HydrophobicContact CE2-CD2 3.6Å; Y348-Y494 AromaticContact CE2-CE2 3.77Å; Y348-Y494 HydrophobicContact CE2-CE2 3.77Å; Y348-Y494 AromaticContact CG-CD2 3.84Å; Y348-Y494 HydrophobicContact CG-CD2 3.84Å; Y348-Y494 AromaticContact CZ-CD2 3.63Å; Y348-Y494 AromaticContact CZ-CE2 3.66Å
349	I	77.6	Confident	57.6	Low	70 Å²	70	92.7 Å²	92.7	36%	0.359	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-99.7	122.7	171.5	-57.1	176.8	0	0	0	106.7	I347 P351 Y354 F364 Q428	I347-I349 PolarHBondContact O-N 2.96Å; I349-P351 VanDerWaalsContact O-CD 3.29Å; I349-P351 WeakPolarHBondContact O-CD 3.44Å; I349-Y354 HydrophobicContact CG2-CE2 3.84Å; I349-F364 HydrophobicContact CB-CZ 4.11Å; I349-F364 HydrophobicContact CD1-CZ 4.14Å; I349-F364 HydrophobicContact CG2-CZ 4.47Å; I349-Q428 PolarHBondContact O-NE2 2.83Å; I349-Q428 PolarHBondContact O-OE1 2.88Å
350	D	74.1	Confident	59.8	Low	60 Å²	60	82.6 Å²	82.6	32%	0.321	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-69.5	120.8	179.1	-164.7	-44.5	0	0	0	110.1	Y348 F352 T353	Y348-D350 HydrophobicContact CE1-CB 3.84Å; D350-F352 PolarHBondContact O-N 3.26Å; D350-F352 WeakPolarHBondContact OD1-CB 3.18Å; D350-F352 WeakPolarHBondContact OD1-CD2 3.08Å; D350-F352 PolarHBondContact OD1-N 2.73Å; D350-T353 HydrophobicContact CB-CG2 4.45Å; D350-T353 PolarHBondContact O-N 2.77Å; D350-T353 PolarHBondContact O-OG1 3.44Å
351	P	67.7	Low	62.3	Low	3 Å²	3	77 Å²	77	2%	0.019	43%	0.428	C	S	.	.	G	3₁₀ helix	trans	-58.1	-16.5	179.3	-28.3	38.9	0	0	0	114.6	Y348 I349 T353 Y354 A360 I425	Y348-P351 VanDerWaalsContact OH-CD 3.26Å; Y348-P351 WeakPolarHBondContact OH-CD 3.46Å; I349-P351 VanDerWaalsContact O-CD 3.29Å; I349-P351 WeakPolarHBondContact O-CD 3.44Å; P351-T353 PolarHBondContact O-N 3.12Å; P351-Y354 PolarHBondContact O-N 3.1Å; P351-A360 HydrophobicContact CB-CB 3.93Å; P351-I425 HydrophobicContact CG-CG1 3.89Å
352	F	66.4	Low	65.1	Low	106 Å²	106	81.6 Å²	81.6	47%	0.465	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	-74.8	-1.5	171.4	-64.1	-67.1	0	0	0	114.3	D350 R521	D350-F352 PolarHBondContact O-N 3.26Å; D350-F352 WeakPolarHBondContact OD1-CB 3.18Å; D350-F352 WeakPolarHBondContact OD1-CD2 3.08Å; D350-F352 PolarHBondContact OD1-N 2.73Å; F352-R521 HydrophobicContact CZ-CG 4.37Å
353	T	65.9	Low	67.6	Low	103 Å²	103	80.7 Å²	80.7	63%	0.632	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-78.2	-7.1	165.9	64.2	0	0	0	0	113.5	D350 P351	D350-T353 HydrophobicContact CB-CG2 4.45Å; D350-T353 PolarHBondContact O-N 2.77Å; D350-T353 PolarHBondContact O-OG1 3.44Å; P351-T353 PolarHBondContact O-N 3.12Å
354	Y	56.4	Low	69.7	Low	39 Å²	39	75.8 Å²	75.8	15%	0.153	37%	0.374	C	S	.	.	S	Bend	trans	-103	133.8	178.6	-60.9	-105.9	0	0	0	110	I349 P351 D356 E359 A360 E363 F364	I349-Y354 HydrophobicContact CG2-CE2 3.84Å; P351-Y354 PolarHBondContact O-N 3.1Å; Y354-D356 VanDerWaalsContact C-N 3.34Å; Y354-E359 HydrophobicContact CD1-CB 3.99Å; Y354-E359 HydrophobicContact CD1-CG 3.88Å; Y354-E359 HydrophobicContact CE1-CG 4.3Å; Y354-A360 HydrophobicContact CD1-CB 4.41Å; Y354-A360 HydrophobicContact CD2-CB 3.85Å; Y354-A360 HydrophobicContact CE2-CB 4.2Å; Y354-A360 HydrophobicContact CG-CB 3.97Å; Y354-E363 WeakPolarHBondContact CE1-OE2 3.09Å; Y354-E363 VanDerWaalsContact OH-CD 3.31Å; Y354-E363 PolarHBondContact OH-OE2 3.31Å; Y354-F364 HydrophobicContact CE2-CE2 4.01Å; Y354-F364 HydrophobicContact CE2-CZ 4.41Å; Y354-F364 VanDerWaalsContact OH-CZ 3.26Å; Y354-F364 WeakPolarHBondContact OH-CZ 3.48Å
355	E	59.7	Low	72.2	Confident	201 Å²	201	73.9 Å²	73.9	94%	0.939	35%	0.353	S	S	*	.	S	Bend	trans	-71.2	-31.6	177.5	-60.8	-172.1	167.1	0	0	112.1
356	D	67.1	Low	74.5	Confident	53 Å²	53	71.8 Å²	71.8	28%	0.283	34%	0.34	S	S	.	.	S	Bend	trans	-109.5	108.7	173.6	172.5	26.2	0	0	0	110.4	Y354 N358 E359 R362	Y354-D356 VanDerWaalsContact C-N 3.34Å; D356-N358 PolarHBondContact O-N 3.2Å; D356-N358 VanDerWaalsContact O-N 3.12Å; D356-N358 VanDerWaalsContact OD1-CB 3.24Å; D356-N358 WeakPolarHBondContact OD1-CB 3.22Å; D356-N358 PolarHBondContact OD1-N 3.49Å; D356-N358 PolarHBondContact OD1-ND2 3.33Å; D356-N358 WeakPolarHBondContact OD2-CB 3.37Å; D356-E359 HydrophobicContact CB-CB 4.3Å; D356-E359 WeakPolarHBondContact O-CA 3.07Å; D356-E359 WeakPolarHBondContact O-CB 3.32Å; D356-E359 PolarHBondContact O-N 3.09Å; D356-E359 PolarHBondContact OD2-N 3.33Å; D356-R362 IonicContact OD2-CZ 3.07Å; D356-R362 IonicContact OD2-NH1 3.23Å; D356-R362 PolarHBondContact OD2-NH1 2.88Å; D356-R362 VanDerWaalsContact OD2-NH1 3.12Å; D356-R362 IonicContact OD2-NH2 3.4Å; D356-R362 PolarHBondContact OD2-NH2 2.87Å
357	P	67.8	Low	76.3	Confident	16 Å²	16	66.3 Å²	66.3	10%	0.104	32%	0.317	C	S	.	.	H	α-helix	trans	-63.7	-15.7	174.4	-31.3	41.3	0	0	0	114.8	E359 V361 R417	P357-E359 PolarHBondContact O-N 2.95Å; P357-V361 VanDerWaalsContact O-CG2 3.28Å; P357-V361 WeakPolarHBondContact O-CG2 3.48Å; P357-V361 PolarHBondContact O-N 3.48Å; P357-R417 HydrophobicContact CB-CB 4.47Å; P357-R417 HydrophobicContact CB-CG 4.27Å; P357-R417 HydrophobicContact CG-CB 4.04Å; P357-R417 HydrophobicContact CG-CG 3.72Å
358	N	73.8	Confident	77.5	Confident	40 Å²	40	61.5 Å²	61.5	21%	0.214	29%	0.292	C	S	.	.	H	α-helix	trans	-67	-21.2	167.3	-53	-85.9	0	0	0	111.5	D356 R362 R416	D356-N358 PolarHBondContact O-N 3.2Å; D356-N358 VanDerWaalsContact O-N 3.12Å; D356-N358 VanDerWaalsContact OD1-CB 3.24Å; D356-N358 WeakPolarHBondContact OD1-CB 3.22Å; D356-N358 PolarHBondContact OD1-N 3.49Å; D356-N358 PolarHBondContact OD1-ND2 3.33Å; D356-N358 WeakPolarHBondContact OD2-CB 3.37Å; N358-R362 WeakPolarHBondContact O-CB 3.22Å; N358-R362 WeakPolarHBondContact O-CG 3.37Å; N358-R362 PolarHBondContact O-N 3.48Å; N358-R362 PolarHBondContact O-NE 3.33Å; N358-R362 PolarHBondContact O-NH1 3.14Å; N358-R416 PolarHBondContact ND2-NH1 3.39Å; N358-R416 VanDerWaalsContact OD1-CZ 3.23Å; N358-R416 PolarHBondContact OD1-NH1 3.23Å; N358-R416 PolarHBondContact OD1-NH2 3.11Å
359	E	79.1	Confident	78.2	Confident	94 Å²	94	64.5 Å²	64.5	44%	0.439	31%	0.31	S	S	.	.	H	α-helix	trans	-72.7	-51.6	174.5	-162.7	164.7	-141.5	0	0	111.7	Y354 D356 P357 V361 R362 E363	Y354-E359 HydrophobicContact CD1-CB 3.99Å; Y354-E359 HydrophobicContact CD1-CG 3.88Å; Y354-E359 HydrophobicContact CE1-CG 4.3Å; D356-E359 HydrophobicContact CB-CB 4.3Å; D356-E359 WeakPolarHBondContact O-CA 3.07Å; D356-E359 WeakPolarHBondContact O-CB 3.32Å; D356-E359 PolarHBondContact O-N 3.09Å; D356-E359 PolarHBondContact OD2-N 3.33Å; P357-E359 PolarHBondContact O-N 2.95Å; E359-V361 PolarHBondContact O-N 2.92Å; E359-R362 VanDerWaalsContact CA-NH2 3.28Å; E359-R362 VanDerWaalsContact CB-NH2 3.29Å; E359-R362 CarbonylContact O-C 3.57Å; E359-R362 WeakPolarHBondContact O-CA 3.4Å; E359-R362 WeakPolarHBondContact O-CB 3.34Å; E359-R362 PolarHBondContact O-N 2.84Å; E359-E363 PolarHBondContact O-N 3.29Å
360	A	77.4	Confident	79	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-57.6	-35.7	172	0	0	0	0	0	112	P351 Y354 F364	P351-A360 HydrophobicContact CB-CB 3.93Å; Y354-A360 HydrophobicContact CD1-CB 4.41Å; Y354-A360 HydrophobicContact CD2-CB 3.85Å; Y354-A360 HydrophobicContact CE2-CB 4.2Å; Y354-A360 HydrophobicContact CG-CB 3.97Å; A360-F364 HydrophobicContact CB-CD2 4.33Å; A360-F364 HydrophobicContact CB-CE2 4.39Å; A360-F364 WeakPolarHBondContact O-CB 3.37Å; A360-F364 WeakPolarHBondContact O-CD2 3.49Å; A360-F364 PolarHBondContact O-N 2.99Å
361	V	84.1	Confident	79.9	Confident	6 Å²	6	66.4 Å²	66.4	4%	0.036	33%	0.331	C	S	.	.	H	α-helix	trans	-65.4	-45.1	170.8	167.8	0	0	0	0	111.6	P357 E359 E363 A365 L420 S424 V440 T442	P357-V361 VanDerWaalsContact O-CG2 3.28Å; P357-V361 WeakPolarHBondContact O-CG2 3.48Å; P357-V361 PolarHBondContact O-N 3.48Å; E359-V361 PolarHBondContact O-N 2.92Å; V361-E363 VanDerWaalsContact C-N 3.26Å; V361-E363 PolarHBondContact O-N 2.83Å; V361-A365 HydrophobicContact CG1-CB 4.19Å; V361-A365 CarbonylContact O-C 3.57Å; V361-A365 WeakPolarHBondContact O-CA 3.2Å; V361-A365 WeakPolarHBondContact O-CB 3.44Å; V361-A365 PolarHBondContact O-N 3.17Å; V361-L420 HydrophobicContact CG2-CB 3.83Å; V361-L420 HydrophobicContact CG2-CD1 4.49Å; V361-L420 HydrophobicContact CG2-CD2 4.23Å; V361-L420 HydrophobicContact CG2-CG 4.4Å; V361-S424 VanDerWaalsContact CG2-OG 3.28Å; V361-S424 WeakPolarHBondContact CG2-OG 3.46Å; V361-S424 PolarHBondContact N-OG 2.9Å; V361-V440 HydrophobicContact CG1-CG2 3.79Å; V361-T442 HydrophobicContact CG1-CG2 4.25Å
362	R	84.7	Confident	81.2	Confident	157 Å²	157	67.4 Å²	67.4	59%	0.592	34%	0.338	S	S	*	.	H	α-helix	trans	-62.6	-31.1	177.9	-78	176.7	-55.1	-103.7	8.1	112.7	D356 N358 E359	D356-R362 IonicContact OD2-CZ 3.07Å; D356-R362 IonicContact OD2-NH1 3.23Å; D356-R362 PolarHBondContact OD2-NH1 2.88Å; D356-R362 VanDerWaalsContact OD2-NH1 3.12Å; D356-R362 IonicContact OD2-NH2 3.4Å; D356-R362 PolarHBondContact OD2-NH2 2.87Å; N358-R362 WeakPolarHBondContact O-CB 3.22Å; N358-R362 WeakPolarHBondContact O-CG 3.37Å; N358-R362 PolarHBondContact O-N 3.48Å; N358-R362 PolarHBondContact O-NE 3.33Å; N358-R362 PolarHBondContact O-NH1 3.14Å; E359-R362 VanDerWaalsContact CA-NH2 3.28Å; E359-R362 VanDerWaalsContact CB-NH2 3.29Å; E359-R362 CarbonylContact O-C 3.57Å; E359-R362 WeakPolarHBondContact O-CA 3.4Å; E359-R362 WeakPolarHBondContact O-CB 3.34Å; E359-R362 PolarHBondContact O-N 2.84Å
363	E	84.9	Confident	82.7	Confident	99 Å²	99	63.3 Å²	63.3	46%	0.463	32%	0.321	S	S	.	.	H	α-helix	trans	-81.8	-47	179.3	-166	177.8	156.3	0	0	112.7	Y354 E359 V361	Y354-E363 WeakPolarHBondContact CE1-OE2 3.09Å; Y354-E363 VanDerWaalsContact OH-CD 3.31Å; Y354-E363 PolarHBondContact OH-OE2 3.31Å; E359-E363 PolarHBondContact O-N 3.29Å; V361-E363 VanDerWaalsContact C-N 3.26Å; V361-E363 PolarHBondContact O-N 2.83Å
364	F	86.8	Confident	84.1	Confident	36 Å²	36	63.9 Å²	63.9	16%	0.158	32%	0.315	C	S	.	.	H	α-helix	trans	-102.5	-20.4	-170.1	-52.9	-50.3	0	0	0	114.8	I349 Y354 A360 G427 Q428	I349-F364 HydrophobicContact CB-CZ 4.11Å; I349-F364 HydrophobicContact CD1-CZ 4.14Å; I349-F364 HydrophobicContact CG2-CZ 4.47Å; Y354-F364 HydrophobicContact CE2-CE2 4.01Å; Y354-F364 HydrophobicContact CE2-CZ 4.41Å; Y354-F364 VanDerWaalsContact OH-CZ 3.26Å; Y354-F364 WeakPolarHBondContact OH-CZ 3.48Å; A360-F364 HydrophobicContact CB-CD2 4.33Å; A360-F364 HydrophobicContact CB-CE2 4.39Å; A360-F364 WeakPolarHBondContact O-CB 3.37Å; A360-F364 WeakPolarHBondContact O-CD2 3.49Å; A360-F364 PolarHBondContact O-N 2.99Å; F364-G427 CarbonylContact O-C 3.54Å; F364-G427 WeakPolarHBondContact O-CA 3.41Å; F364-Q428 HydrophobicContact CB-CG 4.03Å; F364-Q428 HydrophobicContact CD1-CG 3.61Å; F364-Q428 HydrophobicContact CD2-CG 3.94Å; F364-Q428 HydrophobicContact CE1-CG 4.04Å; F364-Q428 HydrophobicContact CE2-CG 4.34Å; F364-Q428 HydrophobicContact CG-CG 3.56Å; F364-Q428 HydrophobicContact CZ-CG 4.39Å
365	A	91.6	Very high	85.9	Confident	11 Å²	11	65.3 Å²	65.3	9%	0.091	33%	0.325	C	S	.	.	S	Bend	trans	-117.4	139.9	-175.7	0	0	0	0	0	112.7	V361 L437 V440	V361-A365 HydrophobicContact CG1-CB 4.19Å; V361-A365 CarbonylContact O-C 3.57Å; V361-A365 WeakPolarHBondContact O-CA 3.2Å; V361-A365 WeakPolarHBondContact O-CB 3.44Å; V361-A365 PolarHBondContact O-N 3.17Å; A365-L437 HydrophobicContact CB-CD2 3.73Å; A365-V440 HydrophobicContact CB-CG1 4.1Å; A365-V440 HydrophobicContact CB-CG2 4.08Å
366	K	92.9	Very high	87.5	Confident	110 Å²	110	58.9 Å²	58.9	48%	0.478	30%	0.295	S	S	.	.			trans	-83	122.6	176.9	-175.4	-167.9	169.8	-167.3	0	110.7	I368 G439 V440	K366-I368 PolarHBondContact O-N 3.4Å; K366-G439 CarbonylContact O-C 3.58Å; K366-G439 WeakPolarHBondContact O-CA 3.41Å; K366-V440 PolarHBondContact O-N 3.24Å
367	E	94.6	Very high	88.7	Confident	50 Å²	50	61.1 Å²	61.1	23%	0.234	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-66.8	131	166.3	-173.9	72.2	-175.7	0	0	110.8	V440 T442 K443	E367-V440 CarbonylContact C-O 3.51Å; E367-V440 WeakPolarHBondContact CA-O 3.45Å; E367-T442 VanDerWaalsContact CD-OG1 3.3Å; E367-T442 PolarHBondContact OE1-N 3.02Å; E367-T442 PolarHBondContact OE1-OG1 2.6Å; E367-T442 WeakPolarHBondContact OE2-CB 3.47Å; E367-T442 PolarHBondContact OE2-N 3Å; E367-T442 VanDerWaalsContact OE2-N 3.14Å; E367-T442 PolarHBondContact OE2-OG1 3.41Å; E367-K443 HydrophobicContact CG-CD 3.94Å; E367-K443 HydrophobicContact CG-CG 4.44Å; E367-K443 WeakPolarHBondContact OE1-CB 3.42Å; E367-K443 WeakPolarHBondContact OE1-CG 3.38Å; E367-K443 PolarHBondContact OE1-N 3.39Å
368	I	95.1	Very high	89.8	Confident	4 Å²	4	64.3 Å²	64.3	2%	0.021	32%	0.322	C	S	.	.			trans	-107.8	137.2	178.1	-67.4	175.2	0	0	0	109	K366 V370 T372 V373 L392 E438 V440 V441 V450	K366-I368 PolarHBondContact O-N 3.4Å; I368-V370 PolarHBondContact O-N 2.97Å; I368-T372 WeakPolarHBondContact CG2-OG1 3.47Å; I368-V373 HydrophobicContact CG2-CG2 3.55Å; I368-L392 HydrophobicContact CD1-CD1 4.22Å; I368-L392 HydrophobicContact CD1-CD2 4.13Å; I368-L392 HydrophobicContact CG2-CD1 3.84Å; I368-E438 HydrophobicContact CD1-CB 4.25Å; I368-V440 PolarHBondContact N-O 3.16Å; I368-V441 HydrophobicContact CB-CG2 4.06Å; I368-V441 HydrophobicContact CG2-CG2 4.31Å; I368-V450 HydrophobicContact CD1-CB 4.05Å; I368-V450 HydrophobicContact CD1-CG1 4.42Å; I368-V450 HydrophobicContact CD1-CG2 4.2Å
369	D	94.1	Very high	90.5	Very high	97 Å²	97	66.1 Å²	66.1	52%	0.519	33%	0.331	S	S	.	.			trans	-72.9	125.9	171.2	-171.7	-64.6	0	0	0	110.2	S371 T372	D369-S371 PolarHBondContact O-N 3.19Å; D369-S371 VanDerWaalsContact O-N 3.14Å; D369-S371 VanDerWaalsContact OD1-CB 3.26Å; D369-S371 WeakPolarHBondContact OD1-CB 3.37Å; D369-S371 PolarHBondContact OD1-N 2.96Å; D369-S371 PolarHBondContact OD1-OG 3.06Å; D369-T372 HydrophobicContact CB-CG2 4.32Å; D369-T372 WeakPolarHBondContact O-CB 3.2Å; D369-T372 PolarHBondContact O-N 3.12Å; D369-T372 PolarHBondContact O-OG1 2.68Å
370	V	94.6	Very high	90.7	Very high	66 Å²	66	63.1 Å²	63.1	40%	0.4	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-57.4	-29	-176.1	67.2	0	0	0	0	113.3	I368 T372 V373 V441 M448	I368-V370 PolarHBondContact O-N 2.97Å; V370-T372 PolarHBondContact O-N 3.28Å; V370-V373 PolarHBondContact O-N 2.98Å; V370-V373 VanDerWaalsContact O-N 3.09Å; V370-V441 HydrophobicContact CB-CG1 4.19Å; V370-M448 HydrophobicContact CG2-CE 3.87Å
371	S	93.6	Very high	90.7	Very high	103 Å²	103	67.3 Å²	67.3	72%	0.72	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-67.4	-16.2	176.1	69.5	0	0	0	0	113.8	D369	D369-S371 PolarHBondContact O-N 3.19Å; D369-S371 VanDerWaalsContact O-N 3.14Å; D369-S371 VanDerWaalsContact OD1-CB 3.26Å; D369-S371 WeakPolarHBondContact OD1-CB 3.37Å; D369-S371 PolarHBondContact OD1-N 2.96Å; D369-S371 PolarHBondContact OD1-OG 3.06Å
372	T	95.4	Very high	90	Very high	24 Å²	24	68.4 Å²	68.4	15%	0.147	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-89.7	-5	174.9	69.6	0	0	0	0	113.5	I368 D369 V370 L392 K393	I368-T372 WeakPolarHBondContact CG2-OG1 3.47Å; D369-T372 HydrophobicContact CB-CG2 4.32Å; D369-T372 WeakPolarHBondContact O-CB 3.2Å; D369-T372 PolarHBondContact O-N 3.12Å; D369-T372 PolarHBondContact O-OG1 2.68Å; V370-T372 PolarHBondContact O-N 3.28Å; T372-L392 WeakPolarHBondContact O-CA 3.23Å; T372-K393 WeakPolarHBondContact CB-O 3.42Å; T372-K393 PolarHBondContact O-N 2.97Å
373	V	96.2	Very high	89.4	Confident	21 Å²	21	66 Å²	66	13%	0.127	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	131.3	-178.3	-177	0	0	0	0	109.9	I368 V370 L392 I404 V441	I368-V373 HydrophobicContact CG2-CG2 3.55Å; V370-V373 PolarHBondContact O-N 2.98Å; V370-V373 VanDerWaalsContact O-N 3.09Å; V373-L392 HydrophobicContact CG2-CD1 4Å; V373-I404 HydrophobicContact CG1-CD1 3.56Å; V373-I404 HydrophobicContact CG1-CG1 4.45Å; V373-V441 HydrophobicContact CG2-CG2 4.37Å
374	K	95.9	Very high	88.9	Confident	114 Å²	114	61.7 Å²	61.7	50%	0.496	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	113.4	171.5	-172.7	-170	176.8	-154.5	0	109.8	E376 G390 R391	K374-E376 HydrophobicContact CD-CG 4.29Å; K374-E376 WeakPolarHBondContact CD-OE1 3.47Å; K374-E376 VanDerWaalsContact CE-OE1 3.27Å; K374-E376 WeakPolarHBondContact CE-OE1 3.49Å; K374-E376 HydrophobicContact CG-CG 4.28Å; K374-E376 IonicContact NZ-OE1 2.64Å; K374-E376 PolarHBondContact NZ-OE1 2.93Å; K374-G390 CarbonylContact O-C 3.53Å; K374-G390 WeakPolarHBondContact O-CA 3.37Å; K374-R391 HydrophobicContact CB-CB 4.38Å; K374-R391 PolarHBondContact N-O 3.34Å; K374-R391 PolarHBondContact O-N 2.64Å
375	I	94.2	Very high	88.6	Confident	70 Å²	70	60 Å²	60	36%	0.359	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	139.5	169.9	-61.3	174.6	0	0	0	108.7	Y388 I404 M448	I375-Y388 HydrophobicContact CG2-CD1 3.53Å; I375-Y388 HydrophobicContact CG2-CD2 4.12Å; I375-Y388 HydrophobicContact CG2-CE1 4.14Å; I375-Y388 HydrophobicContact CG2-CG 3.53Å; I375-I404 HydrophobicContact CG1-CD1 3.89Å; I375-I404 HydrophobicContact CG1-CG2 4.48Å; I375-M448 HydrophobicContact CD1-SD 4.12Å
376	E	92.8	Very high	88.5	Confident	65 Å²	65	63.6 Å²	63.6	30%	0.304	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	-69.7	-178	-57.1	-159.8	131.5	0	0	113.7	K374 K389 R391	K374-E376 HydrophobicContact CD-CG 4.29Å; K374-E376 WeakPolarHBondContact CD-OE1 3.47Å; K374-E376 VanDerWaalsContact CE-OE1 3.27Å; K374-E376 WeakPolarHBondContact CE-OE1 3.49Å; K374-E376 HydrophobicContact CG-CG 4.28Å; K374-E376 IonicContact NZ-OE1 2.64Å; K374-E376 PolarHBondContact NZ-OE1 2.93Å; E376-K389 PolarHBondContact N-O 3.04Å; E376-R391 IonicContact OE1-CZ 3.69Å; E376-R391 IonicContact OE1-NE 3.67Å; E376-R391 IonicContact OE1-NH1 3.91Å; E376-R391 PolarHBondContact OE1-NH1 3.44Å; E376-R391 IonicContact OE2-CZ 2.68Å; E376-R391 IonicContact OE2-NE 3.42Å; E376-R391 IonicContact OE2-NH1 3.89Å; E376-R391 PolarHBondContact OE2-NH1 2.93Å
377	E	92.9	Very high	88.4	Confident	101 Å²	101	60 Å²	60	47%	0.472	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	143.6	-176	63.1	-171.7	156.1	0	0	112.3	I379 Y388 K389	E377-I379 HydrophobicContact CG-CG2 4.38Å; E377-I379 PolarHBondContact O-N 2.93Å; E377-Y388 CarbonylContact O-C 3.6Å; E377-Y388 WeakPolarHBondContact O-CA 3.38Å; E377-K389 HydrophobicContact CG-CB 4.04Å; E377-K389 HydrophobicContact CG-CD 3.95Å; E377-K389 PolarHBondContact N-O 3.26Å; E377-K389 PolarHBondContact O-N 2.81Å; E377-K389 WeakPolarHBondContact OE1-CD 3.37Å; E377-K389 WeakPolarHBondContact OE1-CE 3.2Å; E377-K389 IonicContact OE1-NZ 3.65Å; E377-K389 PolarHBondContact OE1-NZ 2.8Å
378	V	91.8	Very high	88.4	Confident	82 Å²	82	59.7 Å²	59.7	50%	0.497	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	126.1	174.2	179.5	0	0	0	0	108.8	Y388	V378-Y388 HydrophobicContact CB-CD1 4.4Å; V378-Y388 HydrophobicContact CG2-CD1 3.63Å; V378-Y388 HydrophobicContact CG2-CE1 3.48Å; V378-Y388 VanDerWaalsContact CG2-CE1 3.48Å
379	I	88.4	Confident	88.4	Confident	79 Å²	79	61.7 Å²	61.7	41%	0.405	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	-9.3	177.5	60.7	175.1	0	0	0	113.2	E377 V387 K389 A403 F453	E377-I379 HydrophobicContact CG-CG2 4.38Å; E377-I379 PolarHBondContact O-N 2.93Å; I379-V387 HydrophobicContact CD1-CG1 4.01Å; I379-V387 HydrophobicContact CG1-CB 4.15Å; I379-V387 HydrophobicContact CG1-CG1 3.95Å; I379-V387 VanDerWaalsContact CG1-O 3.27Å; I379-V387 WeakPolarHBondContact CG1-O 3.5Å; I379-V387 PolarHBondContact N-O 3.07Å; I379-K389 HydrophobicContact CD1-CB 4.33Å; I379-K389 HydrophobicContact CG2-CB 3.67Å; I379-A403 HydrophobicContact CD1-CB 4.46Å; I379-F453 HydrophobicContact CD1-CD2 4.31Å; I379-F453 HydrophobicContact CD1-CE2 3.78Å
380	G	82.3	Confident	88.6	Confident	30 Å²	30	57.1 Å²	57.1	31%	0.309	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	176	-178	174.7	0	0	0	0	0	113.2	V387	G380-V387 PolarHBondContact N-O 2.95Å; G380-V387 PolarHBondContact O-N 3.09Å
381	A	78.8	Confident	88.7	Confident	88 Å²	88	57.3 Å²	57.3	73%	0.727	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136	137.2	173.2	0	0	0	0	0	109.9
382	G	68.8	Low	88.9	Confident	29 Å²	29	52.4 Å²	52.4	30%	0.299	28%	0.283	S	S	.	.			trans	-121.7	-176.2	177.1	0	0	0	0	0	113.1	F384 G385 K408	G382-F384 VanDerWaalsContact C-N 3.3Å; G382-F384 PolarHBondContact O-N 2.95Å; G382-G385 PolarHBondContact N-O 2.94Å; G382-G385 PolarHBondContact O-N 3.03Å; G382-K408 PolarHBondContact O-NZ 2.85Å
383	E	72.4	Confident	88.9	Confident	107 Å²	107	57.2 Å²	57.2	50%	0.5	30%	0.302	S	S	.	.	S	Bend	trans	-45.6	-53.3	177.6	-177.5	-178.6	166.2	0	0	111.6	K408 R521	E383-K408 PolarHBondContact O-NZ 3.47Å; E383-R521 VanDerWaalsContact CD-NH2 3.32Å; E383-R521 IonicContact OE1-CZ 3.4Å; E383-R521 IonicContact OE1-NH1 2.87Å; E383-R521 PolarHBondContact OE1-NH1 2.77Å; E383-R521 IonicContact OE1-NH2 3.8Å; E383-R521 PolarHBondContact OE1-NH2 2.97Å; E383-R521 VanDerWaalsContact OE1-NH2 3.09Å; E383-R521 IonicContact OE2-CZ 3.24Å; E383-R521 IonicContact OE2-NH1 2.65Å; E383-R521 IonicContact OE2-NH2 2.69Å; E383-R521 PolarHBondContact OE2-NH2 3.47Å
384	F	73.9	Confident	88.6	Confident	8 Å²	8	57.1 Å²	57.1	4%	0.035	30%	0.3	C	S	.	.	S	Bend	trans	-86.9	-21.7	-171.5	-56.7	-69.8	0	0	0	115.5	G382 L407 K408 Q415 D418 F419	G382-F384 VanDerWaalsContact C-N 3.3Å; G382-F384 PolarHBondContact O-N 2.95Å; F384-L407 HydrophobicContact CB-CD1 3.87Å; F384-L407 HydrophobicContact CD1-CD1 4.24Å; F384-L407 HydrophobicContact CG-CD1 4.45Å; F384-K408 WeakPolarHBondContact O-CD 3.3Å; F384-K408 VanDerWaalsContact O-CG 3.23Å; F384-K408 WeakPolarHBondContact O-CG 3.43Å; F384-K408 PolarHBondContact O-N 2.84Å; F384-Q415 HydrophobicContact CD1-CB 4.49Å; F384-D418 HydrophobicContact CE1-CB 3.8Å; F384-D418 HydrophobicContact CZ-CB 3.79Å; F384-F419 HydrophobicContact CB-CB 4.41Å; F384-F419 HydrophobicContact CB-CD2 3.43Å; F384-F419 VanDerWaalsContact CB-CD2 3.43Å; F384-F419 HydrophobicContact CB-CE2 3.99Å; F384-F419 HydrophobicContact CB-CG 4.26Å; F384-F419 HydrophobicContact CD1-CB 3.9Å; F384-F419 HydrophobicContact CD1-CD2 4.41Å; F384-F419 HydrophobicContact CD2-CB 4.31Å; F384-F419 AromaticContact CD2-CD2 3.79Å; F384-F419 HydrophobicContact CD2-CD2 3.79Å; F384-F419 HydrophobicContact CE1-CB 4.26Å; F384-F419 HydrophobicContact CG-CB 3.94Å; F384-F419 AromaticContact CG-CD2 3.62Å; F384-F419 HydrophobicContact CG-CD2 3.62Å; F384-F419 HydrophobicContact CG-CG 4.24Å
385	G	81.3	Confident	88.2	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.01	31%	0.312	C	S	.	.	S	Bend	trans	169.4	-176.4	-170.5	0	0	0	0	0	115	G382 T406	G382-G385 PolarHBondContact N-O 2.94Å; G382-G385 PolarHBondContact O-N 3.03Å; G385-T406 VanDerWaalsContact CA-O 3.27Å; G385-T406 WeakPolarHBondContact CA-O 3.46Å
386	E	87.8	Confident	87.9	Confident	87 Å²	87	58.3 Å²	58.3	41%	0.407	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	150.3	175	-65.3	-172.2	149.8	0	0	110.1	Y388 T406	E386-Y388 HydrophobicContact CB-CE1 4.31Å; E386-Y388 HydrophobicContact CB-CE2 3.75Å; E386-Y388 VanDerWaalsContact OE2-CZ 3.25Å; E386-Y388 PolarHBondContact OE2-OH 3.35Å; E386-T406 PolarHBondContact O-N 2.97Å; E386-T406 PolarHBondContact O-OG1 3.32Å
387	V	91.7	Very high	87.9	Confident	33 Å²	33	62 Å²	62	20%	0.2	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	121.8	171.8	-165.2	0	0	0	0	107	I379 G380 I404 K405	I379-V387 HydrophobicContact CD1-CG1 4.01Å; I379-V387 HydrophobicContact CG1-CB 4.15Å; I379-V387 HydrophobicContact CG1-CG1 3.95Å; I379-V387 VanDerWaalsContact CG1-O 3.27Å; I379-V387 WeakPolarHBondContact CG1-O 3.5Å; I379-V387 PolarHBondContact N-O 3.07Å; G380-V387 PolarHBondContact N-O 2.95Å; G380-V387 PolarHBondContact O-N 3.09Å; V387-I404 WeakPolarHBondContact CA-O 3.36Å; V387-K405 HydrophobicContact CG2-CG 4.31Å
388	Y	94.4	Very high	87.9	Confident	45 Å²	45	67.4 Å²	67.4	18%	0.176	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	151.7	176.4	-48.3	-96	0	0	0	110.3	I375 E377 V378 E386 A403 I404 T406	I375-Y388 HydrophobicContact CG2-CD1 3.53Å; I375-Y388 HydrophobicContact CG2-CD2 4.12Å; I375-Y388 HydrophobicContact CG2-CE1 4.14Å; I375-Y388 HydrophobicContact CG2-CG 3.53Å; E377-Y388 CarbonylContact O-C 3.6Å; E377-Y388 WeakPolarHBondContact O-CA 3.38Å; V378-Y388 HydrophobicContact CB-CD1 4.4Å; V378-Y388 HydrophobicContact CG2-CD1 3.63Å; V378-Y388 HydrophobicContact CG2-CE1 3.48Å; V378-Y388 VanDerWaalsContact CG2-CE1 3.48Å; E386-Y388 HydrophobicContact CB-CE1 4.31Å; E386-Y388 HydrophobicContact CB-CE2 3.75Å; E386-Y388 VanDerWaalsContact OE2-CZ 3.25Å; E386-Y388 PolarHBondContact OE2-OH 3.35Å; Y388-A403 CarbonylContact O-C 3.57Å; Y388-A403 WeakPolarHBondContact O-CA 3.34Å; Y388-I404 PolarHBondContact N-O 2.95Å; Y388-I404 PolarHBondContact O-N 3.02Å; Y388-T406 HydrophobicContact CD2-CG2 3.86Å; Y388-T406 HydrophobicContact CE2-CG2 3.46Å; Y388-T406 VanDerWaalsContact CE2-CG2 3.46Å
389	K	96.2	Very high	88	Confident	46 Å²	46	68.1 Å²	68.1	20%	0.2	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	142.3	154.6	174.8	-169.8	175.5	-172.9	0	108.2	E376 E377 I379 F453	E376-K389 PolarHBondContact N-O 3.04Å; E377-K389 HydrophobicContact CG-CB 4.04Å; E377-K389 HydrophobicContact CG-CD 3.95Å; E377-K389 PolarHBondContact N-O 3.26Å; E377-K389 PolarHBondContact O-N 2.81Å; E377-K389 WeakPolarHBondContact OE1-CD 3.37Å; E377-K389 WeakPolarHBondContact OE1-CE 3.2Å; E377-K389 IonicContact OE1-NZ 3.65Å; E377-K389 PolarHBondContact OE1-NZ 2.8Å; I379-K389 HydrophobicContact CD1-CB 4.33Å; I379-K389 HydrophobicContact CG2-CB 3.67Å; K389-F453 HydrophobicContact CB-CD2 4.34Å; K389-F453 HydrophobicContact CB-CE2 3.91Å; K389-F453 HydrophobicContact CB-CZ 4.27Å; K389-F453 HydrophobicContact CD-CE1 3.89Å; K389-F453 HydrophobicContact CD-CE2 4.09Å; K389-F453 HydrophobicContact CD-CZ 3.62Å; K389-F453 HydrophobicContact CG-CD1 4.4Å; K389-F453 HydrophobicContact CG-CD2 4.11Å; K389-F453 HydrophobicContact CG-CE1 4.12Å; K389-F453 HydrophobicContact CG-CE2 3.83Å; K389-F453 HydrophobicContact CG-CG 4.42Å; K389-F453 HydrophobicContact CG-CZ 3.84Å
390	G	96.9	Very high	88.4	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	-171.5	177.7	0	0	0	0	0	113.1	K374 Y401 V402	K374-G390 CarbonylContact O-C 3.53Å; K374-G390 WeakPolarHBondContact O-CA 3.37Å; G390-Y401 WeakPolarHBondContact O-CA 3.39Å; G390-V402 PolarHBondContact N-O 3.2Å; G390-V402 PolarHBondContact O-N 3.09Å
391	R	96.9	Very high	89	Confident	70 Å²	70	70.9 Å²	70.9	26%	0.264	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	138.1	176.3	-70.1	171.2	167.3	133.3	-4.3	110.1	K374 E376 E399 I400 Y401	K374-R391 HydrophobicContact CB-CB 4.38Å; K374-R391 PolarHBondContact N-O 3.34Å; K374-R391 PolarHBondContact O-N 2.64Å; E376-R391 IonicContact OE1-CZ 3.69Å; E376-R391 IonicContact OE1-NE 3.67Å; E376-R391 IonicContact OE1-NH1 3.91Å; E376-R391 PolarHBondContact OE1-NH1 3.44Å; E376-R391 IonicContact OE2-CZ 2.68Å; E376-R391 IonicContact OE2-NE 3.42Å; E376-R391 IonicContact OE2-NH1 3.89Å; E376-R391 PolarHBondContact OE2-NH1 2.93Å; R391-E399 HydrophobicContact CB-CG 4.02Å; R391-E399 WeakPolarHBondContact CD-OE2 3.47Å; R391-E399 HydrophobicContact CG-CG 4.45Å; R391-E399 IonicContact NE-OE2 2.69Å; R391-I400 CarbonylContact C-O 3.55Å; R391-I400 VanDerWaalsContact CA-O 3.3Å; R391-I400 WeakPolarHBondContact CA-O 3.08Å; R391-Y401 HydrophobicContact CG-CD1 3.9Å; R391-Y401 HydrophobicContact CG-CE1 3.92Å; R391-Y401 PolarHBondContact NH2-OH 2.9Å
392	L	97.4	Very high	89.9	Confident	1 Å²	1	66.7 Å²	66.7	1%	0.005	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	127.4	175.2	175.4	65.3	0	0	0	109.5	I368 T372 V373 L394 E399 I400 V402 E438 V450	I368-L392 HydrophobicContact CD1-CD1 4.22Å; I368-L392 HydrophobicContact CD1-CD2 4.13Å; I368-L392 HydrophobicContact CG2-CD1 3.84Å; T372-L392 WeakPolarHBondContact O-CA 3.23Å; V373-L392 HydrophobicContact CG2-CD1 4Å; L392-L394 HydrophobicContact CD1-CD2 4.01Å; L392-L394 HydrophobicContact CD1-CG 4.17Å; L392-L394 HydrophobicContact CD2-CD1 4.31Å; L392-L394 HydrophobicContact CD2-CG 4.17Å; L392-L394 HydrophobicContact CG-CD2 4.43Å; L392-L394 HydrophobicContact CG-CG 4.06Å; L392-E399 WeakPolarHBondContact O-CA 3.37Å; L392-I400 HydrophobicContact CB-CG1 4.15Å; L392-I400 HydrophobicContact CD2-CD1 4.47Å; L392-I400 PolarHBondContact N-O 3.34Å; L392-I400 PolarHBondContact O-N 2.74Å; L392-V402 HydrophobicContact CB-CB 4.46Å; L392-V402 HydrophobicContact CB-CG1 3.6Å; L392-V402 HydrophobicContact CB-CG2 3.97Å; L392-V402 HydrophobicContact CD2-CG1 4.1Å; L392-E438 HydrophobicContact CD2-CB 3.67Å; L392-E438 HydrophobicContact CD2-CG 3.88Å; L392-V450 HydrophobicContact CD2-CG1 4.34Å
393	K	95.9	Very high	91.3	Very high	125 Å²	125	66 Å²	66	54%	0.543	33%	0.327	S	S	.	.			trans	-127.1	75.1	-177.5	-168.7	-179.7	-178.5	173.3	0	111.4	T372 E399	T372-K393 WeakPolarHBondContact CB-O 3.42Å; T372-K393 PolarHBondContact O-N 2.97Å; K393-E399 HydrophobicContact CB-CB 4.38Å; K393-E399 HydrophobicContact CB-CG 4.25Å; K393-E399 HydrophobicContact CG-CB 4.28Å
394	L	89.9	Confident	92.4	Very high	18 Å²	18	60.9 Å²	60.9	9%	0.094	30%	0.303	C	S	.	.			trans	-64.7	144.9	176.4	-66	176.5	0	0	0	111.6	L392 G396 K397	L392-L394 HydrophobicContact CD1-CD2 4.01Å; L392-L394 HydrophobicContact CD1-CG 4.17Å; L392-L394 HydrophobicContact CD2-CD1 4.31Å; L392-L394 HydrophobicContact CD2-CG 4.17Å; L392-L394 HydrophobicContact CG-CD2 4.43Å; L392-L394 HydrophobicContact CG-CG 4.06Å; L394-G396 PolarHBondContact O-N 2.03Å; L394-K397 HydrophobicContact CB-CB 4.33Å; L394-K397 HydrophobicContact CB-CD 4.36Å; L394-K397 HydrophobicContact CD1-CD 4.31Å; L394-K397 PolarHBondContact O-N 3.47Å
395	P	88.3	Confident	93.4	Very high	115 Å²	115	62.2 Å²	62.2	75%	0.747	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	133.8	176	-28.2	35.4	0	0	0	112.9	K397	P395-K397 PolarHBondContact O-N 3.16Å
396	G	88	Confident	93.9	Very high	94 Å²	94	62.6 Å²	62.6	97%	0.969	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.5	-0.3	-179.5	0	0	0	0	0	115.9	L394	L394-G396 PolarHBondContact O-N 2.03Å
397	K	91.5	Very high	93.8	Very high	144 Å²	144	58.8 Å²	58.8	63%	0.626	29%	0.294	S	S	*	.	S	Bend	trans	-109.1	159.3	176.2	-66.7	-167.5	176.3	-172.8	0	111.9	L394 P395	L394-K397 HydrophobicContact CB-CB 4.33Å; L394-K397 HydrophobicContact CB-CD 4.36Å; L394-K397 HydrophobicContact CD1-CD 4.31Å; L394-K397 PolarHBondContact O-N 3.47Å; P395-K397 PolarHBondContact O-N 3.16Å
398	R	93	Very high	93.4	Very high	213 Å²	213	62.2 Å²	62.2	80%	0.804	31%	0.306	S	S	*	.			trans	-64.8	150	165.5	70	-179	-177.8	-172.4	0.9	110	I400	R398-I400 HydrophobicContact CG-CG2 4.15Å
399	E	95.1	Very high	92.6	Very high	98 Å²	98	63.9 Å²	63.9	46%	0.458	33%	0.329	S	S	.	.			trans	-65.2	141.4	168.7	-170.8	171.8	-85.7	0	0	110.1	R391 L392 K393	R391-E399 HydrophobicContact CB-CG 4.02Å; R391-E399 WeakPolarHBondContact CD-OE2 3.47Å; R391-E399 HydrophobicContact CG-CG 4.45Å; R391-E399 IonicContact NE-OE2 2.69Å; L392-E399 WeakPolarHBondContact O-CA 3.37Å; K393-E399 HydrophobicContact CB-CB 4.38Å; K393-E399 HydrophobicContact CB-CG 4.25Å; K393-E399 HydrophobicContact CG-CB 4.28Å
400	I	95.1	Very high	91.7	Very high	51 Å²	51	64.9 Å²	64.9	26%	0.262	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	153.1	-179.1	57.6	173	0	0	0	110.8	R391 L392 R398 V402 E438	R391-I400 CarbonylContact C-O 3.55Å; R391-I400 VanDerWaalsContact CA-O 3.3Å; R391-I400 WeakPolarHBondContact CA-O 3.08Å; L392-I400 HydrophobicContact CB-CG1 4.15Å; L392-I400 HydrophobicContact CD2-CD1 4.47Å; L392-I400 PolarHBondContact N-O 3.34Å; L392-I400 PolarHBondContact O-N 2.74Å; R398-I400 HydrophobicContact CG-CG2 4.15Å; I400-V402 HydrophobicContact CD1-CG1 4.37Å; I400-V402 HydrophobicContact CG1-CG1 4.29Å; I400-E438 WeakPolarHBondContact CD1-OE1 3.36Å
401	Y	96.6	Very high	90.8	Very high	115 Å²	115	67.1 Å²	67.1	45%	0.451	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	139.6	169.6	-67.2	-71.7	0	0	0	110.9	G390 R391 F453	G390-Y401 WeakPolarHBondContact O-CA 3.39Å; R391-Y401 HydrophobicContact CG-CD1 3.9Å; R391-Y401 HydrophobicContact CG-CE1 3.92Å; R391-Y401 PolarHBondContact NH2-OH 2.9Å; Y401-F453 PolarHBondContact O-N 2.87Å
402	V	97.6	Very high	90	Very high	0 Å²	0	68 Å²	68	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	152.4	-179.3	-70.8	0	0	0	0	110.9	G390 L392 I400 I404 E438 V450 T451	G390-V402 PolarHBondContact N-O 3.2Å; G390-V402 PolarHBondContact O-N 3.09Å; L392-V402 HydrophobicContact CB-CB 4.46Å; L392-V402 HydrophobicContact CB-CG1 3.6Å; L392-V402 HydrophobicContact CB-CG2 3.97Å; L392-V402 HydrophobicContact CD2-CG1 4.1Å; I400-V402 HydrophobicContact CD1-CG1 4.37Å; I400-V402 HydrophobicContact CG1-CG1 4.29Å; V402-I404 HydrophobicContact CG2-CD1 4.08Å; V402-I404 HydrophobicContact CG2-CG1 3.87Å; V402-E438 HydrophobicContact CG1-CG 3.96Å; V402-V450 HydrophobicContact CB-CG1 3.65Å; V402-V450 HydrophobicContact CG1-CG1 3.78Å; V402-V450 HydrophobicContact CG2-CG1 3.84Å; V402-T451 CarbonylContact C-O 3.58Å; V402-T451 VanDerWaalsContact CA-O 3.27Å; V402-T451 WeakPolarHBondContact CA-O 3.46Å; V402-T451 VanDerWaalsContact CB-O 3.27Å; V402-T451 WeakPolarHBondContact CB-O 3.31Å
403	A	96.9	Very high	89.1	Confident	14 Å²	14	72.3 Å²	72.3	12%	0.116	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	137.7	160.3	0	0	0	0	0	108.8	I379 Y388 V450 T451 F453	I379-A403 HydrophobicContact CD1-CB 4.46Å; Y388-A403 CarbonylContact O-C 3.57Å; Y388-A403 WeakPolarHBondContact O-CA 3.34Å; A403-V450 WeakPolarHBondContact O-CA 3.48Å; A403-T451 PolarHBondContact N-O 3.25Å; A403-T451 PolarHBondContact O-N 2.89Å; A403-F453 HydrophobicContact CB-CD2 4.43Å
