A0A3Q0KKM5_SCHMA Loading...

BHLH domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KKM5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 567 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	53.5	Low	61.9	Low	228 Å²	228	137.1 Å²	137.1	100%	1.123	66%	0.655	S	S	*	*				0	-20.1	0	-73.6	-176.3	-175.6	0	0	113.6	K3 G4	M1-K3 PolarHBondContact O-N 3.48Å; M1-G4 PolarHBondContact O-N 3.49Å
2	E	55.8	Low	62.9	Low	163 Å²	163	137 Å²	137	76%	0.762	65%	0.65	S	S	*	*	H	α-helix	trans	-67	-35.7	-176	-144.8	171.5	-174.1	0	0	115	G4 Q5 T6	E2-G4 PolarHBondContact O-N 3.45Å; E2-Q5 PolarHBondContact O-N 3.04Å; E2-T6 PolarHBondContact O-N 3.37Å
3	K	54.8	Low	63.8	Low	189 Å²	189	132.8 Å²	132.8	82%	0.822	63%	0.629	S	S	*	*	H	α-helix	trans	-64.7	-21	177.6	-68.7	-174.1	178	-178.6	0	114.4	M1 T6	M1-K3 PolarHBondContact O-N 3.48Å; K3-T6 PolarHBondContact O-OG1 3.1Å; K3-T6 VanDerWaalsContact O-OG1 3.1Å
4	G	56.3	Low	64.7	Low	47 Å²	47	133.2 Å²	133.2	49%	0.485	63%	0.627	S	S	.	*	H	α-helix	trans	-79.9	-29.9	178.1	0	0	0	0	0	113.5	M1 E2 R8	M1-G4 PolarHBondContact O-N 3.49Å; E2-G4 PolarHBondContact O-N 3.45Å; G4-R8 PolarHBondContact O-N 3.48Å
5	Q	59.6	Low	65.3	Low	148 Å²	148	131.9 Å²	131.9	69%	0.692	63%	0.625	S	S	*	*	H	α-helix	trans	-77	-36.7	177.8	-78.9	177	-16.6	0	0	111.8	E2 R8 K9	E2-Q5 PolarHBondContact O-N 3.04Å; Q5-R8 PolarHBondContact O-N 3.26Å; Q5-K9 WeakPolarHBondContact O-CB 3.42Å; Q5-K9 PolarHBondContact O-N 3.2Å
6	T	62.8	Low	66	Low	77 Å²	77	130.8 Å²	130.8	47%	0.472	62%	0.619	S	S	.	*	H	α-helix	trans	-65.3	-41	175.9	51.3	0	0	0	0	112.3	E2 K3 K9 Q10	E2-T6 PolarHBondContact O-N 3.37Å; K3-T6 PolarHBondContact O-OG1 3.1Å; K3-T6 VanDerWaalsContact O-OG1 3.1Å; T6-K9 PolarHBondContact O-N 2.93Å; T6-Q10 WeakPolarHBondContact O-CB 3.37Å; T6-Q10 WeakPolarHBondContact O-CG 3.49Å; T6-Q10 PolarHBondContact O-N 3.32Å
7	F	61.3	Low	66.9	Low	124 Å²	124	131.9 Å²	131.9	54%	0.544	62%	0.621	S	S	.	*	H	α-helix	trans	-65.7	-40.5	177.1	-168.6	-101.6	0	0	0	112.9	Q10 N11	F7-Q10 PolarHBondContact O-N 2.92Å; F7-N11 WeakPolarHBondContact CE1-ND2 3.41Å; F7-N11 PolarHBondContact O-N 3.45Å
8	R	66.3	Low	67.6	Low	204 Å²	204	129.8 Å²	129.8	77%	0.77	61%	0.611	S	S	*	*	H	α-helix	trans	-64.2	-40	174	-80.7	-173.6	178.1	177	0.1	112.2	G4 Q5 N11 K12	G4-R8 PolarHBondContact O-N 3.48Å; Q5-R8 PolarHBondContact O-N 3.26Å; R8-N11 PolarHBondContact O-N 2.91Å; R8-K12 WeakPolarHBondContact O-CB 3.48Å; R8-K12 PolarHBondContact O-N 2.98Å