404	I	96.2	Very high	88.3	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	102.3	-175.3	-56.4	171.8	0	0	0	107	V373 I375 V387 Y388 V402 T406 M448	V373-I404 HydrophobicContact CG1-CD1 3.56Å; V373-I404 HydrophobicContact CG1-CG1 4.45Å; I375-I404 HydrophobicContact CG1-CD1 3.89Å; I375-I404 HydrophobicContact CG1-CG2 4.48Å; V387-I404 WeakPolarHBondContact CA-O 3.36Å; Y388-I404 PolarHBondContact N-O 2.95Å; Y388-I404 PolarHBondContact O-N 3.02Å; V402-I404 HydrophobicContact CG2-CD1 4.08Å; V402-I404 HydrophobicContact CG2-CG1 3.87Å; I404-T406 HydrophobicContact CG2-CG2 4.27Å; I404-M448 HydrophobicContact CG2-CB 4.14Å; I404-M448 HydrophobicContact CG2-CG 4.21Å; I404-M448 HydrophobicContact CG2-SD 3.57Å; I404-M448 VanDerWaalsContact CG2-SD 3.57Å
405	K	94.2	Very high	87.9	Confident	37 Å²	37	74 Å²	74	16%	0.161	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	126.4	171.7	-155.9	-176.6	-164.5	176.4	0	107.4	V387 F419 E422 M448 I449	V387-K405 HydrophobicContact CG2-CG 4.31Å; K405-F419 HydrophobicContact CB-CE2 4.35Å; K405-F419 HydrophobicContact CD-CE2 4.03Å; K405-F419 HydrophobicContact CG-CE2 4Å; K405-E422 IonicContact NZ-OE1 3.3Å; K405-E422 PolarHBondContact NZ-OE1 3.24Å; K405-E422 IonicContact NZ-OE2 2.77Å; K405-E422 PolarHBondContact NZ-OE2 2.96Å; K405-M448 CarbonylContact O-C 3.58Å; K405-M448 WeakPolarHBondContact O-CA 3.26Å; K405-I449 HydrophobicContact CB-CB 4.29Å; K405-I449 PolarHBondContact N-O 2.8Å; K405-I449 PolarHBondContact O-N 2.89Å
406	T	92.3	Very high	87.7	Confident	9 Å²	9	69.8 Å²	69.8	6%	0.055	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	162.9	175.9	65	0	0	0	0	112.2	G385 E386 Y388 I404 P446 V447 M448	G385-T406 VanDerWaalsContact CA-O 3.27Å; G385-T406 WeakPolarHBondContact CA-O 3.46Å; E386-T406 PolarHBondContact O-N 2.97Å; E386-T406 PolarHBondContact O-OG1 3.32Å; Y388-T406 HydrophobicContact CD2-CG2 3.86Å; Y388-T406 HydrophobicContact CE2-CG2 3.46Å; Y388-T406 VanDerWaalsContact CE2-CG2 3.46Å; I404-T406 HydrophobicContact CG2-CG2 4.27Å; T406-P446 HydrophobicContact CG2-CB 4.4Å; T406-P446 HydrophobicContact CG2-CG 4.12Å; T406-V447 WeakPolarHBondContact CA-O 3.41Å; T406-M448 HydrophobicContact CG2-CG 4.16Å; T406-M448 HydrophobicContact CG2-SD 4.47Å
407	L	86.8	Confident	87.4	Confident	7 Å²	7	70.5 Å²	70.5	4%	0.037	35%	0.345	C	S	.	.			trans	-104.7	125.4	170.6	-174.5	61.2	0	0	0	110.3	F384 Y411 R416 F419 V447	F384-L407 HydrophobicContact CB-CD1 3.87Å; F384-L407 HydrophobicContact CD1-CD1 4.24Å; F384-L407 HydrophobicContact CG-CD1 4.45Å; L407-Y411 HydrophobicContact CB-CD1 4.49Å; L407-Y411 HydrophobicContact CD1-CG 4.5Å; L407-Y411 HydrophobicContact CD2-CD1 3.39Å; L407-Y411 HydrophobicContact CD2-CD2 4.17Å; L407-Y411 HydrophobicContact CD2-CE1 3.7Å; L407-Y411 HydrophobicContact CD2-CE2 4.47Å; L407-Y411 HydrophobicContact CD2-CG 3.65Å; L407-Y411 HydrophobicContact CG-CD1 3.52Å; L407-Y411 HydrophobicContact CG-CE1 4.21Å; L407-Y411 HydrophobicContact CG-CG 3.9Å; L407-R416 HydrophobicContact CD2-CB 4.09Å; L407-R416 HydrophobicContact CD2-CG 4.02Å; L407-F419 HydrophobicContact CB-CD1 3.96Å; L407-F419 HydrophobicContact CB-CE1 3.8Å; L407-F419 HydrophobicContact CB-CE2 4.39Å; L407-F419 HydrophobicContact CB-CG 4.33Å; L407-F419 HydrophobicContact CB-CZ 4.01Å; L407-F419 HydrophobicContact CD1-CB 3.99Å; L407-F419 HydrophobicContact CD1-CD1 4.34Å; L407-F419 HydrophobicContact CD1-CD2 4.3Å; L407-F419 HydrophobicContact CD1-CG 3.99Å; L407-F419 HydrophobicContact CD2-CD1 4.04Å; L407-F419 HydrophobicContact CD2-CG 4.43Å; L407-F419 HydrophobicContact CG-CD1 4.34Å; L407-F419 HydrophobicContact CG-CG 4.48Å; L407-V447 HydrophobicContact CB-CB 4.15Å; L407-V447 HydrophobicContact CD2-CB 4.32Å; L407-V447 PolarHBondContact N-O 3.09Å
408	K	81.7	Confident	86.9	Confident	105 Å²	105	64.6 Å²	64.6	46%	0.457	32%	0.32	S	S	.	.			trans	-52.4	136.5	-179.1	-77	153.7	-174	163.1	0	112.4	G382 E383 F384 G410 Y411	G382-K408 PolarHBondContact O-NZ 2.85Å; E383-K408 PolarHBondContact O-NZ 3.47Å; F384-K408 WeakPolarHBondContact O-CD 3.3Å; F384-K408 VanDerWaalsContact O-CG 3.23Å; F384-K408 WeakPolarHBondContact O-CG 3.43Å; F384-K408 PolarHBondContact O-N 2.84Å; K408-G410 PolarHBondContact O-N 2.68Å; K408-Y411 WeakPolarHBondContact O-CD1 3.47Å; K408-Y411 PolarHBondContact O-N 2.76Å
409	A	78.5	Confident	86.6	Confident	79 Å²	79	54.5 Å²	54.5	65%	0.653	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	133	173.2	0	0	0	0	0	111.3	H173	H173-A409 PolarHBondContact ND1-O 2.57Å
410	G	76.1	Confident	86.2	Confident	68 Å²	68	49.8 Å²	49.8	70%	0.701	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.4	17.8	-173.7	0	0	0	0	0	114.7	K408	K408-G410 PolarHBondContact O-N 2.68Å
411	Y	78.3	Confident	85.7	Confident	47 Å²	47	47.6 Å²	47.6	18%	0.184	25%	0.249	C	C	.	.			trans	-54.1	151.6	170.7	63.2	-107	0	0	0	112.3	L407 K408 E413 R416 V447	L407-Y411 HydrophobicContact CB-CD1 4.49Å; L407-Y411 HydrophobicContact CD1-CG 4.5Å; L407-Y411 HydrophobicContact CD2-CD1 3.39Å; L407-Y411 HydrophobicContact CD2-CD2 4.17Å; L407-Y411 HydrophobicContact CD2-CE1 3.7Å; L407-Y411 HydrophobicContact CD2-CE2 4.47Å; L407-Y411 HydrophobicContact CD2-CG 3.65Å; L407-Y411 HydrophobicContact CG-CD1 3.52Å; L407-Y411 HydrophobicContact CG-CE1 4.21Å; L407-Y411 HydrophobicContact CG-CG 3.9Å; K408-Y411 WeakPolarHBondContact O-CD1 3.47Å; K408-Y411 PolarHBondContact O-N 2.76Å; Y411-E413 WeakPolarHBondContact CE2-OE1 3.41Å; Y411-R416 HydrophobicContact CD2-CB 3.77Å; Y411-R416 HydrophobicContact CD2-CG 4.41Å; Y411-R416 HydrophobicContact CE2-CB 3.76Å; Y411-R416 HydrophobicContact CE2-CG 3.96Å; Y411-V447 HydrophobicContact CE1-CG2 4.34Å
412	V	81.2	Confident	85.2	Confident	87 Å²	87	42.7 Å²	42.7	53%	0.527	23%	0.23	S	C	.	.			trans	-90.9	156.4	164.4	-61.3	0	0	0	0	111	K414 Q415 R416	V412-K414 HydrophobicContact CG2-CB 4.31Å; V412-K414 PolarHBondContact O-N 2.84Å; V412-K414 VanDerWaalsContact O-N 3.11Å; V412-Q415 HydrophobicContact CG2-CB 4.35Å; V412-Q415 HydrophobicContact CG2-CG 3.86Å; V412-Q415 WeakPolarHBondContact O-CA 3.29Å; V412-Q415 WeakPolarHBondContact O-CB 3.31Å; V412-Q415 PolarHBondContact O-N 3.16Å; V412-R416 PolarHBondContact O-N 2.98Å
413	E	78.2	Confident	84.8	Confident	93 Å²	93	42.7 Å²	42.7	44%	0.435	23%	0.23	S	C	.	.	H	α-helix	trans	-60.5	-24.8	-177.1	-77.3	-59.8	125.7	0	0	114.3	Y411 R416 R417	Y411-E413 WeakPolarHBondContact CE2-OE1 3.41Å; E413-R416 PolarHBondContact O-N 3.36Å; E413-R416 VanDerWaalsContact OE1-CD 3.25Å; E413-R416 WeakPolarHBondContact OE1-CD 3.37Å; E413-R416 WeakPolarHBondContact OE2-CD 3.37Å; E413-R417 WeakPolarHBondContact O-CB 3.42Å; E413-R417 WeakPolarHBondContact O-CG 3.23Å; E413-R417 PolarHBondContact O-N 3.34Å
414	K	79.6	Confident	84.4	Confident	89 Å²	89	42 Å²	42	39%	0.387	23%	0.225	S	C	.	.	H	α-helix	trans	-60.1	-49.4	168.2	-172	-178.1	-176.9	179.7	0	110.9	V412 R416 R417 D418	V412-K414 HydrophobicContact CG2-CB 4.31Å; V412-K414 PolarHBondContact O-N 2.84Å; V412-K414 VanDerWaalsContact O-N 3.11Å; K414-R416 VanDerWaalsContact C-N 3.31Å; K414-R416 PolarHBondContact O-N 3.49Å; K414-R417 PolarHBondContact O-N 3.31Å; K414-D418 WeakPolarHBondContact O-CB 3.32Å; K414-D418 VanDerWaalsContact O-CG 3.29Å; K414-D418 PolarHBondContact O-N 2.91Å
415	Q	80.9	Confident	84	Confident	88 Å²	88	42.1 Å²	42.1	41%	0.411	23%	0.225	S	C	.	.	H	α-helix	trans	-64.2	-35.5	178.1	-66.6	168.5	-38.6	0	0	112.1	F384 V412 F419	F384-Q415 HydrophobicContact CD1-CB 4.49Å; V412-Q415 HydrophobicContact CG2-CB 4.35Å; V412-Q415 HydrophobicContact CG2-CG 3.86Å; V412-Q415 WeakPolarHBondContact O-CA 3.29Å; V412-Q415 WeakPolarHBondContact O-CB 3.31Å; V412-Q415 PolarHBondContact O-N 3.16Å; Q415-F419 WeakPolarHBondContact O-CB 3.36Å; Q415-F419 PolarHBondContact O-N 3.45Å
416	R	85	Confident	83.8	Confident	28 Å²	28	40.7 Å²	40.7	11%	0.106	22%	0.219	C	C	.	.	H	α-helix	trans	-64.6	-45	174.2	-169.5	-177.5	178.1	-85.1	-6.3	111.9	N358 L407 Y411 V412 E413 K414 L420	N358-R416 PolarHBondContact ND2-NH1 3.39Å; N358-R416 VanDerWaalsContact OD1-CZ 3.23Å; N358-R416 PolarHBondContact OD1-NH1 3.23Å; N358-R416 PolarHBondContact OD1-NH2 3.11Å; L407-R416 HydrophobicContact CD2-CB 4.09Å; L407-R416 HydrophobicContact CD2-CG 4.02Å; Y411-R416 HydrophobicContact CD2-CB 3.77Å; Y411-R416 HydrophobicContact CD2-CG 4.41Å; Y411-R416 HydrophobicContact CE2-CB 3.76Å; Y411-R416 HydrophobicContact CE2-CG 3.96Å; V412-R416 PolarHBondContact O-N 2.98Å; E413-R416 PolarHBondContact O-N 3.36Å; E413-R416 VanDerWaalsContact OE1-CD 3.25Å; E413-R416 WeakPolarHBondContact OE1-CD 3.37Å; E413-R416 WeakPolarHBondContact OE2-CD 3.37Å; K414-R416 VanDerWaalsContact C-N 3.31Å; K414-R416 PolarHBondContact O-N 3.49Å; R416-L420 HydrophobicContact CG-CD1 4.1Å; R416-L420 WeakPolarHBondContact O-CB 3.38Å; R416-L420 VanDerWaalsContact O-CG 3.31Å; R416-L420 WeakPolarHBondContact O-CG 3.47Å; R416-L420 PolarHBondContact O-N 3.07Å
417	R	81.1	Confident	83.8	Confident	108 Å²	108	41.6 Å²	41.6	41%	0.408	23%	0.23	S	C	.	.	H	α-helix	trans	-64.7	-48.3	176.5	-72.5	-170.6	-59.7	-99.5	9	111.7	P357 E413 K414 F419 L420 S421	P357-R417 HydrophobicContact CB-CB 4.47Å; P357-R417 HydrophobicContact CB-CG 4.27Å; P357-R417 HydrophobicContact CG-CB 4.04Å; P357-R417 HydrophobicContact CG-CG 3.72Å; E413-R417 WeakPolarHBondContact O-CB 3.42Å; E413-R417 WeakPolarHBondContact O-CG 3.23Å; E413-R417 PolarHBondContact O-N 3.34Å; K414-R417 PolarHBondContact O-N 3.31Å; R417-F419 PolarHBondContact O-N 2.94Å; R417-L420 PolarHBondContact O-N 2.69Å; R417-S421 WeakPolarHBondContact O-CB 3.39Å; R417-S421 PolarHBondContact O-N 3.44Å
418	D	80.2	Confident	83.9	Confident	21 Å²	21	42.2 Å²	42.2	11%	0.112	23%	0.233	C	C	.	.	H	α-helix	trans	-59.1	-47.8	178.4	-71.1	15.7	0	0	0	110.9	F384 K414 S421 E422 R521	F384-D418 HydrophobicContact CE1-CB 3.8Å; F384-D418 HydrophobicContact CZ-CB 3.79Å; K414-D418 WeakPolarHBondContact O-CB 3.32Å; K414-D418 VanDerWaalsContact O-CG 3.29Å; K414-D418 PolarHBondContact O-N 2.91Å; D418-S421 PolarHBondContact O-N 3.21Å; D418-S421 PolarHBondContact O-OG 2.88Å; D418-E422 PolarHBondContact O-N 3.19Å; D418-R521 IonicContact OD2-CZ 4Å; D418-R521 IonicContact OD2-NH1 3.97Å; D418-R521 PolarHBondContact OD2-NH1 3.26Å
419	F	86.8	Confident	84.4	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-58.2	-51	175	179.1	-106.6	0	0	0	112.3	F384 K405 L407 Q415 R417 S421 E422 V447 I449	F384-F419 HydrophobicContact CB-CB 4.41Å; F384-F419 HydrophobicContact CB-CD2 3.43Å; F384-F419 VanDerWaalsContact CB-CD2 3.43Å; F384-F419 HydrophobicContact CB-CE2 3.99Å; F384-F419 HydrophobicContact CB-CG 4.26Å; F384-F419 HydrophobicContact CD1-CB 3.9Å; F384-F419 HydrophobicContact CD1-CD2 4.41Å; F384-F419 HydrophobicContact CD2-CB 4.31Å; F384-F419 AromaticContact CD2-CD2 3.79Å; F384-F419 HydrophobicContact CD2-CD2 3.79Å; F384-F419 HydrophobicContact CE1-CB 4.26Å; F384-F419 HydrophobicContact CG-CB 3.94Å; F384-F419 AromaticContact CG-CD2 3.62Å; F384-F419 HydrophobicContact CG-CD2 3.62Å; F384-F419 HydrophobicContact CG-CG 4.24Å; K405-F419 HydrophobicContact CB-CE2 4.35Å; K405-F419 HydrophobicContact CD-CE2 4.03Å; K405-F419 HydrophobicContact CG-CE2 4Å; L407-F419 HydrophobicContact CB-CD1 3.96Å; L407-F419 HydrophobicContact CB-CE1 3.8Å; L407-F419 HydrophobicContact CB-CE2 4.39Å; L407-F419 HydrophobicContact CB-CG 4.33Å; L407-F419 HydrophobicContact CB-CZ 4.01Å; L407-F419 HydrophobicContact CD1-CB 3.99Å; L407-F419 HydrophobicContact CD1-CD1 4.34Å; L407-F419 HydrophobicContact CD1-CD2 4.3Å; L407-F419 HydrophobicContact CD1-CG 3.99Å; L407-F419 HydrophobicContact CD2-CD1 4.04Å; L407-F419 HydrophobicContact CD2-CG 4.43Å; L407-F419 HydrophobicContact CG-CD1 4.34Å; L407-F419 HydrophobicContact CG-CG 4.48Å; Q415-F419 WeakPolarHBondContact O-CB 3.36Å; Q415-F419 PolarHBondContact O-N 3.45Å; R417-F419 PolarHBondContact O-N 2.94Å; F419-S421 VanDerWaalsContact C-N 3.31Å; F419-S421 PolarHBondContact O-N 2.68Å; F419-E422 VanDerWaalsContact O-CB 3.29Å; F419-E422 WeakPolarHBondContact O-CB 3.47Å; F419-E422 PolarHBondContact O-N 3.46Å; F419-V447 HydrophobicContact CD1-CG1 4.39Å; F419-V447 HydrophobicContact CE1-CB 4.42Å; F419-V447 HydrophobicContact CE1-CG1 3.99Å; F419-I449 HydrophobicContact CD1-CD1 4.02Å; F419-I449 HydrophobicContact CD1-CG1 4.31Å; F419-I449 HydrophobicContact CD2-CD1 3.89Å; F419-I449 HydrophobicContact CE1-CD1 3.81Å; F419-I449 HydrophobicContact CE1-CG1 3.68Å; F419-I449 HydrophobicContact CE2-CD1 3.71Å; F419-I449 HydrophobicContact CE2-CG1 4.17Å; F419-I449 HydrophobicContact CG-CD1 4.07Å; F419-I449 HydrophobicContact CZ-CB 4.38Å; F419-I449 HydrophobicContact CZ-CD1 3.67Å; F419-I449 HydrophobicContact CZ-CG1 3.63Å; F419-I449 VanDerWaalsContact O-CD1 3.28Å; F419-I449 WeakPolarHBondContact O-CD1 3.31Å
420	L	87.3	Confident	85.1	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-67.7	-29.6	-179.1	-72.9	179.2	0	0	0	113.1	V361 R416 R417 E422 A423 S424 T442 V447	V361-L420 HydrophobicContact CG2-CB 3.83Å; V361-L420 HydrophobicContact CG2-CD1 4.49Å; V361-L420 HydrophobicContact CG2-CD2 4.23Å; V361-L420 HydrophobicContact CG2-CG 4.4Å; R416-L420 HydrophobicContact CG-CD1 4.1Å; R416-L420 WeakPolarHBondContact O-CB 3.38Å; R416-L420 VanDerWaalsContact O-CG 3.31Å; R416-L420 WeakPolarHBondContact O-CG 3.47Å; R416-L420 PolarHBondContact O-N 3.07Å; R417-L420 PolarHBondContact O-N 2.69Å; L420-E422 VanDerWaalsContact C-N 3.25Å; L420-E422 PolarHBondContact O-N 2.9Å; L420-A423 PolarHBondContact O-N 3.06Å; L420-A423 VanDerWaalsContact O-N 3.12Å; L420-S424 PolarHBondContact O-N 3.31Å; L420-S424 PolarHBondContact O-OG 3.02Å; L420-T442 HydrophobicContact CD2-CG2 3.91Å; L420-V447 HydrophobicContact CD2-CG1 4.04Å
421	S	83.4	Confident	86.1	Confident	5 Å²	5	38.9 Å²	38.9	4%	0.035	19%	0.191	C	C	.	.	H	α-helix	trans	-61	-34.6	175.7	76.7	0	0	0	0	112.3	R417 D418 F419 A423 S424 I425	R417-S421 WeakPolarHBondContact O-CB 3.39Å; R417-S421 PolarHBondContact O-N 3.44Å; D418-S421 PolarHBondContact O-N 3.21Å; D418-S421 PolarHBondContact O-OG 2.88Å; F419-S421 VanDerWaalsContact C-N 3.31Å; F419-S421 PolarHBondContact O-N 2.68Å; S421-A423 VanDerWaalsContact C-N 3.29Å; S421-A423 PolarHBondContact O-N 3.36Å; S421-S424 PolarHBondContact O-N 2.89Å; S421-S424 VanDerWaalsContact O-N 3.14Å; S421-I425 WeakPolarHBondContact O-CG1 3.24Å; S421-I425 PolarHBondContact O-N 3.14Å
422	E	86.5	Confident	87	Confident	12 Å²	12	40.7 Å²	40.7	6%	0.056	21%	0.209	C	C	.	.	H	α-helix	trans	-58.3	-41.5	174.8	-164.2	-172.3	149.9	0	0	111.3	K405 D418 F419 L420 M426 I449	K405-E422 IonicContact NZ-OE1 3.3Å; K405-E422 PolarHBondContact NZ-OE1 3.24Å; K405-E422 IonicContact NZ-OE2 2.77Å; K405-E422 PolarHBondContact NZ-OE2 2.96Å; D418-E422 PolarHBondContact O-N 3.19Å; F419-E422 VanDerWaalsContact O-CB 3.29Å; F419-E422 WeakPolarHBondContact O-CB 3.47Å; F419-E422 PolarHBondContact O-N 3.46Å; L420-E422 VanDerWaalsContact C-N 3.25Å; L420-E422 PolarHBondContact O-N 2.9Å; E422-M426 HydrophobicContact CG-CE 4.07Å; E422-M426 WeakPolarHBondContact O-CG 3.49Å; E422-M426 PolarHBondContact O-N 3.28Å; E422-I449 HydrophobicContact CB-CD1 4.44Å
423	A	90	Very high	87.8	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-71.6	-38.7	174.9	0	0	0	0	0	112.6	L420 S421 I425 M426 G427 L437 V440 I449	L420-A423 PolarHBondContact O-N 3.06Å; L420-A423 VanDerWaalsContact O-N 3.12Å; S421-A423 VanDerWaalsContact C-N 3.29Å; S421-A423 PolarHBondContact O-N 3.36Å; A423-I425 VanDerWaalsContact C-N 3.26Å; A423-I425 PolarHBondContact O-N 2.95Å; A423-M426 PolarHBondContact O-N 3.26Å; A423-G427 PolarHBondContact O-N 3.11Å; A423-L437 HydrophobicContact CB-CD1 4.38Å; A423-L437 HydrophobicContact CB-CD2 4.36Å; A423-L437 WeakPolarHBondContact O-CD2 3.27Å; A423-V440 HydrophobicContact CB-CG1 3.51Å; A423-I449 HydrophobicContact CB-CD1 4.1Å; A423-I449 HydrophobicContact CB-CG1 4.08Å; A423-I449 HydrophobicContact CB-CG2 4.15Å
424	S	88	Confident	88.8	Confident	0 Å²	0	33 Å²	33	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-65.2	-27.8	175.2	-57	0	0	0	0	113.3	V361 L420 S421 Q428	V361-S424 VanDerWaalsContact CG2-OG 3.28Å; V361-S424 WeakPolarHBondContact CG2-OG 3.46Å; V361-S424 PolarHBondContact N-OG 2.9Å; L420-S424 PolarHBondContact O-N 3.31Å; L420-S424 PolarHBondContact O-OG 3.02Å; S421-S424 PolarHBondContact O-N 2.89Å; S421-S424 VanDerWaalsContact O-N 3.14Å; S424-Q428 PolarHBondContact O-NE2 3.48Å
425	I	87.4	Confident	89.6	Confident	2 Å²	2	29 Å²	29	1%	0.01	15%	0.151	C	C	.	.	H	α-helix	trans	-73.9	-54.6	169.7	-64.8	170.9	0	0	0	109.7	Y348 P351 S421 A423 G427 Q428 F429 Y494 F517	Y348-I425 HydrophobicContact CE2-CB 4.46Å; Y348-I425 HydrophobicContact CE2-CG1 4.11Å; Y348-I425 HydrophobicContact CE2-CG2 4.08Å; P351-I425 HydrophobicContact CG-CG1 3.89Å; S421-I425 WeakPolarHBondContact O-CG1 3.24Å; S421-I425 PolarHBondContact O-N 3.14Å; A423-I425 VanDerWaalsContact C-N 3.26Å; A423-I425 PolarHBondContact O-N 2.95Å; I425-G427 VanDerWaalsContact C-N 3.27Å; I425-G427 PolarHBondContact O-N 2.79Å; I425-Q428 PolarHBondContact O-N 3.24Å; I425-Q428 VanDerWaalsContact O-N 3.16Å; I425-F429 HydrophobicContact CG2-CD2 4.41Å; I425-F429 HydrophobicContact CG2-CE2 3.53Å; I425-F429 HydrophobicContact CG2-CZ 4Å; I425-Y494 HydrophobicContact CG2-CE2 3.79Å; I425-F517 HydrophobicContact CB-CB 4.33Å; I425-F517 HydrophobicContact CG2-CB 3.8Å; I425-F517 HydrophobicContact CG2-CD1 4.14Å; I425-F517 HydrophobicContact CG2-CG 3.97Å
426	M	91.1	Very high	90.3	Very high	6 Å²	6	28.8 Å²	28.8	3%	0.03	15%	0.146	C	C	.	.	H	α-helix	trans	-59	-35.2	-178	-74.7	-173.1	-66.6	0	0	113.5	E422 A423 Q428 F429 I435 L437 I449 T451 F517	E422-M426 HydrophobicContact CG-CE 4.07Å; E422-M426 WeakPolarHBondContact O-CG 3.49Å; E422-M426 PolarHBondContact O-N 3.28Å; A423-M426 PolarHBondContact O-N 3.26Å; M426-Q428 PolarHBondContact O-N 3.48Å; M426-F429 PolarHBondContact O-N 3.49Å; M426-F429 VanDerWaalsContact O-N 3.1Å; M426-I435 HydrophobicContact SD-CG2 3.95Å; M426-L437 HydrophobicContact CB-CB 4.16Å; M426-L437 HydrophobicContact CE-CD1 4.37Å; M426-I449 HydrophobicContact CE-CG2 3.72Å; M426-T451 HydrophobicContact CE-CG2 4.15Å; M426-T451 HydrophobicContact SD-CG2 4.06Å; M426-F517 HydrophobicContact CG-CD2 3.37Å; M426-F517 HydrophobicContact CG-CE2 3.82Å; M426-F517 HydrophobicContact CG-CG 4.37Å; M426-F517 HydrophobicContact SD-CD2 4.13Å
427	G	91.4	Very high	90.8	Very high	28 Å²	28	28.5 Å²	28.5	29%	0.289	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-20.1	-179.8	0	0	0	0	0	114.8	F364 A423 I425 F429	F364-G427 CarbonylContact O-C 3.54Å; F364-G427 WeakPolarHBondContact O-CA 3.41Å; A423-G427 PolarHBondContact O-N 3.11Å; I425-G427 VanDerWaalsContact C-N 3.27Å; I425-G427 PolarHBondContact O-N 2.79Å; G427-F429 VanDerWaalsContact C-N 3.32Å
428	Q	90.2	Very high	91.5	Very high	21 Å²	21	24.4 Å²	24.4	10%	0.098	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-12	175.5	-65.4	177.2	58.1	0	0	113.2	I349 F364 S424 I425 M426	I349-Q428 PolarHBondContact O-NE2 2.83Å; I349-Q428 PolarHBondContact O-OE1 2.88Å; F364-Q428 HydrophobicContact CB-CG 4.03Å; F364-Q428 HydrophobicContact CD1-CG 3.61Å; F364-Q428 HydrophobicContact CD2-CG 3.94Å; F364-Q428 HydrophobicContact CE1-CG 4.04Å; F364-Q428 HydrophobicContact CE2-CG 4.34Å; F364-Q428 HydrophobicContact CG-CG 3.56Å; F364-Q428 HydrophobicContact CZ-CG 4.39Å; S424-Q428 PolarHBondContact O-NE2 3.48Å; I425-Q428 PolarHBondContact O-N 3.24Å; I425-Q428 VanDerWaalsContact O-N 3.16Å; M426-Q428 PolarHBondContact O-N 3.48Å
429	F	92	Very high	92.2	Very high	9 Å²	9	23.4 Å²	23.4	4%	0.039	13%	0.127	C	C	.	.			trans	-108.7	125.8	-171	-58.1	-32.1	0	0	0	112.8	Y348 I425 M426 G427 I434 Y488 L489 M492 Y494 F517	Y348-F429 HydrophobicContact CD2-CE1 4.11Å; Y348-F429 AromaticContact CD2-CZ 3.92Å; Y348-F429 HydrophobicContact CD2-CZ 3.92Å; Y348-F429 HydrophobicContact CE2-CZ 4.38Å; I425-F429 HydrophobicContact CG2-CD2 4.41Å; I425-F429 HydrophobicContact CG2-CE2 3.53Å; I425-F429 HydrophobicContact CG2-CZ 4Å; M426-F429 PolarHBondContact O-N 3.49Å; M426-F429 VanDerWaalsContact O-N 3.1Å; G427-F429 VanDerWaalsContact C-N 3.32Å; F429-I434 HydrophobicContact CB-CG2 3.91Å; F429-I434 HydrophobicContact CD2-CG2 4.29Å; F429-Y488 WeakPolarHBondContact CA-OH 3.5Å; F429-Y488 HydrophobicContact CB-CE1 3.92Å; F429-Y488 AromaticContact CD1-CE1 3.92Å; F429-Y488 HydrophobicContact CD1-CE1 3.92Å; F429-Y488 HydrophobicContact CG-CE1 4.16Å; F429-L489 HydrophobicContact CD1-CD2 4.11Å; F429-L489 HydrophobicContact CD2-CD2 3.74Å; F429-L489 HydrophobicContact CE1-CD2 3.92Å; F429-L489 HydrophobicContact CE2-CD2 3.5Å; F429-L489 HydrophobicContact CG-CD2 4.05Å; F429-L489 HydrophobicContact CZ-CD2 3.62Å; F429-M492 HydrophobicContact CD1-CE 4.26Å; F429-M492 HydrophobicContact CD1-CG 4.4Å; F429-M492 HydrophobicContact CE1-CB 4.32Å; F429-M492 HydrophobicContact CE1-CE 4.34Å; F429-M492 HydrophobicContact CE1-CG 4.39Å; F429-Y494 HydrophobicContact CE2-CD1 4.37Å; F429-Y494 HydrophobicContact CE2-CD2 4.49Å; F429-Y494 HydrophobicContact CE2-CE1 4.49Å; F429-Y494 HydrophobicContact CE2-CG 4.36Å; F429-Y494 HydrophobicContact CZ-CD1 4.08Å; F429-Y494 AromaticContact CZ-CD2 3.77Å; F429-Y494 HydrophobicContact CZ-CD2 3.77Å; F429-Y494 HydrophobicContact CZ-CE2 4.26Å; F429-Y494 AromaticContact CZ-CG 3.65Å; F429-Y494 HydrophobicContact CZ-CG 3.65Å; F429-F517 HydrophobicContact CD2-CE1 4.14Å; F429-F517 HydrophobicContact CD2-CE2 4.34Å; F429-F517 AromaticContact CD2-CZ 3.93Å; F429-F517 HydrophobicContact CD2-CZ 3.93Å; F429-F517 HydrophobicContact CE2-CD1 4.12Å; F429-F517 AromaticContact CE2-CE1 3.79Å; F429-F517 HydrophobicContact CE2-CE1 3.79Å; F429-F517 HydrophobicContact CE2-CZ 4.07Å
430	D	93.1	Very high	92.7	Very high	130 Å²	130	23.4 Å²	23.4	70%	0.695	13%	0.127	S	C	*	.			trans	-133.3	98.4	172.4	-175.5	19.8	0	0	0	109.7	Y488	D430-Y488 PolarHBondContact N-OH 3.2Å
431	H	96.7	Very high	93	Very high	42 Å²	42	23.5 Å²	23.5	19%	0.194	13%	0.127	C	C	.	.			trans	-156.8	138.1	-180	-178.3	-95.2	0	0	0	110.2	N433 I434 A484 Y488	H431-N433 PolarHBondContact ND1-N 2.89Å; H431-N433 PolarHBondContact O-N 3.32Å; H431-I434 HydrophobicContact CB-CB 4.34Å; H431-I434 HydrophobicContact CB-CG1 3.92Å; H431-I434 PolarHBondContact O-N 3.17Å; H431-A484 VanDerWaalsContact CE1-C 3.42Å; H431-A484 PolarHBondContact CE1-O 3.5Å; H431-A484 VanDerWaalsContact CE1-O 3.32Å; H431-Y488 HydrophobicContact CB-CD1 3.66Å; H431-Y488 HydrophobicContact CB-CD2 3.97Å; H431-Y488 HydrophobicContact CB-CE1 3.94Å; H431-Y488 HydrophobicContact CB-CE2 4.23Å; H431-Y488 HydrophobicContact CB-CG 3.67Å; H431-Y488 AromaticContact CD2-CG 3.95Å; H431-Y488 AromaticContact CG-CG 3.76Å
432	P	97.1	Very high	93.5	Very high	86 Å²	86	24.9 Å²	24.9	56%	0.558	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-24.3	-173.9	20.5	-34.8	0	0	0	115.3	K513	P432-K513 WeakPolarHBondContact O-CE 3.26Å; P432-K513 PolarHBondContact O-NZ 3.4Å; P432-K513 VanDerWaalsContact O-NZ 3.12Å
433	N	98.5	Very high	93.6	Very high	16 Å²	16	33 Å²	33	9%	0.086	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	18.5	177.4	-59.6	103.8	0	0	0	114.6	H431 G481 C512 K513 V514	H431-N433 PolarHBondContact ND1-N 2.89Å; H431-N433 PolarHBondContact O-N 3.32Å; N433-G481 WeakPolarHBondContact CB-O 3.5Å; N433-G481 VanDerWaalsContact ND2-CA 3.3Å; N433-G481 WeakPolarHBondContact ND2-CA 3.19Å; N433-C512 PolarHBondContact ND2-O 3.05Å; N433-K513 CarbonylContact O-C 3.46Å; N433-K513 VanDerWaalsContact O-CA 3.31Å; N433-K513 WeakPolarHBondContact O-CA 3.41Å; N433-V514 PolarHBondContact O-N 3.18Å
434	I	97.6	Very high	93.4	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.01	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-113.8	141.4	167	-60.4	-58.3	0	0	0	108.1	F429 H431 R436 Y488 L489 V514 F517	F429-I434 HydrophobicContact CB-CG2 3.91Å; F429-I434 HydrophobicContact CD2-CG2 4.29Å; H431-I434 HydrophobicContact CB-CB 4.34Å; H431-I434 HydrophobicContact CB-CG1 3.92Å; H431-I434 PolarHBondContact O-N 3.17Å; I434-R436 PolarHBondContact O-N 2.69Å; I434-Y488 HydrophobicContact CG1-CD1 3.96Å; I434-Y488 HydrophobicContact CG1-CE1 4.46Å; I434-L489 HydrophobicContact CD1-CD1 3.82Å; I434-L489 HydrophobicContact CD1-CD2 4.09Å; I434-L489 HydrophobicContact CD1-CG 3.77Å; I434-V514 HydrophobicContact CD1-CB 3.81Å; I434-V514 HydrophobicContact CD1-CG2 4.09Å; I434-F517 HydrophobicContact CG2-CE2 4.1Å; I434-F517 HydrophobicContact CG2-CZ 3.81Å
435	I	96.9	Very high	93.2	Very high	5 Å²	5	44.5 Å²	44.5	3%	0.026	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-63.7	122.9	176	-168.5	67.8	0	0	0	109.8	M426 T451 E452 M454 L505 V514 F517	M426-I435 HydrophobicContact SD-CG2 3.95Å; I435-T451 HydrophobicContact CG1-CG2 4.48Å; I435-E452 HydrophobicContact CD1-CG 3.69Å; I435-M454 HydrophobicContact CD1-CG 3.5Å; I435-M454 HydrophobicContact CD1-SD 3.93Å; I435-L505 HydrophobicContact CD1-CD1 4Å; I435-L505 HydrophobicContact CG1-CD1 4.3Å; I435-V514 WeakPolarHBondContact CG2-O 3.47Å; I435-V514 PolarHBondContact N-O 3.44Å; I435-F517 HydrophobicContact CG2-CE2 3.96Å
436	R	95.5	Very high	93.3	Very high	84 Å²	84	47.1 Å²	47.1	32%	0.317	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-92.3	129.8	-172.2	-172.7	178.4	54	76	10.7	111.6	I434 E438 T451 E452	I434-R436 PolarHBondContact O-N 2.69Å; R436-E438 IonicContact CZ-OE1 2.65Å; R436-E438 VanDerWaalsContact CZ-OE1 3.24Å; R436-E438 IonicContact CZ-OE2 2.74Å; R436-E438 IonicContact NH1-OE1 2.8Å; R436-E438 PolarHBondContact NH1-OE1 3.27Å; R436-E438 IonicContact NH1-OE2 3.26Å; R436-E438 PolarHBondContact NH1-OE2 3.02Å; R436-E438 IonicContact NH2-OE1 2.64Å; R436-E438 PolarHBondContact NH2-OE1 2.96Å; R436-T451 WeakPolarHBondContact O-CA 3.38Å; R436-T451 WeakPolarHBondContact O-CB 3.39Å; R436-E452 HydrophobicContact CB-CG 4.46Å; R436-E452 VanDerWaalsContact CB-OE1 3.25Å; R436-E452 WeakPolarHBondContact CB-OE1 3.33Å; R436-E452 PolarHBondContact N-OE1 1.98Å; R436-E452 IonicContact NE-OE2 2.78Å; R436-E452 IonicContact NH2-OE2 3.19Å; R436-E452 PolarHBondContact O-N 2.62Å; R436-E452 VanDerWaalsContact O-N 3.1Å
437	L	96.1	Very high	93.3	Very high	22 Å²	22	47 Å²	47	12%	0.115	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	127.4	167.7	-172.1	67.2	0	0	0	110.1	A365 A423 M426 G439 I449 T451	A365-L437 HydrophobicContact CB-CD2 3.73Å; A423-L437 HydrophobicContact CB-CD1 4.38Å; A423-L437 HydrophobicContact CB-CD2 4.36Å; A423-L437 WeakPolarHBondContact O-CD2 3.27Å; M426-L437 HydrophobicContact CB-CB 4.16Å; M426-L437 HydrophobicContact CE-CD1 4.37Å; L437-G439 WeakPolarHBondContact CD1-O 3.21Å; L437-I449 HydrophobicContact CD1-CG2 3.63Å; L437-T451 HydrophobicContact CD1-CG2 4.35Å
438	E	95.9	Very high	93.5	Very high	22 Å²	22	45.9 Å²	45.9	10%	0.103	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	-34.1	164.2	-63.8	-68.7	177.6	0	0	110.8	I368 L392 I400 V402 R436 V450	I368-E438 HydrophobicContact CD1-CB 4.25Å; L392-E438 HydrophobicContact CD2-CB 3.67Å; L392-E438 HydrophobicContact CD2-CG 3.88Å; I400-E438 WeakPolarHBondContact CD1-OE1 3.36Å; V402-E438 HydrophobicContact CG1-CG 3.96Å; R436-E438 IonicContact CZ-OE1 2.65Å; R436-E438 VanDerWaalsContact CZ-OE1 3.24Å; R436-E438 IonicContact CZ-OE2 2.74Å; R436-E438 IonicContact NH1-OE1 2.8Å; R436-E438 PolarHBondContact NH1-OE1 3.27Å; R436-E438 IonicContact NH1-OE2 3.26Å; R436-E438 PolarHBondContact NH1-OE2 3.02Å; R436-E438 IonicContact NH2-OE1 2.64Å; R436-E438 PolarHBondContact NH2-OE1 2.96Å; E438-V450 HydrophobicContact CB-CB 4.39Å; E438-V450 HydrophobicContact CB-CG1 4.1Å; E438-V450 WeakPolarHBondContact CB-O 3.36Å; E438-V450 HydrophobicContact CG-CG1 4.45Å; E438-V450 PolarHBondContact N-O 2.92Å
439	G	95.4	Very high	93.7	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	158.1	-167	177.1	0	0	0	0	0	113	K366 L437 V450	K366-G439 CarbonylContact O-C 3.58Å; K366-G439 WeakPolarHBondContact O-CA 3.41Å; L437-G439 WeakPolarHBondContact CD1-O 3.21Å; G439-V450 PolarHBondContact N-O 3.1Å; G439-V450 PolarHBondContact O-N 2.95Å
440	V	96.1	Very high	93.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	160.3	178.8	-67.9	0	0	0	0	110.4	V361 A365 K366 E367 I368 A423 T442 M448 I449	V361-V440 HydrophobicContact CG1-CG2 3.79Å; A365-V440 HydrophobicContact CB-CG1 4.1Å; A365-V440 HydrophobicContact CB-CG2 4.08Å; K366-V440 PolarHBondContact O-N 3.24Å; E367-V440 CarbonylContact C-O 3.51Å; E367-V440 WeakPolarHBondContact CA-O 3.45Å; I368-V440 PolarHBondContact N-O 3.16Å; A423-V440 HydrophobicContact CB-CG1 3.51Å; V440-T442 HydrophobicContact CB-CG2 4.05Å; V440-T442 HydrophobicContact CG2-CG2 3.82Å; V440-M448 CarbonylContact C-O 3.56Å; V440-M448 VanDerWaalsContact CA-O 3.3Å; V440-M448 WeakPolarHBondContact CA-O 3.46Å; V440-I449 HydrophobicContact CG1-CG1 4.36Å
441	V	95.2	Very high	94.1	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.006	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	108.4	166.1	-174.3	0	0	0	0	106.9	I368 V370 V373 S444 V447 M448	I368-V441 HydrophobicContact CB-CG2 4.06Å; I368-V441 HydrophobicContact CG2-CG2 4.31Å; V370-V441 HydrophobicContact CB-CG1 4.19Å; V373-V441 HydrophobicContact CG2-CG2 4.37Å; V441-S444 WeakPolarHBondContact CG1-OG 3.08Å; V441-V447 WeakPolarHBondContact O-CA 3.29Å; V441-V447 WeakPolarHBondContact O-CG1 3.28Å; V441-M448 HydrophobicContact CB-CB 4.04Å; V441-M448 HydrophobicContact CB-CE 4.13Å; V441-M448 HydrophobicContact CB-CG 4.34Å; V441-M448 HydrophobicContact CG1-CE 4.14Å; V441-M448 HydrophobicContact CG2-CB 4.26Å; V441-M448 HydrophobicContact CG2-CE 4.13Å; V441-M448 PolarHBondContact N-O 2.84Å; V441-M448 PolarHBondContact O-N 2.86Å
442	T	92.1	Very high	94	Very high	34 Å²	34	38.6 Å²	38.6	21%	0.209	19%	0.186	C	C	.	.			trans	-117.8	-20.9	-175.6	67.3	0	0	0	0	113.5	V361 E367 L420 V440 V447	V361-T442 HydrophobicContact CG1-CG2 4.25Å; E367-T442 VanDerWaalsContact CD-OG1 3.3Å; E367-T442 PolarHBondContact OE1-N 3.02Å; E367-T442 PolarHBondContact OE1-OG1 2.6Å; E367-T442 WeakPolarHBondContact OE2-CB 3.47Å; E367-T442 PolarHBondContact OE2-N 3Å; E367-T442 VanDerWaalsContact OE2-N 3.14Å; E367-T442 PolarHBondContact OE2-OG1 3.41Å; L420-T442 HydrophobicContact CD2-CG2 3.91Å; V440-T442 HydrophobicContact CB-CG2 4.05Å; V440-T442 HydrophobicContact CG2-CG2 3.82Å; T442-V447 HydrophobicContact CG2-CG1 4.41Å
443	K	88.6	Confident	94	Very high	182 Å²	182	36.1 Å²	36.1	79%	0.791	17%	0.167	S	C	*	.	S	Bend	trans	-83.5	-6.8	-179.6	-67	170.2	-174.5	170.9	0	114.7	E367	E367-K443 HydrophobicContact CG-CD 3.94Å; E367-K443 HydrophobicContact CG-CG 4.44Å; E367-K443 WeakPolarHBondContact OE1-CB 3.42Å; E367-K443 WeakPolarHBondContact OE1-CG 3.38Å; E367-K443 PolarHBondContact OE1-N 3.39Å
444	S	86.6	Confident	94	Very high	33 Å²	33	35.9 Å²	35.9	23%	0.231	17%	0.166	C	C	.	.	S	Bend	trans	-131.5	173.2	175.3	65.4	0	0	0	0	111.5	V441	V441-S444 WeakPolarHBondContact CG1-OG 3.08Å
445	R	83	Confident	93.8	Very high	209 Å²	209	40 Å²	40	79%	0.789	19%	0.185	S	C	*	.	S	Bend	trans	-111.4	142.9	173	-71.5	-178.6	172.2	173.6	-1.4	110.6
446	P	89.8	Confident	93.8	Very high	57 Å²	57	42.4 Å²	42.4	37%	0.37	20%	0.198	S	C	.	.	S	Bend	cis	-64.6	157.2	-7.3	30.6	-36.3	0	0	0	111.9	T406 M448	T406-P446 HydrophobicContact CG2-CB 4.4Å; T406-P446 HydrophobicContact CG2-CG 4.12Å; P446-M448 HydrophobicContact CG-CG 4.22Å; P446-M448 HydrophobicContact CG-SD 4.39Å; P446-M448 WeakPolarHBondContact O-CG 3.43Å
447	V	91.6	Very high	93.7	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.024	20%	0.197	C	C	.	.			trans	-73	135.4	168.8	-174.1	0	0	0	0	107.4	T406 L407 Y411 F419 L420 V441 T442	T406-V447 WeakPolarHBondContact CA-O 3.41Å; L407-V447 HydrophobicContact CB-CB 4.15Å; L407-V447 HydrophobicContact CD2-CB 4.32Å; L407-V447 PolarHBondContact N-O 3.09Å; Y411-V447 HydrophobicContact CE1-CG2 4.34Å; F419-V447 HydrophobicContact CD1-CG1 4.39Å; F419-V447 HydrophobicContact CE1-CB 4.42Å; F419-V447 HydrophobicContact CE1-CG1 3.99Å; L420-V447 HydrophobicContact CD2-CG1 4.04Å; V441-V447 WeakPolarHBondContact O-CA 3.29Å; V441-V447 WeakPolarHBondContact O-CG1 3.28Å; T442-V447 HydrophobicContact CG2-CG1 4.41Å
448	M	94.9	Very high	93.7	Very high	4 Å²	4	40 Å²	40	2%	0.02	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	148.5	-172.1	-49.8	-170.1	-112.1	0	0	113	V370 I375 I404 K405 T406 V440 V441 P446	V370-M448 HydrophobicContact CG2-CE 3.87Å; I375-M448 HydrophobicContact CD1-SD 4.12Å; I404-M448 HydrophobicContact CG2-CB 4.14Å; I404-M448 HydrophobicContact CG2-CG 4.21Å; I404-M448 HydrophobicContact CG2-SD 3.57Å; I404-M448 VanDerWaalsContact CG2-SD 3.57Å; K405-M448 CarbonylContact O-C 3.58Å; K405-M448 WeakPolarHBondContact O-CA 3.26Å; T406-M448 HydrophobicContact CG2-CG 4.16Å; T406-M448 HydrophobicContact CG2-SD 4.47Å; V440-M448 CarbonylContact C-O 3.56Å; V440-M448 VanDerWaalsContact CA-O 3.3Å; V440-M448 WeakPolarHBondContact CA-O 3.46Å; V441-M448 HydrophobicContact CB-CB 4.04Å; V441-M448 HydrophobicContact CB-CE 4.13Å; V441-M448 HydrophobicContact CB-CG 4.34Å; V441-M448 HydrophobicContact CG1-CE 4.14Å; V441-M448 HydrophobicContact CG2-CB 4.26Å; V441-M448 HydrophobicContact CG2-CE 4.13Å; V441-M448 PolarHBondContact N-O 2.84Å; V441-M448 PolarHBondContact O-N 2.86Å; P446-M448 HydrophobicContact CG-CG 4.22Å; P446-M448 HydrophobicContact CG-SD 4.39Å; P446-M448 WeakPolarHBondContact O-CG 3.43Å
449	I	94.8	Very high	93.8	Very high	2 Å²	2	39 Å²	39	1%	0.01	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	126.2	164.7	-57.8	170	0	0	0	106.6	K405 F419 E422 A423 M426 L437 V440 T451	K405-I449 HydrophobicContact CB-CB 4.29Å; K405-I449 PolarHBondContact N-O 2.8Å; K405-I449 PolarHBondContact O-N 2.89Å; F419-I449 HydrophobicContact CD1-CD1 4.02Å; F419-I449 HydrophobicContact CD1-CG1 4.31Å; F419-I449 HydrophobicContact CD2-CD1 3.89Å; F419-I449 HydrophobicContact CE1-CD1 3.81Å; F419-I449 HydrophobicContact CE1-CG1 3.68Å; F419-I449 HydrophobicContact CE2-CD1 3.71Å; F419-I449 HydrophobicContact CE2-CG1 4.17Å; F419-I449 HydrophobicContact CG-CD1 4.07Å; F419-I449 HydrophobicContact CZ-CB 4.38Å; F419-I449 HydrophobicContact CZ-CD1 3.67Å; F419-I449 HydrophobicContact CZ-CG1 3.63Å; F419-I449 VanDerWaalsContact O-CD1 3.28Å; F419-I449 WeakPolarHBondContact O-CD1 3.31Å; E422-I449 HydrophobicContact CB-CD1 4.44Å; A423-I449 HydrophobicContact CB-CD1 4.1Å; A423-I449 HydrophobicContact CB-CG1 4.08Å; A423-I449 HydrophobicContact CB-CG2 4.15Å; M426-I449 HydrophobicContact CE-CG2 3.72Å; L437-I449 HydrophobicContact CD1-CG2 3.63Å; V440-I449 HydrophobicContact CG1-CG1 4.36Å; I449-T451 HydrophobicContact CG2-CG2 4.41Å
450	V	96.9	Very high	93.8	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	115.1	-175.1	-171.6	0	0	0	0	108.8	I368 L392 V402 A403 E438 G439	I368-V450 HydrophobicContact CD1-CB 4.05Å; I368-V450 HydrophobicContact CD1-CG1 4.42Å; I368-V450 HydrophobicContact CD1-CG2 4.2Å; L392-V450 HydrophobicContact CD2-CG1 4.34Å; V402-V450 HydrophobicContact CB-CG1 3.65Å; V402-V450 HydrophobicContact CG1-CG1 3.78Å; V402-V450 HydrophobicContact CG2-CG1 3.84Å; A403-V450 WeakPolarHBondContact O-CA 3.48Å; E438-V450 HydrophobicContact CB-CB 4.39Å; E438-V450 HydrophobicContact CB-CG1 4.1Å; E438-V450 WeakPolarHBondContact CB-O 3.36Å; E438-V450 HydrophobicContact CG-CG1 4.45Å; E438-V450 PolarHBondContact N-O 2.92Å; G439-V450 PolarHBondContact N-O 3.1Å; G439-V450 PolarHBondContact O-N 2.95Å
451	T	96.8	Very high	93.6	Very high	20 Å²	20	42.1 Å²	42.1	12%	0.123	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	166.3	177.4	54	0	0	0	0	110.7	V402 A403 M426 I435 R436 L437 I449	V402-T451 CarbonylContact C-O 3.58Å; V402-T451 VanDerWaalsContact CA-O 3.27Å; V402-T451 WeakPolarHBondContact CA-O 3.46Å; V402-T451 VanDerWaalsContact CB-O 3.27Å; V402-T451 WeakPolarHBondContact CB-O 3.31Å; A403-T451 PolarHBondContact N-O 3.25Å; A403-T451 PolarHBondContact O-N 2.89Å; M426-T451 HydrophobicContact CE-CG2 4.15Å; M426-T451 HydrophobicContact SD-CG2 4.06Å; I435-T451 HydrophobicContact CG1-CG2 4.48Å; R436-T451 WeakPolarHBondContact O-CA 3.38Å; R436-T451 WeakPolarHBondContact O-CB 3.39Å; L437-T451 HydrophobicContact CD1-CG2 4.35Å; I449-T451 HydrophobicContact CG2-CG2 4.41Å
452	E	95.8	Very high	93.7	Very high	27 Å²	27	42.6 Å²	42.6	13%	0.126	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	142	171.4	70.5	-164.1	145.1	0	0	111.7	I435 R436 M454 K513	I435-E452 HydrophobicContact CD1-CG 3.69Å; R436-E452 HydrophobicContact CB-CG 4.46Å; R436-E452 VanDerWaalsContact CB-OE1 3.25Å; R436-E452 WeakPolarHBondContact CB-OE1 3.33Å; R436-E452 PolarHBondContact N-OE1 1.98Å; R436-E452 IonicContact NE-OE2 2.78Å; R436-E452 IonicContact NH2-OE2 3.19Å; R436-E452 PolarHBondContact O-N 2.62Å; R436-E452 VanDerWaalsContact O-N 3.1Å; E452-M454 HydrophobicContact CG-SD 4.19Å; E452-K513 VanDerWaalsContact OE1-CD 3.28Å; E452-K513 WeakPolarHBondContact OE1-CD 3.43Å; E452-K513 WeakPolarHBondContact OE1-CE 3.24Å; E452-K513 IonicContact OE1-NZ 2.7Å; E452-K513 PolarHBondContact OE1-NZ 3.16Å; E452-K513 IonicContact OE2-NZ 3.79Å; E452-K513 PolarHBondContact OE2-NZ 3.42Å
453	F	97	Very high	93.7	Very high	34 Å²	34	41 Å²	41	15%	0.149	21%	0.209	C	C	.	.			trans	-75.3	140.9	177.8	-173	-124.4	0	0	0	111.4	I379 K389 Y401 A403 E455	I379-F453 HydrophobicContact CD1-CD2 4.31Å; I379-F453 HydrophobicContact CD1-CE2 3.78Å; K389-F453 HydrophobicContact CB-CD2 4.34Å; K389-F453 HydrophobicContact CB-CE2 3.91Å; K389-F453 HydrophobicContact CB-CZ 4.27Å; K389-F453 HydrophobicContact CD-CE1 3.89Å; K389-F453 HydrophobicContact CD-CE2 4.09Å; K389-F453 HydrophobicContact CD-CZ 3.62Å; K389-F453 HydrophobicContact CG-CD1 4.4Å; K389-F453 HydrophobicContact CG-CD2 4.11Å; K389-F453 HydrophobicContact CG-CE1 4.12Å; K389-F453 HydrophobicContact CG-CE2 3.83Å; K389-F453 HydrophobicContact CG-CG 4.42Å; K389-F453 HydrophobicContact CG-CZ 3.84Å; Y401-F453 PolarHBondContact O-N 2.87Å; A403-F453 HydrophobicContact CB-CD2 4.43Å; F453-E455 HydrophobicContact CD1-CG 3.78Å; F453-E455 HydrophobicContact CE1-CB 4.12Å; F453-E455 HydrophobicContact CE1-CG 3.69Å
454	M	96.9	Very high	93.7	Very high	12 Å²	12	38 Å²	38	6%	0.059	19%	0.193	C	C	.	.			trans	-123.9	93.3	-177.7	-61.6	-65.5	-71.3	0	0	108.2	I435 E452 N456 G457 L505 V506 N507 K513	I435-M454 HydrophobicContact CD1-CG 3.5Å; I435-M454 HydrophobicContact CD1-SD 3.93Å; E452-M454 HydrophobicContact CG-SD 4.19Å; M454-N456 PolarHBondContact O-N 3.44Å; M454-N456 VanDerWaalsContact O-N 3.11Å; M454-G457 PolarHBondContact O-N 3.43Å; M454-G457 VanDerWaalsContact O-N 3.11Å; M454-L505 HydrophobicContact CB-CB 3.87Å; M454-L505 HydrophobicContact CB-CD1 4.43Å; M454-L505 VanDerWaalsContact CE-C 3.47Å; M454-L505 HydrophobicContact CE-CB 3.87Å; M454-L505 VanDerWaalsContact CE-O 3.25Å; M454-L505 WeakPolarHBondContact CE-O 3.35Å; M454-L505 HydrophobicContact CG-CB 3.79Å; M454-L505 HydrophobicContact CG-CD1 4.1Å; M454-V506 CarbonylContact C-O 3.5Å; M454-V506 VanDerWaalsContact C-O 3.29Å; M454-N507 HydrophobicContact CE-CB 3.9Å; M454-N507 HydrophobicContact SD-CB 3.86Å; M454-K513 HydrophobicContact CE-CB 3.92Å; M454-K513 HydrophobicContact CE-CD 3.74Å; M454-K513 HydrophobicContact CE-CG 3.61Å; M454-K513 HydrophobicContact SD-CD 3.88Å; M454-K513 HydrophobicContact SD-CG 4.43Å
455	E	94.8	Very high	93.8	Very high	89 Å²	89	43.8 Å²	43.8	42%	0.416	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-25.6	-161.5	-58.5	93.2	140.3	0	0	114.7	F453 N507 S508	F453-E455 HydrophobicContact CD1-CG 3.78Å; F453-E455 HydrophobicContact CE1-CB 4.12Å; F453-E455 HydrophobicContact CE1-CG 3.69Å; E455-N507 VanDerWaalsContact OE2-CA 3.28Å; E455-N507 WeakPolarHBondContact OE2-CA 3.49Å; E455-N507 VanDerWaalsContact OE2-CB 3.3Å; E455-N507 WeakPolarHBondContact OE2-CB 3.3Å; E455-S508 VanDerWaalsContact CD-CB 3.4Å; E455-S508 WeakPolarHBondContact OE1-CB 3.37Å; E455-S508 PolarHBondContact OE1-OG 3.01Å; E455-S508 PolarHBondContact OE2-N 3.42Å; E455-S508 PolarHBondContact OE2-OG 3.46Å
456	N	95.4	Very high	93.9	Very high	55 Å²	55	36.1 Å²	36.1	29%	0.294	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	0.9	-176.4	-75.8	-44.6	0	0	0	113.2	M454 F462 V506 N507	M454-N456 PolarHBondContact O-N 3.44Å; M454-N456 VanDerWaalsContact O-N 3.11Å; N456-F462 HydrophobicContact CB-CD2 3.56Å; N456-F462 HydrophobicContact CB-CE2 3.63Å; N456-F462 HydrophobicContact CB-CG 4.14Å; N456-F462 HydrophobicContact CB-CZ 4.26Å; N456-F462 WeakPolarHBondContact OD1-CE2 3.26Å; N456-V506 WeakPolarHBondContact CA-O 3.38Å; N456-V506 HydrophobicContact CB-CB 3.85Å; N456-V506 HydrophobicContact CB-CG1 3.99Å; N456-V506 WeakPolarHBondContact CB-O 3.44Å; N456-V506 PolarHBondContact N-O 2.84Å; N456-N507 PolarHBondContact ND2-O 2.97Å
457	G	94.9	Very high	93.4	Very high	29 Å²	29	35.1 Å²	35.1	30%	0.299	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	67.5	-147.6	175.6	0	0	0	0	0	114	M454 L505 V506	M454-G457 PolarHBondContact O-N 3.43Å; M454-G457 VanDerWaalsContact O-N 3.11Å; G457-L505 CarbonylContact O-C 3.56Å; G457-L505 WeakPolarHBondContact O-CA 3.17Å; G457-V506 PolarHBondContact O-N 3.41Å
458	A	96.3	Very high	92.7	Very high	27 Å²	27	36.7 Å²	36.7	22%	0.223	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	134.9	-178.4	0	0	0	0	0	112.4	D460 S461 F462 R502 I504	A458-D460 PolarHBondContact O-N 3.23Å; A458-S461 PolarHBondContact O-N 2.97Å; A458-F462 WeakPolarHBondContact O-CB 3.33Å; A458-F462 PolarHBondContact O-N 3.48Å; A458-R502 WeakPolarHBondContact CB-O 3.48Å; A458-I504 CarbonylContact C-O 3.56Å; A458-I504 WeakPolarHBondContact CA-O 3.47Å
459	L	98.1	Very high	92.2	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-60.7	-39.4	-171.9	176	61.7	0	0	0	113.1	S461 F462 L463 M478 I482 A501 I504 V506 V571	L459-S461 VanDerWaalsContact C-N 3.3Å; L459-S461 PolarHBondContact O-N 3.04Å; L459-F462 HydrophobicContact CD1-CD1 4.36Å; L459-F462 PolarHBondContact O-N 3.05Å; L459-L463 HydrophobicContact CD1-CD1 3.81Å; L459-L463 HydrophobicContact CD1-CD2 4.41Å; L459-L463 HydrophobicContact CD1-CG 3.83Å; L459-L463 HydrophobicContact CG-CD1 3.84Å; L459-L463 HydrophobicContact CG-CG 4.32Å; L459-L463 WeakPolarHBondContact O-CB 3.44Å; L459-L463 WeakPolarHBondContact O-CD1 3.3Å; L459-L463 VanDerWaalsContact O-CG 3.23Å; L459-L463 WeakPolarHBondContact O-CG 3.47Å; L459-L463 PolarHBondContact O-N 3.48Å; L459-M478 HydrophobicContact CD1-SD 3.99Å; L459-I482 HydrophobicContact CD2-CD1 3.67Å; L459-A501 WeakPolarHBondContact CB-O 3.37Å; L459-A501 PolarHBondContact N-O 2.87Å; L459-I504 HydrophobicContact CB-CB 3.92Å; L459-I504 HydrophobicContact CB-CG2 4.06Å; L459-I504 WeakPolarHBondContact CB-O 3.39Å; L459-I504 HydrophobicContact CD2-CB 3.99Å; L459-I504 HydrophobicContact CD2-CG1 4.45Å; L459-I504 HydrophobicContact CD2-CG2 3.75Å; L459-I504 PolarHBondContact N-O 3.24Å; L459-V506 HydrophobicContact CB-CG2 3.72Å; L459-V506 HydrophobicContact CD1-CG2 3.63Å; L459-V506 HydrophobicContact CG-CG2 4.24Å; L459-V571 HydrophobicContact CD2-CG2 3.77Å; L459-V571 HydrophobicContact CG-CG2 4.45Å
460	D	94.9	Very high	91.9	Very high	21 Å²	21	44.2 Å²	44.2	11%	0.112	23%	0.234	C	C	.	.	H	α-helix	trans	-60.8	-41	179.9	83.8	-45.1	0	0	0	112.1	A458 R464 A501	A458-D460 PolarHBondContact O-N 3.23Å; D460-R464 VanDerWaalsContact CG-NH2 3.28Å; D460-R464 WeakPolarHBondContact O-CG 3.27Å; D460-R464 PolarHBondContact O-N 3.14Å; D460-R464 PolarHBondContact O-NH1 2.91Å; D460-R464 IonicContact OD1-NH2 3.87Å; D460-R464 IonicContact OD2-CZ 2.96Å; D460-R464 VanDerWaalsContact OD2-CZ 3.24Å; D460-R464 IonicContact OD2-NH1 2.85Å; D460-R464 PolarHBondContact OD2-NH1 2.95Å; D460-R464 IonicContact OD2-NH2 3.68Å; D460-R464 PolarHBondContact OD2-NH2 2.73Å; D460-A501 HydrophobicContact CB-CB 3.81Å; D460-A501 PolarHBondContact N-O 3.02Å
461	S	91.9	Very high	91.6	Very high	44 Å²	44	47.9 Å²	47.9	31%	0.308	26%	0.257	S	S	.	.	H	α-helix	trans	-81.8	-33.5	-178.3	-60.6	0	0	0	0	111.4	A458 L459 R464 Q465	A458-S461 PolarHBondContact O-N 2.97Å; L459-S461 VanDerWaalsContact C-N 3.3Å; L459-S461 PolarHBondContact O-N 3.04Å; S461-R464 PolarHBondContact OG-NH2 2.68Å; S461-Q465 WeakPolarHBondContact O-CG 3.48Å; S461-Q465 PolarHBondContact O-N 2.86Å; S461-Q465 PolarHBondContact O-NE2 2.87Å
462	F	96.2	Very high	91.3	Very high	11 Å²	11	49.3 Å²	49.3	5%	0.048	27%	0.265	C	S	.	.	H	α-helix	trans	-63.3	-44.7	171.4	176.4	-112.2	0	0	0	111.8	N456 A458 L459 Q465 N466 F470 M478 V506 L510	N456-F462 HydrophobicContact CB-CD2 3.56Å; N456-F462 HydrophobicContact CB-CE2 3.63Å; N456-F462 HydrophobicContact CB-CG 4.14Å; N456-F462 HydrophobicContact CB-CZ 4.26Å; N456-F462 WeakPolarHBondContact OD1-CE2 3.26Å; A458-F462 WeakPolarHBondContact O-CB 3.33Å; A458-F462 PolarHBondContact O-N 3.48Å; L459-F462 HydrophobicContact CD1-CD1 4.36Å; L459-F462 PolarHBondContact O-N 3.05Å; F462-Q465 PolarHBondContact O-N 2.98Å; F462-N466 WeakPolarHBondContact CD2-ND2 3.33Å; F462-N466 WeakPolarHBondContact CE2-ND2 3.14Å; F462-N466 PolarHBondContact O-N 2.98Å; F462-N466 PolarHBondContact O-ND2 3.42Å; F462-F470 HydrophobicContact CD1-CE2 4.4Å; F462-F470 HydrophobicContact CD1-CZ 4.49Å; F462-F470 AromaticContact CE1-CE2 3.74Å; F462-F470 HydrophobicContact CE1-CE2 3.74Å; F462-F470 AromaticContact CE1-CZ 3.47Å; F462-F470 HydrophobicContact CE1-CZ 3.47Å; F462-F470 VanDerWaalsContact CE1-CZ 3.47Å; F462-F470 HydrophobicContact CZ-CE1 4.43Å; F462-F470 HydrophobicContact CZ-CE2 4.21Å; F462-F470 AromaticContact CZ-CZ 3.52Å; F462-F470 HydrophobicContact CZ-CZ 3.52Å; F462-M478 HydrophobicContact CE1-CE 4.13Å; F462-V506 HydrophobicContact CD1-CB 4.37Å; F462-V506 HydrophobicContact CD1-CG1 4.11Å; F462-V506 HydrophobicContact CD1-CG2 4.15Å; F462-V506 HydrophobicContact CE1-CG1 3.99Å; F462-V506 HydrophobicContact CZ-CG1 4.49Å; F462-L510 HydrophobicContact CE1-CD2 3.85Å; F462-L510 HydrophobicContact CZ-CD2 3.54Å
463	L	93.5	Very high	91.2	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-62.7	-47.6	177.1	-74.9	165.3	0	0	0	111.9	L459 Q465 N466 D467 F470 L475 M478 V571 Y574	L459-L463 HydrophobicContact CD1-CD1 3.81Å; L459-L463 HydrophobicContact CD1-CD2 4.41Å; L459-L463 HydrophobicContact CD1-CG 3.83Å; L459-L463 HydrophobicContact CG-CD1 3.84Å; L459-L463 HydrophobicContact CG-CG 4.32Å; L459-L463 WeakPolarHBondContact O-CB 3.44Å; L459-L463 WeakPolarHBondContact O-CD1 3.3Å; L459-L463 VanDerWaalsContact O-CG 3.23Å; L459-L463 WeakPolarHBondContact O-CG 3.47Å; L459-L463 PolarHBondContact O-N 3.48Å; L463-Q465 PolarHBondContact O-N 3.04Å; L463-N466 CarbonylContact O-C 3.5Å; L463-N466 WeakPolarHBondContact O-CA 3.37Å; L463-N466 PolarHBondContact O-N 3.42Å; L463-D467 PolarHBondContact O-N 2.85Å; L463-D467 VanDerWaalsContact O-N 3.09Å; L463-F470 HydrophobicContact CD2-CD2 4.14Å; L463-F470 HydrophobicContact CD2-CE2 4.27Å; L463-L475 HydrophobicContact CD2-CD2 3.84Å; L463-M478 HydrophobicContact CD2-SD 4.43Å; L463-V571 HydrophobicContact CD1-CB 4.31Å; L463-V571 HydrophobicContact CD1-CG1 4.46Å; L463-V571 HydrophobicContact CD1-CG2 4.1Å; L463-Y574 CarbonylContact C-O 3.57Å; L463-Y574 HydrophobicContact CB-CD1 4.32Å; L463-Y574 HydrophobicContact CD2-CD1 3.96Å; L463-Y574 HydrophobicContact CD2-CE1 4.29Å
464	R	88.4	Confident	91.1	Very high	121 Å²	121	53.2 Å²	53.2	46%	0.457	29%	0.286	S	S	.	.	H	α-helix	trans	-60.7	-30	177	-71.5	-175.1	-63	-98.4	0.6	113.4	D460 S461 N466 Y574 G575	D460-R464 VanDerWaalsContact CG-NH2 3.28Å; D460-R464 WeakPolarHBondContact O-CG 3.27Å; D460-R464 PolarHBondContact O-N 3.14Å; D460-R464 PolarHBondContact O-NH1 2.91Å; D460-R464 IonicContact OD1-NH2 3.87Å; D460-R464 IonicContact OD2-CZ 2.96Å; D460-R464 VanDerWaalsContact OD2-CZ 3.24Å; D460-R464 IonicContact OD2-NH1 2.85Å; D460-R464 PolarHBondContact OD2-NH1 2.95Å; D460-R464 IonicContact OD2-NH2 3.68Å; D460-R464 PolarHBondContact OD2-NH2 2.73Å; S461-R464 PolarHBondContact OG-NH2 2.68Å; R464-N466 VanDerWaalsContact C-N 3.33Å; R464-Y574 WeakPolarHBondContact CG-O 3.39Å; R464-Y574 PolarHBondContact N-O 3.46Å; R464-G575 WeakPolarHBondContact CD-O 3.35Å; R464-G575 PolarHBondContact NH1-O 3.25Å
465	Q	87.5	Confident	91.1	Very high	154 Å²	154	52.9 Å²	52.9	72%	0.72	28%	0.284	S	S	*	.	H	α-helix	trans	-77.3	-17.4	173.9	-75.5	169.4	80.7	0	0	113.5	S461 F462 L463	S461-Q465 WeakPolarHBondContact O-CG 3.48Å; S461-Q465 PolarHBondContact O-N 2.86Å; S461-Q465 PolarHBondContact O-NE2 2.87Å; F462-Q465 PolarHBondContact O-N 2.98Å; L463-Q465 PolarHBondContact O-N 3.04Å
466	N	85	Confident	91.1	Very high	48 Å²	48	48.6 Å²	48.6	26%	0.257	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.4	34.5	-175.9	-67.6	-91.3	0	0	0	111.1	F462 L463 R464 G468 Q469 F470 Y574	F462-N466 WeakPolarHBondContact CD2-ND2 3.33Å; F462-N466 WeakPolarHBondContact CE2-ND2 3.14Å; F462-N466 PolarHBondContact O-N 2.98Å; F462-N466 PolarHBondContact O-ND2 3.42Å; L463-N466 CarbonylContact O-C 3.5Å; L463-N466 WeakPolarHBondContact O-CA 3.37Å; L463-N466 PolarHBondContact O-N 3.42Å; R464-N466 VanDerWaalsContact C-N 3.33Å; N466-G468 PolarHBondContact O-N 3.05Å; N466-Q469 HydrophobicContact CB-CB 4.25Å; N466-Q469 HydrophobicContact CB-CG 4.25Å; N466-Q469 WeakPolarHBondContact O-CB 3.32Å; N466-Q469 WeakPolarHBondContact O-CG 3.37Å; N466-Q469 PolarHBondContact O-N 2.85Å; N466-F470 HydrophobicContact CB-CE2 3.59Å; N466-F470 HydrophobicContact CB-CZ 3.75Å; N466-Y574 VanDerWaalsContact O-CE1 3.25Å; N466-Y574 WeakPolarHBondContact O-CE1 3.39Å
467	D	79.9	Confident	91.2	Very high	35 Å²	35	47.6 Å²	47.6	19%	0.187	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	129	-177.1	-174.6	15.6	0	0	0	111.4	L463 Q469 A713 G714	L463-D467 PolarHBondContact O-N 2.85Å; L463-D467 VanDerWaalsContact O-N 3.09Å; D467-Q469 PolarHBondContact O-N 2.91Å; D467-Q469 VanDerWaalsContact O-N 3.14Å; D467-Q469 PolarHBondContact O-NE2 3.35Å; D467-A713 HydrophobicContact CB-CB 4.25Å; D467-A713 WeakPolarHBondContact OD2-CA 3.21Å; D467-A713 WeakPolarHBondContact OD2-CB 3.44Å; D467-A713 PolarHBondContact OD2-N 2.96Å; D467-G714 PolarHBondContact OD1-N 3.4Å; D467-G714 PolarHBondContact OD2-N 2.72Å
468	G	76.4	Confident	91.4	Very high	37 Å²	37	46.4 Å²	46.4	38%	0.381	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.5	-5.1	-175.5	0	0	0	0	0	117	N466 F470 Y574	N466-G468 PolarHBondContact O-N 3.05Å; G468-F470 PolarHBondContact O-N 3.08Å; G468-Y574 VanDerWaalsContact N-CE1 3.35Å
469	Q	83.8	Confident	91.5	Very high	140 Å²	140	45.1 Å²	45.1	65%	0.654	24%	0.243	S	C	*	.			trans	-77.8	-14.9	-171.7	-57	-56	-47.9	0	0	114.5	N466 D467	N466-Q469 HydrophobicContact CB-CB 4.25Å; N466-Q469 HydrophobicContact CB-CG 4.25Å; N466-Q469 WeakPolarHBondContact O-CB 3.32Å; N466-Q469 WeakPolarHBondContact O-CG 3.37Å; N466-Q469 PolarHBondContact O-N 2.85Å; D467-Q469 PolarHBondContact O-N 2.91Å; D467-Q469 VanDerWaalsContact O-N 3.14Å; D467-Q469 PolarHBondContact O-NE2 3.35Å
470	F	88.7	Confident	91.5	Very high	25 Å²	25	49 Å²	49	11%	0.11	26%	0.257	C	S	.	.	S	Bend	trans	-102.5	136.5	-178.4	-57	-57.1	0	0	0	112.4	F462 L463 N466 G468 Q474 L475 M478 L510 Y574	F462-F470 HydrophobicContact CD1-CE2 4.4Å; F462-F470 HydrophobicContact CD1-CZ 4.49Å; F462-F470 AromaticContact CE1-CE2 3.74Å; F462-F470 HydrophobicContact CE1-CE2 3.74Å; F462-F470 AromaticContact CE1-CZ 3.47Å; F462-F470 HydrophobicContact CE1-CZ 3.47Å; F462-F470 VanDerWaalsContact CE1-CZ 3.47Å; F462-F470 HydrophobicContact CZ-CE1 4.43Å; F462-F470 HydrophobicContact CZ-CE2 4.21Å; F462-F470 AromaticContact CZ-CZ 3.52Å; F462-F470 HydrophobicContact CZ-CZ 3.52Å; L463-F470 HydrophobicContact CD2-CD2 4.14Å; L463-F470 HydrophobicContact CD2-CE2 4.27Å; N466-F470 HydrophobicContact CB-CE2 3.59Å; N466-F470 HydrophobicContact CB-CZ 3.75Å; G468-F470 PolarHBondContact O-N 3.08Å; F470-Q474 HydrophobicContact CB-CB 4.24Å; F470-L475 HydrophobicContact CB-CD2 3.89Å; F470-L475 HydrophobicContact CB-CG 4.06Å; F470-L475 HydrophobicContact CD2-CD2 4.1Å; F470-L475 HydrophobicContact CG-CD2 4.38Å; F470-M478 HydrophobicContact CD1-CE 4.39Å; F470-M478 HydrophobicContact CD2-CE 4.06Å; F470-M478 HydrophobicContact CE1-CE 4.39Å; F470-M478 HydrophobicContact CE2-CE 4.06Å; F470-M478 HydrophobicContact CG-CE 4.26Å; F470-M478 HydrophobicContact CZ-CE 4.25Å; F470-L510 HydrophobicContact CD1-CD1 4.36Å; F470-L510 HydrophobicContact CE1-CD1 4.02Å; F470-L510 HydrophobicContact CE1-CD2 4.21Å; F470-L510 HydrophobicContact CZ-CD2 4.39Å; F470-Y574 WeakPolarHBondContact CA-OH 2.97Å; F470-Y574 HydrophobicContact CB-CE1 4.49Å; F470-Y574 WeakPolarHBondContact CB-OH 3.44Å; F470-Y574 AromaticContact CD2-CE1 3.82Å; F470-Y574 HydrophobicContact CD2-CE1 3.82Å; F470-Y574 PolarHBondContact N-OH 2.89Å; F470-Y574 PolarHBondContact O-OH 3.28Å
471	T	92	Very high	91.7	Very high	76 Å²	76	48.2 Å²	48.2	47%	0.466	26%	0.255	S	S	.	.			trans	-65	150.2	166.6	63.2	0	0	0	0	110.3	I473 Q474 L475	T471-I473 PolarHBondContact O-N 3.23Å; T471-I473 VanDerWaalsContact O-N 3.11Å; T471-I473 VanDerWaalsContact OG1-CG2 3.23Å; T471-I473 WeakPolarHBondContact OG1-CG2 3.06Å; T471-Q474 WeakPolarHBondContact O-CB 3.44Å; T471-Q474 PolarHBondContact O-N 2.95Å; T471-Q474 WeakPolarHBondContact OG1-CG 3.24Å; T471-Q474 PolarHBondContact OG1-N 2.69Å; T471-Q474 PolarHBondContact OG1-OE1 3.42Å; T471-L475 PolarHBondContact O-N 2.8Å
472	V	90.2	Very high	92	Very high	51 Å²	51	46.1 Å²	46.1	31%	0.309	24%	0.24	S	C	.	.	H	α-helix	trans	-53	-36.1	177.4	176.4	0	0	0	0	111.8	Q474 L475 V476 M572 P604 L642	V472-Q474 VanDerWaalsContact C-N 3.35Å; V472-Q474 PolarHBondContact O-N 3.05Å; V472-L475 PolarHBondContact O-N 2.64Å; V472-V476 HydrophobicContact CG1-CG2 4.36Å; V472-V476 VanDerWaalsContact O-CG2 3.3Å; V472-V476 WeakPolarHBondContact O-CG2 3.49Å; V472-V476 PolarHBondContact O-N 2.94Å; V472-M572 HydrophobicContact CG1-CE 4.47Å; V472-P604 HydrophobicContact CG1-CG 3.62Å; V472-L642 HydrophobicContact CG1-CB 4.42Å; V472-L642 HydrophobicContact CG1-CD1 4.46Å
473	I	93.2	Very high	92.1	Very high	66 Å²	66	45.6 Å²	45.6	34%	0.338	24%	0.238	S	C	.	.	H	α-helix	trans	-68.1	-30.2	178.2	-171.6	63.1	0	0	0	113.1	T471 G477 I636 P639 L642	T471-I473 PolarHBondContact O-N 3.23Å; T471-I473 VanDerWaalsContact O-N 3.11Å; T471-I473 VanDerWaalsContact OG1-CG2 3.23Å; T471-I473 WeakPolarHBondContact OG1-CG2 3.06Å; I473-G477 PolarHBondContact O-N 3Å; I473-I636 HydrophobicContact CD1-CB 4.23Å; I473-I636 HydrophobicContact CD1-CG1 3.98Å; I473-I636 HydrophobicContact CD1-CG2 4.29Å; I473-P639 HydrophobicContact CD1-CG 4.49Å; I473-L642 HydrophobicContact CD1-CD1 4.1Å
474	Q	94.9	Very high	92.4	Very high	77 Å²	77	46 Å²	46	36%	0.36	24%	0.241	S	C	.	.	H	α-helix	trans	-70.6	-43	171.6	-72.3	162.7	-72.9	0	0	111.4	F470 T471 V472 V476 G477 M478	F470-Q474 HydrophobicContact CB-CB 4.24Å; T471-Q474 WeakPolarHBondContact O-CB 3.44Å; T471-Q474 PolarHBondContact O-N 2.95Å; T471-Q474 WeakPolarHBondContact OG1-CG 3.24Å; T471-Q474 PolarHBondContact OG1-N 2.69Å; T471-Q474 PolarHBondContact OG1-OE1 3.42Å; V472-Q474 VanDerWaalsContact C-N 3.35Å; V472-Q474 PolarHBondContact O-N 3.05Å; Q474-V476 PolarHBondContact O-N 3.13Å; Q474-G477 CarbonylContact O-C 3.57Å; Q474-G477 WeakPolarHBondContact O-CA 3.3Å; Q474-G477 PolarHBondContact O-N 2.93Å; Q474-M478 WeakPolarHBondContact O-CG 3.25Å; Q474-M478 PolarHBondContact O-N 2.78Å
475	L	96.2	Very high	92.8	Very high	4 Å²	4	40.2 Å²	40.2	2%	0.021	22%	0.219	C	C	.	.	H	α-helix	trans	-61.4	-42.6	175	-61.7	175.8	0	0	0	111.5	L463 F470 T471 V472 G477 M478 L479 V571 M572 Y574	L463-L475 HydrophobicContact CD2-CD2 3.84Å; F470-L475 HydrophobicContact CB-CD2 3.89Å; F470-L475 HydrophobicContact CB-CG 4.06Å; F470-L475 HydrophobicContact CD2-CD2 4.1Å; F470-L475 HydrophobicContact CG-CD2 4.38Å; T471-L475 PolarHBondContact O-N 2.8Å; V472-L475 PolarHBondContact O-N 2.64Å; L475-G477 VanDerWaalsContact C-N 3.29Å; L475-G477 PolarHBondContact O-N 2.69Å; L475-M478 HydrophobicContact CD2-SD 4.16Å; L475-M478 WeakPolarHBondContact O-CB 3.13Å; L475-M478 PolarHBondContact O-N 2.68Å; L475-L479 WeakPolarHBondContact O-CG 3.31Å; L475-L479 PolarHBondContact O-N 3.29Å; L475-V571 HydrophobicContact CB-CG1 4.08Å; L475-V571 HydrophobicContact CD2-CG1 3.94Å; L475-M572 HydrophobicContact CB-SD 4Å; L475-M572 HydrophobicContact CD1-CE 4.35Å; L475-M572 HydrophobicContact CD1-SD 4.09Å; L475-Y574 HydrophobicContact CD1-CE2 3.87Å
476	V	96.5	Very high	93.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-62.1	-36.4	171.8	173.9	0	0	0	0	111.5	V472 Q474 L479 R480 L607 L632 I636 L642	V472-V476 HydrophobicContact CG1-CG2 4.36Å; V472-V476 VanDerWaalsContact O-CG2 3.3Å; V472-V476 WeakPolarHBondContact O-CG2 3.49Å; V472-V476 PolarHBondContact O-N 2.94Å; Q474-V476 PolarHBondContact O-N 3.13Å; V476-L479 PolarHBondContact O-N 3.39Å; V476-R480 VanDerWaalsContact O-CB 3.24Å; V476-R480 WeakPolarHBondContact O-CB 3.33Å; V476-R480 PolarHBondContact O-N 3.45Å; V476-L607 HydrophobicContact CG2-CD1 3.52Å; V476-L607 HydrophobicContact CG2-CD2 4.07Å; V476-L607 HydrophobicContact CG2-CG 4.34Å; V476-L632 HydrophobicContact CG1-CD2 4.24Å; V476-I636 HydrophobicContact CG1-CD1 4.06Å; V476-I636 HydrophobicContact CG1-CG1 3.61Å; V476-L642 HydrophobicContact CG2-CD1 4.06Å; V476-L642 HydrophobicContact CG2-CD2 4.1Å
477	G	97.1	Very high	94	Very high	34 Å²	34	33.5 Å²	33.5	35%	0.351	19%	0.185	S	C	.	.	H	α-helix	trans	-60.9	-44.4	171.9	0	0	0	0	0	113.3	I473 Q474 L475 R480 G481	I473-G477 PolarHBondContact O-N 3Å; Q474-G477 CarbonylContact O-C 3.57Å; Q474-G477 WeakPolarHBondContact O-CA 3.3Å; Q474-G477 PolarHBondContact O-N 2.93Å; L475-G477 VanDerWaalsContact C-N 3.29Å; L475-G477 PolarHBondContact O-N 2.69Å; G477-R480 PolarHBondContact O-N 3.31Å; G477-G481 PolarHBondContact O-N 2.98Å
478	M	98.6	Very high	94.8	Very high	4 Å²	4	33.7 Å²	33.7	2%	0.02	18%	0.183	C	C	.	.	H	α-helix	trans	-59.5	-49.1	174	-65	175.4	-178.5	0	0	111	L459 F462 L463 F470 Q474 L475 R480 G481 I482 L510 C512	L459-M478 HydrophobicContact CD1-SD 3.99Å; F462-M478 HydrophobicContact CE1-CE 4.13Å; L463-M478 HydrophobicContact CD2-SD 4.43Å; F470-M478 HydrophobicContact CD1-CE 4.39Å; F470-M478 HydrophobicContact CD2-CE 4.06Å; F470-M478 HydrophobicContact CE1-CE 4.39Å; F470-M478 HydrophobicContact CE2-CE 4.06Å; F470-M478 HydrophobicContact CG-CE 4.26Å; F470-M478 HydrophobicContact CZ-CE 4.25Å; Q474-M478 WeakPolarHBondContact O-CG 3.25Å; Q474-M478 PolarHBondContact O-N 2.78Å; L475-M478 HydrophobicContact CD2-SD 4.16Å; L475-M478 WeakPolarHBondContact O-CB 3.13Å; L475-M478 PolarHBondContact O-N 2.68Å; M478-R480 VanDerWaalsContact C-N 3.34Å; M478-R480 PolarHBondContact O-N 3.2Å; M478-G481 PolarHBondContact O-N 2.97Å; M478-G481 VanDerWaalsContact O-N 3.15Å; M478-I482 WeakPolarHBondContact O-CG1 3.26Å; M478-I482 PolarHBondContact O-N 3.38Å; M478-L510 HydrophobicContact CE-CB 4.3Å; M478-L510 HydrophobicContact CE-CD1 4.41Å; M478-L510 HydrophobicContact CE-CD2 4.4Å; M478-C512 VanDerWaalsContact CB-SG 3.58Å
479	L	98.7	Very high	95.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-62.5	-37.7	177.9	-70.4	178.3	0	0	0	113.3	L475 V476 G481 I482 S483 Y564 M568 V571 M572 L632	L475-L479 WeakPolarHBondContact O-CG 3.31Å; L475-L479 PolarHBondContact O-N 3.29Å; V476-L479 PolarHBondContact O-N 3.39Å; L479-G481 VanDerWaalsContact C-N 3.35Å; L479-I482 HydrophobicContact CD2-CD1 4.43Å; L479-I482 PolarHBondContact O-N 2.88Å; L479-S483 WeakPolarHBondContact O-CB 3.29Å; L479-S483 PolarHBondContact O-N 2.93Å; L479-S483 PolarHBondContact O-OG 3.03Å; L479-Y564 PolarHBondContact O-OH 3.47Å; L479-M568 HydrophobicContact CD1-CB 4.37Å; L479-M568 HydrophobicContact CD1-CE 4.49Å; L479-M568 HydrophobicContact CD1-CG 4.14Å; L479-M568 HydrophobicContact CD2-CB 4.36Å; L479-M568 HydrophobicContact CD2-CG 3.98Å; L479-V571 HydrophobicContact CD1-CB 4.47Å; L479-V571 HydrophobicContact CD1-CG1 4.36Å; L479-V571 HydrophobicContact CD2-CB 3.81Å; L479-V571 HydrophobicContact CD2-CG1 4.15Å; L479-V571 HydrophobicContact CD2-CG2 3.71Å; L479-V571 HydrophobicContact CG-CB 4.17Å; L479-V571 HydrophobicContact CG-CG1 4Å; L479-V571 HydrophobicContact CG-CG2 4.44Å; L479-M572 HydrophobicContact CD1-CG 4.36Å; L479-L632 HydrophobicContact CB-CD1 4.34Å
480	R	98.5	Very high	96	Very high	80 Å²	80	27 Å²	27	30%	0.302	15%	0.146	S	C	.	.	H	α-helix	trans	-67.1	-35.9	174.5	-172.4	-88.9	-174.7	-141	-9.2	111.8	V476 G477 M478 S483 A484 L632 D633 I636	V476-R480 VanDerWaalsContact O-CB 3.24Å; V476-R480 WeakPolarHBondContact O-CB 3.33Å; V476-R480 PolarHBondContact O-N 3.45Å; G477-R480 PolarHBondContact O-N 3.31Å; M478-R480 VanDerWaalsContact C-N 3.34Å; M478-R480 PolarHBondContact O-N 3.2Å; R480-S483 WeakPolarHBondContact CA-OG 3.35Å; R480-S483 PolarHBondContact O-OG 3.07Å; R480-A484 WeakPolarHBondContact O-CB 3.35Å; R480-A484 PolarHBondContact O-N 3.27Å; R480-A484 VanDerWaalsContact O-N 3.07Å; R480-L632 HydrophobicContact CB-CB 4.14Å; R480-L632 HydrophobicContact CB-CD1 4.32Å; R480-L632 HydrophobicContact CG-CB 4.2Å; R480-D633 IonicContact CZ-OD1 2.74Å; R480-D633 IonicContact CZ-OD2 3.54Å; R480-D633 IonicContact NE-OD1 2.64Å; R480-D633 PolarHBondContact NE-OD1 2.97Å; R480-D633 IonicContact NE-OD2 3.2Å; R480-D633 IonicContact NH2-OD1 3.62Å; R480-D633 PolarHBondContact NH2-OD1 3.11Å; R480-D633 IonicContact NH2-OD2 3.52Å; R480-D633 PolarHBondContact NH2-OD2 3.33Å; R480-I636 HydrophobicContact CB-CD1 3.81Å; R480-I636 HydrophobicContact CG-CD1 3.79Å
481	G	97.8	Very high	96.1	Very high	6 Å²	6	30.3 Å²	30.3	6%	0.062	16%	0.162	C	C	.	.	H	α-helix	trans	-61.8	-53.5	171.2	0	0	0	0	0	112	N433 G477 M478 L479 S483 A484 G485	N433-G481 WeakPolarHBondContact CB-O 3.5Å; N433-G481 VanDerWaalsContact ND2-CA 3.3Å; N433-G481 WeakPolarHBondContact ND2-CA 3.19Å; G477-G481 PolarHBondContact O-N 2.98Å; M478-G481 PolarHBondContact O-N 2.97Å; M478-G481 VanDerWaalsContact O-N 3.15Å; L479-G481 VanDerWaalsContact C-N 3.35Å; G481-S483 PolarHBondContact O-N 3.31Å; G481-A484 WeakPolarHBondContact O-CB 3.49Å; G481-A484 PolarHBondContact O-N 2.97Å; G481-A484 VanDerWaalsContact O-N 3.16Å; G481-G485 PolarHBondContact O-N 3.28Å
482	I	98.8	Very high	95.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-59.1	-47.2	-179.2	-61.7	158.6	0	0	0	111.2	L459 M478 L479 A484 G485 M486 L499 I504 C512 V514 Y564 V567	L459-I482 HydrophobicContact CD2-CD1 3.67Å; M478-I482 WeakPolarHBondContact O-CG1 3.26Å; M478-I482 PolarHBondContact O-N 3.38Å; L479-I482 HydrophobicContact CD2-CD1 4.43Å; L479-I482 PolarHBondContact O-N 2.88Å; I482-A484 VanDerWaalsContact C-N 3.32Å; I482-A484 PolarHBondContact O-N 3.3Å; I482-G485 PolarHBondContact O-N 3.38Å; I482-G485 VanDerWaalsContact O-N 3.16Å; I482-M486 WeakPolarHBondContact O-CG 3.14Å; I482-M486 PolarHBondContact O-N 3.21Å; I482-L499 HydrophobicContact CG2-CD1 4.48Å; I482-I504 HydrophobicContact CD1-CG1 4.14Å; I482-I504 HydrophobicContact CD1-CG2 4.01Å; I482-I504 HydrophobicContact CG1-CD1 4.21Å; I482-I504 HydrophobicContact CG1-CG1 4.21Å; I482-I504 HydrophobicContact CG1-CG2 3.85Å; I482-I504 HydrophobicContact CG2-CD1 3.88Å; I482-I504 HydrophobicContact CG2-CG1 4.43Å; I482-C512 HydrophobicContact CD1-CB 4.23Å; I482-C512 HydrophobicContact CG1-CB 3.79Å; I482-V514 HydrophobicContact CG2-CG2 4.42Å; I482-Y564 HydrophobicContact CB-CE2 4.06Å; I482-Y564 HydrophobicContact CG2-CD2 3.88Å; I482-Y564 HydrophobicContact CG2-CE2 3.77Å; I482-V567 HydrophobicContact CD1-CG1 4.05Å
483	S	98.7	Very high	95.3	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-66.2	-30	178.1	50.5	0	0	0	0	113.4	L479 R480 G481 K487 Y564 V629 L632	L479-S483 WeakPolarHBondContact O-CB 3.29Å; L479-S483 PolarHBondContact O-N 2.93Å; L479-S483 PolarHBondContact O-OG 3.03Å; R480-S483 WeakPolarHBondContact CA-OG 3.35Å; R480-S483 PolarHBondContact O-OG 3.07Å; G481-S483 PolarHBondContact O-N 3.31Å; S483-K487 VanDerWaalsContact O-CB 3.29Å; S483-K487 WeakPolarHBondContact O-CB 3.38Å; S483-K487 PolarHBondContact O-N 3.3Å; S483-Y564 WeakPolarHBondContact CB-OH 3.49Å; S483-Y564 PolarHBondContact OG-OH 3.33Å; S483-V629 VanDerWaalsContact C-CG2 3.45Å; S483-V629 WeakPolarHBondContact O-CG2 3.21Å; S483-L632 WeakPolarHBondContact OG-CD1 3.44Å
484	A	98.6	Very high	95	Very high	7 Å²	7	27.1 Å²	27.1	6%	0.058	14%	0.141	C	C	.	.	H	α-helix	trans	-67.6	-40.1	171.1	0	0	0	0	0	112	H431 R480 G481 I482 K487 Y488 V629	H431-A484 VanDerWaalsContact CE1-C 3.42Å; H431-A484 PolarHBondContact CE1-O 3.5Å; H431-A484 VanDerWaalsContact CE1-O 3.32Å; R480-A484 WeakPolarHBondContact O-CB 3.35Å; R480-A484 PolarHBondContact O-N 3.27Å; R480-A484 VanDerWaalsContact O-N 3.07Å; G481-A484 WeakPolarHBondContact O-CB 3.49Å; G481-A484 PolarHBondContact O-N 2.97Å; G481-A484 VanDerWaalsContact O-N 3.16Å; I482-A484 VanDerWaalsContact C-N 3.32Å; I482-A484 PolarHBondContact O-N 3.3Å; A484-K487 PolarHBondContact O-N 2.94Å; A484-Y488 PolarHBondContact O-N 3.38Å; A484-Y488 VanDerWaalsContact O-N 3.13Å; A484-V629 HydrophobicContact CB-CG2 4.32Å
485	G	98.1	Very high	94.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-60.5	-48.5	171.3	0	0	0	0	0	112.2	G481 I482 K487 Y488 L489	G481-G485 PolarHBondContact O-N 3.28Å; I482-G485 PolarHBondContact O-N 3.38Å; I482-G485 VanDerWaalsContact O-N 3.16Å; G485-K487 VanDerWaalsContact C-N 3.35Å; G485-K487 PolarHBondContact O-N 3.18Å; G485-Y488 WeakPolarHBondContact O-CB 3.37Å; G485-Y488 PolarHBondContact O-N 2.79Å; G485-L489 PolarHBondContact O-N 2.93Å
486	M	98.5	Very high	94.5	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	13%	0.131	C	C	.	.	H	α-helix	trans	-67.8	-31.1	178.7	-67.1	-54.9	-51.6	0	0	113.8	I482 L489 S490 H496 L499 V514 D560 F625	I482-M486 WeakPolarHBondContact O-CG 3.14Å; I482-M486 PolarHBondContact O-N 3.21Å; M486-L489 HydrophobicContact CE-CD1 4.32Å; M486-L489 HydrophobicContact SD-CD1 3.87Å; M486-S490 WeakPolarHBondContact O-CB 3.36Å; M486-S490 PolarHBondContact O-N 3.46Å; M486-H496 HydrophobicContact CE-CB 3.91Å; M486-H496 HydrophobicContact SD-CB 4.42Å; M486-L499 HydrophobicContact CE-CD2 4.01Å; M486-L499 HydrophobicContact CG-CD1 4.28Å; M486-L499 HydrophobicContact CG-CD2 3.74Å; M486-L499 HydrophobicContact SD-CD1 3.85Å; M486-L499 HydrophobicContact SD-CD2 3.79Å; M486-L499 HydrophobicContact SD-CG 4.36Å; M486-V514 HydrophobicContact CG-CG2 4.24Å; M486-V514 HydrophobicContact SD-CG1 4.01Å; M486-V514 HydrophobicContact SD-CG2 4.04Å; M486-D560 HydrophobicContact CE-CB 3.81Å; M486-F625 HydrophobicContact CB-CD1 3.53Å; M486-F625 HydrophobicContact CB-CD2 3.87Å; M486-F625 HydrophobicContact CB-CE1 3.4Å; M486-F625 VanDerWaalsContact CB-CE1 3.4Å; M486-F625 HydrophobicContact CB-CE2 3.75Å; M486-F625 HydrophobicContact CB-CG 3.77Å; M486-F625 HydrophobicContact CB-CZ 3.52Å; M486-F625 HydrophobicContact CE-CE2 4Å; M486-F625 HydrophobicContact CE-CZ 4.01Å; M486-F625 HydrophobicContact CG-CE1 3.99Å; M486-F625 HydrophobicContact CG-CZ 4Å
487	K	98.1	Very high	94.2	Very high	60 Å²	60	28.6 Å²	28.6	26%	0.261	15%	0.146	S	C	.	.	H	α-helix	trans	-57.9	-51.6	168.5	-179.4	-170.8	175.8	-75.8	0	110.4	S483 A484 G485 S490 E491 F625 A626 V629	S483-K487 VanDerWaalsContact O-CB 3.29Å; S483-K487 WeakPolarHBondContact O-CB 3.38Å; S483-K487 PolarHBondContact O-N 3.3Å; A484-K487 PolarHBondContact O-N 2.94Å; G485-K487 VanDerWaalsContact C-N 3.35Å; G485-K487 PolarHBondContact O-N 3.18Å; K487-S490 PolarHBondContact O-N 2.93Å; K487-E491 WeakPolarHBondContact CE-OE1 3.4Å; K487-E491 IonicContact NZ-OE1 3.46Å; K487-E491 PolarHBondContact NZ-OE1 3.19Å; K487-E491 IonicContact NZ-OE2 2.68Å; K487-E491 PolarHBondContact NZ-OE2 2.89Å; K487-E491 WeakPolarHBondContact O-CG 3.13Å; K487-E491 PolarHBondContact O-N 3.46Å; K487-F625 VanDerWaalsContact CA-CB 3.49Å; K487-F625 HydrophobicContact CB-CB 3.81Å; K487-A626 HydrophobicContact CD-CB 4.25Å; K487-A626 HydrophobicContact CG-CB 4.35Å; K487-V629 HydrophobicContact CB-CG2 4.43Å; K487-V629 HydrophobicContact CD-CG2 4.48Å