9	K	69.6	Low	68.6	Low	137 Å²	137	126.1 Å²	126.1	60%	0.596	60%	0.601	S	S	*	*	H	α-helix	trans	-65.5	-43.9	176.8	-165.5	178.1	176.9	-176.4	0	111.4	Q5 T6 N11 K12 E13	Q5-K9 WeakPolarHBondContact O-CB 3.42Å; Q5-K9 PolarHBondContact O-N 3.2Å; T6-K9 PolarHBondContact O-N 2.93Å; K9-N11 PolarHBondContact O-N 3.24Å; K9-K12 PolarHBondContact O-N 3.48Å; K9-E13 WeakPolarHBondContact CE-OE1 3.33Å; K9-E13 WeakPolarHBondContact O-CG 3.45Å; K9-E13 PolarHBondContact O-N 2.96Å
10	Q	68.1	Low	69.5	Low	121 Å²	121	126.5 Å²	126.5	57%	0.565	60%	0.602	S	S	*	*	H	α-helix	trans	-62.3	-41.5	175.3	-75.3	178.9	-7.7	0	0	112.8	T6 F7 E13 K14	T6-Q10 WeakPolarHBondContact O-CB 3.37Å; T6-Q10 WeakPolarHBondContact O-CG 3.49Å; T6-Q10 PolarHBondContact O-N 3.32Å; F7-Q10 PolarHBondContact O-N 2.92Å; Q10-E13 PolarHBondContact O-N 3.43Å; Q10-K14 WeakPolarHBondContact O-CB 3.25Å; Q10-K14 PolarHBondContact O-N 2.89Å
11	N	72.4	Confident	70.5	Confident	70 Å²	70	123 Å²	123	37%	0.374	59%	0.591	S	S	.	*	H	α-helix	trans	-66.7	-37.9	174.8	-88	-16.7	0	0	0	112.5	F7 R8 K9 K14 L15	F7-N11 WeakPolarHBondContact CE1-ND2 3.41Å; F7-N11 PolarHBondContact O-N 3.45Å; R8-N11 PolarHBondContact O-N 2.91Å; K9-N11 PolarHBondContact O-N 3.24Å; N11-K14 PolarHBondContact O-N 3.37Å; N11-L15 WeakPolarHBondContact O-CB 3.37Å; N11-L15 WeakPolarHBondContact O-CD1 3.31Å; N11-L15 VanDerWaalsContact O-CG 3.32Å; N11-L15 WeakPolarHBondContact O-CG 3.38Å; N11-L15 PolarHBondContact O-N 3.18Å
12	K	74.7	Confident	72.2	Confident	136 Å²	136	116.3 Å²	116.3	59%	0.591	56%	0.557	S	S	*	*	H	α-helix	trans	-64.9	-43.2	175.4	-169.1	176.9	-179.6	-179.3	0	111.5	R8 K9 K14 L15 Q16	R8-K12 WeakPolarHBondContact O-CB 3.48Å; R8-K12 PolarHBondContact O-N 2.98Å; K9-K12 PolarHBondContact O-N 3.48Å; K12-K14 VanDerWaalsContact C-N 3.34Å; K12-L15 PolarHBondContact O-N 3.47Å; K12-Q16 WeakPolarHBondContact O-CB 3.47Å; K12-Q16 VanDerWaalsContact O-CG 3.25Å; K12-Q16 WeakPolarHBondContact O-CG 3.36Å; K12-Q16 PolarHBondContact O-N 3.41Å
13	E	74.9	Confident	73.8	Confident	82 Å²	82	113.6 Å²	113.6	38%	0.383	55%	0.546	S	S	.	.	H	α-helix	trans	-64.8	-37.4	174.7	-72.9	172.5	-165.6	0	0	111.9	K9 Q10 Q16 K17	K9-E13 WeakPolarHBondContact CE-OE1 3.33Å; K9-E13 WeakPolarHBondContact O-CG 3.45Å; K9-E13 PolarHBondContact O-N 2.96Å; Q10-E13 PolarHBondContact O-N 3.43Å; E13-Q16 PolarHBondContact O-N 3.38Å; E13-K17 WeakPolarHBondContact O-CB 3.28Å; E13-K17 VanDerWaalsContact O-CG 3.28Å; E13-K17 WeakPolarHBondContact O-CG 3.42Å; E13-K17 PolarHBondContact O-N 3.34Å
14	K	75.4	Confident	75.6	Confident	139 Å²	139	106.6 Å²	106.6	60%	0.604	52%	0.516	S	S	*	.	H	α-helix	trans	-65.7	-47.5	175.7	-168.9	179.4	177.3	-172.2	0	111.8	Q10 N11 K12 Q16 K17 E18	Q10-K14 WeakPolarHBondContact O-CB 3.25Å; Q10-K14 PolarHBondContact O-N 2.89Å; N11-K14 PolarHBondContact O-N 3.37Å; K12-K14 VanDerWaalsContact C-N 3.34Å; K14-Q16 VanDerWaalsContact C-N 3.32Å; K14-Q16 PolarHBondContact O-N 3.1Å; K14-K17 PolarHBondContact O-N 3.48Å; K14-E18 WeakPolarHBondContact O-CB 3.43Å; K14-E18 PolarHBondContact O-N 3.44Å