488	Y	97.2	Very high	93.9	Very high	39 Å²	39	27.5 Å²	27.5	15%	0.153	13%	0.132	C	C	.	.	H	α-helix	trans	-59.6	-46.7	179.3	171.4	-95.1	0	0	0	112.1	F429 D430 H431 I434 A484 G485 S490 E491 M492	F429-Y488 WeakPolarHBondContact CA-OH 3.5Å; F429-Y488 HydrophobicContact CB-CE1 3.92Å; F429-Y488 AromaticContact CD1-CE1 3.92Å; F429-Y488 HydrophobicContact CD1-CE1 3.92Å; F429-Y488 HydrophobicContact CG-CE1 4.16Å; D430-Y488 PolarHBondContact N-OH 3.2Å; H431-Y488 HydrophobicContact CB-CD1 3.66Å; H431-Y488 HydrophobicContact CB-CD2 3.97Å; H431-Y488 HydrophobicContact CB-CE1 3.94Å; H431-Y488 HydrophobicContact CB-CE2 4.23Å; H431-Y488 HydrophobicContact CB-CG 3.67Å; H431-Y488 AromaticContact CD2-CG 3.95Å; H431-Y488 AromaticContact CG-CG 3.76Å; I434-Y488 HydrophobicContact CG1-CD1 3.96Å; I434-Y488 HydrophobicContact CG1-CE1 4.46Å; A484-Y488 PolarHBondContact O-N 3.38Å; A484-Y488 VanDerWaalsContact O-N 3.13Å; G485-Y488 WeakPolarHBondContact O-CB 3.37Å; G485-Y488 PolarHBondContact O-N 2.79Å; Y488-S490 VanDerWaalsContact C-N 3.34Å; Y488-S490 PolarHBondContact O-N 3.4Å; Y488-E491 PolarHBondContact O-N 3.49Å; Y488-E491 VanDerWaalsContact O-N 3.11Å; Y488-M492 HydrophobicContact CD1-CG 4.35Å; Y488-M492 HydrophobicContact CE1-CG 3.91Å; Y488-M492 HydrophobicContact CE2-CG 4.15Å; Y488-M492 HydrophobicContact CE2-SD 4.25Å; Y488-M492 WeakPolarHBondContact O-CG 3.36Å; Y488-M492 PolarHBondContact O-N 2.78Å
489	L	94	Very high	93.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-59.1	-44	176	-67.4	176	0	0	0	111.9	F429 I434 G485 M486 E491 M492 N493 Y494 V514 F517	F429-L489 HydrophobicContact CD1-CD2 4.11Å; F429-L489 HydrophobicContact CD2-CD2 3.74Å; F429-L489 HydrophobicContact CE1-CD2 3.92Å; F429-L489 HydrophobicContact CE2-CD2 3.5Å; F429-L489 HydrophobicContact CG-CD2 4.05Å; F429-L489 HydrophobicContact CZ-CD2 3.62Å; I434-L489 HydrophobicContact CD1-CD1 3.82Å; I434-L489 HydrophobicContact CD1-CD2 4.09Å; I434-L489 HydrophobicContact CD1-CG 3.77Å; G485-L489 PolarHBondContact O-N 2.93Å; M486-L489 HydrophobicContact CE-CD1 4.32Å; M486-L489 HydrophobicContact SD-CD1 3.87Å; L489-E491 VanDerWaalsContact C-N 3.29Å; L489-E491 PolarHBondContact O-N 2.81Å; L489-M492 CarbonylContact O-C 3.38Å; L489-M492 WeakPolarHBondContact O-CB 3.48Å; L489-M492 PolarHBondContact O-N 3.28Å; L489-N493 PolarHBondContact O-N 3.02Å; L489-Y494 CarbonylContact C-O 3.55Å; L489-Y494 HydrophobicContact CB-CD1 4.31Å; L489-Y494 HydrophobicContact CD1-CD1 4.25Å; L489-Y494 HydrophobicContact CD2-CD1 3.95Å; L489-Y494 HydrophobicContact CD2-CG 4.43Å; L489-Y494 HydrophobicContact CG-CD1 4.39Å; L489-Y494 PolarHBondContact O-N 2.82Å; L489-V514 HydrophobicContact CD1-CG1 4.31Å; L489-F517 HydrophobicContact CD1-CE1 3.97Å; L489-F517 HydrophobicContact CD1-CZ 4.46Å; L489-F517 HydrophobicContact CD2-CE1 4.13Å; L489-F517 HydrophobicContact CD2-CZ 4.45Å
490	S	91.9	Very high	93.7	Very high	36 Å²	36	27.3 Å²	27.3	25%	0.252	13%	0.131	S	C	.	.	H	α-helix	trans	-68.1	-25.3	176.8	-174.7	0	0	0	0	113.7	M486 K487 Y488 N493 S557	M486-S490 WeakPolarHBondContact O-CB 3.36Å; M486-S490 PolarHBondContact O-N 3.46Å; K487-S490 PolarHBondContact O-N 2.93Å; Y488-S490 VanDerWaalsContact C-N 3.34Å; Y488-S490 PolarHBondContact O-N 3.4Å; S490-N493 PolarHBondContact O-N 3.4Å; S490-S557 VanDerWaalsContact OG-CB 3.22Å; S490-S557 WeakPolarHBondContact OG-CB 3.44Å; S490-S557 PolarHBondContact OG-OG 3.26Å
491	E	89.8	Confident	93.6	Very high	95 Å²	95	23.5 Å²	23.5	44%	0.444	12%	0.116	S	C	.	.	H	α-helix	trans	-78.8	-29.6	173.7	-74.2	172.4	148.9	0	0	111.7	K487 Y488 L489 N493	K487-E491 WeakPolarHBondContact CE-OE1 3.4Å; K487-E491 IonicContact NZ-OE1 3.46Å; K487-E491 PolarHBondContact NZ-OE1 3.19Å; K487-E491 IonicContact NZ-OE2 2.68Å; K487-E491 PolarHBondContact NZ-OE2 2.89Å; K487-E491 WeakPolarHBondContact O-CG 3.13Å; K487-E491 PolarHBondContact O-N 3.46Å; Y488-E491 PolarHBondContact O-N 3.49Å; Y488-E491 VanDerWaalsContact O-N 3.11Å; L489-E491 VanDerWaalsContact C-N 3.29Å; L489-E491 PolarHBondContact O-N 2.81Å; E491-N493 PolarHBondContact O-N 2.83Å
492	M	84.9	Confident	93.5	Very high	13 Å²	13	27 Å²	27	6%	0.064	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-4.8	167.1	-64.7	-69.8	-65	0	0	113.2	K346 Y348 F429 Y488 L489 Y494	K346-M492 HydrophobicContact CB-CE 4.03Å; K346-M492 HydrophobicContact CB-SD 3.99Å; K346-M492 VanDerWaalsContact O-SD 3.38Å; Y348-M492 VanDerWaalsContact CB-O 3.3Å; Y348-M492 WeakPolarHBondContact CB-O 3.48Å; Y348-M492 PolarHBondContact N-O 3.06Å; F429-M492 HydrophobicContact CD1-CE 4.26Å; F429-M492 HydrophobicContact CD1-CG 4.4Å; F429-M492 HydrophobicContact CE1-CB 4.32Å; F429-M492 HydrophobicContact CE1-CE 4.34Å; F429-M492 HydrophobicContact CE1-CG 4.39Å; Y488-M492 HydrophobicContact CD1-CG 4.35Å; Y488-M492 HydrophobicContact CE1-CG 3.91Å; Y488-M492 HydrophobicContact CE2-CG 4.15Å; Y488-M492 HydrophobicContact CE2-SD 4.25Å; Y488-M492 WeakPolarHBondContact O-CG 3.36Å; Y488-M492 PolarHBondContact O-N 2.78Å; L489-M492 CarbonylContact O-C 3.38Å; L489-M492 WeakPolarHBondContact O-CB 3.48Å; L489-M492 PolarHBondContact O-N 3.28Å; M492-Y494 VanDerWaalsContact C-N 3.28Å; M492-Y494 PolarHBondContact O-N 3.23Å
493	N	82.1	Confident	93.4	Very high	107 Å²	107	27.7 Å²	27.7	57%	0.572	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	64	21.4	-169.6	-57	-78.8	0	0	0	115.3	L489 S490 E491	L489-N493 PolarHBondContact O-N 3.02Å; S490-N493 PolarHBondContact O-N 3.4Å; E491-N493 PolarHBondContact O-N 2.83Å
494	Y	86.6	Confident	93.4	Very high	7 Å²	7	27.7 Å²	27.7	3%	0.027	13%	0.131	C	C	.	.			trans	-86.3	145.2	173.4	-172.2	-96.3	0	0	0	111.7	Y348 I425 F429 L489 M492 F517 S520	Y348-Y494 AromaticContact CD1-CD2 3.89Å; Y348-Y494 HydrophobicContact CD1-CD2 3.89Å; Y348-Y494 AromaticContact CD2-CD2 3.71Å; Y348-Y494 HydrophobicContact CD2-CD2 3.71Å; Y348-Y494 HydrophobicContact CD2-CE2 4.33Å; Y348-Y494 AromaticContact CE1-CD2 3.79Å; Y348-Y494 HydrophobicContact CE1-CD2 3.79Å; Y348-Y494 HydrophobicContact CE1-CE2 4.17Å; Y348-Y494 AromaticContact CE2-CD2 3.6Å; Y348-Y494 HydrophobicContact CE2-CD2 3.6Å; Y348-Y494 AromaticContact CE2-CE2 3.77Å; Y348-Y494 HydrophobicContact CE2-CE2 3.77Å; Y348-Y494 AromaticContact CG-CD2 3.84Å; Y348-Y494 HydrophobicContact CG-CD2 3.84Å; Y348-Y494 AromaticContact CZ-CD2 3.63Å; Y348-Y494 AromaticContact CZ-CE2 3.66Å; I425-Y494 HydrophobicContact CG2-CE2 3.79Å; F429-Y494 HydrophobicContact CE2-CD1 4.37Å; F429-Y494 HydrophobicContact CE2-CD2 4.49Å; F429-Y494 HydrophobicContact CE2-CE1 4.49Å; F429-Y494 HydrophobicContact CE2-CG 4.36Å; F429-Y494 HydrophobicContact CZ-CD1 4.08Å; F429-Y494 AromaticContact CZ-CD2 3.77Å; F429-Y494 HydrophobicContact CZ-CD2 3.77Å; F429-Y494 HydrophobicContact CZ-CE2 4.26Å; F429-Y494 AromaticContact CZ-CG 3.65Å; F429-Y494 HydrophobicContact CZ-CG 3.65Å; L489-Y494 CarbonylContact C-O 3.55Å; L489-Y494 HydrophobicContact CB-CD1 4.31Å; L489-Y494 HydrophobicContact CD1-CD1 4.25Å; L489-Y494 HydrophobicContact CD2-CD1 3.95Å; L489-Y494 HydrophobicContact CD2-CG 4.43Å; L489-Y494 HydrophobicContact CG-CD1 4.39Å; L489-Y494 PolarHBondContact O-N 2.82Å; M492-Y494 VanDerWaalsContact C-N 3.28Å; M492-Y494 PolarHBondContact O-N 3.23Å; Y494-F517 AromaticContact CE1-CD1 3.61Å; Y494-F517 HydrophobicContact CE1-CD1 3.61Å; Y494-F517 AromaticContact CE1-CE1 3.88Å; Y494-F517 HydrophobicContact CE1-CE1 3.88Å; Y494-F517 AromaticContact CZ-CD1 3.77Å; Y494-F517 WeakPolarHBondContact OH-CD1 3.48Å; Y494-S520 WeakPolarHBondContact OH-CB 3.35Å; Y494-S520 PolarHBondContact OH-OG 2.89Å
495	V	88.3	Confident	93.3	Very high	27 Å²	27	29.5 Å²	29.5	16%	0.164	14%	0.14	C	C	.	.			trans	-125.7	122.3	178.5	-177.5	0	0	0	0	108.3	R497 F555 D560	V495-R497 HydrophobicContact CG1-CG 4.03Å; V495-F555 HydrophobicContact CG1-CB 4.18Å; V495-D560 WeakPolarHBondContact CA-OD2 3.48Å; V495-D560 WeakPolarHBondContact CG1-OD2 3.46Å
496	H	91.5	Very high	93.3	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.009	14%	0.14	C	C	.	.			trans	-77.6	-38.2	-169.1	-168	-65.2	0	0	0	113	M486 D498 L499 V514 S515 D516 F517 D560	M486-H496 HydrophobicContact CE-CB 3.91Å; M486-H496 HydrophobicContact SD-CB 4.42Å; H496-D498 PolarHBondContact CE1-O 3.35Å; H496-D498 PolarHBondContact ND1-N 3.06Å; H496-D498 PolarHBondContact ND1-O 2.87Å; H496-D498 PolarHBondContact O-N 3.45Å; H496-L499 PolarHBondContact ND1-N 3.13Å; H496-V514 WeakPolarHBondContact CD2-CG1 3.36Å; H496-V514 VanDerWaalsContact NE2-CG1 3.3Å; H496-V514 WeakPolarHBondContact NE2-CG1 3.35Å; H496-S515 PolarHBondContact CE1-O 2.91Å; H496-S515 VanDerWaalsContact CE1-O 3.27Å; H496-S515 PolarHBondContact NE2-O 3.45Å; H496-D516 PolarHBondContact CE1-O 2.98Å; H496-D516 PolarHBondContact NE2-O 3.11Å; H496-F517 AromaticContact CD2-CE1 3.98Å; H496-D560 PolarHBondContact N-OD2 3.38Å
497	R	90.1	Very high	93.2	Very high	83 Å²	83	30.7 Å²	30.7	31%	0.313	15%	0.146	S	C	.	.	S	Bend	trans	69.4	-35.4	176.6	-46	-178.4	-174.3	172.8	0.2	115.7	V495 S520 F555 D560	V495-R497 HydrophobicContact CG1-CG 4.03Å; R497-S520 PolarHBondContact NH1-O 3.24Å; R497-F555 HydrophobicContact CB-CD1 3.68Å; R497-F555 HydrophobicContact CB-CE1 3.87Å; R497-F555 HydrophobicContact CB-CG 4.33Å; R497-F555 HydrophobicContact CG-CB 4.03Å; R497-F555 HydrophobicContact CG-CD1 3.72Å; R497-F555 HydrophobicContact CG-CE1 4.35Å; R497-F555 HydrophobicContact CG-CG 3.9Å; R497-D560 PolarHBondContact N-OD1 3.4Å
498	D	90.4	Very high	93	Very high	11 Å²	11	30.8 Å²	30.8	6%	0.059	15%	0.154	C	C	.	.			trans	-121.1	59.4	172.7	-169.7	27.5	0	0	0	113	H496 A500 R502 N503 L519 P541	H496-D498 PolarHBondContact CE1-O 3.35Å; H496-D498 PolarHBondContact ND1-N 3.06Å; H496-D498 PolarHBondContact ND1-O 2.87Å; H496-D498 PolarHBondContact O-N 3.45Å; D498-A500 PolarHBondContact O-N 3.49Å; D498-R502 IonicContact OD1-CZ 3.16Å; D498-R502 IonicContact OD1-NH2 2.77Å; D498-R502 PolarHBondContact OD1-NH2 3.44Å; D498-R502 IonicContact OD2-CZ 2.73Å; D498-R502 IonicContact OD2-NE 2.68Å; D498-R502 IonicContact OD2-NH2 2.97Å; D498-R502 PolarHBondContact OD2-NH2 2.78Å; D498-N503 PolarHBondContact O-ND2 2.86Å; D498-N503 PolarHBondContact OD2-ND2 2.64Å; D498-L519 HydrophobicContact CB-CB 4.42Å; D498-L519 HydrophobicContact CB-CD1 4.48Å; D498-L519 WeakPolarHBondContact OD2-CD1 3.06Å; D498-P541 HydrophobicContact CB-CG 4.33Å; D498-P541 VanDerWaalsContact OD1-CG 3.24Å; D498-P541 WeakPolarHBondContact OD1-CG 3.36Å
499	L	96.3	Very high	92.8	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.178	C	C	.	.			trans	-80.9	109.6	172.3	178.3	65.3	0	0	0	110.5	I482 M486 H496 I504 V514 S563 Y564 V567	I482-L499 HydrophobicContact CG2-CD1 4.48Å; M486-L499 HydrophobicContact CE-CD2 4.01Å; M486-L499 HydrophobicContact CG-CD1 4.28Å; M486-L499 HydrophobicContact CG-CD2 3.74Å; M486-L499 HydrophobicContact SD-CD1 3.85Å; M486-L499 HydrophobicContact SD-CD2 3.79Å; M486-L499 HydrophobicContact SD-CG 4.36Å; H496-L499 PolarHBondContact ND1-N 3.13Å; L499-I504 HydrophobicContact CD1-CD1 3.85Å; L499-V514 HydrophobicContact CD1-CG1 4.3Å; L499-S563 WeakPolarHBondContact O-CB 3.45Å; L499-Y564 HydrophobicContact CD2-CD2 4.39Å; L499-V567 HydrophobicContact CG-CG2 4.19Å
500	A	96.9	Very high	92.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.19	C	C	.	.			trans	-145.9	157.7	178.8	0	0	0	0	0	110.5	D498 R502 N503 I504 W544	D498-A500 PolarHBondContact O-N 3.49Å; A500-R502 HydrophobicContact CB-CG 3.83Å; A500-R502 PolarHBondContact O-N 2.92Å; A500-R502 VanDerWaalsContact O-N 3.17Å; A500-N503 PolarHBondContact O-N 2.94Å; A500-I504 PolarHBondContact O-N 3.3Å; A500-W544 VanDerWaalsContact CB-CD1 3.5Å; A500-W544 HydrophobicContact CB-CD2 4.05Å; A500-W544 HydrophobicContact CB-CG 3.92Å
501	A	97.9	Very high	93.1	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-61.3	-28.5	-177.8	0	0	0	0	0	113.3	L459 D460 N503 I504 V567 E570	L459-A501 WeakPolarHBondContact CB-O 3.37Å; L459-A501 PolarHBondContact N-O 2.87Å; D460-A501 HydrophobicContact CB-CB 3.81Å; D460-A501 PolarHBondContact N-O 3.02Å; A501-N503 PolarHBondContact O-N 2.69Å; A501-I504 PolarHBondContact O-N 3.2Å; A501-V567 HydrophobicContact CB-CG1 4.49Å; A501-E570 HydrophobicContact CB-CB 3.92Å; A501-E570 VanDerWaalsContact CB-CD 3.46Å; A501-E570 HydrophobicContact CB-CG 4.32Å; A501-E570 WeakPolarHBondContact CB-OE2 3.48Å; A501-E570 PolarHBondContact N-OE2 3.38Å
502	R	95.3	Very high	93.5	Very high	80 Å²	80	33.3 Å²	33.3	30%	0.302	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-61.3	-26.3	171	58.6	166	-164.8	-75.8	-1.8	114.3	A458 D498 A500	A458-R502 WeakPolarHBondContact CB-O 3.48Å; D498-R502 IonicContact OD1-CZ 3.16Å; D498-R502 IonicContact OD1-NH2 2.77Å; D498-R502 PolarHBondContact OD1-NH2 3.44Å; D498-R502 IonicContact OD2-CZ 2.73Å; D498-R502 IonicContact OD2-NE 2.68Å; D498-R502 IonicContact OD2-NH2 2.97Å; D498-R502 PolarHBondContact OD2-NH2 2.78Å; A500-R502 HydrophobicContact CB-CG 3.83Å; A500-R502 PolarHBondContact O-N 2.92Å; A500-R502 VanDerWaalsContact O-N 3.17Å
503	N	95.9	Very high	94.2	Very high	13 Å²	13	33.4 Å²	33.4	7%	0.07	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-98.5	7.9	-179.5	-62.1	-4.7	0	0	0	111.7	D498 A500 A501 S515 D516	D498-N503 PolarHBondContact O-ND2 2.86Å; D498-N503 PolarHBondContact OD2-ND2 2.64Å; A500-N503 PolarHBondContact O-N 2.94Å; A501-N503 PolarHBondContact O-N 2.69Å; N503-S515 CarbonylContact O-C 3.57Å; N503-S515 WeakPolarHBondContact O-CA 3.38Å; N503-S515 PolarHBondContact O-N 3.32Å; N503-S515 PolarHBondContact O-OG 2.92Å; N503-D516 HydrophobicContact CB-CB 4.34Å
504	I	98.4	Very high	94.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	125.9	169.2	-54.8	-55.2	0	0	0	108.7	A458 L459 I482 L499 A500 A501 C512 K513 V514	A458-I504 CarbonylContact C-O 3.56Å; A458-I504 WeakPolarHBondContact CA-O 3.47Å; L459-I504 HydrophobicContact CB-CB 3.92Å; L459-I504 HydrophobicContact CB-CG2 4.06Å; L459-I504 WeakPolarHBondContact CB-O 3.39Å; L459-I504 HydrophobicContact CD2-CB 3.99Å; L459-I504 HydrophobicContact CD2-CG1 4.45Å; L459-I504 HydrophobicContact CD2-CG2 3.75Å; L459-I504 PolarHBondContact N-O 3.24Å; I482-I504 HydrophobicContact CD1-CG1 4.14Å; I482-I504 HydrophobicContact CD1-CG2 4.01Å; I482-I504 HydrophobicContact CG1-CD1 4.21Å; I482-I504 HydrophobicContact CG1-CG1 4.21Å; I482-I504 HydrophobicContact CG1-CG2 3.85Å; I482-I504 HydrophobicContact CG2-CD1 3.88Å; I482-I504 HydrophobicContact CG2-CG1 4.43Å; L499-I504 HydrophobicContact CD1-CD1 3.85Å; A500-I504 PolarHBondContact O-N 3.3Å; A501-I504 PolarHBondContact O-N 3.2Å; I504-C512 HydrophobicContact CG2-CB 3.71Å; I504-K513 CarbonylContact C-O 3.04Å; I504-K513 WeakPolarHBondContact CA-O 3.39Å; I504-V514 HydrophobicContact CD1-CB 4.21Å; I504-V514 HydrophobicContact CD1-CG1 4.29Å; I504-V514 HydrophobicContact CD1-CG2 3.95Å
505	L	97.9	Very high	95.3	Very high	45 Å²	45	28.6 Å²	28.6	24%	0.236	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	148.4	175.1	-66.8	172.6	0	0	0	111.5	I435 M454 G457 C512 K513	I435-L505 HydrophobicContact CD1-CD1 4Å; I435-L505 HydrophobicContact CG1-CD1 4.3Å; M454-L505 HydrophobicContact CB-CB 3.87Å; M454-L505 HydrophobicContact CB-CD1 4.43Å; M454-L505 VanDerWaalsContact CE-C 3.47Å; M454-L505 HydrophobicContact CE-CB 3.87Å; M454-L505 VanDerWaalsContact CE-O 3.25Å; M454-L505 WeakPolarHBondContact CE-O 3.35Å; M454-L505 HydrophobicContact CG-CB 3.79Å; M454-L505 HydrophobicContact CG-CD1 4.1Å; G457-L505 CarbonylContact O-C 3.56Å; G457-L505 WeakPolarHBondContact O-CA 3.17Å; L505-C512 CarbonylContact O-C 3.53Å; L505-C512 WeakPolarHBondContact O-CA 3.4Å; L505-K513 PolarHBondContact N-O 3Å; L505-K513 PolarHBondContact O-N 2.93Å
506	V	98.1	Very high	95.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	133	-177.9	-169.4	0	0	0	0	110.2	M454 N456 G457 L459 F462	M454-V506 CarbonylContact C-O 3.5Å; M454-V506 VanDerWaalsContact C-O 3.29Å; N456-V506 WeakPolarHBondContact CA-O 3.38Å; N456-V506 HydrophobicContact CB-CB 3.85Å; N456-V506 HydrophobicContact CB-CG1 3.99Å; N456-V506 WeakPolarHBondContact CB-O 3.44Å; N456-V506 PolarHBondContact N-O 2.84Å; G457-V506 PolarHBondContact O-N 3.41Å; L459-V506 HydrophobicContact CB-CG2 3.72Å; L459-V506 HydrophobicContact CD1-CG2 3.63Å; L459-V506 HydrophobicContact CG-CG2 4.24Å; F462-V506 HydrophobicContact CD1-CB 4.37Å; F462-V506 HydrophobicContact CD1-CG1 4.11Å; F462-V506 HydrophobicContact CD1-CG2 4.15Å; F462-V506 HydrophobicContact CE1-CG1 3.99Å; F462-V506 HydrophobicContact CZ-CG1 4.49Å
507	N	94.9	Very high	94.6	Very high	26 Å²	26	29.5 Å²	29.5	14%	0.139	15%	0.152	C	C	.	.			trans	-97	175.5	175	80.6	2	0	0	0	112.6	M454 E455 N456 N509 L510 V511	M454-N507 HydrophobicContact CE-CB 3.9Å; M454-N507 HydrophobicContact SD-CB 3.86Å; E455-N507 VanDerWaalsContact OE2-CA 3.28Å; E455-N507 WeakPolarHBondContact OE2-CA 3.49Å; E455-N507 VanDerWaalsContact OE2-CB 3.3Å; E455-N507 WeakPolarHBondContact OE2-CB 3.3Å; N456-N507 PolarHBondContact ND2-O 2.97Å; N507-N509 PolarHBondContact O-N 3.21Å; N507-N509 WeakPolarHBondContact OD1-CA 3.29Å; N507-N509 PolarHBondContact OD1-N 2.93Å; N507-L510 PolarHBondContact O-N 3.15Å; N507-L510 PolarHBondContact OD1-N 2.96Å; N507-V511 PolarHBondContact N-O 3.16Å; N507-V511 WeakPolarHBondContact OD1-CB 3.47Å; N507-V511 PolarHBondContact OD1-N 3.37Å
508	S	93.9	Very high	93.2	Very high	62 Å²	62	25.8 Å²	25.8	43%	0.434	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-21.8	178.3	49.8	0	0	0	0	114.8	E455	E455-S508 VanDerWaalsContact CD-CB 3.4Å; E455-S508 WeakPolarHBondContact OE1-CB 3.37Å; E455-S508 PolarHBondContact OE1-OG 3.01Å; E455-S508 PolarHBondContact OE2-N 3.42Å; E455-S508 PolarHBondContact OE2-OG 3.46Å
509	N	94.1	Very high	91.2	Very high	122 Å²	122	29 Å²	29	65%	0.652	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.5	17.4	179.3	-60.3	-84.2	0	0	0	112.6	N507 V511	N507-N509 PolarHBondContact O-N 3.21Å; N507-N509 WeakPolarHBondContact OD1-CA 3.29Å; N507-N509 PolarHBondContact OD1-N 2.93Å; N509-V511 HydrophobicContact CB-CG2 4.28Å; N509-V511 PolarHBondContact O-N 2.85Å
510	L	95.1	Very high	88.8	Confident	50 Å²	50	29.7 Å²	29.7	26%	0.262	16%	0.161	S	C	.	.			trans	59.9	18.4	-176.4	-50.2	179.8	0	0	0	114.6	F462 F470 M478 N507 C512	F462-L510 HydrophobicContact CE1-CD2 3.85Å; F462-L510 HydrophobicContact CZ-CD2 3.54Å; F470-L510 HydrophobicContact CD1-CD1 4.36Å; F470-L510 HydrophobicContact CE1-CD1 4.02Å; F470-L510 HydrophobicContact CE1-CD2 4.21Å; F470-L510 HydrophobicContact CZ-CD2 4.39Å; M478-L510 HydrophobicContact CE-CB 4.3Å; M478-L510 HydrophobicContact CE-CD1 4.41Å; M478-L510 HydrophobicContact CE-CD2 4.4Å; N507-L510 PolarHBondContact O-N 3.15Å; N507-L510 PolarHBondContact OD1-N 2.96Å; L510-C512 PolarHBondContact O-N 3.43Å
511	V	97.4	Very high	86.6	Confident	50 Å²	50	32.4 Å²	32.4	30%	0.303	17%	0.171	S	C	.	.			trans	-76.1	111.7	175.9	-175.7	0	0	0	0	108.9	N507 N509 K513	N507-V511 PolarHBondContact N-O 3.16Å; N507-V511 WeakPolarHBondContact OD1-CB 3.47Å; N507-V511 PolarHBondContact OD1-N 3.37Å; N509-V511 HydrophobicContact CB-CG2 4.28Å; N509-V511 PolarHBondContact O-N 2.85Å; V511-K513 HydrophobicContact CG1-CG 4.4Å
512	C	98.5	Very high	84.1	Confident	1 Å²	1	41.5 Å²	41.5	1%	0.007	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	135.8	172.4	-64.1	0	0	0	0	111.3	N433 M478 I482 I504 L505 L510	N433-C512 PolarHBondContact ND2-O 3.05Å; M478-C512 VanDerWaalsContact CB-SG 3.58Å; I482-C512 HydrophobicContact CD1-CB 4.23Å; I482-C512 HydrophobicContact CG1-CB 3.79Å; I504-C512 HydrophobicContact CG2-CB 3.71Å; L505-C512 CarbonylContact O-C 3.53Å; L505-C512 WeakPolarHBondContact O-CA 3.4Å; L510-C512 PolarHBondContact O-N 3.43Å
513	K	98.5	Very high	81.5	Confident	16 Å²	16	40.5 Å²	40.5	7%	0.07	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	137.3	177.4	-57.1	-168.4	176.1	-140.1	0	111.7	P432 N433 E452 M454 I504 L505 V511	P432-K513 WeakPolarHBondContact O-CE 3.26Å; P432-K513 PolarHBondContact O-NZ 3.4Å; P432-K513 VanDerWaalsContact O-NZ 3.12Å; N433-K513 CarbonylContact O-C 3.46Å; N433-K513 VanDerWaalsContact O-CA 3.31Å; N433-K513 WeakPolarHBondContact O-CA 3.41Å; E452-K513 VanDerWaalsContact OE1-CD 3.28Å; E452-K513 WeakPolarHBondContact OE1-CD 3.43Å; E452-K513 WeakPolarHBondContact OE1-CE 3.24Å; E452-K513 IonicContact OE1-NZ 2.7Å; E452-K513 PolarHBondContact OE1-NZ 3.16Å; E452-K513 IonicContact OE2-NZ 3.79Å; E452-K513 PolarHBondContact OE2-NZ 3.42Å; M454-K513 HydrophobicContact CE-CB 3.92Å; M454-K513 HydrophobicContact CE-CD 3.74Å; M454-K513 HydrophobicContact CE-CG 3.61Å; M454-K513 HydrophobicContact SD-CD 3.88Å; M454-K513 HydrophobicContact SD-CG 4.43Å; I504-K513 CarbonylContact C-O 3.04Å; I504-K513 WeakPolarHBondContact CA-O 3.39Å; L505-K513 PolarHBondContact N-O 3Å; L505-K513 PolarHBondContact O-N 2.93Å; V511-K513 HydrophobicContact CG1-CG 4.4Å
514	V	98	Very high	78.8	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	137.1	173.9	-170.4	0	0	0	0	109.6	N433 I434 I435 I482 M486 L489 H496 L499 I504	N433-V514 PolarHBondContact O-N 3.18Å; I434-V514 HydrophobicContact CD1-CB 3.81Å; I434-V514 HydrophobicContact CD1-CG2 4.09Å; I435-V514 WeakPolarHBondContact CG2-O 3.47Å; I435-V514 PolarHBondContact N-O 3.44Å; I482-V514 HydrophobicContact CG2-CG2 4.42Å; M486-V514 HydrophobicContact CG-CG2 4.24Å; M486-V514 HydrophobicContact SD-CG1 4.01Å; M486-V514 HydrophobicContact SD-CG2 4.04Å; L489-V514 HydrophobicContact CD1-CG1 4.31Å; H496-V514 WeakPolarHBondContact CD2-CG1 3.36Å; H496-V514 VanDerWaalsContact NE2-CG1 3.3Å; H496-V514 WeakPolarHBondContact NE2-CG1 3.35Å; L499-V514 HydrophobicContact CD1-CG1 4.3Å; I504-V514 HydrophobicContact CD1-CB 4.21Å; I504-V514 HydrophobicContact CD1-CG1 4.29Å; I504-V514 HydrophobicContact CD1-CG2 3.95Å
515	S	93.8	Very high	75.8	Confident	12 Å²	12	52.1 Å²	52.1	8%	0.084	26%	0.261	C	S	.	.			trans	-146	-171.1	-177.6	72.2	0	0	0	0	111.6	H496 N503	H496-S515 PolarHBondContact CE1-O 2.91Å; H496-S515 VanDerWaalsContact CE1-O 3.27Å; H496-S515 PolarHBondContact NE2-O 3.45Å; N503-S515 CarbonylContact O-C 3.57Å; N503-S515 WeakPolarHBondContact O-CA 3.38Å; N503-S515 PolarHBondContact O-N 3.32Å; N503-S515 PolarHBondContact O-OG 2.92Å
516	D	84.8	Confident	72.7	Confident	48 Å²	48	55.2 Å²	55.2	26%	0.257	28%	0.278	S	S	.	.			trans	49.9	78.3	-171.2	-163.3	2.8	0	0	0	114.7	H496 N503 G518	H496-D516 PolarHBondContact CE1-O 2.98Å; H496-D516 PolarHBondContact NE2-O 3.11Å; N503-D516 HydrophobicContact CB-CB 4.34Å; D516-G518 VanDerWaalsContact C-N 3.32Å; D516-G518 PolarHBondContact OD1-N 3.48Å
517	F	80.8	Confident	69.8	Low	1 Å²	1	62 Å²	62	0%	0.004	32%	0.319	C	S	.	.			trans	-86.9	-1.1	171.2	-58.9	-74.7	0	0	0	112.7	I425 M426 F429 I434 I435 L489 Y494 H496 L519 S520	I425-F517 HydrophobicContact CB-CB 4.33Å; I425-F517 HydrophobicContact CG2-CB 3.8Å; I425-F517 HydrophobicContact CG2-CD1 4.14Å; I425-F517 HydrophobicContact CG2-CG 3.97Å; M426-F517 HydrophobicContact CG-CD2 3.37Å; M426-F517 HydrophobicContact CG-CE2 3.82Å; M426-F517 HydrophobicContact CG-CG 4.37Å; M426-F517 HydrophobicContact SD-CD2 4.13Å; F429-F517 HydrophobicContact CD2-CE1 4.14Å; F429-F517 HydrophobicContact CD2-CE2 4.34Å; F429-F517 AromaticContact CD2-CZ 3.93Å; F429-F517 HydrophobicContact CD2-CZ 3.93Å; F429-F517 HydrophobicContact CE2-CD1 4.12Å; F429-F517 AromaticContact CE2-CE1 3.79Å; F429-F517 HydrophobicContact CE2-CE1 3.79Å; F429-F517 HydrophobicContact CE2-CZ 4.07Å; I434-F517 HydrophobicContact CG2-CE2 4.1Å; I434-F517 HydrophobicContact CG2-CZ 3.81Å; I435-F517 HydrophobicContact CG2-CE2 3.96Å; L489-F517 HydrophobicContact CD1-CE1 3.97Å; L489-F517 HydrophobicContact CD1-CZ 4.46Å; L489-F517 HydrophobicContact CD2-CE1 4.13Å; L489-F517 HydrophobicContact CD2-CZ 4.45Å; Y494-F517 AromaticContact CE1-CD1 3.61Å; Y494-F517 HydrophobicContact CE1-CD1 3.61Å; Y494-F517 AromaticContact CE1-CE1 3.88Å; Y494-F517 HydrophobicContact CE1-CE1 3.88Å; Y494-F517 AromaticContact CZ-CD1 3.77Å; Y494-F517 WeakPolarHBondContact OH-CD1 3.48Å; H496-F517 AromaticContact CD2-CE1 3.98Å; F517-L519 PolarHBondContact O-N 2.87Å; F517-S520 PolarHBondContact O-N 2.82Å; F517-S520 PolarHBondContact O-OG 2.71Å
518	G	60.3	Low	66.9	Low	5 Å²	5	65.9 Å²	65.9	5%	0.052	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-14	-177.9	0	0	0	0	0	113.8	D516 R521	D516-G518 VanDerWaalsContact C-N 3.32Å; D516-G518 PolarHBondContact OD1-N 3.48Å; G518-R521 PolarHBondContact O-NE 2.76Å; G518-R521 PolarHBondContact O-NH2 2.99Å; G518-R521 VanDerWaalsContact O-NH2 3.09Å
519	L	48.4	Very low	63.9	Low	77 Å²	77	67.9 Å²	67.9	40%	0.403	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	1.5	179.6	-65.5	177.9	0	0	0	114.4	D498 F517 R521	D498-L519 HydrophobicContact CB-CB 4.42Å; D498-L519 HydrophobicContact CB-CD1 4.48Å; D498-L519 WeakPolarHBondContact OD2-CD1 3.06Å; F517-L519 PolarHBondContact O-N 2.87Å; L519-R521 PolarHBondContact O-N 2.83Å; L519-R521 VanDerWaalsContact O-N 3.13Å
520	S	47	Very low	61	Low	15 Å²	15	67.8 Å²	67.8	11%	0.105	36%	0.361	C	S	.	.			trans	-70.7	-2.2	169.7	71.2	0	0	0	0	113.3	Y494 R497 F517	Y494-S520 WeakPolarHBondContact OH-CB 3.35Å; Y494-S520 PolarHBondContact OH-OG 2.89Å; R497-S520 PolarHBondContact NH1-O 3.24Å; F517-S520 PolarHBondContact O-N 2.82Å; F517-S520 PolarHBondContact O-OG 2.71Å
521	R	50.5	Low	57.8	Low	57 Å²	57	69.2 Å²	69.2	22%	0.215	38%	0.375	C	S	.	.			trans	-51	144.3	-177	-91.3	-179.4	-75	171.7	3.7	113.1	F352 E383 D418 G518 L519	F352-R521 HydrophobicContact CZ-CG 4.37Å; E383-R521 VanDerWaalsContact CD-NH2 3.32Å; E383-R521 IonicContact OE1-CZ 3.4Å; E383-R521 IonicContact OE1-NH1 2.87Å; E383-R521 PolarHBondContact OE1-NH1 2.77Å; E383-R521 IonicContact OE1-NH2 3.8Å; E383-R521 PolarHBondContact OE1-NH2 2.97Å; E383-R521 VanDerWaalsContact OE1-NH2 3.09Å; E383-R521 IonicContact OE2-CZ 3.24Å; E383-R521 IonicContact OE2-NH1 2.65Å; E383-R521 IonicContact OE2-NH2 2.69Å; E383-R521 PolarHBondContact OE2-NH2 3.47Å; D418-R521 IonicContact OD2-CZ 4Å; D418-R521 IonicContact OD2-NH1 3.97Å; D418-R521 PolarHBondContact OD2-NH1 3.26Å; G518-R521 PolarHBondContact O-NE 2.76Å; G518-R521 PolarHBondContact O-NH2 2.99Å; G518-R521 VanDerWaalsContact O-NH2 3.09Å; L519-R521 PolarHBondContact O-N 2.83Å; L519-R521 VanDerWaalsContact O-N 3.13Å
522	Y	44.9	Very low	54.8	Low	191 Å²	191	76.3 Å²	76.3	75%	0.749	40%	0.398	S	S	*	.			trans	-47	139.7	169.6	-159.1	-93.2	0	0	0	112.4	Q524	Y522-Q524 PolarHBondContact O-N 2.95Å; Y522-Q524 VanDerWaalsContact O-N 3.15Å
523	L	41.2	Very low	51.7	Low	59 Å²	59	81.1 Å²	81.1	31%	0.309	43%	0.427	S	S	.	.			trans	-77.3	99.2	172.8	-64.5	170.5	0	0	0	108.6	R553	L523-R553 HydrophobicContact CD1-CB 4.09Å; L523-R553 HydrophobicContact CD1-CG 3.86Å; L523-R553 VanDerWaalsContact CD2-NH1 3.32Å
524	Q	38.6	Very low	48.7	Very low	101 Å²	101	82.6 Å²	82.6	47%	0.472	44%	0.44	S	S	.	.			trans	-82.4	131.8	179.4	-166.2	146	67.7	0	0	110.2	Y522 D526	Y522-Q524 PolarHBondContact O-N 2.95Å; Y522-Q524 VanDerWaalsContact O-N 3.15Å; Q524-D526 PolarHBondContact O-N 2.84Å
525	E	34.8	Very low	45.7	Very low	156 Å²	156	88 Å²	88	73%	0.729	48%	0.477	S	S	*	.			trans	-77.2	49.6	-176.4	-63.3	-173.4	128.5	0	0	113.3	T527	E525-T527 VanDerWaalsContact C-N 3.3Å; E525-T527 PolarHBondContact O-N 3.02Å; E525-T527 PolarHBondContact O-OG1 2.92Å
526	D	33.6	Very low	43	Very low	111 Å²	111	91.9 Å²	91.9	59%	0.594	50%	0.496	S	S	*	.			trans	-73.2	84	174.5	-73	-29.8	0	0	0	109.7	Q524 S528	Q524-D526 PolarHBondContact O-N 2.84Å; D526-S528 PolarHBondContact O-N 2.92Å
527	T	36.3	Very low	40.7	Very low	141 Å²	141	90.6 Å²	90.6	87%	0.865	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	35.4	-168.1	38.9	0	0	0	0	114.9	E525	E525-T527 VanDerWaalsContact C-N 3.3Å; E525-T527 PolarHBondContact O-N 3.02Å; E525-T527 PolarHBondContact O-OG1 2.92Å
528	S	34.3	Very low	39.2	Very low	109 Å²	109	92.9 Å²	92.9	76%	0.762	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.2	3	-166.3	56.7	0	0	0	0	116.9	D526	D526-S528 PolarHBondContact O-N 2.92Å
529	D	31.9	Very low	39.2	Very low	103 Å²	103	101.6 Å²	101.6	55%	0.551	56%	0.555	S	S	*	*			trans	-121.5	115.4	175.1	-170.1	-10.2	0	0	0	111.1	S531	D529-S531 VanDerWaalsContact C-N 3.26Å; D529-S531 PolarHBondContact O-N 3.08Å; D529-S531 PolarHBondContact OD1-N 2.87Å
530	P	32	Very low	40.3	Very low	121 Å²	121	99.6 Å²	99.6	79%	0.786	54%	0.544	S	S	*	.			trans	-79.8	7.8	-173.5	32.9	-36.6	0	0	0	114.8	Y532	P530-Y532 VanDerWaalsContact C-N 3.28Å; P530-Y532 PolarHBondContact O-N 2.9Å
531	S	28.4	Very low	42.3	Very low	80 Å²	80	100.6 Å²	100.6	56%	0.559	55%	0.551	S	S	*	*	S	Bend	trans	-73	75.1	-179.1	84	0	0	0	0	113.4	D529	D529-S531 VanDerWaalsContact C-N 3.26Å; D529-S531 PolarHBondContact O-N 3.08Å; D529-S531 PolarHBondContact OD1-N 2.87Å
532	Y	35.3	Very low	44.1	Very low	199 Å²	199	98.8 Å²	98.8	78%	0.78	55%	0.546	S	S	*	.			trans	59.4	73.4	170.3	-126.5	-94	0	0	0	116.4	P530 S534	P530-Y532 VanDerWaalsContact C-N 3.28Å; P530-Y532 PolarHBondContact O-N 2.9Å; Y532-S534 PolarHBondContact O-N 2.82Å
533	T	33.4	Very low	46.5	Very low	101 Å²	101	90.3 Å²	90.3	62%	0.62	51%	0.512	S	S	*	.			trans	-61.8	114	163.1	48.6	0	0	0	0	111.7
534	S	34.9	Very low	49.1	Very low	48 Å²	48	89.2 Å²	89.2	34%	0.336	50%	0.504	S	S	.	.				-54.8	133.4	129.8	152.8	0	0	0	0	106.4	Y532 L536 G537 R553	Y532-S534 PolarHBondContact O-N 2.82Å; S534-L536 PolarHBondContact O-N 2.77Å; S534-G537 PolarHBondContact O-N 3.42Å; S534-G537 VanDerWaalsContact O-N 3.12Å; S534-R553 VanDerWaalsContact CB-NH2 3.28Å; S534-R553 PolarHBondContact OG-NE 3.42Å; S534-R553 PolarHBondContact OG-NH2 2.71Å
535	S	33.5	Very low	51.7	Low	112 Å²	112	84.5 Å²	84.5	78%	0.783	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	13.3	-161.7	46.8	0	0	0	0	117
536	L	37.2	Very low	54.6	Low	94 Å²	94	77 Å²	77	49%	0.492	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.6	17.8	-176.3	-63	169.2	0	0	0	112.7	S534 R553	S534-L536 PolarHBondContact O-N 2.77Å; L536-R553 HydrophobicContact CB-CG 4.22Å; L536-R553 HydrophobicContact CD1-CG 4.08Å
537	G	37.8	Very low	57.4	Low	21 Å²	21	72.2 Å²	72.2	22%	0.216	42%	0.422	C	S	.	.			trans	77.3	159.3	167.6	0	0	0	0	0	117.2	S534 R553	S534-G537 PolarHBondContact O-N 3.42Å; S534-G537 VanDerWaalsContact O-N 3.12Å; G537-R553 PolarHBondContact O-NH1 3.16Å; G537-R553 PolarHBondContact O-NH2 2.94Å
538	G	48.6	Very low	60	Low	49 Å²	49	66.4 Å²	66.4	51%	0.505	39%	0.385	S	S	.	.	S	Bend	trans	74.3	148.6	174.7	0	0	0	0	0	116.6	R553	G538-R553 PolarHBondContact O-NH2 3.22Å
539	K	60.4	Low	62.7	Low	188 Å²	188	61.2 Å²	61.2	82%	0.817	35%	0.349	S	S	*	.			trans	-78.1	133.8	-176	-66.2	176.7	178.8	174.4	0	111.6
540	I	72.6	Confident	65.3	Low	35 Å²	35	57.4 Å²	57.4	18%	0.179	33%	0.328	C	S	.	.			trans	-119.5	138.5	176.6	-76.1	-174.4	0	0	0	110.5	V542 T545 I550 R553 F555	I540-V542 HydrophobicContact CG2-CG2 4.48Å; I540-V542 PolarHBondContact O-N 2.81Å; I540-T545 HydrophobicContact CG2-CG2 3.81Å; I540-T545 VanDerWaalsContact CG2-OG1 3.26Å; I540-T545 WeakPolarHBondContact CG2-OG1 3.39Å; I540-I550 HydrophobicContact CG2-CG1 4.42Å; I540-R553 VanDerWaalsContact CD1-CZ 3.46Å; I540-F555 HydrophobicContact CD1-CZ 4.03Å; I540-F555 HydrophobicContact CG1-CZ 4.46Å
541	P	88	Confident	67.7	Low	37 Å²	37	54 Å²	54	24%	0.24	31%	0.31	C	S	.	.			trans	-78.6	63.7	176	34.2	-36.4	0	0	0	111.9	D498 R543 W544 T545	D498-P541 HydrophobicContact CB-CG 4.33Å; D498-P541 VanDerWaalsContact OD1-CG 3.24Å; D498-P541 WeakPolarHBondContact OD1-CG 3.36Å; P541-R543 PolarHBondContact O-N 2.97Å; P541-W544 HydrophobicContact CB-CE3 4.37Å; P541-W544 PolarHBondContact O-N 3.25Å; P541-T545 PolarHBondContact O-N 2.99Å; P541-T545 PolarHBondContact O-OG1 3.22Å
542	V	89.3	Confident	70.1	Confident	19 Å²	19	58.7 Å²	58.7	12%	0.115	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-32.8	-45.1	-167.8	176.6	0	0	0	0	116.3	I540 W544 T545 I550 N584 V587 I588	I540-V542 HydrophobicContact CG2-CG2 4.48Å; I540-V542 PolarHBondContact O-N 2.81Å; V542-W544 VanDerWaalsContact C-N 3.29Å; V542-W544 PolarHBondContact O-N 3.48Å; V542-T545 PolarHBondContact O-N 2.89Å; V542-I550 HydrophobicContact CG1-CD1 4.2Å; V542-N584 HydrophobicContact CB-CB 4.41Å; V542-N584 HydrophobicContact CG1-CB 4.31Å; V542-N584 HydrophobicContact CG2-CB 4.44Å; V542-V587 HydrophobicContact CG1-CG1 4.27Å; V542-I588 HydrophobicContact CG1-CD1 3.96Å; V542-I588 HydrophobicContact CG1-CG1 3.71Å
543	R	94.3	Very high	72.2	Confident	13 Å²	13	50.8 Å²	50.8	5%	0.049	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-22	-175.2	-66.7	158.2	-168.9	-90.8	-13.4	114.6	P541 P578 Y579 M582 N584 V587	P541-R543 PolarHBondContact O-N 2.97Å; R543-P578 HydrophobicContact CB-CB 4.41Å; R543-P578 PolarHBondContact NH1-O 3.07Å; R543-Y579 HydrophobicContact CB-CD2 4.37Å; R543-Y579 HydrophobicContact CG-CD2 4.36Å; R543-Y579 PolarHBondContact NH1-O 2.97Å; R543-M582 PolarHBondContact NH2-O 2.86Å; R543-N584 PolarHBondContact NE-OD1 3.35Å; R543-N584 PolarHBondContact NH2-OD1 3.42Å; R543-V587 HydrophobicContact CG-CG1 4.34Å; R543-V587 HydrophobicContact CG-CG2 4.36Å
544	W	96.3	Very high	74.4	Confident	35 Å²	35	51.3 Å²	51.3	13%	0.133	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-22.9	176	-69.2	-96.4	0	0	0	112.2	A500 P541 V542 S563 I566 E570 P578	A500-W544 VanDerWaalsContact CB-CD1 3.5Å; A500-W544 HydrophobicContact CB-CD2 4.05Å; A500-W544 HydrophobicContact CB-CG 3.92Å; P541-W544 HydrophobicContact CB-CE3 4.37Å; P541-W544 PolarHBondContact O-N 3.25Å; V542-W544 VanDerWaalsContact C-N 3.29Å; V542-W544 PolarHBondContact O-N 3.48Å; W544-S563 VanDerWaalsContact O-CA 3.26Å; W544-S563 WeakPolarHBondContact O-CA 3.47Å; W544-S563 WeakPolarHBondContact O-CB 3.4Å; W544-S563 PolarHBondContact O-OG 3.09Å; W544-S563 VanDerWaalsContact O-OG 3.06Å; W544-I566 VanDerWaalsContact CD1-CG2 3.43Å; W544-I566 HydrophobicContact CD2-CG2 4.47Å; W544-I566 HydrophobicContact CG-CG2 4.02Å; W544-E570 WeakPolarHBondContact CZ2-OE1 3.48Å; W544-E570 VanDerWaalsContact NE1-CD 3.29Å; W544-E570 PolarHBondContact NE1-OE2 3.44Å; W544-P578 HydrophobicContact CZ2-CG 3.98Å
545	T	93.7	Very high	76.8	Confident	2 Å²	2	51 Å²	51	1%	0.012	27%	0.272	C	S	.	.	S	Bend	trans	-81	140.4	-170.9	-48.9	0	0	0	0	112.8	I540 P541 V542 A549 I550 F555 W562	I540-T545 HydrophobicContact CG2-CG2 3.81Å; I540-T545 VanDerWaalsContact CG2-OG1 3.26Å; I540-T545 WeakPolarHBondContact CG2-OG1 3.39Å; P541-T545 PolarHBondContact O-N 2.99Å; P541-T545 PolarHBondContact O-OG1 3.22Å; V542-T545 PolarHBondContact O-N 2.89Å; T545-A549 HydrophobicContact CG2-CB 3.56Å; T545-I550 HydrophobicContact CG2-CG1 3.81Å; T545-I550 WeakPolarHBondContact O-CD1 3.5Å; T545-F555 HydrophobicContact CG2-CE1 3.99Å; T545-F555 HydrophobicContact CG2-CZ 4.38Å; T545-W562 PolarHBondContact O-NE1 3.43Å
546	A	95.3	Very high	79.4	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.246	C	C	.	.			trans	-68	153.4	177.4	0	0	0	0	0	113.3	E548 A549 I550 W562	A546-E548 VanDerWaalsContact C-N 3.32Å; A546-E548 WeakPolarHBondContact CB-OE2 3.44Å; A546-E548 PolarHBondContact O-N 2.88Å; A546-A549 HydrophobicContact CB-CB 4.43Å; A546-A549 PolarHBondContact O-N 3.01Å; A546-I550 PolarHBondContact O-N 2.72Å; A546-W562 HydrophobicContact CB-CB 3.74Å; A546-W562 HydrophobicContact CB-CD2 4.18Å; A546-W562 HydrophobicContact CB-CG 3.76Å
547	P	92.3	Very high	82.1	Confident	10 Å²	10	44.7 Å²	44.7	7%	0.065	23%	0.234	C	C	.	.	H	α-helix	trans	-54.3	-45	-177.8	-21.8	29.5	0	0	0	113	A549 I550 A551 W562 I591	P547-A549 VanDerWaalsContact C-N 3.25Å; P547-A549 PolarHBondContact O-N 2.93Å; P547-I550 PolarHBondContact O-N 2.99Å; P547-A551 WeakPolarHBondContact O-CB 3.42Å; P547-A551 PolarHBondContact O-N 2.92Å; P547-W562 HydrophobicContact CG-CE3 4.35Å; P547-W562 HydrophobicContact CG-CH2 3.68Å; P547-W562 HydrophobicContact CG-CZ2 4.1Å; P547-W562 HydrophobicContact CG-CZ3 3.8Å; P547-I591 HydrophobicContact CB-CG2 4.4Å; P547-I591 HydrophobicContact CG-CG2 3.69Å
548	E	91.2	Very high	84.9	Confident	19 Å²	19	44.8 Å²	44.8	9%	0.089	23%	0.233	C	C	.	.	H	α-helix	trans	-70.1	-21.9	-179.1	74.7	-78.9	-171.9	0	0	113.7	A546 Y552 R553 K554 R622	A546-E548 VanDerWaalsContact C-N 3.32Å; A546-E548 WeakPolarHBondContact CB-OE2 3.44Å; A546-E548 PolarHBondContact O-N 2.88Å; E548-Y552 HydrophobicContact CB-CD2 4.32Å; E548-Y552 CarbonylContact O-C 3.42Å; E548-Y552 WeakPolarHBondContact O-CA 3.43Å; E548-Y552 WeakPolarHBondContact O-CB 3.19Å; E548-Y552 PolarHBondContact O-N 3.18Å; E548-Y552 VanDerWaalsContact O-N 3.1Å; E548-R553 PolarHBondContact O-N 3.44Å; E548-K554 HydrophobicContact CG-CB 4.35Å; E548-K554 WeakPolarHBondContact O-CB 3.29Å; E548-K554 PolarHBondContact O-N 2.71Å; E548-K554 VanDerWaalsContact O-N 3.16Å; E548-R622 IonicContact OE1-CZ 3.86Å; E548-R622 IonicContact OE1-NH1 2.81Å; E548-R622 PolarHBondContact OE1-NH1 2.83Å; E548-R622 IonicContact OE1-NH2 3.9Å; E548-R622 IonicContact OE2-CZ 3.28Å; E548-R622 IonicContact OE2-NH1 3.59Å; E548-R622 PolarHBondContact OE2-NH1 3.15Å; E548-R622 IonicContact OE2-NH2 3.49Å; E548-R622 PolarHBondContact OE2-NH2 2.68Å
549	A	89.7	Confident	87.1	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-86.6	-28.3	175.9	0	0	0	0	0	112.1	T545 A546 P547 R553 F555	T545-A549 HydrophobicContact CG2-CB 3.56Å; A546-A549 HydrophobicContact CB-CB 4.43Å; A546-A549 PolarHBondContact O-N 3.01Å; P547-A549 VanDerWaalsContact C-N 3.25Å; P547-A549 PolarHBondContact O-N 2.93Å; A549-R553 VanDerWaalsContact O-CA 3.28Å; A549-R553 WeakPolarHBondContact O-CA 3.08Å; A549-R553 PolarHBondContact O-N 3.07Å; A549-F555 HydrophobicContact CB-CD1 3.83Å; A549-F555 HydrophobicContact CB-CE1 3.8Å; A549-F555 HydrophobicContact CB-CE2 4.49Å; A549-F555 HydrophobicContact CB-CG 4.22Å; A549-F555 HydrophobicContact CB-CZ 4.14Å
550	I	86.3	Confident	88.9	Confident	23 Å²	23	33.6 Å²	33.6	12%	0.118	17%	0.17	C	C	.	.	H	α-helix	trans	-71.3	-54.5	168.4	-62.3	168.9	0	0	0	110.3	I540 V542 T545 A546 P547 I588	I540-I550 HydrophobicContact CG2-CG1 4.42Å; V542-I550 HydrophobicContact CG1-CD1 4.2Å; T545-I550 HydrophobicContact CG2-CG1 3.81Å; T545-I550 WeakPolarHBondContact O-CD1 3.5Å; A546-I550 PolarHBondContact O-N 2.72Å; P547-I550 PolarHBondContact O-N 2.99Å; I550-I588 HydrophobicContact CD1-CG1 4.38Å; I550-I588 HydrophobicContact CG2-CD1 4.07Å; I550-I588 HydrophobicContact CG2-CG1 4.3Å
551	A	83.2	Confident	90.1	Very high	48 Å²	48	32.1 Å²	32.1	40%	0.397	16%	0.163	S	C	.	.	H	α-helix	trans	-74.9	-39.8	-171.6	0	0	0	0	0	113.8	P547	P547-A551 WeakPolarHBondContact O-CB 3.42Å; P547-A551 PolarHBondContact O-N 2.92Å
552	Y	79.8	Confident	90.6	Very high	179 Å²	179	30.3 Å²	30.3	70%	0.702	15%	0.151	S	C	*	.	H	α-helix	trans	-125.2	10.9	-170.3	-46.2	-68.3	0	0	0	113.8	E548 K554	E548-Y552 HydrophobicContact CB-CD2 4.32Å; E548-Y552 CarbonylContact O-C 3.42Å; E548-Y552 WeakPolarHBondContact O-CA 3.43Å; E548-Y552 WeakPolarHBondContact O-CB 3.19Å; E548-Y552 PolarHBondContact O-N 3.18Å; E548-Y552 VanDerWaalsContact O-N 3.1Å; Y552-K554 PolarHBondContact O-N 2.91Å
553	R	77.6	Confident	91.1	Very high	33 Å²	33	29.6 Å²	29.6	13%	0.125	15%	0.147	C	C	.	.			trans	51.5	25.3	-175.2	-54.7	-53.8	-176	111.1	-2.4	114.1	L523 S534 L536 G537 G538 I540 E548 A549 F555	L523-R553 HydrophobicContact CD1-CB 4.09Å; L523-R553 HydrophobicContact CD1-CG 3.86Å; L523-R553 VanDerWaalsContact CD2-NH1 3.32Å; S534-R553 VanDerWaalsContact CB-NH2 3.28Å; S534-R553 PolarHBondContact OG-NE 3.42Å; S534-R553 PolarHBondContact OG-NH2 2.71Å; L536-R553 HydrophobicContact CB-CG 4.22Å; L536-R553 HydrophobicContact CD1-CG 4.08Å; G537-R553 PolarHBondContact O-NH1 3.16Å; G537-R553 PolarHBondContact O-NH2 2.94Å; G538-R553 PolarHBondContact O-NH2 3.22Å; I540-R553 VanDerWaalsContact CD1-CZ 3.46Å; E548-R553 PolarHBondContact O-N 3.44Å; A549-R553 VanDerWaalsContact O-CA 3.28Å; A549-R553 WeakPolarHBondContact O-CA 3.08Å; A549-R553 PolarHBondContact O-N 3.07Å; R553-F555 VanDerWaalsContact C-N 3.34Å; R553-F555 VanDerWaalsContact O-CD2 3.24Å; R553-F555 WeakPolarHBondContact O-CD2 3.35Å; R553-F555 PolarHBondContact O-N 3.39Å
554	K	80.5	Confident	91.3	Very high	112 Å²	112	29 Å²	29	49%	0.487	14%	0.144	S	C	.	.			trans	-87.9	61.6	-169.6	-161.7	175	-172.2	170	0	113.3	E548 Y552	E548-K554 HydrophobicContact CG-CB 4.35Å; E548-K554 WeakPolarHBondContact O-CB 3.29Å; E548-K554 PolarHBondContact O-N 2.71Å; E548-K554 VanDerWaalsContact O-N 3.16Å; Y552-K554 PolarHBondContact O-N 2.91Å
555	F	85.3	Confident	91.4	Very high	43 Å²	43	27.3 Å²	27.3	19%	0.189	14%	0.138	C	C	.	.			trans	-64	131.2	178.1	-64	-86	0	0	0	112.5	V495 R497 I540 T545 A549 R553 S559	V495-F555 HydrophobicContact CG1-CB 4.18Å; R497-F555 HydrophobicContact CB-CD1 3.68Å; R497-F555 HydrophobicContact CB-CE1 3.87Å; R497-F555 HydrophobicContact CB-CG 4.33Å; R497-F555 HydrophobicContact CG-CB 4.03Å; R497-F555 HydrophobicContact CG-CD1 3.72Å; R497-F555 HydrophobicContact CG-CE1 4.35Å; R497-F555 HydrophobicContact CG-CG 3.9Å; I540-F555 HydrophobicContact CD1-CZ 4.03Å; I540-F555 HydrophobicContact CG1-CZ 4.46Å; T545-F555 HydrophobicContact CG2-CE1 3.99Å; T545-F555 HydrophobicContact CG2-CZ 4.38Å; A549-F555 HydrophobicContact CB-CD1 3.83Å; A549-F555 HydrophobicContact CB-CE1 3.8Å; A549-F555 HydrophobicContact CB-CE2 4.49Å; A549-F555 HydrophobicContact CB-CG 4.22Å; A549-F555 HydrophobicContact CB-CZ 4.14Å; R553-F555 VanDerWaalsContact C-N 3.34Å; R553-F555 VanDerWaalsContact O-CD2 3.24Å; R553-F555 WeakPolarHBondContact O-CD2 3.35Å; R553-F555 PolarHBondContact O-N 3.39Å; F555-S559 WeakPolarHBondContact CA-OG 3.46Å
556	T	88.3	Confident	91.6	Very high	40 Å²	40	27.2 Å²	27.2	25%	0.245	14%	0.138	C	C	.	.			trans	-151.3	174	172.4	62.7	0	0	0	0	110.2	A558 S559 D560	T556-A558 PolarHBondContact O-N 2.84Å; T556-A558 PolarHBondContact OG1-N 3.44Å; T556-S559 PolarHBondContact N-OG 2.89Å; T556-S559 PolarHBondContact O-N 2.9Å; T556-S559 PolarHBondContact O-OG 2.74Å; T556-D560 PolarHBondContact O-N 3.07Å; T556-D560 VanDerWaalsContact O-N 3.09Å
557	S	93.1	Very high	91.8	Very high	32 Å²	32	27.2 Å²	27.2	22%	0.224	14%	0.138	C	C	.	.	H	α-helix	trans	-53.9	-27	171.2	-37.1	0	0	0	0	113.3	S490 D560 V561	S490-S557 VanDerWaalsContact OG-CB 3.22Å; S490-S557 WeakPolarHBondContact OG-CB 3.44Å; S490-S557 PolarHBondContact OG-OG 3.26Å; S557-D560 PolarHBondContact O-N 3.36Å; S557-V561 WeakPolarHBondContact O-CG2 3.44Å; S557-V561 PolarHBondContact O-N 3.37Å
558	A	96.9	Very high	92.1	Very high	24 Å²	24	26.7 Å²	26.7	20%	0.198	14%	0.135	C	C	.	.	H	α-helix	trans	-75.9	-24.9	175.5	0	0	0	0	0	113.4	T556 W562 R619 R622	T556-A558 PolarHBondContact O-N 2.84Å; T556-A558 PolarHBondContact OG1-N 3.44Å; A558-W562 PolarHBondContact O-N 3.29Å; A558-R619 HydrophobicContact CB-CB 4.08Å; A558-R622 WeakPolarHBondContact O-CD 3.47Å; A558-R622 PolarHBondContact O-NH1 2.56Å
559	S	95.9	Very high	92.4	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.007	13%	0.132	C	C	.	.	H	α-helix	trans	-76	-35.5	167.1	65.4	0	0	0	0	111.1	F555 T556 V561 W562 S563	F555-S559 WeakPolarHBondContact CA-OG 3.46Å; T556-S559 PolarHBondContact N-OG 2.89Å; T556-S559 PolarHBondContact O-N 2.9Å; T556-S559 PolarHBondContact O-OG 2.74Å; S559-V561 VanDerWaalsContact C-N 3.29Å; S559-V561 PolarHBondContact O-N 2.9Å; S559-W562 WeakPolarHBondContact O-CB 3.37Å; S559-W562 PolarHBondContact O-N 3.42Å; S559-S563 PolarHBondContact O-N 2.96Å; S559-S563 VanDerWaalsContact O-N 3.15Å; S559-S563 PolarHBondContact O-OG 3.4Å
560	D	97.3	Very high	92.8	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-65.6	-31.3	172.5	-68.5	-14.3	0	0	0	112.2	M486 V495 H496 R497 T556 S557 S563 Y564 F625	M486-D560 HydrophobicContact CE-CB 3.81Å; V495-D560 WeakPolarHBondContact CA-OD2 3.48Å; V495-D560 WeakPolarHBondContact CG1-OD2 3.46Å; H496-D560 PolarHBondContact N-OD2 3.38Å; R497-D560 PolarHBondContact N-OD1 3.4Å; T556-D560 PolarHBondContact O-N 3.07Å; T556-D560 VanDerWaalsContact O-N 3.09Å; S557-D560 PolarHBondContact O-N 3.36Å; D560-S563 WeakPolarHBondContact O-CB 3.48Å; D560-S563 PolarHBondContact O-N 3.38Å; D560-Y564 WeakPolarHBondContact O-CB 3.44Å; D560-Y564 PolarHBondContact O-N 2.77Å; D560-F625 HydrophobicContact CB-CE2 4Å; D560-F625 HydrophobicContact CB-CZ 4.09Å
561	V	98.8	Very high	93.3	Very high	3 Å²	3	25.5 Å²	25.5	2%	0.018	13%	0.128	C	C	.	.	H	α-helix	trans	-62.3	-40.4	171.7	163.5	0	0	0	0	111.7	S557 S559 Y564 G565 C614 R622 P623 F625 I628	S557-V561 WeakPolarHBondContact O-CG2 3.44Å; S557-V561 PolarHBondContact O-N 3.37Å; S559-V561 VanDerWaalsContact C-N 3.29Å; S559-V561 PolarHBondContact O-N 2.9Å; V561-Y564 WeakPolarHBondContact O-CB 3.32Å; V561-Y564 PolarHBondContact O-N 3.35Å; V561-G565 PolarHBondContact O-N 3.09Å; V561-C614 HydrophobicContact CG1-CB 3.92Å; V561-C614 WeakPolarHBondContact O-CB 3.4Å; V561-R622 HydrophobicContact CG1-CB 3.93Å; V561-P623 WeakPolarHBondContact CG1-O 3.47Å; V561-P623 WeakPolarHBondContact CG2-O 3.3Å; V561-F625 HydrophobicContact CB-CZ 4.36Å; V561-F625 HydrophobicContact CG2-CD1 4.32Å; V561-F625 HydrophobicContact CG2-CD2 3.91Å; V561-F625 HydrophobicContact CG2-CE1 4.05Å; V561-F625 HydrophobicContact CG2-CE2 3.61Å; V561-F625 HydrophobicContact CG2-CG 4.25Å; V561-F625 HydrophobicContact CG2-CZ 3.68Å; V561-I628 HydrophobicContact CG1-CD1 4.12Å; V561-I628 HydrophobicContact CG2-CD1 4.15Å
562	W	98.6	Very high	93.8	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-61.6	-47.4	173.7	176.4	-72.5	0	0	0	110.9	T545 A546 P547 A558 S559 Y564 G565 I566 I591 W615	T545-W562 PolarHBondContact O-NE1 3.43Å; A546-W562 HydrophobicContact CB-CB 3.74Å; A546-W562 HydrophobicContact CB-CD2 4.18Å; A546-W562 HydrophobicContact CB-CG 3.76Å; P547-W562 HydrophobicContact CG-CE3 4.35Å; P547-W562 HydrophobicContact CG-CH2 3.68Å; P547-W562 HydrophobicContact CG-CZ2 4.1Å; P547-W562 HydrophobicContact CG-CZ3 3.8Å; A558-W562 PolarHBondContact O-N 3.29Å; S559-W562 WeakPolarHBondContact O-CB 3.37Å; S559-W562 PolarHBondContact O-N 3.42Å; W562-Y564 VanDerWaalsContact C-N 3.28Å; W562-Y564 PolarHBondContact O-N 3.22Å; W562-G565 WeakPolarHBondContact O-CA 3.45Å; W562-G565 PolarHBondContact O-N 2.93Å; W562-I566 PolarHBondContact O-N 3.38Å; W562-I566 VanDerWaalsContact O-N 3.16Å; W562-I591 HydrophobicContact CH2-CG2 3.81Å; W562-I591 HydrophobicContact CZ2-CD1 4.11Å; W562-I591 HydrophobicContact CZ2-CG1 4.25Å; W562-I591 HydrophobicContact CZ2-CG2 3.81Å; W562-W615 AromaticContact CD2-CD1 3.85Å; W562-W615 HydrophobicContact CE3-CB 4.09Å; W562-W615 HydrophobicContact CH2-CB 4.2Å; W562-W615 HydrophobicContact CZ3-CB 3.94Å; W562-W615 VanDerWaalsContact CZ3-O 3.24Å; W562-W615 WeakPolarHBondContact CZ3-O 3.42Å; W562-W615 PolarHBondContact O-NE1 2.98Å
563	S	98.5	Very high	94.2	Very high	3 Å²	3	15.8 Å²	15.8	2%	0.021	8%	0.082	C	C	.	.	H	α-helix	trans	-57.7	-41	174.8	-44.3	0	0	0	0	111.6	L499 W544 S559 D560 G565 I566 V567	L499-S563 WeakPolarHBondContact O-CB 3.45Å; W544-S563 VanDerWaalsContact O-CA 3.26Å; W544-S563 WeakPolarHBondContact O-CA 3.47Å; W544-S563 WeakPolarHBondContact O-CB 3.4Å; W544-S563 PolarHBondContact O-OG 3.09Å; W544-S563 VanDerWaalsContact O-OG 3.06Å; S559-S563 PolarHBondContact O-N 2.96Å; S559-S563 VanDerWaalsContact O-N 3.15Å; S559-S563 PolarHBondContact O-OG 3.4Å; D560-S563 WeakPolarHBondContact O-CB 3.48Å; D560-S563 PolarHBondContact O-N 3.38Å; S563-G565 PolarHBondContact O-N 3.39Å; S563-I566 WeakPolarHBondContact O-CA 3.48Å; S563-I566 WeakPolarHBondContact O-CB 3.29Å; S563-I566 PolarHBondContact O-N 3.5Å; S563-I566 VanDerWaalsContact O-N 3.09Å; S563-V567 PolarHBondContact O-N 2.87Å
564	Y	98.9	Very high	94.7	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-63.5	-37.2	174.4	178.1	-98.1	0	0	0	112.6	L479 I482 S483 L499 D560 V561 W562 I566 V567 M568 F625 I628 L632	L479-Y564 PolarHBondContact O-OH 3.47Å; I482-Y564 HydrophobicContact CB-CE2 4.06Å; I482-Y564 HydrophobicContact CG2-CD2 3.88Å; I482-Y564 HydrophobicContact CG2-CE2 3.77Å; S483-Y564 WeakPolarHBondContact CB-OH 3.49Å; S483-Y564 PolarHBondContact OG-OH 3.33Å; L499-Y564 HydrophobicContact CD2-CD2 4.39Å; D560-Y564 WeakPolarHBondContact O-CB 3.44Å; D560-Y564 PolarHBondContact O-N 2.77Å; V561-Y564 WeakPolarHBondContact O-CB 3.32Å; V561-Y564 PolarHBondContact O-N 3.35Å; W562-Y564 VanDerWaalsContact C-N 3.28Å; W562-Y564 PolarHBondContact O-N 3.22Å; Y564-I566 VanDerWaalsContact C-N 3.26Å; Y564-I566 PolarHBondContact O-N 2.91Å; Y564-V567 CarbonylContact O-C 3.53Å; Y564-V567 PolarHBondContact O-N 2.88Å; Y564-V567 VanDerWaalsContact O-N 3.13Å; Y564-M568 HydrophobicContact CD1-CG 4.02Å; Y564-M568 HydrophobicContact CD1-SD 4.05Å; Y564-M568 HydrophobicContact CE1-CG 3.49Å; Y564-M568 VanDerWaalsContact CE1-CG 3.49Å; Y564-M568 HydrophobicContact CE1-SD 3.46Å; Y564-M568 WeakPolarHBondContact CE1-SD 3.44Å; Y564-M568 WeakPolarHBondContact O-CG 3.48Å; Y564-M568 PolarHBondContact O-N 3.23Å; Y564-F625 HydrophobicContact CD1-CE1 4.2Å; Y564-F625 HydrophobicContact CD2-CE1 4.15Å; Y564-F625 AromaticContact CG-CE1 3.72Å; Y564-F625 HydrophobicContact CG-CE1 3.72Å; Y564-I628 HydrophobicContact CD1-CD1 4.01Å; Y564-I628 HydrophobicContact CD1-CG2 4.3Å; Y564-I628 HydrophobicContact CE1-CD1 4.29Å; Y564-I628 HydrophobicContact CE1-CG2 3.54Å; Y564-L632 VanDerWaalsContact OH-CD1 3.32Å; Y564-L632 WeakPolarHBondContact OH-CD1 3.4Å
565	G	98.6	Very high	95.1	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-59.3	-37.6	170.7	0	0	0	0	0	112.3	V561 W562 S563 M568 W569 W615	V561-G565 PolarHBondContact O-N 3.09Å; W562-G565 WeakPolarHBondContact O-CA 3.45Å; W562-G565 PolarHBondContact O-N 2.93Å; S563-G565 PolarHBondContact O-N 3.39Å; G565-M568 WeakPolarHBondContact O-CB 3.41Å; G565-M568 PolarHBondContact O-N 2.81Å; G565-W569 PolarHBondContact O-N 3.38Å; G565-W569 VanDerWaalsContact O-N 3.11Å; G565-W615 VanDerWaalsContact C-CZ2 3.5Å; G565-W615 WeakPolarHBondContact O-CZ2 3.3Å
566	I	98.5	Very high	95	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-67.8	-41.4	172.7	-56.1	-70	0	0	0	110.8	W544 W562 S563 Y564 M568 W569 E570 P578 Y579 L597 W615	W544-I566 VanDerWaalsContact CD1-CG2 3.43Å; W544-I566 HydrophobicContact CD2-CG2 4.47Å; W544-I566 HydrophobicContact CG-CG2 4.02Å; W562-I566 PolarHBondContact O-N 3.38Å; W562-I566 VanDerWaalsContact O-N 3.16Å; S563-I566 WeakPolarHBondContact O-CA 3.48Å; S563-I566 WeakPolarHBondContact O-CB 3.29Å; S563-I566 PolarHBondContact O-N 3.5Å; S563-I566 VanDerWaalsContact O-N 3.09Å; Y564-I566 VanDerWaalsContact C-N 3.26Å; Y564-I566 PolarHBondContact O-N 2.91Å; I566-M568 VanDerWaalsContact C-N 3.33Å; I566-M568 PolarHBondContact O-N 2.95Å; I566-W569 WeakPolarHBondContact O-CA 3.42Å; I566-W569 WeakPolarHBondContact O-CB 3.38Å; I566-W569 PolarHBondContact O-N 3.35Å; I566-W569 VanDerWaalsContact O-N 3.08Å; I566-E570 WeakPolarHBondContact O-CG 3.48Å; I566-E570 PolarHBondContact O-N 3.08Å; I566-P578 HydrophobicContact CG2-CB 3.96Å; I566-P578 HydrophobicContact CG2-CG 3.52Å; I566-Y579 HydrophobicContact CD1-CE2 4.08Å; I566-L597 HydrophobicContact CD1-CD1 3.96Å; I566-W615 HydrophobicContact CD1-CZ2 3.76Å; I566-W615 HydrophobicContact CG1-CZ2 4.48Å
567	V	98.8	Very high	94.8	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-62.4	-37.2	173.3	177.2	0	0	0	0	112.1	I482 L499 A501 S563 Y564 W569 E570 V571	I482-V567 HydrophobicContact CD1-CG1 4.05Å; L499-V567 HydrophobicContact CG-CG2 4.19Å; A501-V567 HydrophobicContact CB-CG1 4.49Å; S563-V567 PolarHBondContact O-N 2.87Å; Y564-V567 CarbonylContact O-C 3.53Å; Y564-V567 PolarHBondContact O-N 2.88Å; Y564-V567 VanDerWaalsContact O-N 3.13Å; V567-W569 VanDerWaalsContact C-N 3.29Å; V567-W569 PolarHBondContact O-N 2.89Å; V567-E570 PolarHBondContact O-N 3.4Å; V567-V571 HydrophobicContact CG1-CG2 4.31Å; V567-V571 WeakPolarHBondContact O-CG2 3.38Å; V567-V571 PolarHBondContact O-N 3.27Å
568	M	98.7	Very high	94.5	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-58.7	-42.3	171.2	-74.1	-174.3	66.1	0	0	111.7	L479 Y564 G565 I566 M572 L607 L610 M611	L479-M568 HydrophobicContact CD1-CB 4.37Å; L479-M568 HydrophobicContact CD1-CE 4.49Å; L479-M568 HydrophobicContact CD1-CG 4.14Å; L479-M568 HydrophobicContact CD2-CB 4.36Å; L479-M568 HydrophobicContact CD2-CG 3.98Å; Y564-M568 HydrophobicContact CD1-CG 4.02Å; Y564-M568 HydrophobicContact CD1-SD 4.05Å; Y564-M568 HydrophobicContact CE1-CG 3.49Å; Y564-M568 VanDerWaalsContact CE1-CG 3.49Å; Y564-M568 HydrophobicContact CE1-SD 3.46Å; Y564-M568 WeakPolarHBondContact CE1-SD 3.44Å; Y564-M568 WeakPolarHBondContact O-CG 3.48Å; Y564-M568 PolarHBondContact O-N 3.23Å; G565-M568 WeakPolarHBondContact O-CB 3.41Å; G565-M568 PolarHBondContact O-N 2.81Å; I566-M568 VanDerWaalsContact C-N 3.33Å; I566-M568 PolarHBondContact O-N 2.95Å; M568-M572 WeakPolarHBondContact O-CB 3.34Å; M568-M572 WeakPolarHBondContact O-CG 3.45Å; M568-M572 PolarHBondContact O-N 2.8Å; M568-M572 VanDerWaalsContact O-N 3.13Å; M568-L607 HydrophobicContact CE-CB 4.44Å; M568-L607 HydrophobicContact CE-CD2 4.21Å; M568-L607 WeakPolarHBondContact CE-O 3.49Å; M568-L610 HydrophobicContact CE-CB 4.01Å; M568-L610 HydrophobicContact CE-CD2 3.9Å; M568-L610 HydrophobicContact CE-CG 3.95Å; M568-L610 HydrophobicContact SD-CD2 4.23Å; M568-L610 HydrophobicContact SD-CG 4.04Å; M568-M611 HydrophobicContact CB-CE 4.07Å; M568-M611 HydrophobicContact CB-CG 3.75Å; M568-M611 HydrophobicContact CB-SD 4.48Å; M568-M611 HydrophobicContact CE-CE 4.46Å; M568-M611 HydrophobicContact CE-CG 3.97Å; M568-M611 WeakPolarHBondContact O-CE 3.43Å; M568-M611 HydrophobicContact SD-CG 4.27Å
569	W	97.4	Very high	93.7	Very high	11 Å²	11	14.2 Å²	14.2	4%	0.042	6%	0.061	C	C	.	.	H	α-helix	trans	-65.2	-49	175.6	-167.3	93.4	0	0	0	111.3	G565 I566 V567 V571 M572 S573 E576 P578 L597 P598 P600 M611 W615	G565-W569 PolarHBondContact O-N 3.38Å; G565-W569 VanDerWaalsContact O-N 3.11Å; I566-W569 WeakPolarHBondContact O-CA 3.42Å; I566-W569 WeakPolarHBondContact O-CB 3.38Å; I566-W569 PolarHBondContact O-N 3.35Å; I566-W569 VanDerWaalsContact O-N 3.08Å; V567-W569 VanDerWaalsContact C-N 3.29Å; V567-W569 PolarHBondContact O-N 2.89Å; W569-V571 VanDerWaalsContact C-N 3.34Å; W569-V571 PolarHBondContact O-N 3.36Å; W569-M572 PolarHBondContact O-N 3.13Å; W569-S573 WeakPolarHBondContact CZ3-OG 3.39Å; W569-S573 WeakPolarHBondContact O-CB 3.35Å; W569-S573 PolarHBondContact O-N 2.94Å; W569-S573 PolarHBondContact O-OG 3.39Å; W569-E576 HydrophobicContact CH2-CB 3.81Å; W569-E576 WeakPolarHBondContact CH2-OE2 3.32Å; W569-E576 HydrophobicContact CZ3-CB 3.77Å; W569-P578 HydrophobicContact CE3-CG 4.37Å; W569-L597 HydrophobicContact CB-CD1 4.39Å; W569-L597 HydrophobicContact CD2-CD1 3.85Å; W569-L597 HydrophobicContact CE3-CD1 4.31Å; W569-L597 HydrophobicContact CG-CB 4.32Å; W569-L597 HydrophobicContact CG-CD1 3.86Å; W569-P598 PolarHBondContact NE1-O 3.43Å; W569-P600 HydrophobicContact CD2-CG 4.28Å; W569-P600 HydrophobicContact CG-CG 3.97Å; W569-M611 HydrophobicContact CB-SD 4.15Å; W569-W615 HydrophobicContact CB-CH2 4.08Å; W569-W615 HydrophobicContact CB-CZ2 4.1Å; W569-W615 AromaticContact CD1-CH2 3.96Å; W569-W615 HydrophobicContact CG-CH2 4.28Å
570	E	97.8	Very high	91.8	Very high	5 Å²	5	20.3 Å²	20.3	2%	0.023	9%	0.085	C	C	.	.	H	α-helix	trans	-54.6	-44.1	175.8	-70.2	-179.4	104.6	0	0	112.5	A501 W544 I566 V567 S573 Y574 G575 P578	A501-E570 HydrophobicContact CB-CB 3.92Å; A501-E570 VanDerWaalsContact CB-CD 3.46Å; A501-E570 HydrophobicContact CB-CG 4.32Å; A501-E570 WeakPolarHBondContact CB-OE2 3.48Å; A501-E570 PolarHBondContact N-OE2 3.38Å; W544-E570 WeakPolarHBondContact CZ2-OE1 3.48Å; W544-E570 VanDerWaalsContact NE1-CD 3.29Å; W544-E570 PolarHBondContact NE1-OE2 3.44Å; I566-E570 WeakPolarHBondContact O-CG 3.48Å; I566-E570 PolarHBondContact O-N 3.08Å; V567-E570 PolarHBondContact O-N 3.4Å; E570-S573 PolarHBondContact O-N 3.16Å; E570-S573 PolarHBondContact O-OG 3.27Å; E570-Y574 PolarHBondContact O-N 3.09Å; E570-G575 PolarHBondContact O-N 2.85Å; E570-P578 HydrophobicContact CG-CG 3.93Å
571	V	97.3	Very high	90	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-68.5	-41.7	-179.9	174	0	0	0	0	111.7	L459 L463 L475 L479 V567 W569 S573 Y574	L459-V571 HydrophobicContact CD2-CG2 3.77Å; L459-V571 HydrophobicContact CG-CG2 4.45Å; L463-V571 HydrophobicContact CD1-CB 4.31Å; L463-V571 HydrophobicContact CD1-CG1 4.46Å; L463-V571 HydrophobicContact CD1-CG2 4.1Å; L475-V571 HydrophobicContact CB-CG1 4.08Å; L475-V571 HydrophobicContact CD2-CG1 3.94Å; L479-V571 HydrophobicContact CD1-CB 4.47Å; L479-V571 HydrophobicContact CD1-CG1 4.36Å; L479-V571 HydrophobicContact CD2-CB 3.81Å; L479-V571 HydrophobicContact CD2-CG1 4.15Å; L479-V571 HydrophobicContact CD2-CG2 3.71Å; L479-V571 HydrophobicContact CG-CB 4.17Å; L479-V571 HydrophobicContact CG-CG1 4Å; L479-V571 HydrophobicContact CG-CG2 4.44Å; V567-V571 HydrophobicContact CG1-CG2 4.31Å; V567-V571 WeakPolarHBondContact O-CG2 3.38Å; V567-V571 PolarHBondContact O-N 3.27Å; W569-V571 VanDerWaalsContact C-N 3.34Å; W569-V571 PolarHBondContact O-N 3.36Å; V571-S573 VanDerWaalsContact C-N 3.31Å; V571-S573 PolarHBondContact O-N 3.04Å; V571-Y574 PolarHBondContact O-N 3.33Å
572	M	94	Very high	88.5	Confident	10 Å²	10	26.1 Å²	26.1	5%	0.049	12%	0.115	C	C	.	.	H	α-helix	trans	-77.5	-15.2	-180	-66.7	-56.8	-54	0	0	113.4	V472 L475 L479 M568 W569 P600 C603 L607 M611	V472-M572 HydrophobicContact CG1-CE 4.47Å; L475-M572 HydrophobicContact CB-SD 4Å; L475-M572 HydrophobicContact CD1-CE 4.35Å; L475-M572 HydrophobicContact CD1-SD 4.09Å; L479-M572 HydrophobicContact CD1-CG 4.36Å; M568-M572 WeakPolarHBondContact O-CB 3.34Å; M568-M572 WeakPolarHBondContact O-CG 3.45Å; M568-M572 PolarHBondContact O-N 2.8Å; M568-M572 VanDerWaalsContact O-N 3.13Å; W569-M572 PolarHBondContact O-N 3.13Å; M572-P600 HydrophobicContact CB-CB 3.93Å; M572-P600 HydrophobicContact CB-CG 3.88Å; M572-P600 WeakPolarHBondContact O-CB 3.47Å; M572-C603 HydrophobicContact CE-CB 4.38Å; M572-L607 HydrophobicContact CE-CD1 4.09Å; M572-L607 HydrophobicContact CG-CD1 4.44Å; M572-L607 HydrophobicContact SD-CD1 3.82Å; M572-M611 HydrophobicContact CB-CE 4.02Å; M572-M611 HydrophobicContact CG-CE 3.82Å
573	S	87.4	Confident	87.4	Confident	14 Å²	14	28.8 Å²	28.8	10%	0.098	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	12.1	170.8	67.9	0	0	0	0	113.8	W569 E570 V571 G575 E576	W569-S573 WeakPolarHBondContact CZ3-OG 3.39Å; W569-S573 WeakPolarHBondContact O-CB 3.35Å; W569-S573 PolarHBondContact O-N 2.94Å; W569-S573 PolarHBondContact O-OG 3.39Å; E570-S573 PolarHBondContact O-N 3.16Å; E570-S573 PolarHBondContact O-OG 3.27Å; V571-S573 VanDerWaalsContact C-N 3.31Å; V571-S573 PolarHBondContact O-N 3.04Å; S573-G575 PolarHBondContact O-N 3.47Å; S573-E576 PolarHBondContact O-N 2.77Å
574	Y	88.7	Confident	86.6	Confident	25 Å²	25	32.3 Å²	32.3	10%	0.098	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	31	-178.8	-79.6	-94.6	0	0	0	114.8	L463 R464 N466 G468 F470 L475 E570 V571	L463-Y574 CarbonylContact C-O 3.57Å; L463-Y574 HydrophobicContact CB-CD1 4.32Å; L463-Y574 HydrophobicContact CD2-CD1 3.96Å; L463-Y574 HydrophobicContact CD2-CE1 4.29Å; R464-Y574 WeakPolarHBondContact CG-O 3.39Å; R464-Y574 PolarHBondContact N-O 3.46Å; N466-Y574 VanDerWaalsContact O-CE1 3.25Å; N466-Y574 WeakPolarHBondContact O-CE1 3.39Å; G468-Y574 VanDerWaalsContact N-CE1 3.35Å; F470-Y574 WeakPolarHBondContact CA-OH 2.97Å; F470-Y574 HydrophobicContact CB-CE1 4.49Å; F470-Y574 WeakPolarHBondContact CB-OH 3.44Å; F470-Y574 AromaticContact CD2-CE1 3.82Å; F470-Y574 HydrophobicContact CD2-CE1 3.82Å; F470-Y574 PolarHBondContact N-OH 2.89Å; F470-Y574 PolarHBondContact O-OH 3.28Å; L475-Y574 HydrophobicContact CD1-CE2 3.87Å; E570-Y574 PolarHBondContact O-N 3.09Å; V571-Y574 PolarHBondContact O-N 3.33Å
575	G	88.3	Confident	85.7	Confident	2 Å²	2	36.2 Å²	36.2	2%	0.021	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.9	24.5	175.4	0	0	0	0	0	115	R464 E570 S573	R464-G575 WeakPolarHBondContact CD-O 3.35Å; R464-G575 PolarHBondContact NH1-O 3.25Å; E570-G575 PolarHBondContact O-N 2.85Å; S573-G575 PolarHBondContact O-N 3.47Å
576	E	84.1	Confident	84.6	Confident	74 Å²	74	39.7 Å²	39.7	35%	0.346	19%	0.189	S	C	.	.	P	Polyproline II helix	trans	-56.9	150.5	163	-75.5	-176.5	-165.8	0	0	111.2	W569 S573 P578	W569-E576 HydrophobicContact CH2-CB 3.81Å; W569-E576 WeakPolarHBondContact CH2-OE2 3.32Å; W569-E576 HydrophobicContact CZ3-CB 3.77Å; S573-E576 PolarHBondContact O-N 2.77Å; E576-P578 WeakPolarHBondContact O-CD 3.25Å
577	R	84.2	Confident	83.7	Confident	145 Å²	145	39.7 Å²	39.7	55%	0.547	19%	0.189	S	C	.	.	P	Polyproline II helix	trans	-74.3	124.8	176.7	169.8	175.1	166.5	169.3	-8	110.7	Y579 W580	R577-Y579 PolarHBondContact O-N 3.25Å; R577-W580 HydrophobicContact CB-CB 4.16Å; R577-W580 HydrophobicContact CG-CB 4.26Å; R577-W580 WeakPolarHBondContact O-CB 3.43Å; R577-W580 PolarHBondContact O-N 2.78Å
578	P	86.3	Confident	83	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	131.9	172.9	-26.3	35.7	0	0	0	112.4	R543 W544 I566 W569 E570 E576 W580 L597	R543-P578 HydrophobicContact CB-CB 4.41Å; R543-P578 PolarHBondContact NH1-O 3.07Å; W544-P578 HydrophobicContact CZ2-CG 3.98Å; I566-P578 HydrophobicContact CG2-CB 3.96Å; I566-P578 HydrophobicContact CG2-CG 3.52Å; W569-P578 HydrophobicContact CE3-CG 4.37Å; E570-P578 HydrophobicContact CG-CG 3.93Å; E576-P578 WeakPolarHBondContact O-CD 3.25Å; P578-W580 PolarHBondContact O-N 3Å; P578-L597 HydrophobicContact CB-CD1 4.19Å
579	Y	79.3	Confident	82.1	Confident	4 Å²	4	45 Å²	45	2%	0.016	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	43.4	-179.8	-48.6	-89	0	0	0	113.7	R543 I566 R577 D581 M582 V587 I591 Y595 L597	R543-Y579 HydrophobicContact CB-CD2 4.37Å; R543-Y579 HydrophobicContact CG-CD2 4.36Å; R543-Y579 PolarHBondContact NH1-O 2.97Å; I566-Y579 HydrophobicContact CD1-CE2 4.08Å; R577-Y579 PolarHBondContact O-N 3.25Å; Y579-D581 VanDerWaalsContact C-N 3.31Å; Y579-D581 PolarHBondContact O-N 3.26Å; Y579-M582 HydrophobicContact CD1-SD 3.82Å; Y579-M582 HydrophobicContact CG-SD 4.35Å; Y579-M582 PolarHBondContact O-N 3Å; Y579-V587 VanDerWaalsContact CB-CG2 3.43Å; Y579-V587 HydrophobicContact CD1-CG2 4.3Å; Y579-V587 HydrophobicContact CD2-CG1 4.01Å; Y579-V587 HydrophobicContact CD2-CG2 4.14Å; Y579-V587 HydrophobicContact CE2-CG1 4.2Å; Y579-V587 HydrophobicContact CG-CG1 4.26Å; Y579-V587 HydrophobicContact CG-CG2 3.74Å; Y579-I591 HydrophobicContact CE2-CD1 4.48Å; Y579-Y595 HydrophobicContact CD1-CD1 4.49Å; Y579-Y595 HydrophobicContact CD1-CE1 4.06Å; Y579-Y595 HydrophobicContact CE1-CD1 4.13Å; Y579-Y595 AromaticContact CE1-CE1 3.97Å; Y579-Y595 HydrophobicContact CE1-CE1 3.97Å; Y579-L597 HydrophobicContact CD1-CD2 3.56Å; Y579-L597 HydrophobicContact CD1-CG 4.19Å; Y579-L597 HydrophobicContact CD2-CD1 4.37Å; Y579-L597 HydrophobicContact CD2-CD2 4.18Å; Y579-L597 HydrophobicContact CD2-CG 4.48Å; Y579-L597 HydrophobicContact CE1-CD2 3.64Å; Y579-L597 HydrophobicContact CE1-CG 3.73Å; Y579-L597 HydrophobicContact CE2-CD1 3.94Å; Y579-L597 HydrophobicContact CE2-CD2 4.25Å; Y579-L597 HydrophobicContact CE2-CG 4.07Å; Y579-L597 HydrophobicContact CG-CD2 3.84Å
580	W	55.7	Low	81.2	Confident	130 Å²	130	45.1 Å²	45.1	49%	0.492	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-33.4	-165.4	48.5	-97	0	0	0	116	R577 P578 K678	R577-W580 HydrophobicContact CB-CB 4.16Å; R577-W580 HydrophobicContact CG-CB 4.26Å; R577-W580 WeakPolarHBondContact O-CB 3.43Å; R577-W580 PolarHBondContact O-N 2.78Å; P578-W580 PolarHBondContact O-N 3Å; W580-K678 HydrophobicContact CH2-CD 4.01Å; W580-K678 HydrophobicContact CZ2-CD 4.13Å
581	D	59.9	Low	80.6	Confident	89 Å²	89	45 Å²	45	48%	0.476	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-3.7	179.5	39.3	3.7	0	0	0	114.6	Y579 K678	Y579-D581 VanDerWaalsContact C-N 3.31Å; Y579-D581 PolarHBondContact O-N 3.26Å; D581-K678 IonicContact OD2-NZ 2.75Å; D581-K678 PolarHBondContact OD2-NZ 3.4Å
582	M	67	Low	80	Confident	37 Å²	37	49.2 Å²	49.2	18%	0.182	24%	0.239	C	C	.	.	S	Bend	trans	-108.8	145.6	-170.4	-59.5	173.3	70.3	0	0	112.2	R543 Y579 D586 V587 A590 Y595	R543-M582 PolarHBondContact NH2-O 2.86Å; Y579-M582 HydrophobicContact CD1-SD 3.82Å; Y579-M582 HydrophobicContact CG-SD 4.35Å; Y579-M582 PolarHBondContact O-N 3Å; M582-D586 HydrophobicContact CB-CB 4.08Å; M582-D586 HydrophobicContact CE-CB 4.05Å; M582-D586 WeakPolarHBondContact CE-O 3.28Å; M582-V587 HydrophobicContact CB-CG2 3.87Å; M582-V587 HydrophobicContact CE-CG2 4.46Å; M582-A590 HydrophobicContact CE-CB 3.53Å; M582-Y595 HydrophobicContact SD-CE1 4.32Å
583	S	75.6	Confident	79.4	Confident	55 Å²	55	53.7 Å²	53.7	39%	0.385	26%	0.26	S	S	.	.			trans	-70.6	167.7	167.9	82	0	0	0	0	111.1	Q585 D586 V587	S583-Q585 PolarHBondContact O-N 3.22Å; S583-Q585 PolarHBondContact OG-N 3.4Å; S583-D586 WeakPolarHBondContact CB-OD2 3.36Å; S583-D586 PolarHBondContact N-OD2 3.49Å; S583-D586 PolarHBondContact O-N 3.38Å; S583-D586 PolarHBondContact OG-N 2.89Å; S583-D586 VanDerWaalsContact OG-N 3.17Å; S583-D586 PolarHBondContact OG-OD2 2.99Å; S583-V587 VanDerWaalsContact O-CG2 3.31Å; S583-V587 WeakPolarHBondContact O-CG2 3.46Å; S583-V587 PolarHBondContact O-N 3.06Å
584	N	81.6	Confident	79.2	Confident	77 Å²	77	57.2 Å²	57.2	41%	0.412	28%	0.277	S	S	.	.	H	α-helix	trans	-65.4	-26.6	175.6	-73.4	1.1	0	0	0	112.6	V542 R543 I588	V542-N584 HydrophobicContact CB-CB 4.41Å; V542-N584 HydrophobicContact CG1-CB 4.31Å; V542-N584 HydrophobicContact CG2-CB 4.44Å; R543-N584 PolarHBondContact NE-OD1 3.35Å; R543-N584 PolarHBondContact NH2-OD1 3.42Å; N584-I588 WeakPolarHBondContact O-CG1 3.04Å; N584-I588 PolarHBondContact O-N 3.21Å
585	Q	80.6	Confident	78.9	Confident	82 Å²	82	59.1 Å²	59.1	38%	0.383	29%	0.285	S	S	.	.	H	α-helix	trans	-73.5	-41.1	174.4	-173.9	60.7	58.4	0	0	111.1	S583 V587 I588 N589	S583-Q585 PolarHBondContact O-N 3.22Å; S583-Q585 PolarHBondContact OG-N 3.4Å; Q585-V587 VanDerWaalsContact C-N 3.3Å; Q585-V587 PolarHBondContact O-N 3.44Å; Q585-I588 PolarHBondContact O-N 3.22Å; Q585-N589 PolarHBondContact NE2-OD1 3.21Å; Q585-N589 PolarHBondContact O-N 3.49Å; Q585-N589 PolarHBondContact O-ND2 2.81Å; Q585-N589 PolarHBondContact O-OD1 3.23Å
586	D	76.6	Confident	78.9	Confident	74 Å²	74	60.6 Å²	60.6	40%	0.396	29%	0.29	S	S	.	.	H	α-helix	trans	-65	-36.6	177.4	-54.8	-49.2	0	0	0	111.6	M582 S583 N589 A590	M582-D586 HydrophobicContact CB-CB 4.08Å; M582-D586 HydrophobicContact CE-CB 4.05Å; M582-D586 WeakPolarHBondContact CE-O 3.28Å; S583-D586 WeakPolarHBondContact CB-OD2 3.36Å; S583-D586 PolarHBondContact N-OD2 3.49Å; S583-D586 PolarHBondContact O-N 3.38Å; S583-D586 PolarHBondContact OG-N 2.89Å; S583-D586 VanDerWaalsContact OG-N 3.17Å; S583-D586 PolarHBondContact OG-OD2 2.99Å; D586-N589 PolarHBondContact O-N 2.96Å; D586-A590 VanDerWaalsContact O-CB 3.24Å; D586-A590 WeakPolarHBondContact O-CB 3.31Å; D586-A590 PolarHBondContact O-N 3.3Å
587	V	79.3	Confident	78.8	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-59.5	-45.9	173.2	170	0	0	0	0	111	V542 R543 Y579 M582 S583 Q585 I591	V542-V587 HydrophobicContact CG1-CG1 4.27Å; R543-V587 HydrophobicContact CG-CG1 4.34Å; R543-V587 HydrophobicContact CG-CG2 4.36Å; Y579-V587 VanDerWaalsContact CB-CG2 3.43Å; Y579-V587 HydrophobicContact CD1-CG2 4.3Å; Y579-V587 HydrophobicContact CD2-CG1 4.01Å; Y579-V587 HydrophobicContact CD2-CG2 4.14Å; Y579-V587 HydrophobicContact CE2-CG1 4.2Å; Y579-V587 HydrophobicContact CG-CG1 4.26Å; Y579-V587 HydrophobicContact CG-CG2 3.74Å; M582-V587 HydrophobicContact CB-CG2 3.87Å; M582-V587 HydrophobicContact CE-CG2 4.46Å; S583-V587 VanDerWaalsContact O-CG2 3.31Å; S583-V587 WeakPolarHBondContact O-CG2 3.46Å; S583-V587 PolarHBondContact O-N 3.06Å; Q585-V587 VanDerWaalsContact C-N 3.3Å; Q585-V587 PolarHBondContact O-N 3.44Å; V587-I591 HydrophobicContact CG1-CD1 3.62Å; V587-I591 VanDerWaalsContact O-CB 3.28Å; V587-I591 WeakPolarHBondContact O-CB 3.41Å; V587-I591 WeakPolarHBondContact O-CD1 3.37Å; V587-I591 WeakPolarHBondContact O-CG1 3.19Å; V587-I591 PolarHBondContact O-N 2.95Å
588	I	82.4	Confident	78.7	Confident	46 Å²	46	53.5 Å²	53.5	24%	0.236	27%	0.268	C	S	.	.	H	α-helix	trans	-62.7	-48.9	176	-66.8	165.5	0	0	0	110.5	V542 I550 N584 Q585 A590 I591 E592	V542-I588 HydrophobicContact CG1-CD1 3.96Å; V542-I588 HydrophobicContact CG1-CG1 3.71Å; I550-I588 HydrophobicContact CD1-CG1 4.38Å; I550-I588 HydrophobicContact CG2-CD1 4.07Å; I550-I588 HydrophobicContact CG2-CG1 4.3Å; N584-I588 WeakPolarHBondContact O-CG1 3.04Å; N584-I588 PolarHBondContact O-N 3.21Å; Q585-I588 PolarHBondContact O-N 3.22Å; I588-A590 PolarHBondContact O-N 2.97Å; I588-I591 PolarHBondContact O-N 2.95Å; I588-E592 PolarHBondContact O-N 3.17Å
589	N	80.3	Confident	78.2	Confident	66 Å²	66	54.4 Å²	54.4	35%	0.353	28%	0.275	S	S	.	.	H	α-helix	trans	-58.6	-45.7	-179	-64.9	-12.1	0	0	0	111.8	Q585 D586 E592 Q593	Q585-N589 PolarHBondContact NE2-OD1 3.21Å; Q585-N589 PolarHBondContact O-N 3.49Å; Q585-N589 PolarHBondContact O-ND2 2.81Å; Q585-N589 PolarHBondContact O-OD1 3.23Å; D586-N589 PolarHBondContact O-N 2.96Å; N589-E592 PolarHBondContact O-N 2.76Å; N589-Q593 VanDerWaalsContact O-CG 3.29Å; N589-Q593 WeakPolarHBondContact O-CG 3.1Å; N589-Q593 PolarHBondContact O-N 3.28Å
590	A	78.6	Confident	78.3	Confident	12 Å²	12	54.8 Å²	54.8	10%	0.099	28%	0.277	C	S	.	.	H	α-helix	trans	-71.3	-40.8	-178.6	0	0	0	0	0	112.2	M582 D586 I588 E592 Q593 D594 Y595	M582-A590 HydrophobicContact CE-CB 3.53Å; D586-A590 VanDerWaalsContact O-CB 3.24Å; D586-A590 WeakPolarHBondContact O-CB 3.31Å; D586-A590 PolarHBondContact O-N 3.3Å; I588-A590 PolarHBondContact O-N 2.97Å; A590-E592 VanDerWaalsContact C-N 3.27Å; A590-E592 PolarHBondContact O-N 3.46Å; A590-Q593 CarbonylContact O-C 3.55Å; A590-Q593 WeakPolarHBondContact O-CA 3.42Å; A590-Q593 PolarHBondContact O-N 2.84Å; A590-Q593 VanDerWaalsContact O-N 3.11Å; A590-D594 PolarHBondContact O-N 3.13Å; A590-Y595 HydrophobicContact CB-CD1 3.9Å; A590-Y595 HydrophobicContact CB-CG 4.26Å; A590-Y595 VanDerWaalsContact O-CB 3.27Å; A590-Y595 WeakPolarHBondContact O-CB 3.04Å; A590-Y595 PolarHBondContact O-N 3.07Å
591	I	86.1	Confident	79	Confident	4 Å²	4	51 Å²	51	2%	0.021	27%	0.266	C	S	.	.	H	α-helix	trans	-59	-40.8	174.5	-76.4	169.1	0	0	0	110.9	P547 W562 Y579 V587 I588 D594 R596	P547-I591 HydrophobicContact CB-CG2 4.4Å; P547-I591 HydrophobicContact CG-CG2 3.69Å; W562-I591 HydrophobicContact CH2-CG2 3.81Å; W562-I591 HydrophobicContact CZ2-CD1 4.11Å; W562-I591 HydrophobicContact CZ2-CG1 4.25Å; W562-I591 HydrophobicContact CZ2-CG2 3.81Å; Y579-I591 HydrophobicContact CE2-CD1 4.48Å; V587-I591 HydrophobicContact CG1-CD1 3.62Å; V587-I591 VanDerWaalsContact O-CB 3.28Å; V587-I591 WeakPolarHBondContact O-CB 3.41Å; V587-I591 WeakPolarHBondContact O-CD1 3.37Å; V587-I591 WeakPolarHBondContact O-CG1 3.19Å; V587-I591 PolarHBondContact O-N 2.95Å; I588-I591 PolarHBondContact O-N 2.95Å; I591-D594 PolarHBondContact O-N 3.1Å; I591-R596 PolarHBondContact O-NH1 3.31Å
592	E	83.9	Confident	79.7	Confident	88 Å²	88	48.8 Å²	48.8	41%	0.411	25%	0.254	S	S	.	.	H	α-helix	trans	-68.2	-33.6	174.3	-81.4	-59.5	151.1	0	0	113.3	I588 N589 A590 D594 K617	I588-E592 PolarHBondContact O-N 3.17Å; N589-E592 PolarHBondContact O-N 2.76Å; A590-E592 VanDerWaalsContact C-N 3.27Å; A590-E592 PolarHBondContact O-N 3.46Å; E592-D594 PolarHBondContact O-N 3.11Å; E592-K617 PolarHBondContact O-NZ 2.94Å; E592-K617 WeakPolarHBondContact OE2-CE 3.47Å; E592-K617 IonicContact OE2-NZ 2.72Å; E592-K617 PolarHBondContact OE2-NZ 3.24Å
593	Q	81.6	Confident	80.5	Confident	104 Å²	104	47 Å²	47	49%	0.486	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	13.6	170.7	-67.5	169.8	12.6	0	0	113.5	N589 A590 Y595	N589-Q593 VanDerWaalsContact O-CG 3.29Å; N589-Q593 WeakPolarHBondContact O-CG 3.1Å; N589-Q593 PolarHBondContact O-N 3.28Å; A590-Q593 CarbonylContact O-C 3.55Å; A590-Q593 WeakPolarHBondContact O-CA 3.42Å; A590-Q593 PolarHBondContact O-N 2.84Å; A590-Q593 VanDerWaalsContact O-N 3.11Å; Q593-Y595 PolarHBondContact O-N 3.29Å
594	D	82.3	Confident	81.2	Confident	87 Å²	87	44.5 Å²	44.5	47%	0.465	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	18.4	-179.6	-78.3	-58.2	0	0	0	116.4	A590 I591 E592 R596 K617	A590-D594 PolarHBondContact O-N 3.13Å; I591-D594 PolarHBondContact O-N 3.1Å; E592-D594 PolarHBondContact O-N 3.11Å; D594-R596 IonicContact OD1-CZ 3.24Å; D594-R596 IonicContact OD1-NH1 3.68Å; D594-R596 IonicContact OD1-NH2 2.95Å; D594-R596 PolarHBondContact OD1-NH2 2.89Å; D594-K617 WeakPolarHBondContact OD1-CD 3.41Å; D594-K617 WeakPolarHBondContact OD2-CD 3.32Å; D594-K617 IonicContact OD2-NZ 3.64Å
595	Y	83.6	Confident	81.5	Confident	65 Å²	65	43.1 Å²	43.1	26%	0.255	22%	0.224	S	C	.	.			trans	-65	142.2	165.3	178.6	-111.2	0	0	0	111.3	Y579 M582 A590 Q593 L657	Y579-Y595 HydrophobicContact CD1-CD1 4.49Å; Y579-Y595 HydrophobicContact CD1-CE1 4.06Å; Y579-Y595 HydrophobicContact CE1-CD1 4.13Å; Y579-Y595 AromaticContact CE1-CE1 3.97Å; Y579-Y595 HydrophobicContact CE1-CE1 3.97Å; M582-Y595 HydrophobicContact SD-CE1 4.32Å; A590-Y595 HydrophobicContact CB-CD1 3.9Å; A590-Y595 HydrophobicContact CB-CG 4.26Å; A590-Y595 VanDerWaalsContact O-CB 3.27Å; A590-Y595 WeakPolarHBondContact O-CB 3.04Å; A590-Y595 PolarHBondContact O-N 3.07Å; Q593-Y595 PolarHBondContact O-N 3.29Å; Y595-L657 HydrophobicContact CD2-CD1 3.27Å; Y595-L657 HydrophobicContact CE2-CD1 3.52Å; Y595-L657 HydrophobicContact CE2-CD2 4.4Å; Y595-L657 HydrophobicContact CG-CD1 4Å
596	R	87.2	Confident	82	Confident	34 Å²	34	40.8 Å²	40.8	13%	0.128	22%	0.219	C	C	.	.			trans	-138.2	157	177.2	-60.1	-61.9	-179.1	-89.9	-11.3	109.7	I591 D594 L612 W615	I591-R596 PolarHBondContact O-NH1 3.31Å; D594-R596 IonicContact OD1-CZ 3.24Å; D594-R596 IonicContact OD1-NH1 3.68Å; D594-R596 IonicContact OD1-NH2 2.95Å; D594-R596 PolarHBondContact OD1-NH2 2.89Å; R596-L612 HydrophobicContact CB-CD2 4.05Å; R596-L612 HydrophobicContact CG-CD2 4.44Å; R596-W615 HydrophobicContact CB-CE3 4.02Å; R596-W615 HydrophobicContact CB-CZ3 4.44Å; R596-W615 HydrophobicContact CG-CB 4.49Å; R596-W615 HydrophobicContact CG-CE3 4.46Å; R596-W615 PolarHBondContact NE-O 2.79Å; R596-W615 PolarHBondContact NH2-O 3.38Å
597	L	83.4	Confident	82.9	Confident	7 Å²	7	37.3 Å²	37.3	4%	0.037	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-63.6	137.2	-178.5	-68.1	166.7	0	0	0	111.6	I566 W569 P578 Y579 H608 W615	I566-L597 HydrophobicContact CD1-CD1 3.96Å; W569-L597 HydrophobicContact CB-CD1 4.39Å; W569-L597 HydrophobicContact CD2-CD1 3.85Å; W569-L597 HydrophobicContact CE3-CD1 4.31Å; W569-L597 HydrophobicContact CG-CB 4.32Å; W569-L597 HydrophobicContact CG-CD1 3.86Å; P578-L597 HydrophobicContact CB-CD1 4.19Å; Y579-L597 HydrophobicContact CD1-CD2 3.56Å; Y579-L597 HydrophobicContact CD1-CG 4.19Å; Y579-L597 HydrophobicContact CD2-CD1 4.37Å; Y579-L597 HydrophobicContact CD2-CD2 4.18Å; Y579-L597 HydrophobicContact CD2-CG 4.48Å; Y579-L597 HydrophobicContact CE1-CD2 3.64Å; Y579-L597 HydrophobicContact CE1-CG 3.73Å; Y579-L597 HydrophobicContact CE2-CD1 3.94Å; Y579-L597 HydrophobicContact CE2-CD2 4.25Å; Y579-L597 HydrophobicContact CE2-CG 4.07Å; Y579-L597 HydrophobicContact CG-CD2 3.84Å; L597-H608 PolarHBondContact O-NE2 3.29Å; L597-H608 VanDerWaalsContact O-NE2 3.14Å; L597-W615 HydrophobicContact CB-CH2 3.78Å; L597-W615 HydrophobicContact CB-CZ3 4.04Å; L597-W615 HydrophobicContact CD1-CH2 4.17Å; L597-W615 HydrophobicContact CD1-CZ2 4.26Å; L597-W615 HydrophobicContact CG-CH2 4.44Å
598	P	80.8	Confident	83.7	Confident	62 Å²	62	38 Å²	38	40%	0.403	20%	0.203	S	C	.	.	P	Polyproline II helix	trans	-65.6	160.4	175	30	-35.9	0	0	0	110.9	W569	W569-P598 PolarHBondContact NE1-O 3.43Å
599	P	77	Confident	84.3	Confident	20 Å²	20	40.3 Å²	40.3	13%	0.13	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-58.4	134.8	176.8	23.3	-32.4	0	0	0	111.4	H608 A646	P599-H608 HydrophobicContact CB-CB 4.08Å; P599-A646 HydrophobicContact CB-CB 3.48Å; P599-A646 VanDerWaalsContact CB-CB 3.48Å; P599-A646 HydrophobicContact CG-CB 3.95Å
600	P	80.9	Confident	85.1	Confident	11 Å²	11	37.4 Å²	37.4	7%	0.071	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-60.1	164	167.7	-26.4	36.5	0	0	0	113.2	W569 M572 D602 C603 M611	W569-P600 HydrophobicContact CD2-CG 4.28Å; W569-P600 HydrophobicContact CG-CG 3.97Å; M572-P600 HydrophobicContact CB-CB 3.93Å; M572-P600 HydrophobicContact CB-CG 3.88Å; M572-P600 WeakPolarHBondContact O-CB 3.47Å; P600-D602 PolarHBondContact O-N 2.86Å; P600-C603 HydrophobicContact CB-CB 4.13Å; P600-C603 WeakPolarHBondContact O-CB 3.11Å; P600-C603 PolarHBondContact O-N 2.87Å; P600-M611 HydrophobicContact CG-CE 4.43Å
601	M	70.7	Confident	86.1	Confident	51 Å²	51	36.9 Å²	36.9	25%	0.251	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	117.1	-174.7	-93.4	-59.2	-46.7	0	0	114.2	C603 K717 K718	M601-C603 PolarHBondContact O-N 2.65Å; M601-K717 HydrophobicContact CE-CG 4.21Å; M601-K717 PolarHBondContact O-NZ 2.64Å; M601-K718 VanDerWaalsContact CE-CA 3.42Å; M601-K718 HydrophobicContact CE-CB 4.14Å; M601-K718 HydrophobicContact CG-CB 4Å; M601-K718 HydrophobicContact CG-CG 4.29Å; M601-K718 VanDerWaalsContact SD-CA 3.55Å; M601-K718 HydrophobicContact SD-CB 3.63Å; M601-K718 HydrophobicContact SD-CD 4.35Å; M601-K718 HydrophobicContact SD-CG 3.63Å
602	D	73.8	Confident	86.6	Confident	43 Å²	43	39 Å²	39	23%	0.23	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	28.8	-172.7	-36.3	-71	0	0	0	113.5	P600 P604 V645 K717 S721	P600-D602 PolarHBondContact O-N 2.86Å; D602-P604 WeakPolarHBondContact O-CD 3.37Å; D602-V645 HydrophobicContact CB-CG2 4.38Å; D602-K717 WeakPolarHBondContact OD2-CE 3.24Å; D602-K717 WeakPolarHBondContact OD2-CG 3.41Å; D602-K717 IonicContact OD2-NZ 3.78Å; D602-K717 PolarHBondContact OD2-NZ 3.16Å; D602-S721 PolarHBondContact OD1-OG 2.87Å
603	C	84.6	Confident	87.2	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.199	C	C	.	.			trans	-63	128.8	172.6	-173.7	0	0	0	0	109.6	M572 P600 M601 S605 A646	M572-C603 HydrophobicContact CE-CB 4.38Å; P600-C603 HydrophobicContact CB-CB 4.13Å; P600-C603 WeakPolarHBondContact O-CB 3.11Å; P600-C603 PolarHBondContact O-N 2.87Å; M601-C603 PolarHBondContact O-N 2.65Å; C603-S605 PolarHBondContact O-N 3.39Å; C603-A646 WeakPolarHBondContact O-CB 3.1Å; C603-A646 PolarHBondContact O-N 3.43Å
604	P	89.9	Confident	88	Confident	2 Å²	2	32.5 Å²	32.5	1%	0.013	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-54	136.5	171.3	-26.7	32.6	0	0	0	112.3	V472 D602 A606 L607 H608 L642 A644	V472-P604 HydrophobicContact CG1-CG 3.62Å; D602-P604 WeakPolarHBondContact O-CD 3.37Å; P604-A606 PolarHBondContact O-N 2.98Å; P604-L607 HydrophobicContact CB-CB 4.44Å; P604-L607 HydrophobicContact CB-CD1 4.32Å; P604-L607 HydrophobicContact CB-CG 4.23Å; P604-L607 HydrophobicContact CG-CD1 3.95Å; P604-L607 HydrophobicContact CG-CG 4.41Å; P604-L607 PolarHBondContact O-N 3.31Å; P604-H608 PolarHBondContact O-N 3.17Å; P604-H608 VanDerWaalsContact O-N 3.08Å; P604-L642 HydrophobicContact CB-CB 4.48Å; P604-L642 HydrophobicContact CB-CD2 4.01Å; P604-L642 HydrophobicContact CG-CB 4.17Å; P604-L642 HydrophobicContact CG-CD2 3.97Å; P604-L642 WeakPolarHBondContact CG-O 3.37Å; P604-A644 CarbonylContact C-O 3.59Å; P604-A644 VanDerWaalsContact CA-O 3.23Å; P604-A644 WeakPolarHBondContact CA-O 3.31Å
605	S	87.8	Confident	88.8	Confident	48 Å²	48	28.4 Å²	28.4	34%	0.336	15%	0.154	S	C	.	.	H	α-helix	trans	-54.5	-39.1	179.6	58.5	0	0	0	0	112.3	C603 L607 H608 Q609 A644	C603-S605 PolarHBondContact O-N 3.39Å; S605-L607 VanDerWaalsContact C-N 3.3Å; S605-L607 PolarHBondContact O-N 3.4Å; S605-H608 PolarHBondContact O-N 2.79Å; S605-Q609 WeakPolarHBondContact O-CB 3.24Å; S605-Q609 PolarHBondContact O-N 2.82Å; S605-A644 PolarHBondContact N-O 3.33Å; S605-A644 PolarHBondContact OG-O 2.87Å
606	A	92.1	Very high	89.4	Confident	33 Å²	33	28.9 Å²	28.9	27%	0.273	16%	0.158	S	C	.	.	H	α-helix	trans	-69.7	-22.1	178.1	0	0	0	0	0	113.9	P604 L610 M635	P604-A606 PolarHBondContact O-N 2.98Å; A606-L610 PolarHBondContact O-N 3.18Å; A606-M635 HydrophobicContact CB-CE 3.77Å; A606-M635 VanDerWaalsContact O-CE 3.28Å; A606-M635 WeakPolarHBondContact O-CE 3.42Å
607	L	95.1	Very high	89.6	Confident	0 Å²	0	31 Å²	31	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-83.2	-42	171.5	-69.1	179.4	0	0	0	111.7	V476 M568 M572 P604 S605 L610 M611 L632 M635 L642	V476-L607 HydrophobicContact CG2-CD1 3.52Å; V476-L607 HydrophobicContact CG2-CD2 4.07Å; V476-L607 HydrophobicContact CG2-CG 4.34Å; M568-L607 HydrophobicContact CE-CB 4.44Å; M568-L607 HydrophobicContact CE-CD2 4.21Å; M568-L607 WeakPolarHBondContact CE-O 3.49Å; M572-L607 HydrophobicContact CE-CD1 4.09Å; M572-L607 HydrophobicContact CG-CD1 4.44Å; M572-L607 HydrophobicContact SD-CD1 3.82Å; P604-L607 HydrophobicContact CB-CB 4.44Å; P604-L607 HydrophobicContact CB-CD1 4.32Å; P604-L607 HydrophobicContact CB-CG 4.23Å; P604-L607 HydrophobicContact CG-CD1 3.95Å; P604-L607 HydrophobicContact CG-CG 4.41Å; P604-L607 PolarHBondContact O-N 3.31Å; S605-L607 VanDerWaalsContact C-N 3.3Å; S605-L607 PolarHBondContact O-N 3.4Å; L607-L610 PolarHBondContact O-N 3.49Å; L607-M611 WeakPolarHBondContact O-CG 3.26Å; L607-M611 PolarHBondContact O-N 2.77Å; L607-L632 HydrophobicContact CD2-CD2 3.72Å; L607-M635 HydrophobicContact CD2-CE 4.27Å; L607-M635 HydrophobicContact CD2-SD 3.48Å; L607-M635 WeakPolarHBondContact CD2-SD 3.28Å; L607-M635 HydrophobicContact CG-SD 4.25Å; L607-L642 HydrophobicContact CD1-CD2 4.19Å; L607-L642 HydrophobicContact CG-CD2 4.13Å
608	H	94.8	Very high	90	Very high	14 Å²	14	34.4 Å²	34.4	7%	0.065	19%	0.187	C	C	.	.	H	α-helix	trans	-66	-38.2	175.5	-176.7	-120.5	0	0	0	112	L597 P599 P604 S605 L610 M611 L612 A646	L597-H608 PolarHBondContact O-NE2 3.29Å; L597-H608 VanDerWaalsContact O-NE2 3.14Å; P599-H608 HydrophobicContact CB-CB 4.08Å; P604-H608 PolarHBondContact O-N 3.17Å; P604-H608 VanDerWaalsContact O-N 3.08Å; S605-H608 PolarHBondContact O-N 2.79Å; H608-L610 VanDerWaalsContact C-N 3.3Å; H608-L610 PolarHBondContact O-N 2.8Å; H608-M611 WeakPolarHBondContact O-CA 3.35Å; H608-M611 WeakPolarHBondContact O-CB 3.45Å; H608-M611 PolarHBondContact O-N 3.31Å; H608-L612 WeakPolarHBondContact O-CG 3.48Å; H608-L612 PolarHBondContact O-N 3.26Å; H608-A646 HydrophobicContact CB-CB 4Å
609	Q	95.7	Very high	90.7	Very high	95 Å²	95	34.3 Å²	34.3	44%	0.444	18%	0.178	S	C	.	.	H	α-helix	trans	-56.9	-45.3	171.2	-175.6	59.7	55.5	0	0	111.3	S605 M611 L612 D613	S605-Q609 WeakPolarHBondContact O-CB 3.24Å; S605-Q609 PolarHBondContact O-N 2.82Å; Q609-M611 VanDerWaalsContact C-N 3.27Å; Q609-M611 PolarHBondContact O-N 2.9Å; Q609-L612 CarbonylContact O-C 3.54Å; Q609-L612 WeakPolarHBondContact O-CA 3.19Å; Q609-L612 WeakPolarHBondContact O-CB 3.42Å; Q609-L612 PolarHBondContact O-N 2.78Å; Q609-D613 PolarHBondContact NE2-OD1 3.49Å; Q609-D613 PolarHBondContact O-N 2.99Å
610	L	97.8	Very high	91.4	Very high	6 Å²	6	39.2 Å²	39.2	3%	0.031	20%	0.203	C	C	.	.	H	α-helix	trans	-64.5	-28.7	177.1	-176.9	61.3	0	0	0	112.8	M568 A606 L607 H608 C614 P623 I628 T631 L632	M568-L610 HydrophobicContact CE-CB 4.01Å; M568-L610 HydrophobicContact CE-CD2 3.9Å; M568-L610 HydrophobicContact CE-CG 3.95Å; M568-L610 HydrophobicContact SD-CD2 4.23Å; M568-L610 HydrophobicContact SD-CG 4.04Å; A606-L610 PolarHBondContact O-N 3.18Å; L607-L610 PolarHBondContact O-N 3.49Å; H608-L610 VanDerWaalsContact C-N 3.3Å; H608-L610 PolarHBondContact O-N 2.8Å; L610-C614 PolarHBondContact O-N 3.2Å; L610-C614 VanDerWaalsContact O-N 3.1Å; L610-C614 PolarHBondContact O-SG 3.03Å; L610-P623 HydrophobicContact CD1-CG 4.3Å; L610-I628 HydrophobicContact CD1-CG1 4.38Å; L610-I628 HydrophobicContact CD2-CG2 4.44Å; L610-T631 HydrophobicContact CD1-CG2 4.42Å; L610-T631 HydrophobicContact CD2-CG2 4.02Å; L610-L632 HydrophobicContact CD2-CD2 3.95Å; L610-L632 HydrophobicContact CD2-CG 4.17Å
611	M	98.3	Very high	92.2	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-66.2	-46.6	168.4	-58.9	169	-162.2	0	0	111.3	M568 W569 M572 P600 L607 H608 Q609 D613 C614 W615	M568-M611 HydrophobicContact CB-CE 4.07Å; M568-M611 HydrophobicContact CB-CG 3.75Å; M568-M611 HydrophobicContact CB-SD 4.48Å; M568-M611 HydrophobicContact CE-CE 4.46Å; M568-M611 HydrophobicContact CE-CG 3.97Å; M568-M611 WeakPolarHBondContact O-CE 3.43Å; M568-M611 HydrophobicContact SD-CG 4.27Å; W569-M611 HydrophobicContact CB-SD 4.15Å; M572-M611 HydrophobicContact CB-CE 4.02Å; M572-M611 HydrophobicContact CG-CE 3.82Å; P600-M611 HydrophobicContact CG-CE 4.43Å; L607-M611 WeakPolarHBondContact O-CG 3.26Å; L607-M611 PolarHBondContact O-N 2.77Å; H608-M611 WeakPolarHBondContact O-CA 3.35Å; H608-M611 WeakPolarHBondContact O-CB 3.45Å; H608-M611 PolarHBondContact O-N 3.31Å; Q609-M611 VanDerWaalsContact C-N 3.27Å; Q609-M611 PolarHBondContact O-N 2.9Å; M611-D613 VanDerWaalsContact C-N 3.31Å; M611-D613 PolarHBondContact O-N 3.03Å; M611-C614 WeakPolarHBondContact O-CB 3.36Å; M611-C614 PolarHBondContact O-N 3.17Å; M611-C614 VanDerWaalsContact O-N 3.12Å; M611-W615 HydrophobicContact CB-CD2 4.49Å; M611-W615 HydrophobicContact CB-CE3 4.16Å; M611-W615 HydrophobicContact CB-CH2 3.74Å; M611-W615 HydrophobicContact CB-CZ2 4.1Å; M611-W615 HydrophobicContact CB-CZ3 3.78Å; M611-W615 HydrophobicContact CG-CH2 4.37Å; M611-W615 VanDerWaalsContact O-CD2 3.26Å; M611-W615 PolarHBondContact O-N 3.13Å; M611-W615 HydrophobicContact SD-CH2 4.25Å
612	L	96.9	Very high	93.5	Very high	50 Å²	50	41.2 Å²	41.2	26%	0.262	22%	0.217	S	C	.	.	H	α-helix	trans	-61.8	-37.9	176.9	-63.6	174.2	0	0	0	112	R596 H608 Q609 C614 W615 Q616	R596-L612 HydrophobicContact CB-CD2 4.05Å; R596-L612 HydrophobicContact CG-CD2 4.44Å; H608-L612 WeakPolarHBondContact O-CG 3.48Å; H608-L612 PolarHBondContact O-N 3.26Å; Q609-L612 CarbonylContact O-C 3.54Å; Q609-L612 WeakPolarHBondContact O-CA 3.19Å; Q609-L612 WeakPolarHBondContact O-CB 3.42Å; Q609-L612 PolarHBondContact O-N 2.78Å; L612-C614 VanDerWaalsContact C-N 3.33Å; L612-W615 HydrophobicContact CD2-CE3 4.19Å; L612-W615 HydrophobicContact CD2-CZ3 4.44Å; L612-W615 CarbonylContact O-C 3.54Å; L612-W615 PolarHBondContact O-N 3.08Å; L612-W615 VanDerWaalsContact O-N 3.14Å; L612-Q616 PolarHBondContact O-N 2.66Å
613	D	97.8	Very high	94.6	Very high	55 Å²	55	40.5 Å²	40.5	29%	0.294	21%	0.214	S	C	.	.	H	α-helix	trans	-64.3	-37.8	174.2	-59.6	-21.4	0	0	0	111.2	Q609 M611 W615 Q616 P623	Q609-D613 PolarHBondContact NE2-OD1 3.49Å; Q609-D613 PolarHBondContact O-N 2.99Å; M611-D613 VanDerWaalsContact C-N 3.31Å; M611-D613 PolarHBondContact O-N 3.03Å; D613-W615 VanDerWaalsContact C-N 3.31Å; D613-Q616 WeakPolarHBondContact O-CG 3.39Å; D613-P623 HydrophobicContact CB-CG 4.17Å; D613-P623 WeakPolarHBondContact O-CD 3.41Å
614	C	98.5	Very high	95.3	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-69.1	-26.8	172.4	-66.9	0	0	0	0	113.1	V561 L610 M611 L612 R622	V561-C614 HydrophobicContact CG1-CB 3.92Å; V561-C614 WeakPolarHBondContact O-CB 3.4Å; L610-C614 PolarHBondContact O-N 3.2Å; L610-C614 VanDerWaalsContact O-N 3.1Å; L610-C614 PolarHBondContact O-SG 3.03Å; M611-C614 WeakPolarHBondContact O-CB 3.36Å; M611-C614 PolarHBondContact O-N 3.17Å; M611-C614 VanDerWaalsContact O-N 3.12Å; L612-C614 VanDerWaalsContact C-N 3.33Å; C614-R622 VanDerWaalsContact O-CD 3.26Å; C614-R622 WeakPolarHBondContact O-CD 3.4Å
615	W	98.1	Very high	95.7	Very high	1 Å²	1	48.7 Å²	48.7	0%	0.004	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	24.6	179.9	-53.6	-40.7	0	0	0	114.8	W562 G565 I566 W569 R596 L597 M611 L612 D613 K617	W562-W615 AromaticContact CD2-CD1 3.85Å; W562-W615 HydrophobicContact CE3-CB 4.09Å; W562-W615 HydrophobicContact CH2-CB 4.2Å; W562-W615 HydrophobicContact CZ3-CB 3.94Å; W562-W615 VanDerWaalsContact CZ3-O 3.24Å; W562-W615 WeakPolarHBondContact CZ3-O 3.42Å; W562-W615 PolarHBondContact O-NE1 2.98Å; G565-W615 VanDerWaalsContact C-CZ2 3.5Å; G565-W615 WeakPolarHBondContact O-CZ2 3.3Å; I566-W615 HydrophobicContact CD1-CZ2 3.76Å; I566-W615 HydrophobicContact CG1-CZ2 4.48Å; W569-W615 HydrophobicContact CB-CH2 4.08Å; W569-W615 HydrophobicContact CB-CZ2 4.1Å; W569-W615 AromaticContact CD1-CH2 3.96Å; W569-W615 HydrophobicContact CG-CH2 4.28Å; R596-W615 HydrophobicContact CB-CE3 4.02Å; R596-W615 HydrophobicContact CB-CZ3 4.44Å; R596-W615 HydrophobicContact CG-CB 4.49Å; R596-W615 HydrophobicContact CG-CE3 4.46Å; R596-W615 PolarHBondContact NE-O 2.79Å; R596-W615 PolarHBondContact NH2-O 3.38Å; L597-W615 HydrophobicContact CB-CH2 3.78Å; L597-W615 HydrophobicContact CB-CZ3 4.04Å; L597-W615 HydrophobicContact CD1-CH2 4.17Å; L597-W615 HydrophobicContact CD1-CZ2 4.26Å; L597-W615 HydrophobicContact CG-CH2 4.44Å; M611-W615 HydrophobicContact CB-CD2 4.49Å; M611-W615 HydrophobicContact CB-CE3 4.16Å; M611-W615 HydrophobicContact CB-CH2 3.74Å; M611-W615 HydrophobicContact CB-CZ2 4.1Å; M611-W615 HydrophobicContact CB-CZ3 3.78Å; M611-W615 HydrophobicContact CG-CH2 4.37Å; M611-W615 VanDerWaalsContact O-CD2 3.26Å; M611-W615 PolarHBondContact O-N 3.13Å; M611-W615 HydrophobicContact SD-CH2 4.25Å; L612-W615 HydrophobicContact CD2-CE3 4.19Å; L612-W615 HydrophobicContact CD2-CZ3 4.44Å; L612-W615 CarbonylContact O-C 3.54Å; L612-W615 PolarHBondContact O-N 3.08Å; L612-W615 VanDerWaalsContact O-N 3.14Å; D613-W615 VanDerWaalsContact C-N 3.31Å; W615-K617 PolarHBondContact O-N 3.5Å
616	Q	96.9	Very high	96.1	Very high	75 Å²	75	48.3 Å²	48.3	35%	0.35	25%	0.245	S	C	.	.			trans	-61.9	136	171.3	-68.8	-64	-24.4	0	0	111	L612 D613 V621 R622	L612-Q616 PolarHBondContact O-N 2.66Å; D613-Q616 WeakPolarHBondContact O-CG 3.39Å; Q616-V621 HydrophobicContact CB-CB 4.24Å; Q616-V621 HydrophobicContact CB-CG1 4.43Å; Q616-V621 HydrophobicContact CG-CB 4.47Å; Q616-V621 HydrophobicContact CG-CG1 4.11Å; Q616-R622 HydrophobicContact CB-CG 3.96Å; Q616-R622 PolarHBondContact O-NE 3.43Å; Q616-R622 PolarHBondContact O-NH2 3.17Å
617	K	90.4	Very high	96.4	Very high	78 Å²	78	49.4 Å²	49.4	34%	0.339	25%	0.246	S	C	.	.	S	Bend	trans	-65.9	-44.4	-176.4	-165.8	167.8	-171.6	171	0	111.1	E592 D594 W615 R619 R622	E592-K617 PolarHBondContact O-NZ 2.94Å; E592-K617 WeakPolarHBondContact OE2-CE 3.47Å; E592-K617 IonicContact OE2-NZ 2.72Å; E592-K617 PolarHBondContact OE2-NZ 3.24Å; D594-K617 WeakPolarHBondContact OD1-CD 3.41Å; D594-K617 WeakPolarHBondContact OD2-CD 3.32Å; D594-K617 IonicContact OD2-NZ 3.64Å; W615-K617 PolarHBondContact O-N 3.5Å; K617-R619 PolarHBondContact O-N 2.88Å; K617-R622 PolarHBondContact O-NH2 2.04Å
618	D	91.8	Very high	96.6	Very high	79 Å²	79	49.4 Å²	49.4	42%	0.422	25%	0.246	S	C	.	.	S	Bend	trans	-73	111.7	163.8	-175.3	5.8	0	0	0	110.6	N620 V621	D618-N620 PolarHBondContact O-N 2.94Å; D618-N620 VanDerWaalsContact O-N 3.12Å; D618-N620 WeakPolarHBondContact OD1-CB 3.49Å; D618-N620 VanDerWaalsContact OD1-CG 3.29Å; D618-N620 PolarHBondContact OD1-N 2.72Å; D618-N620 PolarHBondContact OD1-ND2 3.12Å; D618-N620 PolarHBondContact OD2-ND2 3.03Å; D618-V621 HydrophobicContact CB-CG2 3.99Å; D618-V621 PolarHBondContact O-N 2.82Å; D618-V621 VanDerWaalsContact O-N 3.08Å
619	R	95.1	Very high	96.7	Very high	60 Å²	60	49.4 Å²	49.4	23%	0.226	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-23	174.5	74.8	-176.5	-158.9	144.7	12.6	114.7	A558 K617 V621	A558-R619 HydrophobicContact CB-CB 4.08Å; K617-R619 PolarHBondContact O-N 2.88Å; R619-V621 VanDerWaalsContact C-N 3.31Å
620	N	93.1	Very high	96.8	Very high	122 Å²	122	47.3 Å²	47.3	65%	0.652	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-16.3	-179.6	-48.1	-55.3	0	0	0	112.4	D618	D618-N620 PolarHBondContact O-N 2.94Å; D618-N620 VanDerWaalsContact O-N 3.12Å; D618-N620 WeakPolarHBondContact OD1-CB 3.49Å; D618-N620 VanDerWaalsContact OD1-CG 3.29Å; D618-N620 PolarHBondContact OD1-N 2.72Å; D618-N620 PolarHBondContact OD1-ND2 3.12Å; D618-N620 PolarHBondContact OD2-ND2 3.03Å
621	V	96.4	Very high	96.8	Very high	93 Å²	93	49 Å²	49	56%	0.564	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-19.8	176.9	-176.2	0	0	0	0	111.5	Q616 D618 R619	Q616-V621 HydrophobicContact CB-CB 4.24Å; Q616-V621 HydrophobicContact CB-CG1 4.43Å; Q616-V621 HydrophobicContact CG-CB 4.47Å; Q616-V621 HydrophobicContact CG-CG1 4.11Å; D618-V621 HydrophobicContact CB-CG2 3.99Å; D618-V621 PolarHBondContact O-N 2.82Å; D618-V621 VanDerWaalsContact O-N 3.08Å; R619-V621 VanDerWaalsContact C-N 3.31Å
622	R	98.3	Very high	96.8	Very high	12 Å²	12	49 Å²	49	5%	0.045	25%	0.253	C	S	.	.	S	Bend	trans	-61.6	137.8	177.5	-60	176.4	-164.7	149.6	12.2	110.8	E548 A558 V561 C614 Q616 K617	E548-R622 IonicContact OE1-CZ 3.86Å; E548-R622 IonicContact OE1-NH1 2.81Å; E548-R622 PolarHBondContact OE1-NH1 2.83Å; E548-R622 IonicContact OE1-NH2 3.9Å; E548-R622 IonicContact OE2-CZ 3.28Å; E548-R622 IonicContact OE2-NH1 3.59Å; E548-R622 PolarHBondContact OE2-NH1 3.15Å; E548-R622 IonicContact OE2-NH2 3.49Å; E548-R622 PolarHBondContact OE2-NH2 2.68Å; A558-R622 WeakPolarHBondContact O-CD 3.47Å; A558-R622 PolarHBondContact O-NH1 2.56Å; V561-R622 HydrophobicContact CG1-CB 3.93Å; C614-R622 VanDerWaalsContact O-CD 3.26Å; C614-R622 WeakPolarHBondContact O-CD 3.4Å; Q616-R622 HydrophobicContact CB-CG 3.96Å; Q616-R622 PolarHBondContact O-NE 3.43Å; Q616-R622 PolarHBondContact O-NH2 3.17Å; K617-R622 PolarHBondContact O-NH2 2.04Å
623	P	98.3	Very high	96.7	Very high	28 Å²	28	48.3 Å²	48.3	18%	0.182	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-66.9	142.9	179.1	29.1	-34.7	0	0	0	110.8	V561 L610 D613 D627 I628	V561-P623 WeakPolarHBondContact CG1-O 3.47Å; V561-P623 WeakPolarHBondContact CG2-O 3.3Å; L610-P623 HydrophobicContact CD1-CG 4.3Å; D613-P623 HydrophobicContact CB-CG 4.17Å; D613-P623 WeakPolarHBondContact O-CD 3.41Å; P623-D627 HydrophobicContact CB-CB 4.32Å; P623-I628 HydrophobicContact CB-CG1 4.06Å; P623-I628 HydrophobicContact CG-CD1 4.24Å; P623-I628 HydrophobicContact CG-CG1 3.92Å
624	R	97.6	Very high	96.6	Very high	170 Å²	170	51.3 Å²	51.3	64%	0.642	26%	0.26	S	S	*	.	P	Polyproline II helix	trans	-77.7	158.6	175.5	-51	163.6	-62.8	174.8	5.5	109.2	A626 D627 I628	R624-A626 PolarHBondContact O-N 3.33Å; R624-D627 VanDerWaalsContact CB-OD2 3.23Å; R624-D627 WeakPolarHBondContact CB-OD2 3.4Å; R624-D627 IonicContact CZ-OD1 2.68Å; R624-D627 IonicContact CZ-OD2 2.7Å; R624-D627 PolarHBondContact N-OD2 2.9Å; R624-D627 VanDerWaalsContact N-OD2 3.08Å; R624-D627 IonicContact NE-OD1 2.9Å; R624-D627 IonicContact NE-OD2 3.76Å; R624-D627 PolarHBondContact NE-OD2 3.38Å; R624-D627 IonicContact NH2-OD1 2.73Å; R624-D627 PolarHBondContact NH2-OD1 3.2Å; R624-D627 IonicContact NH2-OD2 2.93Å; R624-D627 PolarHBondContact NH2-OD2 3.43Å; R624-D627 WeakPolarHBondContact O-CA 3.36Å; R624-D627 WeakPolarHBondContact O-CB 3.22Å; R624-D627 PolarHBondContact O-N 3.28Å; R624-I628 PolarHBondContact O-N 3.35Å
625	F	98.4	Very high	96.4	Very high	4 Å²	4	51.9 Å²	51.9	2%	0.018	26%	0.263	C	S	.	.	H	α-helix	trans	-55.4	-30.3	179.7	-73.4	-66.3	0	0	0	114.8	M486 K487 D560 V561 Y564 I628 V629	M486-F625 HydrophobicContact CB-CD1 3.53Å; M486-F625 HydrophobicContact CB-CD2 3.87Å; M486-F625 HydrophobicContact CB-CE1 3.4Å; M486-F625 VanDerWaalsContact CB-CE1 3.4Å; M486-F625 HydrophobicContact CB-CE2 3.75Å; M486-F625 HydrophobicContact CB-CG 3.77Å; M486-F625 HydrophobicContact CB-CZ 3.52Å; M486-F625 HydrophobicContact CE-CE2 4Å; M486-F625 HydrophobicContact CE-CZ 4.01Å; M486-F625 HydrophobicContact CG-CE1 3.99Å; M486-F625 HydrophobicContact CG-CZ 4Å; K487-F625 VanDerWaalsContact CA-CB 3.49Å; K487-F625 HydrophobicContact CB-CB 3.81Å; D560-F625 HydrophobicContact CB-CE2 4Å; D560-F625 HydrophobicContact CB-CZ 4.09Å; V561-F625 HydrophobicContact CB-CZ 4.36Å; V561-F625 HydrophobicContact CG2-CD1 4.32Å; V561-F625 HydrophobicContact CG2-CD2 3.91Å; V561-F625 HydrophobicContact CG2-CE1 4.05Å; V561-F625 HydrophobicContact CG2-CE2 3.61Å; V561-F625 HydrophobicContact CG2-CG 4.25Å; V561-F625 HydrophobicContact CG2-CZ 3.68Å; Y564-F625 HydrophobicContact CD1-CE1 4.2Å; Y564-F625 HydrophobicContact CD2-CE1 4.15Å; Y564-F625 AromaticContact CG-CE1 3.72Å; Y564-F625 HydrophobicContact CG-CE1 3.72Å; F625-I628 HydrophobicContact CD1-CD1 3.95Å; F625-I628 HydrophobicContact CE1-CD1 4.28Å; F625-I628 PolarHBondContact O-N 3.35Å; F625-V629 VanDerWaalsContact O-CG2 3.29Å; F625-V629 WeakPolarHBondContact O-CG2 3.24Å; F625-V629 PolarHBondContact O-N 3.27Å
626	A	97.3	Very high	96.2	Very high	39 Å²	39	54.5 Å²	54.5	32%	0.322	28%	0.277	S	S	.	.	H	α-helix	trans	-64.3	-38.5	171.8	0	0	0	0	0	113.1	K487 R624 S630	K487-A626 HydrophobicContact CD-CB 4.25Å; K487-A626 HydrophobicContact CG-CB 4.35Å; R624-A626 PolarHBondContact O-N 3.33Å; A626-S630 WeakPolarHBondContact O-CB 3.39Å; A626-S630 PolarHBondContact O-N 2.66Å
627	D	98	Very high	96	Very high	57 Å²	57	59.6 Å²	59.6	31%	0.305	29%	0.293	S	S	.	.	H	α-helix	trans	-74.2	-36	179.3	-46	-53.9	0	0	0	110.4	P623 R624 T631	P623-D627 HydrophobicContact CB-CB 4.32Å; R624-D627 VanDerWaalsContact CB-OD2 3.23Å; R624-D627 WeakPolarHBondContact CB-OD2 3.4Å; R624-D627 IonicContact CZ-OD1 2.68Å; R624-D627 IonicContact CZ-OD2 2.7Å; R624-D627 PolarHBondContact N-OD2 2.9Å; R624-D627 VanDerWaalsContact N-OD2 3.08Å; R624-D627 IonicContact NE-OD1 2.9Å; R624-D627 IonicContact NE-OD2 3.76Å; R624-D627 PolarHBondContact NE-OD2 3.38Å; R624-D627 IonicContact NH2-OD1 2.73Å; R624-D627 PolarHBondContact NH2-OD1 3.2Å; R624-D627 IonicContact NH2-OD2 2.93Å; R624-D627 PolarHBondContact NH2-OD2 3.43Å; R624-D627 WeakPolarHBondContact O-CA 3.36Å; R624-D627 WeakPolarHBondContact O-CB 3.22Å; R624-D627 PolarHBondContact O-N 3.28Å; D627-T631 WeakPolarHBondContact O-CB 3.29Å; D627-T631 PolarHBondContact O-N 2.88Å; D627-T631 PolarHBondContact O-OG1 3.33Å
628	I	98.6	Very high	96	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-61.8	-52.9	171.2	-63.8	174.3	0	0	0	111	V561 Y564 L610 P623 R624 F625 S630 T631 L632	V561-I628 HydrophobicContact CG1-CD1 4.12Å; V561-I628 HydrophobicContact CG2-CD1 4.15Å; Y564-I628 HydrophobicContact CD1-CD1 4.01Å; Y564-I628 HydrophobicContact CD1-CG2 4.3Å; Y564-I628 HydrophobicContact CE1-CD1 4.29Å; Y564-I628 HydrophobicContact CE1-CG2 3.54Å; L610-I628 HydrophobicContact CD1-CG1 4.38Å; L610-I628 HydrophobicContact CD2-CG2 4.44Å; P623-I628 HydrophobicContact CB-CG1 4.06Å; P623-I628 HydrophobicContact CG-CD1 4.24Å; P623-I628 HydrophobicContact CG-CG1 3.92Å; R624-I628 PolarHBondContact O-N 3.35Å; F625-I628 HydrophobicContact CD1-CD1 3.95Å; F625-I628 HydrophobicContact CE1-CD1 4.28Å; F625-I628 PolarHBondContact O-N 3.35Å; I628-S630 VanDerWaalsContact C-N 3.33Å; I628-S630 PolarHBondContact O-N 3.15Å; I628-T631 WeakPolarHBondContact O-CA 3.28Å; I628-T631 WeakPolarHBondContact O-CB 3.39Å; I628-T631 PolarHBondContact O-N 3.46Å; I628-L632 HydrophobicContact CG2-CD1 3.96Å; I628-L632 PolarHBondContact O-N 2.8Å
629	V	98.4	Very high	95.8	Very high	14 Å²	14	59.2 Å²	59.2	9%	0.085	30%	0.298	C	S	.	.	H	α-helix	trans	-59.5	-44.1	178.7	171.2	0	0	0	0	110.9	S483 A484 K487 F625 T631 L632 D633	S483-V629 VanDerWaalsContact C-CG2 3.45Å; S483-V629 WeakPolarHBondContact O-CG2 3.21Å; A484-V629 HydrophobicContact CB-CG2 4.32Å; K487-V629 HydrophobicContact CB-CG2 4.43Å; K487-V629 HydrophobicContact CD-CG2 4.48Å; F625-V629 VanDerWaalsContact O-CG2 3.29Å; F625-V629 WeakPolarHBondContact O-CG2 3.24Å; F625-V629 PolarHBondContact O-N 3.27Å; V629-T631 PolarHBondContact O-N 3.35Å; V629-L632 PolarHBondContact O-N 3.04Å; V629-D633 WeakPolarHBondContact O-CB 3.38Å; V629-D633 PolarHBondContact O-N 2.87Å
630	S	97.6	Very high	95.2	Very high	50 Å²	50	60.3 Å²	60.3	35%	0.35	31%	0.312	S	S	.	.	H	α-helix	trans	-58.3	-35.5	174.9	-177.5	0	0	0	0	112.6	A626 I628 K634	A626-S630 WeakPolarHBondContact O-CB 3.39Å; A626-S630 PolarHBondContact O-N 2.66Å; I628-S630 VanDerWaalsContact C-N 3.33Å; I628-S630 PolarHBondContact O-N 3.15Å; S630-K634 WeakPolarHBondContact O-CD 3.23Å; S630-K634 WeakPolarHBondContact O-CE 3.41Å; S630-K634 VanDerWaalsContact O-CG 3.23Å; S630-K634 WeakPolarHBondContact O-CG 3.34Å; S630-K634 PolarHBondContact O-N 3.15Å
631	T	97.6	Very high	94.7	Very high	41 Å²	41	56.5 Å²	56.5	25%	0.252	29%	0.294	S	S	.	.	H	α-helix	trans	-74.2	-46.5	179.6	-62.6	0	0	0	0	111.9	L610 D627 I628 V629 D633 K634 M635	L610-T631 HydrophobicContact CD1-CG2 4.42Å; L610-T631 HydrophobicContact CD2-CG2 4.02Å; D627-T631 WeakPolarHBondContact O-CB 3.29Å; D627-T631 PolarHBondContact O-N 2.88Å; D627-T631 PolarHBondContact O-OG1 3.33Å; I628-T631 WeakPolarHBondContact O-CA 3.28Å; I628-T631 WeakPolarHBondContact O-CB 3.39Å; I628-T631 PolarHBondContact O-N 3.46Å; V629-T631 PolarHBondContact O-N 3.35Å; T631-D633 PolarHBondContact O-N 2.69Å; T631-K634 WeakPolarHBondContact O-CB 3.41Å; T631-K634 PolarHBondContact O-N 3.38Å; T631-K634 VanDerWaalsContact O-N 3.17Å; T631-M635 HydrophobicContact CG2-CE 3.7Å; T631-M635 PolarHBondContact O-N 3.06Å
632	L	97.4	Very high	94.2	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-65.5	-38.9	175.3	-63.6	169.3	0	0	0	111.8	V476 L479 R480 S483 Y564 L607 L610 I628 V629 K634 M635 I636	V476-L632 HydrophobicContact CG1-CD2 4.24Å; L479-L632 HydrophobicContact CB-CD1 4.34Å; R480-L632 HydrophobicContact CB-CB 4.14Å; R480-L632 HydrophobicContact CB-CD1 4.32Å; R480-L632 HydrophobicContact CG-CB 4.2Å; S483-L632 WeakPolarHBondContact OG-CD1 3.44Å; Y564-L632 VanDerWaalsContact OH-CD1 3.32Å; Y564-L632 WeakPolarHBondContact OH-CD1 3.4Å; L607-L632 HydrophobicContact CD2-CD2 3.72Å; L610-L632 HydrophobicContact CD2-CD2 3.95Å; L610-L632 HydrophobicContact CD2-CG 4.17Å; I628-L632 HydrophobicContact CG2-CD1 3.96Å; I628-L632 PolarHBondContact O-N 2.8Å; V629-L632 PolarHBondContact O-N 3.04Å; L632-K634 VanDerWaalsContact C-N 3.25Å; L632-K634 PolarHBondContact O-N 2.96Å; L632-M635 HydrophobicContact CD2-SD 4.08Å; L632-M635 WeakPolarHBondContact O-CB 3.35Å; L632-M635 PolarHBondContact O-N 3.14Å; L632-M635 VanDerWaalsContact O-N 3.1Å; L632-I636 WeakPolarHBondContact O-CG1 3.35Å; L632-I636 PolarHBondContact O-N 3.35Å
633	D	96.1	Very high	93.3	Very high	36 Å²	36	60.2 Å²	60.2	19%	0.193	30%	0.304	C	S	.	.	H	α-helix	trans	-63.9	-28.2	174.3	-82.4	-17.9	0	0	0	112.6	R480 V629 T631 R637	R480-D633 IonicContact CZ-OD1 2.74Å; R480-D633 IonicContact CZ-OD2 3.54Å; R480-D633 IonicContact NE-OD1 2.64Å; R480-D633 PolarHBondContact NE-OD1 2.97Å; R480-D633 IonicContact NE-OD2 3.2Å; R480-D633 IonicContact NH2-OD1 3.62Å; R480-D633 PolarHBondContact NH2-OD1 3.11Å; R480-D633 IonicContact NH2-OD2 3.52Å; R480-D633 PolarHBondContact NH2-OD2 3.33Å; V629-D633 WeakPolarHBondContact O-CB 3.38Å; V629-D633 PolarHBondContact O-N 2.87Å; T631-D633 PolarHBondContact O-N 2.69Å; D633-R637 WeakPolarHBondContact O-CB 3.35Å; D633-R637 WeakPolarHBondContact O-CG 3.48Å; D633-R637 PolarHBondContact O-N 3.43Å; D633-R637 PolarHBondContact O-NE 3.39Å
634	K	95.3	Very high	92.3	Very high	118 Å²	118	61.5 Å²	61.5	51%	0.513	32%	0.317	S	S	.	.	H	α-helix	trans	-70.2	-42	171.1	-69.4	158.9	-164.4	167.1	0	111.1	S630 T631 L632 R637 N638	S630-K634 WeakPolarHBondContact O-CD 3.23Å; S630-K634 WeakPolarHBondContact O-CE 3.41Å; S630-K634 VanDerWaalsContact O-CG 3.23Å; S630-K634 WeakPolarHBondContact O-CG 3.34Å; S630-K634 PolarHBondContact O-N 3.15Å; T631-K634 WeakPolarHBondContact O-CB 3.41Å; T631-K634 PolarHBondContact O-N 3.38Å; T631-K634 VanDerWaalsContact O-N 3.17Å; L632-K634 VanDerWaalsContact C-N 3.25Å; L632-K634 PolarHBondContact O-N 2.96Å; K634-R637 PolarHBondContact O-N 2.96Å; K634-N638 PolarHBondContact O-N 3.06Å
635	M	93.6	Very high	91.1	Very high	13 Å²	13	56.8 Å²	56.8	6%	0.064	31%	0.307	C	S	.	.	H	α-helix	trans	-64.7	-41.1	177.4	-64.3	170	-172.7	0	0	112.3	A606 L607 T631 L632 N638 L642	A606-M635 HydrophobicContact CB-CE 3.77Å; A606-M635 VanDerWaalsContact O-CE 3.28Å; A606-M635 WeakPolarHBondContact O-CE 3.42Å; L607-M635 HydrophobicContact CD2-CE 4.27Å; L607-M635 HydrophobicContact CD2-SD 3.48Å; L607-M635 WeakPolarHBondContact CD2-SD 3.28Å; L607-M635 HydrophobicContact CG-SD 4.25Å; T631-M635 HydrophobicContact CG2-CE 3.7Å; T631-M635 PolarHBondContact O-N 3.06Å; L632-M635 HydrophobicContact CD2-SD 4.08Å; L632-M635 WeakPolarHBondContact O-CB 3.35Å; L632-M635 PolarHBondContact O-N 3.14Å; L632-M635 VanDerWaalsContact O-N 3.1Å; M635-N638 CarbonylContact O-C 3.52Å; M635-N638 PolarHBondContact O-N 3.49Å; M635-N638 VanDerWaalsContact O-O 3.13Å; M635-L642 HydrophobicContact CB-CD1 4.41Å; M635-L642 HydrophobicContact CB-CD2 4.03Å; M635-L642 HydrophobicContact CB-CG 4.24Å; M635-L642 HydrophobicContact CG-CD2 4.26Å; M635-L642 HydrophobicContact SD-CD2 4.11Å
636	I	93.9	Very high	89.6	Confident	56 Å²	56	57.3 Å²	57.3	29%	0.287	31%	0.312	S	S	.	.	H	α-helix	trans	-65	-42.3	176.5	-67.1	167.6	0	0	0	111.2	I473 V476 R480 L632 N638 P639	I473-I636 HydrophobicContact CD1-CB 4.23Å; I473-I636 HydrophobicContact CD1-CG1 3.98Å; I473-I636 HydrophobicContact CD1-CG2 4.29Å; V476-I636 HydrophobicContact CG1-CD1 4.06Å; V476-I636 HydrophobicContact CG1-CG1 3.61Å; R480-I636 HydrophobicContact CB-CD1 3.81Å; R480-I636 HydrophobicContact CG-CD1 3.79Å; L632-I636 WeakPolarHBondContact O-CG1 3.35Å; L632-I636 PolarHBondContact O-N 3.35Å; I636-N638 VanDerWaalsContact C-N 3.32Å; I636-N638 PolarHBondContact O-N 3.2Å; I636-P639 WeakPolarHBondContact O-CD 3.4Å; I636-P639 WeakPolarHBondContact O-CG 3.42Å
637	R	93.8	Very high	87.5	Confident	182 Å²	182	61.8 Å²	61.8	69%	0.687	33%	0.33	S	S	*	.	H	α-helix	trans	-73	-21.3	177.3	-74.2	175.6	-69.2	-171.6	-1.5	113.7	D633 K634	D633-R637 WeakPolarHBondContact O-CB 3.35Å; D633-R637 WeakPolarHBondContact O-CG 3.48Å; D633-R637 PolarHBondContact O-N 3.43Å; D633-R637 PolarHBondContact O-NE 3.39Å; K634-R637 PolarHBondContact O-N 2.96Å
638	N	90.6	Very high	85	Confident	79 Å²	79	63.6 Å²	63.6	42%	0.422	34%	0.339	S	S	.	.			trans	-130.7	80.5	171.2	-177.3	13.7	0	0	0	112.1	K634 M635 I636 T640 S641	K634-N638 PolarHBondContact O-N 3.06Å; M635-N638 CarbonylContact O-C 3.52Å; M635-N638 PolarHBondContact O-N 3.49Å; M635-N638 VanDerWaalsContact O-O 3.13Å; I636-N638 VanDerWaalsContact C-N 3.32Å; I636-N638 PolarHBondContact O-N 3.2Å; N638-T640 PolarHBondContact ND2-OG1 3.31Å; N638-T640 PolarHBondContact O-N 2.87Å; N638-T640 WeakPolarHBondContact OD1-CB 3.23Å; N638-T640 PolarHBondContact OD1-N 3.03Å; N638-T640 PolarHBondContact OD1-OG1 3.06Å; N638-S641 WeakPolarHBondContact O-CB 3.42Å; N638-S641 PolarHBondContact O-N 3.05Å; N638-S641 PolarHBondContact O-OG 3.1Å
639	P	86.5	Confident	82.1	Confident	69 Å²	69	67.2 Å²	67.2	45%	0.448	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-61.7	-11.3	-179.9	-25.1	35.9	0	0	0	114.8	I473 I636 S641 L642	I473-P639 HydrophobicContact CD1-CG 4.49Å; I636-P639 WeakPolarHBondContact O-CD 3.4Å; I636-P639 WeakPolarHBondContact O-CG 3.42Å; P639-S641 PolarHBondContact O-N 3.4Å; P639-L642 PolarHBondContact O-N 3.09Å
640	T	83.3	Confident	79	Confident	84 Å²	84	70.5 Å²	70.5	52%	0.515	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-65.6	-27.6	172.8	71.8	0	0	0	0	112.3	N638 L642 K643	N638-T640 PolarHBondContact ND2-OG1 3.31Å; N638-T640 PolarHBondContact O-N 2.87Å; N638-T640 WeakPolarHBondContact OD1-CB 3.23Å; N638-T640 PolarHBondContact OD1-N 3.03Å; N638-T640 PolarHBondContact OD1-OG1 3.06Å; T640-L642 PolarHBondContact O-N 3.11Å; T640-K643 WeakPolarHBondContact O-CB 3.47Å; T640-K643 PolarHBondContact O-N 2.94Å
641	S	81.8	Confident	75.9	Confident	41 Å²	41	72.6 Å²	72.6	29%	0.287	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-63.6	-23.3	173.6	63.7	0	0	0	0	113.5	N638 P639 K643	N638-S641 WeakPolarHBondContact O-CB 3.42Å; N638-S641 PolarHBondContact O-N 3.05Å; N638-S641 PolarHBondContact O-OG 3.1Å; P639-S641 PolarHBondContact O-N 3.4Å; S641-K643 VanDerWaalsContact C-N 3.32Å
642	L	85.1	Confident	72.7	Confident	20 Å²	20	76 Å²	76	11%	0.105	42%	0.424	C	S	.	.	G	3₁₀ helix	trans	-86.9	4	178.7	-61.4	171	0	0	0	113.3	V472 I473 V476 P604 L607 M635 P639 T640	V472-L642 HydrophobicContact CG1-CB 4.42Å; V472-L642 HydrophobicContact CG1-CD1 4.46Å; I473-L642 HydrophobicContact CD1-CD1 4.1Å; V476-L642 HydrophobicContact CG2-CD1 4.06Å; V476-L642 HydrophobicContact CG2-CD2 4.1Å; P604-L642 HydrophobicContact CB-CB 4.48Å; P604-L642 HydrophobicContact CB-CD2 4.01Å; P604-L642 HydrophobicContact CG-CB 4.17Å; P604-L642 HydrophobicContact CG-CD2 3.97Å; P604-L642 WeakPolarHBondContact CG-O 3.37Å; L607-L642 HydrophobicContact CD1-CD2 4.19Å; L607-L642 HydrophobicContact CG-CD2 4.13Å; M635-L642 HydrophobicContact CB-CD1 4.41Å; M635-L642 HydrophobicContact CB-CD2 4.03Å; M635-L642 HydrophobicContact CB-CG 4.24Å; M635-L642 HydrophobicContact CG-CD2 4.26Å; M635-L642 HydrophobicContact SD-CD2 4.11Å; P639-L642 PolarHBondContact O-N 3.09Å; T640-L642 PolarHBondContact O-N 3.11Å
643	K	80.3	Confident	69.4	Low	164 Å²	164	81.4 Å²	81.4	71%	0.713	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-85.6	-23.1	179.6	-66.9	-175.2	175.1	-172.6	0	114.4	T640 S641 V645	T640-K643 WeakPolarHBondContact O-CB 3.47Å; T640-K643 PolarHBondContact O-N 2.94Å; S641-K643 VanDerWaalsContact C-N 3.32Å; K643-V645 PolarHBondContact O-N 3.48Å
644	A	77.3	Confident	66.3	Low	55 Å²	55	84.9 Å²	84.9	46%	0.455	48%	0.478	S	S	.	.	S	Bend	trans	-81.7	115.5	177.2	0	0	0	0	0	109.2	P604 S605	P604-A644 CarbonylContact C-O 3.59Å; P604-A644 VanDerWaalsContact CA-O 3.23Å; P604-A644 WeakPolarHBondContact CA-O 3.31Å; S605-A644 PolarHBondContact N-O 3.33Å; S605-A644 PolarHBondContact OG-O 2.87Å
645	V	72.3	Confident	63.3	Low	71 Å²	71	86 Å²	86	43%	0.43	50%	0.497	S	S	.	.	B	Isolated β-bridge	trans	-78.1	149	177.2	175.4	0	0	0	0	110.4	D602 K643 N647	D602-V645 HydrophobicContact CB-CG2 4.38Å; K643-V645 PolarHBondContact O-N 3.48Å; V645-N647 PolarHBondContact O-N 2.96Å
646	A	67.3	Low	60.5	Low	15 Å²	15	92 Å²	92	12%	0.124	53%	0.528	C	S	.	.	P	Polyproline II helix	trans	-69.3	116.6	172.3	0	0	0	0	0	110.9	P599 C603 H608	P599-A646 HydrophobicContact CB-CB 3.48Å; P599-A646 VanDerWaalsContact CB-CB 3.48Å; P599-A646 HydrophobicContact CG-CB 3.95Å; C603-A646 WeakPolarHBondContact O-CB 3.1Å; C603-A646 PolarHBondContact O-N 3.43Å; H608-A646 HydrophobicContact CB-CB 4Å
647	N	52.9	Low	57.8	Low	132 Å²	132	93.2 Å²	93.2	71%	0.706	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-70.2	144.8	164.9	-73.3	-9.4	0	0	0	109.5	V645 P649	V645-N647 PolarHBondContact O-N 2.96Å; N647-P649 WeakPolarHBondContact O-CD 3.36Å
648	I	46.1	Very low	54.8	Low	95 Å²	95	91.1 Å²	91.1	49%	0.487	54%	0.537	S	S	.	.	P	Polyproline II helix	trans	-65.5	118.7	167.7	-58.3	173	0	0	0	107.3
649	P	37.9	Very low	52.3	Low	77 Å²	77	93.7 Å²	93.7	50%	0.5	54%	0.541	S	S	.	.	P	Polyproline II helix	trans	-68.9	136.6	176.5	28.7	-33.4	0	0	0	109.7	N647 V651	N647-P649 WeakPolarHBondContact O-CD 3.36Å; P649-V651 PolarHBondContact O-N 3.01Å
650	A	32.7	Very low	49.9	Very low	83 Å²	83	93.9 Å²	93.9	69%	0.686	54%	0.544	S	S	*	.			trans	-69.4	95.9	167.6	0	0	0	0	0	108.6
651	V	32.6	Very low	48	Very low	94 Å²	94	94.5 Å²	94.5	57%	0.57	54%	0.543	S	S	*	.			trans	-63.7	133.8	177.9	-176.8	0	0	0	0	108.8	P649 S653	P649-V651 PolarHBondContact O-N 3.01Å; V651-S653 PolarHBondContact O-N 3.41Å
652	P	29	Very low	46.6	Very low	111 Å²	111	94.1 Å²	94.1	72%	0.721	54%	0.54	S	S	*	.			trans	-56.4	133.5	173	-23.7	34	0	0	0	110.4	Q654	P652-Q654 PolarHBondContact O-N 3.22Å
653	S	28.8	Very low	45.3	Very low	114 Å²	114	96.8 Å²	96.8	80%	0.797	56%	0.555	S	S	*	*			trans	-58.3	95.5	-167.2	56.9	0	0	0	0	113.6	V651	V651-S653 PolarHBondContact O-N 3.41Å
654	Q	31.7	Very low	44.3	Very low	110 Å²	110	89.7 Å²	89.7	51%	0.514	52%	0.524	S	S	.	.			trans	-93.1	142.2	157.2	-69	-167.4	5.8	0	0	109.1	P652 L656 L657	P652-Q654 PolarHBondContact O-N 3.22Å; Q654-L656 PolarHBondContact O-N 3.4Å; Q654-L657 PolarHBondContact O-N 2.98Å
655	P	31.7	Very low	43.5	Very low	141 Å²	141	92.7 Å²	92.7	92%	0.916	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-3.7	-165	-25.1	35.8	0	0	0	117.4
656	L	35.3	Very low	42.9	Very low	139 Å²	139	94.1 Å²	94.1	73%	0.728	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	-12	-176.4	-63.5	173.3	0	0	0	113.9	Q654	Q654-L656 PolarHBondContact O-N 3.4Å
657	L	37.8	Very low	43.2	Very low	82 Å²	82	95 Å²	95	43%	0.429	54%	0.542	S	S	.	.			trans	-145.9	51.4	-165	-70.4	173.8	0	0	0	114.6	Y595 Q654 R659	Y595-L657 HydrophobicContact CD2-CD1 3.27Å; Y595-L657 HydrophobicContact CE2-CD1 3.52Å; Y595-L657 HydrophobicContact CE2-CD2 4.4Å; Y595-L657 HydrophobicContact CG-CD1 4Å; Q654-L657 PolarHBondContact O-N 2.98Å; L657-R659 PolarHBondContact O-N 3.39Å
658	D	29.5	Very low	44	Very low	137 Å²	137	94 Å²	94	73%	0.733	55%	0.546	S	S	*	.			trans	-82	102.1	170	-175	13.7	0	0	0	112
659	R	38.6	Very low	45.7	Very low	133 Å²	133	91 Å²	91	50%	0.502	53%	0.533	S	S	.	.			trans	-148.8	74.7	174.7	-73	-171	149.6	-99.3	-7.3	112	L657 A675 A676	L657-R659 PolarHBondContact O-N 3.39Å; R659-A675 PolarHBondContact NH2-O 3.03Å; R659-A676 PolarHBondContact NH1-O 3.4Å
660	S	35.2	Very low	48	Very low	74 Å²	74	87.4 Å²	87.4	52%	0.517	51%	0.51	S	S	.	.	P	Polyproline II helix	trans	-72.3	167.7	163.9	56.5	0	0	0	0	112.1	P662	S660-P662 WeakPolarHBondContact O-CD 3.47Å
661	I	43.3	Very low	50.3	Low	96 Å²	96	87 Å²	87	49%	0.492	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-67.7	122.3	173.4	-61.2	174.6	0	0	0	108
662	P	53.1	Low	52.6	Low	34 Å²	34	85.4 Å²	85.4	22%	0.221	48%	0.482	C	S	.	.	P	Polyproline II helix	trans	-67.1	138.8	-177.1	-20.8	33.4	0	0	0	112.8	S660 F664 F667 A676	S660-P662 WeakPolarHBondContact O-CD 3.47Å; P662-F664 VanDerWaalsContact O-CD2 3.3Å; P662-F664 WeakPolarHBondContact O-CD2 3.24Å; P662-F664 PolarHBondContact O-N 3.46Å; P662-F667 HydrophobicContact CB-CE1 4.17Å; P662-F667 HydrophobicContact CB-CE2 3.56Å; P662-F667 HydrophobicContact CB-CZ 3.22Å; P662-F667 HydrophobicContact CG-CE2 4.24Å; P662-F667 HydrophobicContact CG-CZ 3.65Å; P662-A676 HydrophobicContact CG-CB 4.09Å
663	D	57.5	Low	55.3	Low	76 Å²	76	80.1 Å²	80.1	41%	0.406	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-71.3	117.9	162.3	176.3	-4.1	0	0	0	108.2	N665 T666	D663-N665 PolarHBondContact O-N 2.83Å; D663-N665 VanDerWaalsContact O-N 3.13Å; D663-N665 WeakPolarHBondContact OD1-CB 3.49Å; D663-N665 PolarHBondContact OD1-N 2.81Å; D663-N665 PolarHBondContact OD1-ND2 3.19Å; D663-T666 HydrophobicContact CB-CG2 3.97Å; D663-T666 WeakPolarHBondContact O-CB 3.04Å; D663-T666 PolarHBondContact O-N 3.08Å; D663-T666 PolarHBondContact O-OG1 2.91Å
664	F	60.7	Low	57.8	Low	15 Å²	15	74.7 Å²	74.7	7%	0.066	41%	0.41	C	S	.	.	G	3₁₀ helix	trans	-68.9	-12.8	-173.7	-68.8	-105.1	0	0	0	112.9	P662 T666 F667 W673 N722 M726 Q729	P662-F664 VanDerWaalsContact O-CD2 3.3Å; P662-F664 WeakPolarHBondContact O-CD2 3.24Å; P662-F664 PolarHBondContact O-N 3.46Å; F664-T666 VanDerWaalsContact C-N 3.27Å; F664-F667 HydrophobicContact CD1-CD2 4.32Å; F664-F667 HydrophobicContact CD1-CE2 4.26Å; F664-W673 AromaticContact CE1-CD1 3.72Å; F664-W673 AromaticContact CE1-NE1 3.52Å; F664-N722 HydrophobicContact CZ-CB 4.45Å; F664-M726 HydrophobicContact CD1-CB 3.83Å; F664-M726 HydrophobicContact CD1-CE 3.72Å; F664-M726 HydrophobicContact CD1-CG 3.82Å; F664-M726 HydrophobicContact CE1-CB 3.92Å; F664-M726 HydrophobicContact CE1-CE 3.84Å; F664-M726 HydrophobicContact CE1-CG 4.36Å; F664-M726 HydrophobicContact CG-CB 4.45Å; F664-M726 HydrophobicContact CG-CG 4.42Å; F664-Q729 VanDerWaalsContact CD2-OE1 3.25Å
665	N	59.6	Low	59.8	Low	117 Å²	117	71.4 Å²	71.4	63%	0.626	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-75.3	-12.6	170	-56.6	-73.9	0	0	0	113.3	D663	D663-N665 PolarHBondContact O-N 2.83Å; D663-N665 VanDerWaalsContact O-N 3.13Å; D663-N665 WeakPolarHBondContact OD1-CB 3.49Å; D663-N665 PolarHBondContact OD1-N 2.81Å; D663-N665 PolarHBondContact OD1-ND2 3.19Å
666	T	59.8	Low	61.6	Low	101 Å²	101	65.8 Å²	65.8	62%	0.62	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-87	-11.5	177.9	65.3	0	0	0	0	113.7	D663 F664	D663-T666 HydrophobicContact CB-CG2 3.97Å; D663-T666 WeakPolarHBondContact O-CB 3.04Å; D663-T666 PolarHBondContact O-N 3.08Å; D663-T666 PolarHBondContact O-OG1 2.91Å; F664-T666 VanDerWaalsContact C-N 3.27Å
667	F	72.8	Confident	63.5	Low	33 Å²	33	59.8 Å²	59.8	15%	0.145	34%	0.335	C	S	.	.			trans	-86.4	127.8	179	-65.8	-48.2	0	0	0	112.1	P662 F664 D672 W673 A676 L694	P662-F667 HydrophobicContact CB-CE1 4.17Å; P662-F667 HydrophobicContact CB-CE2 3.56Å; P662-F667 HydrophobicContact CB-CZ 3.22Å; P662-F667 HydrophobicContact CG-CE2 4.24Å; P662-F667 HydrophobicContact CG-CZ 3.65Å; F664-F667 HydrophobicContact CD1-CD2 4.32Å; F664-F667 HydrophobicContact CD1-CE2 4.26Å; F667-D672 HydrophobicContact CB-CB 4.4Å; F667-D672 HydrophobicContact CD1-CB 3.71Å; F667-D672 HydrophobicContact CE1-CB 4.44Å; F667-D672 HydrophobicContact CG-CB 4.41Å; F667-W673 HydrophobicContact CD2-CB 3.87Å; F667-W673 HydrophobicContact CD2-CG 4.39Å; F667-W673 HydrophobicContact CE2-CB 4.09Å; F667-W673 AromaticContact CE2-CD1 3.76Å; F667-W673 HydrophobicContact CE2-CG 4.35Å; F667-W673 HydrophobicContact CG-CB 4.12Å; F667-A676 HydrophobicContact CE1-CB 3.49Å; F667-A676 VanDerWaalsContact CE1-CB 3.49Å; F667-A676 HydrophobicContact CE2-CB 4.49Å; F667-A676 HydrophobicContact CZ-CB 3.31Å; F667-L694 HydrophobicContact CB-CD1 3.57Å
668	S	70.3	Confident	64.6	Low	112 Å²	112	59.4 Å²	59.4	78%	0.783	33%	0.33	S	S	*	.	S	Bend	trans	-84	-25.5	175.5	79.7	0	0	0	0	112.7	D672	S668-D672 PolarHBondContact N-OD2 3.21Å; S668-D672 VanDerWaalsContact N-OD2 3.15Å; S668-D672 PolarHBondContact OG-OD2 2.71Å
669	S	82.6	Confident	66.9	Low	32 Å²	32	53.1 Å²	53.1	22%	0.224	30%	0.296	C	S	.	.	S	Bend	trans	-145.4	165.6	-170.5	72.7	0	0	0	0	113.5	E671 D672 W673	S669-E671 PolarHBondContact O-N 3.47Å; S669-E671 PolarHBondContact OG-N 3.39Å; S669-D672 WeakPolarHBondContact CB-OD2 3.47Å; S669-D672 PolarHBondContact N-OD2 3.2Å; S669-D672 PolarHBondContact OG-N 3.24Å; S669-D672 VanDerWaalsContact OG-N 3.07Å; S669-D672 PolarHBondContact OG-OD1 2.83Å; S669-D672 PolarHBondContact OG-OD2 3.39Å; S669-W673 PolarHBondContact O-N 3.48Å
670	V	85.3	Confident	68.8	Low	2 Å²	2	49.9 Å²	49.9	1%	0.012	30%	0.295	C	S	.	.	H	α-helix	trans	-65	-28	170.7	175.4	0	0	0	0	111.5	W673 L674 F686 L694 V697	V670-W673 HydrophobicContact CG1-CE3 4.1Å; V670-W673 HydrophobicContact CG1-CZ3 4.31Å; V670-L674 HydrophobicContact CG1-CD1 3.97Å; V670-L674 HydrophobicContact CG1-CG 4.31Å; V670-L674 WeakPolarHBondContact O-CB 3.32Å; V670-L674 VanDerWaalsContact O-CG 3.28Å; V670-L674 WeakPolarHBondContact O-CG 3.17Å; V670-L674 PolarHBondContact O-N 3.48Å; V670-F686 HydrophobicContact CG1-CB 4.19Å; V670-F686 HydrophobicContact CG1-CD1 3.99Å; V670-F686 HydrophobicContact CG1-CG 4.43Å; V670-L694 HydrophobicContact CG2-CD2 4.25Å; V670-V697 HydrophobicContact CB-CG2 4.34Å; V670-V697 HydrophobicContact CG1-CG2 3.76Å; V670-V697 HydrophobicContact CG2-CG2 3.61Å
671	E	81.7	Confident	70.6	Confident	73 Å²	73	51.9 Å²	51.9	34%	0.341	30%	0.295	S	S	.	.	H	α-helix	trans	-68.8	-47.4	177.3	176.9	176.6	-21.4	0	0	111.9	S669 W673 L674 A675 R683	S669-E671 PolarHBondContact O-N 3.47Å; S669-E671 PolarHBondContact OG-N 3.39Å; E671-W673 VanDerWaalsContact C-N 3.29Å; E671-W673 PolarHBondContact O-N 3.3Å; E671-L674 PolarHBondContact O-N 2.99Å; E671-A675 WeakPolarHBondContact O-CB 3.39Å; E671-A675 PolarHBondContact O-N 3.07Å; E671-R683 VanDerWaalsContact CD-NH1 3.34Å; E671-R683 HydrophobicContact CG-CG 4.46Å; E671-R683 IonicContact OE1-CZ 2.63Å; E671-R683 IonicContact OE1-NE 3.12Å; E671-R683 PolarHBondContact OE1-NE 3.03Å; E671-R683 IonicContact OE1-NH1 2.66Å; E671-R683 IonicContact OE1-NH2 3.41Å; E671-R683 PolarHBondContact OE1-NH2 2.77Å; E671-R683 IonicContact OE2-CZ 2.64Å; E671-R683 IonicContact OE2-NE 2.78Å; E671-R683 IonicContact OE2-NH1 2.69Å; E671-R683 PolarHBondContact OE2-NH1 3.25Å; E671-R683 IonicContact OE2-NH2 2.68Å; E671-R683 PolarHBondContact OE2-NH2 2.99Å; E671-R683 VanDerWaalsContact OE2-NH2 3.08Å
672	D	81.2	Confident	72.5	Confident	61 Å²	61	48.4 Å²	48.4	33%	0.326	28%	0.276	S	S	.	.	H	α-helix	trans	-56.7	-46.3	175.9	-53.8	-43.6	0	0	0	110.6	F667 S668 S669 A675 A676	F667-D672 HydrophobicContact CB-CB 4.4Å; F667-D672 HydrophobicContact CD1-CB 3.71Å; F667-D672 HydrophobicContact CE1-CB 4.44Å; F667-D672 HydrophobicContact CG-CB 4.41Å; S668-D672 PolarHBondContact N-OD2 3.21Å; S668-D672 VanDerWaalsContact N-OD2 3.15Å; S668-D672 PolarHBondContact OG-OD2 2.71Å; S669-D672 WeakPolarHBondContact CB-OD2 3.47Å; S669-D672 PolarHBondContact N-OD2 3.2Å; S669-D672 PolarHBondContact OG-N 3.24Å; S669-D672 VanDerWaalsContact OG-N 3.07Å; S669-D672 PolarHBondContact OG-OD1 2.83Å; S669-D672 PolarHBondContact OG-OD2 3.39Å; D672-A675 PolarHBondContact O-N 2.93Å; D672-A676 WeakPolarHBondContact O-CB 3.46Å; D672-A676 PolarHBondContact O-N 2.93Å
673	W	85.5	Confident	74	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-64.2	-47.9	178.3	167.1	68.6	0	0	0	112.3	F664 F667 S669 V670 E671 A675 A676 I677 F686 L694 V697 I719 N722 V723 M726	F664-W673 AromaticContact CE1-CD1 3.72Å; F664-W673 AromaticContact CE1-NE1 3.52Å; F667-W673 HydrophobicContact CD2-CB 3.87Å; F667-W673 HydrophobicContact CD2-CG 4.39Å; F667-W673 HydrophobicContact CE2-CB 4.09Å; F667-W673 AromaticContact CE2-CD1 3.76Å; F667-W673 HydrophobicContact CE2-CG 4.35Å; F667-W673 HydrophobicContact CG-CB 4.12Å; S669-W673 PolarHBondContact O-N 3.48Å; V670-W673 HydrophobicContact CG1-CE3 4.1Å; V670-W673 HydrophobicContact CG1-CZ3 4.31Å; E671-W673 VanDerWaalsContact C-N 3.29Å; E671-W673 PolarHBondContact O-N 3.3Å; W673-A675 VanDerWaalsContact C-N 3.3Å; W673-A675 PolarHBondContact O-N 3.03Å; W673-A676 PolarHBondContact O-N 3.19Å; W673-I677 HydrophobicContact CH2-CD1 4.35Å; W673-I677 HydrophobicContact CZ2-CD1 3.87Å; W673-I677 WeakPolarHBondContact O-CG1 3.43Å; W673-I677 PolarHBondContact O-N 3.07Å; W673-F686 HydrophobicContact CH2-CE1 4.11Å; W673-F686 HydrophobicContact CZ3-CD1 4.24Å; W673-F686 AromaticContact CZ3-CE1 3.75Å; W673-F686 HydrophobicContact CZ3-CE1 3.75Å; W673-F686 HydrophobicContact CZ3-CZ 4.46Å; W673-L694 HydrophobicContact CB-CD2 3.64Å; W673-L694 HydrophobicContact CD2-CD2 4.28Å; W673-L694 HydrophobicContact CE3-CD2 4.44Å; W673-L694 HydrophobicContact CG-CD2 3.96Å; W673-V697 HydrophobicContact CE3-CG1 3.98Å; W673-V697 HydrophobicContact CH2-CG1 3.35Å; W673-V697 HydrophobicContact CZ2-CG1 3.99Å; W673-V697 HydrophobicContact CZ3-CB 4.42Å; W673-V697 HydrophobicContact CZ3-CG1 3.38Å; W673-V697 HydrophobicContact CZ3-CG2 4.18Å; W673-I719 HydrophobicContact CH2-CG2 3.6Å; W673-I719 HydrophobicContact CZ2-CG2 4.28Å; W673-N722 HydrophobicContact CZ2-CB 3.96Å; W673-V723 HydrophobicContact CH2-CG2 3.94Å; W673-V723 HydrophobicContact CZ2-CG2 4.03Å; W673-M726 HydrophobicContact CD2-CE 3.87Å; W673-M726 HydrophobicContact CG-CE 4.07Å; W673-M726 HydrophobicContact CZ2-CE 3.96Å
674	L	81.1	Confident	74.9	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-59.9	-40.1	176.2	-77.1	173.1	0	0	0	111.5	V670 E671 I677 K678 M679 S680 F686	V670-L674 HydrophobicContact CG1-CD1 3.97Å; V670-L674 HydrophobicContact CG1-CG 4.31Å; V670-L674 WeakPolarHBondContact O-CB 3.32Å; V670-L674 VanDerWaalsContact O-CG 3.28Å; V670-L674 WeakPolarHBondContact O-CG 3.17Å; V670-L674 PolarHBondContact O-N 3.48Å; E671-L674 PolarHBondContact O-N 2.99Å; L674-I677 HydrophobicContact CD2-CD1 4.38Å; L674-I677 PolarHBondContact O-N 2.76Å; L674-K678 PolarHBondContact O-N 3.17Å; L674-M679 HydrophobicContact CD2-CB 3.83Å; L674-M679 CarbonylContact O-C 3.45Å; L674-M679 WeakPolarHBondContact O-CA 3.47Å; L674-M679 PolarHBondContact O-N 3.5Å; L674-S680 PolarHBondContact O-N 3.23Å; L674-F686 HydrophobicContact CD1-CB 4.23Å; L674-F686 HydrophobicContact CD1-CD1 4.36Å; L674-F686 HydrophobicContact CD1-CD2 4.14Å; L674-F686 HydrophobicContact CD1-CG 3.98Å; L674-F686 HydrophobicContact CD2-CE1 4.45Å; L674-F686 HydrophobicContact CD2-CE2 4.3Å; L674-F686 HydrophobicContact CD2-CZ 4.25Å
675	A	73.8	Confident	76.2	Confident	42 Å²	42	52.9 Å²	52.9	35%	0.347	29%	0.294	S	S	.	.	H	α-helix	trans	-65.8	-43.5	175.2	0	0	0	0	0	112.4	R659 E671 D672 W673 I677 K678 S680	R659-A675 PolarHBondContact NH2-O 3.03Å; E671-A675 WeakPolarHBondContact O-CB 3.39Å; E671-A675 PolarHBondContact O-N 3.07Å; D672-A675 PolarHBondContact O-N 2.93Å; W673-A675 VanDerWaalsContact C-N 3.3Å; W673-A675 PolarHBondContact O-N 3.03Å; A675-I677 VanDerWaalsContact C-N 3.31Å; A675-I677 PolarHBondContact O-N 3.19Å; A675-K678 PolarHBondContact O-N 3.03Å; A675-K678 VanDerWaalsContact O-N 3.09Å; A675-S680 WeakPolarHBondContact CA-OG 3.27Å
676	A	70.2	Confident	77.8	Confident	23 Å²	23	47.3 Å²	47.3	19%	0.19	26%	0.264	C	S	.	.	H	α-helix	trans	-60.5	-38.4	175.6	0	0	0	0	0	112.2	R659 P662 F667 D672 W673 K678	R659-A676 PolarHBondContact NH1-O 3.4Å; P662-A676 HydrophobicContact CG-CB 4.09Å; F667-A676 HydrophobicContact CE1-CB 3.49Å; F667-A676 VanDerWaalsContact CE1-CB 3.49Å; F667-A676 HydrophobicContact CE2-CB 4.49Å; F667-A676 HydrophobicContact CZ-CB 3.31Å; D672-A676 WeakPolarHBondContact O-CB 3.46Å; D672-A676 PolarHBondContact O-N 2.93Å; W673-A676 PolarHBondContact O-N 3.19Å; A676-K678 VanDerWaalsContact C-N 3.27Å; A676-K678 PolarHBondContact O-N 2.69Å
677	I	73.2	Confident	79	Confident	12 Å²	12	45.1 Å²	45.1	6%	0.062	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	10.4	176.8	71	168.6	0	0	0	114.3	W673 L674 A675 M679 K718 I719 N722	W673-I677 HydrophobicContact CH2-CD1 4.35Å; W673-I677 HydrophobicContact CZ2-CD1 3.87Å; W673-I677 WeakPolarHBondContact O-CG1 3.43Å; W673-I677 PolarHBondContact O-N 3.07Å; L674-I677 HydrophobicContact CD2-CD1 4.38Å; L674-I677 PolarHBondContact O-N 2.76Å; A675-I677 VanDerWaalsContact C-N 3.31Å; A675-I677 PolarHBondContact O-N 3.19Å; I677-M679 VanDerWaalsContact C-N 3.34Å; I677-M679 HydrophobicContact CD1-CB 4.06Å; I677-M679 HydrophobicContact CD1-CG 3.7Å; I677-M679 HydrophobicContact CG1-CB 3.82Å; I677-M679 HydrophobicContact CG1-CG 3.66Å; I677-M679 PolarHBondContact O-N 2.94Å; I677-K718 WeakPolarHBondContact O-CE 3.19Å; I677-K718 PolarHBondContact O-NZ 3.28Å; I677-I719 HydrophobicContact CD1-CG1 4.07Å; I677-N722 HydrophobicContact CD1-CB 4.46Å; I677-N722 HydrophobicContact CG2-CB 4.37Å; I677-N722 WeakPolarHBondContact CG2-OD1 3.08Å
678	K	61.5	Low	79.6	Confident	75 Å²	75	50.1 Å²	50.1	33%	0.326	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	45	-171.7	-68.1	-160.9	176.3	-174	0	112.6	W580 D581 L674 A675 A676	W580-K678 HydrophobicContact CH2-CD 4.01Å; W580-K678 HydrophobicContact CZ2-CD 4.13Å; D581-K678 IonicContact OD2-NZ 2.75Å; D581-K678 PolarHBondContact OD2-NZ 3.4Å; L674-K678 PolarHBondContact O-N 3.17Å; A675-K678 PolarHBondContact O-N 3.03Å; A675-K678 VanDerWaalsContact O-N 3.09Å; A676-K678 VanDerWaalsContact C-N 3.27Å; A676-K678 PolarHBondContact O-N 2.69Å
679	M	79.3	Confident	80.3	Confident	4 Å²	4	47.2 Å²	47.2	2%	0.02	26%	0.256	C	S	.	.			trans	-123	20.2	176.8	-64.3	-80.2	89.3	0	0	112.7	L674 I677 Q681 Y682 H715 K718 I719	L674-M679 HydrophobicContact CD2-CB 3.83Å; L674-M679 CarbonylContact O-C 3.45Å; L674-M679 WeakPolarHBondContact O-CA 3.47Å; L674-M679 PolarHBondContact O-N 3.5Å; I677-M679 VanDerWaalsContact C-N 3.34Å; I677-M679 HydrophobicContact CD1-CB 4.06Å; I677-M679 HydrophobicContact CD1-CG 3.7Å; I677-M679 HydrophobicContact CG1-CB 3.82Å; I677-M679 HydrophobicContact CG1-CG 3.66Å; I677-M679 PolarHBondContact O-N 2.94Å; M679-Q681 PolarHBondContact O-N 3.03Å; M679-Y682 HydrophobicContact CB-CD2 4.35Å; M679-Y682 PolarHBondContact O-N 2.76Å; M679-Y682 HydrophobicContact SD-CD2 4.17Å; M679-Y682 HydrophobicContact SD-CE2 4.12Å; M679-H715 HydrophobicContact CE-CB 4.46Å; M679-H715 HydrophobicContact SD-CB 3.87Å; M679-K718 HydrophobicContact CE-CD 4.05Å; M679-K718 HydrophobicContact CG-CD 4.21Å; M679-K718 HydrophobicContact SD-CD 4Å; M679-I719 HydrophobicContact CB-CG1 4.47Å; M679-I719 HydrophobicContact CG-CD1 4.34Å; M679-I719 HydrophobicContact CG-CG1 3.96Å; M679-I719 HydrophobicContact SD-CD1 4.15Å; M679-I719 HydrophobicContact SD-CG1 4.1Å
680	S	78.2	Confident	80.4	Confident	66 Å²	66	47.7 Å²	47.7	46%	0.462	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-52	-29.1	-178.2	-35.9	0	0	0	0	114.2	L674 A675 Y682 R683	L674-S680 PolarHBondContact O-N 3.23Å; A675-S680 WeakPolarHBondContact CA-OG 3.27Å; S680-Y682 PolarHBondContact O-N 2.62Å; S680-R683 WeakPolarHBondContact O-CB 3.47Å; S680-R683 PolarHBondContact O-N 3.39Å
681	Q	73.3	Confident	80.6	Confident	115 Å²	115	48.7 Å²	48.7	54%	0.537	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-58.3	-12.9	174.3	70.3	-142.2	27.2	0	0	114.8	M679 H715	M679-Q681 PolarHBondContact O-N 3.03Å; Q681-H715 PolarHBondContact NE2-CE1 3.05Å; Q681-H715 PolarHBondContact NE2-ND1 2.84Å
682	Y	81.3	Confident	80.9	Confident	23 Å²	23	49.3 Å²	49.3	9%	0.09	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-108	7.2	175	-60.7	-62.3	0	0	0	113.5	M679 S680 D684 N685 F686 V710 H715 I719	M679-Y682 HydrophobicContact CB-CD2 4.35Å; M679-Y682 PolarHBondContact O-N 2.76Å; M679-Y682 HydrophobicContact SD-CD2 4.17Å; M679-Y682 HydrophobicContact SD-CE2 4.12Å; S680-Y682 PolarHBondContact O-N 2.62Å; Y682-D684 VanDerWaalsContact C-N 3.35Å; Y682-D684 PolarHBondContact O-N 2.94Å; Y682-N685 WeakPolarHBondContact O-CB 3.19Å; Y682-N685 PolarHBondContact O-N 2.92Å; Y682-F686 WeakPolarHBondContact O-CD2 3.24Å; Y682-F686 PolarHBondContact O-N 3.16Å; Y682-F686 VanDerWaalsContact O-N 3.11Å; Y682-V710 HydrophobicContact CD1-CG2 3.84Å; Y682-V710 HydrophobicContact CD2-CG1 4.37Å; Y682-V710 HydrophobicContact CD2-CG2 4.39Å; Y682-V710 HydrophobicContact CE1-CB 4.32Å; Y682-V710 HydrophobicContact CE1-CG1 4.21Å; Y682-V710 HydrophobicContact CE1-CG2 4.15Å; Y682-V710 HydrophobicContact CE2-CG1 3.97Å; Y682-V710 HydrophobicContact CG-CG2 3.97Å; Y682-H715 HydrophobicContact CE2-CB 3.78Å; Y682-H715 AromaticContact CE2-CG 3.88Å; Y682-H715 AromaticContact CE2-ND1 3.48Å; Y682-H715 WeakPolarHBondContact CE2-ND1 3.39Å; Y682-H715 AromaticContact CZ-ND1 3.62Å; Y682-H715 PolarHBondContact OH-ND1 2.87Å; Y682-I719 HydrophobicContact CD2-CD1 4.19Å
683	R	84.8	Confident	81.2	Confident	73 Å²	73	48.5 Å²	48.5	28%	0.275	28%	0.278	S	S	.	.	H	α-helix	trans	-45.7	-57.6	177.4	172.4	-169.9	174.9	159.8	4.2	111.7	E671 S680 N685 F686 L687	E671-R683 VanDerWaalsContact CD-NH1 3.34Å; E671-R683 HydrophobicContact CG-CG 4.46Å; E671-R683 IonicContact OE1-CZ 2.63Å; E671-R683 IonicContact OE1-NE 3.12Å; E671-R683 PolarHBondContact OE1-NE 3.03Å; E671-R683 IonicContact OE1-NH1 2.66Å; E671-R683 IonicContact OE1-NH2 3.41Å; E671-R683 PolarHBondContact OE1-NH2 2.77Å; E671-R683 IonicContact OE2-CZ 2.64Å; E671-R683 IonicContact OE2-NE 2.78Å; E671-R683 IonicContact OE2-NH1 2.69Å; E671-R683 PolarHBondContact OE2-NH1 3.25Å; E671-R683 IonicContact OE2-NH2 2.68Å; E671-R683 PolarHBondContact OE2-NH2 2.99Å; E671-R683 VanDerWaalsContact OE2-NH2 3.08Å; S680-R683 WeakPolarHBondContact O-CB 3.47Å; S680-R683 PolarHBondContact O-N 3.39Å; R683-N685 VanDerWaalsContact C-N 3.33Å; R683-N685 PolarHBondContact O-N 3.29Å; R683-F686 PolarHBondContact O-N 3.15Å; R683-L687 HydrophobicContact CG-CD1 3.89Å; R683-L687 WeakPolarHBondContact O-CG 3.27Å; R683-L687 PolarHBondContact O-N 3.25Å; R683-L687 VanDerWaalsContact O-N 3.07Å
684	D	76.5	Confident	81.1	Confident	95 Å²	95	49.7 Å²	49.7	51%	0.508	29%	0.285	S	S	.	.	H	α-helix	trans	-71	-32.9	-173.1	-56.1	-32.2	0	0	0	111.3	Y682 F686 L687 N688	Y682-D684 VanDerWaalsContact C-N 3.35Å; Y682-D684 PolarHBondContact O-N 2.94Å; D684-F686 VanDerWaalsContact C-N 3.3Å; D684-F686 PolarHBondContact O-N 2.88Å; D684-L687 PolarHBondContact O-N 2.03Å; D684-N688 WeakPolarHBondContact O-CB 3.48Å; D684-N688 PolarHBondContact O-N 2.89Å; D684-N688 PolarHBondContact O-ND2 2.75Å
685	N	89.5	Confident	81.2	Confident	51 Å²	51	55.9 Å²	55.9	27%	0.273	31%	0.314	S	S	.	.	H	α-helix	trans	-57.8	-41.7	173.2	-59.9	72.5	0	0	0	112	Y682 R683 S689 I708	Y682-N685 WeakPolarHBondContact O-CB 3.19Å; Y682-N685 PolarHBondContact O-N 2.92Å; R683-N685 VanDerWaalsContact C-N 3.33Å; R683-N685 PolarHBondContact O-N 3.29Å; N685-S689 VanDerWaalsContact O-CB 3.22Å; N685-S689 WeakPolarHBondContact O-CB 3.28Å; N685-S689 PolarHBondContact O-OG 2.82Å; N685-I708 HydrophobicContact CB-CB 4.47Å; N685-I708 HydrophobicContact CB-CG1 4.37Å; N685-I708 WeakPolarHBondContact CB-O 3.5Å; N685-I708 PolarHBondContact ND2-O 2.86Å
686	F	91.9	Very high	81.8	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-72.4	-51.9	178.6	-82.8	-119.4	0	0	0	111.3	V670 W673 L674 Y682 R683 D684 S689 G690 F691 V697 M700 L705 I708 V710 I719	V670-F686 HydrophobicContact CG1-CB 4.19Å; V670-F686 HydrophobicContact CG1-CD1 3.99Å; V670-F686 HydrophobicContact CG1-CG 4.43Å; W673-F686 HydrophobicContact CH2-CE1 4.11Å; W673-F686 HydrophobicContact CZ3-CD1 4.24Å; W673-F686 AromaticContact CZ3-CE1 3.75Å; W673-F686 HydrophobicContact CZ3-CE1 3.75Å; W673-F686 HydrophobicContact CZ3-CZ 4.46Å; L674-F686 HydrophobicContact CD1-CB 4.23Å; L674-F686 HydrophobicContact CD1-CD1 4.36Å; L674-F686 HydrophobicContact CD1-CD2 4.14Å; L674-F686 HydrophobicContact CD1-CG 3.98Å; L674-F686 HydrophobicContact CD2-CE1 4.45Å; L674-F686 HydrophobicContact CD2-CE2 4.3Å; L674-F686 HydrophobicContact CD2-CZ 4.25Å; Y682-F686 WeakPolarHBondContact O-CD2 3.24Å; Y682-F686 PolarHBondContact O-N 3.16Å; Y682-F686 VanDerWaalsContact O-N 3.11Å; R683-F686 PolarHBondContact O-N 3.15Å; D684-F686 VanDerWaalsContact C-N 3.3Å; D684-F686 PolarHBondContact O-N 2.88Å; F686-S689 PolarHBondContact O-N 2.68Å; F686-G690 PolarHBondContact O-N 3.38Å; F686-F691 HydrophobicContact CB-CB 4.26Å; F686-F691 HydrophobicContact CD1-CB 4.07Å; F686-F691 PolarHBondContact O-N 3.13Å; F686-V697 HydrophobicContact CD1-CG2 3.98Å; F686-V697 HydrophobicContact CE1-CG2 4.29Å; F686-M700 HydrophobicContact CD1-CE 4.18Å; F686-M700 HydrophobicContact CD1-SD 3.94Å; F686-M700 HydrophobicContact CE1-CE 3.66Å; F686-M700 HydrophobicContact CE1-SD 3.43Å; F686-M700 WeakPolarHBondContact CE1-SD 3.39Å; F686-M700 HydrophobicContact CZ-CE 3.93Å; F686-M700 HydrophobicContact CZ-SD 4.22Å; F686-L705 HydrophobicContact CE1-CD2 4.32Å; F686-L705 HydrophobicContact CE2-CD2 4.03Å; F686-L705 HydrophobicContact CZ-CD2 3.49Å; F686-L705 VanDerWaalsContact CZ-CD2 3.49Å; F686-I708 HydrophobicContact CD2-CD1 3.46Å; F686-I708 VanDerWaalsContact CD2-CD1 3.46Å; F686-I708 HydrophobicContact CE2-CD1 3.5Å; F686-I708 VanDerWaalsContact CE2-CD1 3.5Å; F686-I708 HydrophobicContact CG-CD1 4Å; F686-I708 HydrophobicContact CZ-CD1 4.04Å; F686-V710 HydrophobicContact CE2-CG2 4.07Å; F686-I719 HydrophobicContact CE1-CG2 4.06Å; F686-I719 HydrophobicContact CE2-CD1 4.04Å; F686-I719 HydrophobicContact CZ-CD1 3.9Å; F686-I719 HydrophobicContact CZ-CG2 3.55Å
687	L	85.7	Confident	82.6	Confident	55 Å²	55	56.2 Å²	56.2	29%	0.288	31%	0.306	S	S	.	.	H	α-helix	trans	-64.2	-46.5	-175.1	-63.7	177.5	0	0	0	112.1	R683 D684 S689 G690 T692	R683-L687 HydrophobicContact CG-CD1 3.89Å; R683-L687 WeakPolarHBondContact O-CG 3.27Å; R683-L687 PolarHBondContact O-N 3.25Å; R683-L687 VanDerWaalsContact O-N 3.07Å; D684-L687 PolarHBondContact O-N 2.03Å; L687-S689 PolarHBondContact O-N 2.91Å; L687-G690 PolarHBondContact O-N 3.09Å; L687-G690 VanDerWaalsContact O-N 3.16Å; L687-T692 HydrophobicContact CD2-CG2 4.21Å
688	N	84.9	Confident	83.3	Confident	139 Å²	139	56.1 Å²	56.1	74%	0.743	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-18	178.4	-66.8	-37	0	0	0	113.2	D684	D684-N688 WeakPolarHBondContact O-CB 3.48Å; D684-N688 PolarHBondContact O-N 2.89Å; D684-N688 PolarHBondContact O-ND2 2.75Å
689	S	85.3	Confident	84.5	Confident	51 Å²	51	58.9 Å²	58.9	36%	0.357	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	10.4	178.9	-53.8	0	0	0	0	113.5	N685 F686 L687 I708	N685-S689 VanDerWaalsContact O-CB 3.22Å; N685-S689 WeakPolarHBondContact O-CB 3.28Å; N685-S689 PolarHBondContact O-OG 2.82Å; F686-S689 PolarHBondContact O-N 2.68Å; L687-S689 PolarHBondContact O-N 2.91Å; S689-I708 WeakPolarHBondContact OG-CB 3.43Å; S689-I708 WeakPolarHBondContact OG-CG2 3.17Å
690	G	85.1	Confident	84.8	Confident	42 Å²	42	58.7 Å²	58.7	43%	0.433	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.3	1	175.8	0	0	0	0	0	115.6	F686 L687 T692	F686-G690 PolarHBondContact O-N 3.38Å; L687-G690 PolarHBondContact O-N 3.09Å; L687-G690 VanDerWaalsContact O-N 3.16Å; G690-T692 PolarHBondContact O-N 3.43Å
691	F	88.4	Confident	85.2	Confident	23 Å²	23	58.7 Å²	58.7	10%	0.101	32%	0.317	C	S	.	.			trans	-83.3	66.1	175.5	-61.3	-67.2	0	0	0	110.4	F686 L696 V697 M700 D704 I708	F686-F691 HydrophobicContact CB-CB 4.26Å; F686-F691 HydrophobicContact CD1-CB 4.07Å; F686-F691 PolarHBondContact O-N 3.13Å; F691-L696 HydrophobicContact CD1-CB 4.38Å; F691-V697 HydrophobicContact CB-CG2 4.02Å; F691-M700 HydrophobicContact CB-SD 4.21Å; F691-M700 HydrophobicContact CD1-CE 4.31Å; F691-M700 HydrophobicContact CD1-CG 3.5Å; F691-M700 VanDerWaalsContact CD1-CG 3.5Å; F691-M700 HydrophobicContact CD1-SD 3.78Å; F691-M700 HydrophobicContact CD2-CE 3.63Å; F691-M700 HydrophobicContact CD2-CG 4.47Å; F691-M700 HydrophobicContact CD2-SD 4.08Å; F691-M700 HydrophobicContact CE1-CE 4.39Å; F691-M700 HydrophobicContact CE1-CG 3.38Å; F691-M700 HydrophobicContact CE1-SD 4.17Å; F691-M700 HydrophobicContact CE2-CE 3.71Å; F691-M700 HydrophobicContact CE2-CG 4.36Å; F691-M700 HydrophobicContact CE2-SD 4.43Å; F691-M700 HydrophobicContact CG-CE 3.95Å; F691-M700 HydrophobicContact CG-CG 4.07Å; F691-M700 HydrophobicContact CG-SD 3.74Å; F691-M700 HydrophobicContact CZ-CE 4.1Å; F691-M700 HydrophobicContact CZ-CG 3.84Å; F691-M700 HydrophobicContact CZ-SD 4.47Å; F691-D704 HydrophobicContact CE2-CB 4.17Å; F691-D704 HydrophobicContact CZ-CB 3.91Å; F691-I708 HydrophobicContact CD2-CD1 4.45Å; F691-I708 HydrophobicContact CD2-CG2 4.33Å; F691-I708 HydrophobicContact CE2-CG2 4.03Å
692	T	88.1	Confident	85.4	Confident	85 Å²	85	56.3 Å²	56.3	52%	0.521	31%	0.314	S	S	.	.			trans	-94.4	-9.4	-171.4	55	0	0	0	0	114.6	L687 G690	L687-T692 HydrophobicContact CD2-CG2 4.21Å; G690-T692 PolarHBondContact O-N 3.43Å
693	S	86.9	Confident	85.4	Confident	45 Å²	45	62.3 Å²	62.3	32%	0.315	34%	0.342	S	S	.	.	S	Bend	trans	-131.4	152.9	175.1	79	0	0	0	0	111.8	Q695 L696 V697	S693-Q695 PolarHBondContact O-N 2.85Å; S693-L696 PolarHBondContact O-N 3.35Å; S693-L696 WeakPolarHBondContact OG-CG 3.43Å; S693-L696 PolarHBondContact OG-N 2.91Å; S693-V697 PolarHBondContact O-N 3.26Å
694	L	83.7	Confident	85.5	Confident	25 Å²	25	60 Å²	60	13%	0.131	34%	0.335	C	S	.	.	H	α-helix	trans	-59.4	-30.1	176.8	-62.5	170.9	0	0	0	111.7	F667 V670 W673 L696 V697 A698 M726	F667-L694 HydrophobicContact CB-CD1 3.57Å; V670-L694 HydrophobicContact CG2-CD2 4.25Å; W673-L694 HydrophobicContact CB-CD2 3.64Å; W673-L694 HydrophobicContact CD2-CD2 4.28Å; W673-L694 HydrophobicContact CE3-CD2 4.44Å; W673-L694 HydrophobicContact CG-CD2 3.96Å; L694-L696 PolarHBondContact O-N 3Å; L694-V697 PolarHBondContact O-N 3.23Å; L694-A698 WeakPolarHBondContact O-CB 3.44Å; L694-A698 PolarHBondContact O-N 3.03Å; L694-M726 HydrophobicContact CB-SD 4.04Å; L694-M726 HydrophobicContact CD2-CE 3.88Å; L694-M726 HydrophobicContact CD2-SD 4.44Å
695	Q	83.6	Confident	85.9	Confident	130 Å²	130	55.4 Å²	55.4	61%	0.607	31%	0.311	S	S	*	.	H	α-helix	trans	-73.6	-23.4	177.1	-163.4	169.8	22.3	0	0	113.8	S693 Q699 M730	S693-Q695 PolarHBondContact O-N 2.85Å; Q695-Q699 PolarHBondContact O-NE2 3.39Å; Q695-M730 HydrophobicContact CB-CE 4.09Å; Q695-M730 HydrophobicContact CG-CE 3.97Å
696	L	85.8	Confident	85.4	Confident	72 Å²	72	57.6 Å²	57.6	38%	0.377	32%	0.322	S	S	.	.	H	α-helix	trans	-84.4	-41.3	170.3	-68.9	169.4	0	0	0	111.1	F691 S693 L694 A698 Q699	F691-L696 HydrophobicContact CD1-CB 4.38Å; S693-L696 PolarHBondContact O-N 3.35Å; S693-L696 WeakPolarHBondContact OG-CG 3.43Å; S693-L696 PolarHBondContact OG-N 2.91Å; L694-L696 PolarHBondContact O-N 3Å; L696-A698 VanDerWaalsContact C-N 3.27Å; L696-A698 PolarHBondContact O-N 3.11Å; L696-Q699 WeakPolarHBondContact O-CB 3.47Å; L696-Q699 PolarHBondContact O-N 2.92Å
697	V	88.8	Confident	85	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-56.1	-42.7	170.5	161.7	0	0	0	0	111.4	V670 W673 F686 F691 S693 L694 Q699 M700 V723 M726	V670-V697 HydrophobicContact CB-CG2 4.34Å; V670-V697 HydrophobicContact CG1-CG2 3.76Å; V670-V697 HydrophobicContact CG2-CG2 3.61Å; W673-V697 HydrophobicContact CE3-CG1 3.98Å; W673-V697 HydrophobicContact CH2-CG1 3.35Å; W673-V697 HydrophobicContact CZ2-CG1 3.99Å; W673-V697 HydrophobicContact CZ3-CB 4.42Å; W673-V697 HydrophobicContact CZ3-CG1 3.38Å; W673-V697 HydrophobicContact CZ3-CG2 4.18Å; F686-V697 HydrophobicContact CD1-CG2 3.98Å; F686-V697 HydrophobicContact CE1-CG2 4.29Å; F691-V697 HydrophobicContact CB-CG2 4.02Å; S693-V697 PolarHBondContact O-N 3.26Å; L694-V697 PolarHBondContact O-N 3.23Å; V697-Q699 PolarHBondContact O-N 3.39Å; V697-M700 HydrophobicContact CB-SD 4.33Å; V697-M700 HydrophobicContact CG1-SD 4.42Å; V697-M700 HydrophobicContact CG2-SD 4.14Å; V697-M700 WeakPolarHBondContact O-CB 3.38Å; V697-M700 WeakPolarHBondContact O-CG 3.26Å; V697-M700 PolarHBondContact O-N 3.41Å; V697-V723 HydrophobicContact CG1-CG2 3.72Å; V697-V723 WeakPolarHBondContact O-CG1 3.24Å; V697-V723 WeakPolarHBondContact O-CG2 3.43Å; V697-M726 HydrophobicContact CG1-CE 3.82Å; V697-M726 HydrophobicContact CG1-SD 4.08Å
698	A	86.9	Confident	85	Confident	10 Å²	10	63.2 Å²	63.2	8%	0.083	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-16.6	173.5	0	0	0	0	0	113.3	L694 L696 M726 R727 M730	L694-A698 WeakPolarHBondContact O-CB 3.44Å; L694-A698 PolarHBondContact O-N 3.03Å; L696-A698 VanDerWaalsContact C-N 3.27Å; L696-A698 PolarHBondContact O-N 3.11Å; A698-M726 HydrophobicContact CB-CG 4.36Å; A698-M726 HydrophobicContact CB-SD 3.92Å; A698-R727 WeakPolarHBondContact O-CG 3.44Å; A698-R727 VanDerWaalsContact O-CZ 3.27Å; A698-R727 PolarHBondContact O-NE 3.23Å; A698-R727 PolarHBondContact O-NH2 3.41Å; A698-M730 HydrophobicContact CB-SD 3.97Å
699	Q	86.1	Confident	84.3	Confident	132 Å²	132	58 Å²	58	62%	0.617	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	-5.6	179	-67.7	173.6	61.1	0	0	113.8	Q695 L696 V697 R727	Q695-Q699 PolarHBondContact O-NE2 3.39Å; L696-Q699 WeakPolarHBondContact O-CB 3.47Å; L696-Q699 PolarHBondContact O-N 2.92Å; V697-Q699 PolarHBondContact O-N 3.39Å; Q699-R727 VanDerWaalsContact C-NH2 3.29Å; Q699-R727 PolarHBondContact O-NH2 2.89Å
700	M	86.9	Confident	84	Confident	1 Å²	1	55.6 Å²	55.6	1%	0.005	30%	0.303	C	S	.	.			trans	-60.7	147	-175.1	-68.8	177.9	79.4	0	0	114.8	F686 F691 V697 D704 L705 I708 R727	F686-M700 HydrophobicContact CD1-CE 4.18Å; F686-M700 HydrophobicContact CD1-SD 3.94Å; F686-M700 HydrophobicContact CE1-CE 3.66Å; F686-M700 HydrophobicContact CE1-SD 3.43Å; F686-M700 WeakPolarHBondContact CE1-SD 3.39Å; F686-M700 HydrophobicContact CZ-CE 3.93Å; F686-M700 HydrophobicContact CZ-SD 4.22Å; F691-M700 HydrophobicContact CB-SD 4.21Å; F691-M700 HydrophobicContact CD1-CE 4.31Å; F691-M700 HydrophobicContact CD1-CG 3.5Å; F691-M700 VanDerWaalsContact CD1-CG 3.5Å; F691-M700 HydrophobicContact CD1-SD 3.78Å; F691-M700 HydrophobicContact CD2-CE 3.63Å; F691-M700 HydrophobicContact CD2-CG 4.47Å; F691-M700 HydrophobicContact CD2-SD 4.08Å; F691-M700 HydrophobicContact CE1-CE 4.39Å; F691-M700 HydrophobicContact CE1-CG 3.38Å; F691-M700 HydrophobicContact CE1-SD 4.17Å; F691-M700 HydrophobicContact CE2-CE 3.71Å; F691-M700 HydrophobicContact CE2-CG 4.36Å; F691-M700 HydrophobicContact CE2-SD 4.43Å; F691-M700 HydrophobicContact CG-CE 3.95Å; F691-M700 HydrophobicContact CG-CG 4.07Å; F691-M700 HydrophobicContact CG-SD 3.74Å; F691-M700 HydrophobicContact CZ-CE 4.1Å; F691-M700 HydrophobicContact CZ-CG 3.84Å; F691-M700 HydrophobicContact CZ-SD 4.47Å; V697-M700 HydrophobicContact CB-SD 4.33Å; V697-M700 HydrophobicContact CG1-SD 4.42Å; V697-M700 HydrophobicContact CG2-SD 4.14Å; V697-M700 WeakPolarHBondContact O-CB 3.38Å; V697-M700 WeakPolarHBondContact O-CG 3.26Å; V697-M700 PolarHBondContact O-N 3.41Å; M700-D704 HydrophobicContact CE-CB 4.29Å; M700-L705 HydrophobicContact CE-CD2 3.36Å; M700-L705 HydrophobicContact CE-CG 3.98Å; M700-I708 HydrophobicContact CE-CD1 3.75Å; M700-R727 PolarHBondContact O-NH2 3.25Å
701	T	86.3	Confident	83	Confident	66 Å²	66	58.6 Å²	58.6	41%	0.405	31%	0.313	S	S	.	.			trans	-103.5	171.6	169.9	70.3	0	0	0	0	111.6	E703 D704 L705	T701-E703 VanDerWaalsContact C-N 3.27Å; T701-E703 PolarHBondContact OG1-N 3.31Å; T701-D704 WeakPolarHBondContact CB-OD2 3.36Å; T701-D704 PolarHBondContact N-OD2 3.45Å; T701-D704 PolarHBondContact O-N 2.98Å; T701-D704 PolarHBondContact OG1-N 2.98Å; T701-D704 VanDerWaalsContact OG1-N 3.1Å; T701-D704 PolarHBondContact OG1-OD2 3.02Å; T701-L705 PolarHBondContact O-N 3.32Å
702	S	77.3	Confident	81.3	Confident	65 Å²	65	61.7 Å²	61.7	46%	0.455	33%	0.33	S	S	.	.	H	α-helix	trans	-64.6	-31.7	169.3	46.4	0	0	0	0	112.7	L705 L706	S702-L705 PolarHBondContact O-N 3.26Å; S702-L706 PolarHBondContact O-N 2.95Å
703	E	81.9	Confident	79.6	Confident	148 Å²	148	58.6 Å²	58.6	69%	0.692	31%	0.313	S	S	*	.	H	α-helix	trans	-70.9	-36.1	178.7	-169.4	171.5	-173.6	0	0	111.6	T701 L705 L706 R707	T701-E703 VanDerWaalsContact C-N 3.27Å; T701-E703 PolarHBondContact OG1-N 3.31Å; E703-L705 VanDerWaalsContact C-N 3.34Å; E703-L705 PolarHBondContact O-N 3.25Å; E703-L706 PolarHBondContact O-N 3.37Å; E703-R707 WeakPolarHBondContact O-CB 3.33Å; E703-R707 PolarHBondContact O-N 2.81Å
704	D	86.9	Confident	77.7	Confident	24 Å²	24	57.3 Å²	57.3	13%	0.128	31%	0.306	C	S	.	.	H	α-helix	trans	-59.6	-44.5	170	-63.7	-67	0	0	0	111.4	F691 M700 T701 L706 R707 I708	F691-D704 HydrophobicContact CE2-CB 4.17Å; F691-D704 HydrophobicContact CZ-CB 3.91Å; M700-D704 HydrophobicContact CE-CB 4.29Å; T701-D704 WeakPolarHBondContact CB-OD2 3.36Å; T701-D704 PolarHBondContact N-OD2 3.45Å; T701-D704 PolarHBondContact O-N 2.98Å; T701-D704 PolarHBondContact OG1-N 2.98Å; T701-D704 VanDerWaalsContact OG1-N 3.1Å; T701-D704 PolarHBondContact OG1-OD2 3.02Å; D704-L706 PolarHBondContact O-N 3.1Å; D704-R707 WeakPolarHBondContact O-CB 3.48Å; D704-R707 PolarHBondContact O-N 3.16Å; D704-R707 VanDerWaalsContact O-N 3.12Å; D704-R707 IonicContact OD1-CZ 2.66Å; D704-R707 IonicContact OD1-NH1 3.33Å; D704-R707 PolarHBondContact OD1-NH1 2.93Å; D704-R707 IonicContact OD1-NH2 3.51Å; D704-R707 PolarHBondContact OD1-NH2 2.65Å; D704-I708 WeakPolarHBondContact O-CG2 3.34Å; D704-I708 PolarHBondContact O-N 3.13Å
705	L	84.4	Confident	77.3	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-65	-38.9	-177.8	-69.6	171.2	0	0	0	113	F686 M700 T701 S702 E703 I708 G709 V710 Q716 I719 L720	F686-L705 HydrophobicContact CE1-CD2 4.32Å; F686-L705 HydrophobicContact CE2-CD2 4.03Å; F686-L705 HydrophobicContact CZ-CD2 3.49Å; F686-L705 VanDerWaalsContact CZ-CD2 3.49Å; M700-L705 HydrophobicContact CE-CD2 3.36Å; M700-L705 HydrophobicContact CE-CG 3.98Å; T701-L705 PolarHBondContact O-N 3.32Å; S702-L705 PolarHBondContact O-N 3.26Å; E703-L705 VanDerWaalsContact C-N 3.34Å; E703-L705 PolarHBondContact O-N 3.25Å; L705-I708 HydrophobicContact CD2-CD1 4.09Å; L705-G709 PolarHBondContact O-N 3.5Å; L705-V710 HydrophobicContact CB-CB 4.29Å; L705-V710 HydrophobicContact CD2-CG2 4.07Å; L705-V710 WeakPolarHBondContact O-CB 3.35Å; L705-V710 PolarHBondContact O-N 3.25Å; L705-Q716 HydrophobicContact CB-CG 4.18Å; L705-Q716 HydrophobicContact CD1-CB 4.34Å; L705-I719 HydrophobicContact CD1-CB 4.3Å; L705-I719 HydrophobicContact CD1-CG2 4.12Å; L705-I719 HydrophobicContact CD2-CB 4.48Å; L705-I719 HydrophobicContact CD2-CD1 4.42Å; L705-I719 HydrophobicContact CD2-CG2 3.83Å; L705-L720 HydrophobicContact CD1-CD1 4.1Å; L705-L720 HydrophobicContact CD1-CD2 3.58Å; L705-L720 HydrophobicContact CD1-CG 3.44Å; L705-L720 VanDerWaalsContact CD1-CG 3.44Å
706	L	77.6	Confident	76.7	Confident	96 Å²	96	52.7 Å²	52.7	50%	0.503	28%	0.284	S	S	.	.	H	α-helix	trans	-61.8	-47.5	169.4	-77.7	162.7	0	0	0	111.2	S702 E703 D704 I708 G709	S702-L706 PolarHBondContact O-N 2.95Å; E703-L706 PolarHBondContact O-N 3.37Å; D704-L706 PolarHBondContact O-N 3.1Å; L706-I708 VanDerWaalsContact C-N 3.31Å; L706-I708 PolarHBondContact O-N 3.33Å; L706-G709 PolarHBondContact O-N 3.14Å
707	R	84.3	Confident	75.3	Confident	162 Å²	162	53.1 Å²	53.1	61%	0.611	28%	0.283	S	S	*	.	H	α-helix	trans	-59.5	-37.4	-179.8	-171.9	-179.7	71.3	-120.4	-5.8	113	E703 D704 G709	E703-R707 WeakPolarHBondContact O-CB 3.33Å; E703-R707 PolarHBondContact O-N 2.81Å; D704-R707 WeakPolarHBondContact O-CB 3.48Å; D704-R707 PolarHBondContact O-N 3.16Å; D704-R707 VanDerWaalsContact O-N 3.12Å; D704-R707 IonicContact OD1-CZ 2.66Å; D704-R707 IonicContact OD1-NH1 3.33Å; D704-R707 PolarHBondContact OD1-NH1 2.93Å; D704-R707 IonicContact OD1-NH2 3.51Å; D704-R707 PolarHBondContact OD1-NH2 2.65Å; R707-G709 VanDerWaalsContact C-N 3.29Å; R707-G709 PolarHBondContact O-N 2.73Å
708	I	86.7	Confident	74.4	Confident	12 Å²	12	55.7 Å²	55.7	6%	0.062	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	1	179	76.3	179.8	0	0	0	113.5	N685 F686 S689 F691 M700 D704 L705 L706 V710	N685-I708 HydrophobicContact CB-CB 4.47Å; N685-I708 HydrophobicContact CB-CG1 4.37Å; N685-I708 WeakPolarHBondContact CB-O 3.5Å; N685-I708 PolarHBondContact ND2-O 2.86Å; F686-I708 HydrophobicContact CD2-CD1 3.46Å; F686-I708 VanDerWaalsContact CD2-CD1 3.46Å; F686-I708 HydrophobicContact CE2-CD1 3.5Å; F686-I708 VanDerWaalsContact CE2-CD1 3.5Å; F686-I708 HydrophobicContact CG-CD1 4Å; F686-I708 HydrophobicContact CZ-CD1 4.04Å; S689-I708 WeakPolarHBondContact OG-CB 3.43Å; S689-I708 WeakPolarHBondContact OG-CG2 3.17Å; F691-I708 HydrophobicContact CD2-CD1 4.45Å; F691-I708 HydrophobicContact CD2-CG2 4.33Å; F691-I708 HydrophobicContact CE2-CG2 4.03Å; M700-I708 HydrophobicContact CE-CD1 3.75Å; D704-I708 WeakPolarHBondContact O-CG2 3.34Å; D704-I708 PolarHBondContact O-N 3.13Å; L705-I708 HydrophobicContact CD2-CD1 4.09Å; L706-I708 VanDerWaalsContact C-N 3.31Å; L706-I708 PolarHBondContact O-N 3.33Å; I708-V710 HydrophobicContact CD1-CG2 4.3Å; I708-V710 HydrophobicContact CG1-CG2 4.04Å
709	G	69.5	Low	74.1	Confident	30 Å²	30	55.2 Å²	55.2	31%	0.309	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.8	16.2	174.5	0	0	0	0	0	115.9	L705 L706 R707 T711	L705-G709 PolarHBondContact O-N 3.5Å; L706-G709 PolarHBondContact O-N 3.14Å; R707-G709 VanDerWaalsContact C-N 3.29Å; R707-G709 PolarHBondContact O-N 2.73Å; G709-T711 VanDerWaalsContact C-N 3.25Å; G709-T711 PolarHBondContact O-N 2.98Å
710	V	78.6	Confident	73.9	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.269	C	S	.	.			trans	-76.8	81.5	164.2	-169.7	0	0	0	0	107.8	Y682 F686 L705 I708 H715 Q716 I719	Y682-V710 HydrophobicContact CD1-CG2 3.84Å; Y682-V710 HydrophobicContact CD2-CG1 4.37Å; Y682-V710 HydrophobicContact CD2-CG2 4.39Å; Y682-V710 HydrophobicContact CE1-CB 4.32Å; Y682-V710 HydrophobicContact CE1-CG1 4.21Å; Y682-V710 HydrophobicContact CE1-CG2 4.15Å; Y682-V710 HydrophobicContact CE2-CG1 3.97Å; Y682-V710 HydrophobicContact CG-CG2 3.97Å; F686-V710 HydrophobicContact CE2-CG2 4.07Å; L705-V710 HydrophobicContact CB-CB 4.29Å; L705-V710 HydrophobicContact CD2-CG2 4.07Å; L705-V710 WeakPolarHBondContact O-CB 3.35Å; L705-V710 PolarHBondContact O-N 3.25Å; I708-V710 HydrophobicContact CD1-CG2 4.3Å; I708-V710 HydrophobicContact CG1-CG2 4.04Å; V710-H715 HydrophobicContact CG1-CB 3.84Å; V710-Q716 HydrophobicContact CB-CG 4.12Å; V710-Q716 HydrophobicContact CG1-CB 4.45Å; V710-Q716 HydrophobicContact CG1-CG 3.79Å; V710-Q716 VanDerWaalsContact O-CD 3.32Å; V710-Q716 WeakPolarHBondContact O-CG 3.36Å; V710-Q716 PolarHBondContact O-NE2 2.83Å; V710-I719 HydrophobicContact CG1-CD1 4.07Å; V710-I719 HydrophobicContact CG2-CD1 4.2Å
711	T	64.6	Low	73.4	Confident	105 Å²	105	52.1 Å²	52.1	64%	0.644	28%	0.28	S	S	*	.			trans	-82.4	-23.5	-172.7	51.1	0	0	0	0	114.6	G709 Q716	G709-T711 VanDerWaalsContact C-N 3.25Å; G709-T711 PolarHBondContact O-N 2.98Å; T711-Q716 PolarHBondContact O-NE2 2.81Å
712	L	53.2	Low	73.2	Confident	87 Å²	87	50.4 Å²	50.4	46%	0.455	27%	0.269	S	S	.	.			trans	-77.8	121.5	176.9	-65.3	169.5	0	0	0	109.7	G714 H715 Q716	L712-G714 PolarHBondContact O-N 3.31Å; L712-H715 HydrophobicContact CB-CB 4.17Å; L712-H715 WeakPolarHBondContact CD1-ND1 3.19Å; L712-H715 WeakPolarHBondContact O-CB 3.41Å; L712-H715 PolarHBondContact O-N 2.81Å; L712-H715 VanDerWaalsContact O-N 3.11Å; L712-Q716 WeakPolarHBondContact O-CG 3.23Å; L712-Q716 PolarHBondContact O-N 3.25Å
713	A	50.6	Low	73.6	Confident	21 Å²	21	47.4 Å²	47.4	17%	0.174	25%	0.248	C	C	.	.	H	α-helix	trans	-68.5	-36.4	-174	0	0	0	0	0	111.6	D467 H715 Q716 K717	D467-A713 HydrophobicContact CB-CB 4.25Å; D467-A713 WeakPolarHBondContact OD2-CA 3.21Å; D467-A713 WeakPolarHBondContact OD2-CB 3.44Å; D467-A713 PolarHBondContact OD2-N 2.96Å; A713-H715 PolarHBondContact O-N 3.39Å; A713-Q716 PolarHBondContact O-N 3.34Å; A713-K717 WeakPolarHBondContact O-CB 3.17Å; A713-K717 PolarHBondContact O-N 2.94Å
714	G	47.5	Very low	73.5	Confident	17 Å²	17	45.7 Å²	45.7	18%	0.175	24%	0.239	C	C	.	.	H	α-helix	trans	-54	-39.4	169.7	0	0	0	0	0	113.1	D467 L712 K718	D467-G714 PolarHBondContact OD1-N 3.4Å; D467-G714 PolarHBondContact OD2-N 2.72Å; L712-G714 PolarHBondContact O-N 3.31Å; G714-K718 WeakPolarHBondContact O-CB 3.28Å; G714-K718 PolarHBondContact O-N 2.88Å
715	H	75.3	Confident	73	Confident	36 Å²	36	47.1 Å²	47.1	17%	0.167	25%	0.252	C	S	.	.	H	α-helix	trans	-75.9	-43.3	176.3	-64.8	169.7	0	0	0	112.8	M679 Q681 Y682 V710 L712 A713 K717 K718 I719	M679-H715 HydrophobicContact CE-CB 4.46Å; M679-H715 HydrophobicContact SD-CB 3.87Å; Q681-H715 PolarHBondContact NE2-CE1 3.05Å; Q681-H715 PolarHBondContact NE2-ND1 2.84Å; Y682-H715 HydrophobicContact CE2-CB 3.78Å; Y682-H715 AromaticContact CE2-CG 3.88Å; Y682-H715 AromaticContact CE2-ND1 3.48Å; Y682-H715 WeakPolarHBondContact CE2-ND1 3.39Å; Y682-H715 AromaticContact CZ-ND1 3.62Å; Y682-H715 PolarHBondContact OH-ND1 2.87Å; V710-H715 HydrophobicContact CG1-CB 3.84Å; L712-H715 HydrophobicContact CB-CB 4.17Å; L712-H715 WeakPolarHBondContact CD1-ND1 3.19Å; L712-H715 WeakPolarHBondContact O-CB 3.41Å; L712-H715 PolarHBondContact O-N 2.81Å; L712-H715 VanDerWaalsContact O-N 3.11Å; A713-H715 PolarHBondContact O-N 3.39Å; H715-K717 VanDerWaalsContact C-N 3.29Å; H715-K717 PolarHBondContact O-N 2.98Å; H715-K718 PolarHBondContact O-N 3.12Å; H715-I719 VanDerWaalsContact O-CG1 3.31Å; H715-I719 WeakPolarHBondContact O-CG1 3.2Å; H715-I719 PolarHBondContact O-N 3.43Å; H715-I719 VanDerWaalsContact O-N 3.07Å
716	Q	71.1	Confident	72.8	Confident	23 Å²	23	47.2 Å²	47.2	11%	0.107	25%	0.252	C	S	.	.	H	α-helix	trans	-53.4	-50.6	172.9	-66.8	168	24.3	0	0	110.4	L705 V710 T711 L712 A713 K718 I719 L720	L705-Q716 HydrophobicContact CB-CG 4.18Å; L705-Q716 HydrophobicContact CD1-CB 4.34Å; V710-Q716 HydrophobicContact CB-CG 4.12Å; V710-Q716 HydrophobicContact CG1-CB 4.45Å; V710-Q716 HydrophobicContact CG1-CG 3.79Å; V710-Q716 VanDerWaalsContact O-CD 3.32Å; V710-Q716 WeakPolarHBondContact O-CG 3.36Å; V710-Q716 PolarHBondContact O-NE2 2.83Å; T711-Q716 PolarHBondContact O-NE2 2.81Å; L712-Q716 WeakPolarHBondContact O-CG 3.23Å; L712-Q716 PolarHBondContact O-N 3.25Å; A713-Q716 PolarHBondContact O-N 3.34Å; Q716-K718 PolarHBondContact O-N 3.08Å; Q716-I719 PolarHBondContact O-N 3.28Å; Q716-L720 WeakPolarHBondContact O-CB 3.15Å; Q716-L720 VanDerWaalsContact O-CG 3.3Å; Q716-L720 WeakPolarHBondContact O-CG 3.29Å; Q716-L720 PolarHBondContact O-N 2.92Å
717	K	57.4	Low	73	Confident	81 Å²	81	47.7 Å²	47.7	35%	0.352	25%	0.247	S	C	.	.	H	α-helix	trans	-62.7	-39.7	-177.9	-168.6	168.2	179.6	-88.1	0	111.6	M601 D602 A713 H715 L720 S721	M601-K717 HydrophobicContact CE-CG 4.21Å; M601-K717 PolarHBondContact O-NZ 2.64Å; D602-K717 WeakPolarHBondContact OD2-CE 3.24Å; D602-K717 WeakPolarHBondContact OD2-CG 3.41Å; D602-K717 IonicContact OD2-NZ 3.78Å; D602-K717 PolarHBondContact OD2-NZ 3.16Å; A713-K717 WeakPolarHBondContact O-CB 3.17Å; A713-K717 PolarHBondContact O-N 2.94Å; H715-K717 VanDerWaalsContact C-N 3.29Å; H715-K717 PolarHBondContact O-N 2.98Å; K717-L720 PolarHBondContact O-N 2.91Å; K717-S721 VanDerWaalsContact O-CB 3.27Å; K717-S721 WeakPolarHBondContact O-CB 3.4Å; K717-S721 PolarHBondContact O-N 2.95Å
718	K	68.9	Low	72.5	Confident	53 Å²	53	43.4 Å²	43.4	23%	0.23	24%	0.239	C	C	.	.	H	α-helix	trans	-60.9	-44.3	174	-171.4	172.3	-167.3	-167.4	0	113.2	M601 I677 M679 G714 H715 Q716 N722	M601-K718 VanDerWaalsContact CE-CA 3.42Å; M601-K718 HydrophobicContact CE-CB 4.14Å; M601-K718 HydrophobicContact CG-CB 4Å; M601-K718 HydrophobicContact CG-CG 4.29Å; M601-K718 VanDerWaalsContact SD-CA 3.55Å; M601-K718 HydrophobicContact SD-CB 3.63Å; M601-K718 HydrophobicContact SD-CD 4.35Å; M601-K718 HydrophobicContact SD-CG 3.63Å; I677-K718 WeakPolarHBondContact O-CE 3.19Å; I677-K718 PolarHBondContact O-NZ 3.28Å; M679-K718 HydrophobicContact CE-CD 4.05Å; M679-K718 HydrophobicContact CG-CD 4.21Å; M679-K718 HydrophobicContact SD-CD 4Å; G714-K718 WeakPolarHBondContact O-CB 3.28Å; G714-K718 PolarHBondContact O-N 2.88Å; H715-K718 PolarHBondContact O-N 3.12Å; Q716-K718 PolarHBondContact O-N 3.08Å; K718-N722 PolarHBondContact O-N 2.98Å; K718-N722 PolarHBondContact O-ND2 2.85Å
719	I	81.7	Confident	71.6	Confident	0 Å²	0	46 Å²	46	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-69.1	-47.5	177.4	-63.8	166.3	0	0	0	109.7	W673 I677 M679 Y682 F686 L705 V710 H715 Q716 S721 N722 V723	W673-I719 HydrophobicContact CH2-CG2 3.6Å; W673-I719 HydrophobicContact CZ2-CG2 4.28Å; I677-I719 HydrophobicContact CD1-CG1 4.07Å; M679-I719 HydrophobicContact CB-CG1 4.47Å; M679-I719 HydrophobicContact CG-CD1 4.34Å; M679-I719 HydrophobicContact CG-CG1 3.96Å; M679-I719 HydrophobicContact SD-CD1 4.15Å; M679-I719 HydrophobicContact SD-CG1 4.1Å; Y682-I719 HydrophobicContact CD2-CD1 4.19Å; F686-I719 HydrophobicContact CE1-CG2 4.06Å; F686-I719 HydrophobicContact CE2-CD1 4.04Å; F686-I719 HydrophobicContact CZ-CD1 3.9Å; F686-I719 HydrophobicContact CZ-CG2 3.55Å; L705-I719 HydrophobicContact CD1-CB 4.3Å; L705-I719 HydrophobicContact CD1-CG2 4.12Å; L705-I719 HydrophobicContact CD2-CB 4.48Å; L705-I719 HydrophobicContact CD2-CD1 4.42Å; L705-I719 HydrophobicContact CD2-CG2 3.83Å; V710-I719 HydrophobicContact CG1-CD1 4.07Å; V710-I719 HydrophobicContact CG2-CD1 4.2Å; H715-I719 VanDerWaalsContact O-CG1 3.31Å; H715-I719 WeakPolarHBondContact O-CG1 3.2Å; H715-I719 PolarHBondContact O-N 3.43Å; H715-I719 VanDerWaalsContact O-N 3.07Å; Q716-I719 PolarHBondContact O-N 3.28Å; I719-S721 PolarHBondContact O-N 2.81Å; I719-N722 PolarHBondContact O-N 2.93Å; I719-V723 HydrophobicContact CG2-CG2 4.35Å; I719-V723 WeakPolarHBondContact O-CB 3.16Å; I719-V723 WeakPolarHBondContact O-CG2 3.47Å; I719-V723 PolarHBondContact O-N 3.07Å
720	L	81.8	Confident	71.7	Confident	34 Å²	34	48.7 Å²	48.7	18%	0.178	26%	0.256	C	S	.	.	H	α-helix	trans	-59.4	-41.5	178.1	-71.7	170.3	0	0	0	113.1	L705 Q716 K717 V723 Q724	L705-L720 HydrophobicContact CD1-CD1 4.1Å; L705-L720 HydrophobicContact CD1-CD2 3.58Å; L705-L720 HydrophobicContact CD1-CG 3.44Å; L705-L720 VanDerWaalsContact CD1-CG 3.44Å; Q716-L720 WeakPolarHBondContact O-CB 3.15Å; Q716-L720 VanDerWaalsContact O-CG 3.3Å; Q716-L720 WeakPolarHBondContact O-CG 3.29Å; Q716-L720 PolarHBondContact O-N 2.92Å; K717-L720 PolarHBondContact O-N 2.91Å; L720-V723 PolarHBondContact O-N 3.23Å; L720-Q724 WeakPolarHBondContact O-CG 3.37Å; L720-Q724 PolarHBondContact O-N 3.14Å
721	S	75.4	Confident	71	Confident	34 Å²	34	53.1 Å²	53.1	24%	0.238	29%	0.287	C	S	.	.	H	α-helix	trans	-62.1	-44.9	178	-164.3	0	0	0	0	110.4	D602 K717 I719 Q724 S725	D602-S721 PolarHBondContact OD1-OG 2.87Å; K717-S721 VanDerWaalsContact O-CB 3.27Å; K717-S721 WeakPolarHBondContact O-CB 3.4Å; K717-S721 PolarHBondContact O-N 2.95Å; I719-S721 PolarHBondContact O-N 2.81Å; S721-Q724 PolarHBondContact O-N 3.03Å; S721-S725 PolarHBondContact O-N 2.78Å; S721-S725 PolarHBondContact O-OG 2.68Å
722	N	83.1	Confident	70.6	Confident	31 Å²	31	54.6 Å²	54.6	17%	0.166	29%	0.287	C	S	.	.	H	α-helix	trans	-66.9	-37.2	173.7	-79.4	-90.9	0	0	0	113.4	F664 W673 I677 K718 I719 Q724 S725 M726	F664-N722 HydrophobicContact CZ-CB 4.45Å; W673-N722 HydrophobicContact CZ2-CB 3.96Å; I677-N722 HydrophobicContact CD1-CB 4.46Å; I677-N722 HydrophobicContact CG2-CB 4.37Å; I677-N722 WeakPolarHBondContact CG2-OD1 3.08Å; K718-N722 PolarHBondContact O-N 2.98Å; K718-N722 PolarHBondContact O-ND2 2.85Å; I719-N722 PolarHBondContact O-N 2.93Å; N722-Q724 VanDerWaalsContact C-N 3.29Å; N722-Q724 PolarHBondContact O-N 3.32Å; N722-S725 PolarHBondContact O-N 3.14Å; N722-M726 VanDerWaalsContact O-CB 3.29Å; N722-M726 WeakPolarHBondContact O-CB 3.05Å; N722-M726 PolarHBondContact O-N 3.26Å
723	V	86.3	Confident	70.4	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.006	29%	0.289	C	S	.	.	H	α-helix	trans	-61.8	-36.6	172.1	162.5	0	0	0	0	111.3	W673 V697 I719 L720 R727	W673-V723 HydrophobicContact CH2-CG2 3.94Å; W673-V723 HydrophobicContact CZ2-CG2 4.03Å; V697-V723 HydrophobicContact CG1-CG2 3.72Å; V697-V723 WeakPolarHBondContact O-CG1 3.24Å; V697-V723 WeakPolarHBondContact O-CG2 3.43Å; I719-V723 HydrophobicContact CG2-CG2 4.35Å; I719-V723 WeakPolarHBondContact O-CB 3.16Å; I719-V723 WeakPolarHBondContact O-CG2 3.47Å; I719-V723 PolarHBondContact O-N 3.07Å; L720-V723 PolarHBondContact O-N 3.23Å; V723-R727 WeakPolarHBondContact O-CG 3.33Å; V723-R727 PolarHBondContact O-N 3.18Å
724	Q	78.8	Confident	70	Confident	112 Å²	112	58.1 Å²	58.1	52%	0.523	32%	0.315	S	S	.	.	H	α-helix	trans	-70.5	-42	174.4	-71.9	176.7	20.2	0	0	112.1	L720 S721 N722 M726 R727 V728	L720-Q724 WeakPolarHBondContact O-CG 3.37Å; L720-Q724 PolarHBondContact O-N 3.14Å; S721-Q724 PolarHBondContact O-N 3.03Å; N722-Q724 VanDerWaalsContact C-N 3.29Å; N722-Q724 PolarHBondContact O-N 3.32Å; Q724-M726 VanDerWaalsContact C-N 3.31Å; Q724-M726 PolarHBondContact O-N 3.45Å; Q724-R727 WeakPolarHBondContact O-CB 3.29Å; Q724-R727 PolarHBondContact O-N 3.37Å; Q724-V728 WeakPolarHBondContact O-CG2 3.47Å; Q724-V728 PolarHBondContact O-N 2.7Å
725	S	76.2	Confident	70	Confident	55 Å²	55	67.4 Å²	67.4	39%	0.385	35%	0.351	S	S	.	.	H	α-helix	trans	-58.8	-43.5	171.6	-54.4	0	0	0	0	112	S721 N722 V728 Q729	S721-S725 PolarHBondContact O-N 2.78Å; S721-S725 PolarHBondContact O-OG 2.68Å; N722-S725 PolarHBondContact O-N 3.14Å; S725-V728 PolarHBondContact O-N 2.96Å; S725-Q729 PolarHBondContact O-N 2.89Å
726	M	79.6	Confident	68	Low	2 Å²	2	71.7 Å²	71.7	1%	0.01	38%	0.379	C	S	.	.	H	α-helix	trans	-59.9	-46.4	176.1	-167.8	-171	-63.6	0	0	111.4	F664 W673 L694 V697 A698 N722 Q724 V728 Q729 M730	F664-M726 HydrophobicContact CD1-CB 3.83Å; F664-M726 HydrophobicContact CD1-CE 3.72Å; F664-M726 HydrophobicContact CD1-CG 3.82Å; F664-M726 HydrophobicContact CE1-CB 3.92Å; F664-M726 HydrophobicContact CE1-CE 3.84Å; F664-M726 HydrophobicContact CE1-CG 4.36Å; F664-M726 HydrophobicContact CG-CB 4.45Å; F664-M726 HydrophobicContact CG-CG 4.42Å; W673-M726 HydrophobicContact CD2-CE 3.87Å; W673-M726 HydrophobicContact CG-CE 4.07Å; W673-M726 HydrophobicContact CZ2-CE 3.96Å; L694-M726 HydrophobicContact CB-SD 4.04Å; L694-M726 HydrophobicContact CD2-CE 3.88Å; L694-M726 HydrophobicContact CD2-SD 4.44Å; V697-M726 HydrophobicContact CG1-CE 3.82Å; V697-M726 HydrophobicContact CG1-SD 4.08Å; A698-M726 HydrophobicContact CB-CG 4.36Å; A698-M726 HydrophobicContact CB-SD 3.92Å; N722-M726 VanDerWaalsContact O-CB 3.29Å; N722-M726 WeakPolarHBondContact O-CB 3.05Å; N722-M726 PolarHBondContact O-N 3.26Å; Q724-M726 VanDerWaalsContact C-N 3.31Å; Q724-M726 PolarHBondContact O-N 3.45Å; M726-V728 VanDerWaalsContact C-N 3.35Å; M726-V728 PolarHBondContact O-N 3.08Å; M726-Q729 PolarHBondContact O-N 2.78Å; M726-M730 HydrophobicContact CG-SD 4.04Å; M726-M730 WeakPolarHBondContact O-CB 3.37Å; M726-M730 VanDerWaalsContact O-CG 3.24Å; M726-M730 WeakPolarHBondContact O-CG 3.25Å; M726-M730 PolarHBondContact O-N 3.47Å
727	R	81.9	Confident	66	Low	105 Å²	105	79 Å²	79	40%	0.396	42%	0.416	S	S	.	.	H	α-helix	trans	-54.2	-48.2	172.2	-76	173.7	-177	157.9	18	112.3	A698 Q699 M700 V723 Q724 M730 S731	A698-R727 WeakPolarHBondContact O-CG 3.44Å; A698-R727 VanDerWaalsContact O-CZ 3.27Å; A698-R727 PolarHBondContact O-NE 3.23Å; A698-R727 PolarHBondContact O-NH2 3.41Å; Q699-R727 VanDerWaalsContact C-NH2 3.29Å; Q699-R727 PolarHBondContact O-NH2 2.89Å; M700-R727 PolarHBondContact O-NH2 3.25Å; V723-R727 WeakPolarHBondContact O-CG 3.33Å; V723-R727 PolarHBondContact O-N 3.18Å; Q724-R727 WeakPolarHBondContact O-CB 3.29Å; Q724-R727 PolarHBondContact O-N 3.37Å; R727-M730 PolarHBondContact O-N 2.04Å; R727-S731 WeakPolarHBondContact O-CB 3.27Å; R727-S731 PolarHBondContact O-N 3.17Å; R727-S731 PolarHBondContact O-OG 2.73Å
728	V	74.1	Confident	64.8	Low	73 Å²	73	83.5 Å²	83.5	44%	0.442	47%	0.468	S	S	.	.	H	α-helix	trans	-64.1	-47.6	-176.4	173.3	0	0	0	0	110.6	Q724 S725 M726 S731 Q732	Q724-V728 WeakPolarHBondContact O-CG2 3.47Å; Q724-V728 PolarHBondContact O-N 2.7Å; S725-V728 PolarHBondContact O-N 2.96Å; M726-V728 VanDerWaalsContact C-N 3.35Å; M726-V728 PolarHBondContact O-N 3.08Å; V728-S731 PolarHBondContact O-N 2.84Å; V728-S731 PolarHBondContact O-OG 3.38Å; V728-Q732 WeakPolarHBondContact O-CG 3.02Å; V728-Q732 PolarHBondContact O-N 3.12Å
729	Q	69.1	Low	64.6	Low	65 Å²	65	85.1 Å²	85.1	30%	0.304	48%	0.48	S	S	.	.	H	α-helix	trans	-61.9	-47.7	176.6	-71.2	-171.5	-3	0	0	112.2	F664 S725 M726 S731 Q732 S733	F664-Q729 VanDerWaalsContact CD2-OE1 3.25Å; S725-Q729 PolarHBondContact O-N 2.89Å; M726-Q729 PolarHBondContact O-N 2.78Å; Q729-S731 PolarHBondContact O-N 2.79Å; Q729-S731 VanDerWaalsContact O-N 3.16Å; Q729-Q732 PolarHBondContact O-N 3.44Å; Q729-S733 PolarHBondContact O-N 2.72Å
730	M	69.9	Low	63.6	Low	87 Å²	87	89.5 Å²	89.5	43%	0.429	51%	0.505	S	S	.	.	H	α-helix	trans	-62.2	-23.8	177.7	-66.6	-179.1	90.8	0	0	113.2	Q695 A698 M726 R727	Q695-M730 HydrophobicContact CB-CE 4.09Å; Q695-M730 HydrophobicContact CG-CE 3.97Å; A698-M730 HydrophobicContact CB-SD 3.97Å; M726-M730 HydrophobicContact CG-SD 4.04Å; M726-M730 WeakPolarHBondContact O-CB 3.37Å; M726-M730 VanDerWaalsContact O-CG 3.24Å; M726-M730 WeakPolarHBondContact O-CG 3.25Å; M726-M730 PolarHBondContact O-N 3.47Å; R727-M730 PolarHBondContact O-N 2.04Å
731	S	64.4	Low	62.6	Low	93 Å²	93	92.6 Å²	92.6	65%	0.65	52%	0.523	S	S	*	.	H	α-helix	trans	-83	-15.8	173.5	75.8	0	0	0	0	114.5	R727 V728 Q729	R727-S731 WeakPolarHBondContact O-CB 3.27Å; R727-S731 PolarHBondContact O-N 3.17Å; R727-S731 PolarHBondContact O-OG 2.73Å; V728-S731 PolarHBondContact O-N 2.84Å; V728-S731 PolarHBondContact O-OG 3.38Å; Q729-S731 PolarHBondContact O-N 2.79Å; Q729-S731 VanDerWaalsContact O-N 3.16Å
732	Q	56.5	Low	61.9	Low	137 Å²	137	96.1 Å²	96.1	64%	0.64	54%	0.54	S	S	*	.	H	α-helix	trans	-98.7	-15.3	-175.4	-75.3	177.8	-0.6	0	0	113.7	V728 Q729 P734	V728-Q732 WeakPolarHBondContact O-CG 3.02Å; V728-Q732 PolarHBondContact O-N 3.12Å; Q729-Q732 PolarHBondContact O-N 3.44Å; Q732-P734 WeakPolarHBondContact O-CD 3.05Å
733	S	48.5	Very low	60.6	Low	70 Å²	70	100.1 Å²	100.1	49%	0.49	56%	0.563	S	S	.	*			trans	-70	111.2	173.7	-58.9	0	0	0	0	111.8	Q729	Q729-S733 PolarHBondContact O-N 2.72Å
734	P	43.3	Very low	58.9	Low	112 Å²	112	106.7 Å²	106.7	73%	0.727	60%	0.601	S	S	*	*			trans	-73.5	148.8	175.1	-10.9	29.5	0	0	0	110.3	Q732 T736	Q732-P734 WeakPolarHBondContact O-CD 3.05Å; P734-T736 PolarHBondContact O-N 2.71Å
735	K	47.3	Very low	57.4	Low	212 Å²	212	106.4 Å²	106.4	92%	0.922	61%	0.606	S	S	*	*			trans	-62.5	120.9	174.7	-66.6	179.4	178.9	-180	0	110.9
736	T	32.2	Very low	56	Low	126 Å²	126	110.3 Å²	110.3	77%	0.773	62%	0.623	S	S	*	*			trans	-92.5	101.9	167.3	-38	0	0	0	0	109.9	P734	P734-T736 PolarHBondContact O-N 2.71Å
737	M	30.4	Very low	54	Low	177 Å²	177	119.3 Å²	119.3	87%	0.872	67%	0.674	S	S	*	*			trans	58.7	102.8	163.1	-60.3	176.4	-174	0	0	117.9
738	A	30.7	Very low	51.5	Low	175 Å²	175	120.6 Å²	120.6	100%	1.446	70%	0.7	S	S	*	*				-93.3	0	120.5	0	0	0	0	0	107.8

Retrieved 738 of 738 residues in 541.7 ms (Link to these results)

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