15	L	74.6	Confident	77.4	Confident	113 Å²	113	110.9 Å²	110.9	59%	0.592	52%	0.518	S	S	*	.	H	α-helix	trans	-62.3	-37.7	175.6	-74.3	162.1	0	0	0	112.1	N11 K12 S19	N11-L15 WeakPolarHBondContact O-CB 3.37Å; N11-L15 WeakPolarHBondContact O-CD1 3.31Å; N11-L15 VanDerWaalsContact O-CG 3.32Å; N11-L15 WeakPolarHBondContact O-CG 3.38Å; N11-L15 PolarHBondContact O-N 3.18Å; K12-L15 PolarHBondContact O-N 3.47Å; L15-S19 VanDerWaalsContact O-CB 3.28Å; L15-S19 WeakPolarHBondContact O-CB 3.25Å; L15-S19 PolarHBondContact O-N 3.37Å
16	Q	75.3	Confident	79.1	Confident	114 Å²	114	110.5 Å²	110.5	53%	0.533	51%	0.514	S	S	.	.	H	α-helix	trans	-67.1	-42.8	174.8	-77.2	176.8	-11.4	0	0	112.3	K12 E13 K14 E18 S19 H20	K12-Q16 WeakPolarHBondContact O-CB 3.47Å; K12-Q16 VanDerWaalsContact O-CG 3.25Å; K12-Q16 WeakPolarHBondContact O-CG 3.36Å; K12-Q16 PolarHBondContact O-N 3.41Å; E13-Q16 PolarHBondContact O-N 3.38Å; K14-Q16 VanDerWaalsContact C-N 3.32Å; K14-Q16 PolarHBondContact O-N 3.1Å; Q16-E18 VanDerWaalsContact C-N 3.35Å; Q16-S19 PolarHBondContact O-N 3.1Å; Q16-H20 WeakPolarHBondContact O-CB 3.35Å; Q16-H20 PolarHBondContact O-N 2.89Å
17	K	81.8	Confident	80.6	Confident	150 Å²	150	113.5 Å²	113.5	65%	0.652	52%	0.517	S	S	*	.	H	α-helix	trans	-64.3	-40.3	175.1	-75.5	175.2	-179.3	179.4	0	111.8	E13 K14 H20 S21	E13-K17 WeakPolarHBondContact O-CB 3.28Å; E13-K17 VanDerWaalsContact O-CG 3.28Å; E13-K17 WeakPolarHBondContact O-CG 3.42Å; E13-K17 PolarHBondContact O-N 3.34Å; K14-K17 PolarHBondContact O-N 3.48Å; K17-H20 PolarHBondContact O-N 3.25Å; K17-S21 WeakPolarHBondContact O-CB 3.28Å; K17-S21 PolarHBondContact O-N 3.12Å; K17-S21 PolarHBondContact O-OG 2.93Å
18	E	79.6	Confident	82.2	Confident	95 Å²	95	115.2 Å²	115.2	44%	0.444	52%	0.52	S	S	.	.	H	α-helix	trans	-64.7	-48.3	176.4	-171.3	164.5	-158.7	0	0	110.9	K14 Q16 H20 S21 E22	K14-E18 WeakPolarHBondContact O-CB 3.43Å; K14-E18 PolarHBondContact O-N 3.44Å; Q16-E18 VanDerWaalsContact C-N 3.35Å; E18-H20 PolarHBondContact O-N 2.84Å; E18-S21 PolarHBondContact O-N 2.9Å; E18-S21 VanDerWaalsContact O-N 3.12Å; E18-S21 PolarHBondContact O-OG 3.47Å; E18-E22 WeakPolarHBondContact O-CG 3.48Å; E18-E22 PolarHBondContact O-N 3.26Å
19	S	85.8	Confident	83.5	Confident	59 Å²	59	110.6 Å²	110.6	41%	0.413	51%	0.507	S	S	.	.	H	α-helix	trans	-58.3	-45.2	173.9	179.6	0	0	0	0	112.7	L15 Q16 S21 E22 I23	L15-S19 VanDerWaalsContact O-CB 3.28Å; L15-S19 WeakPolarHBondContact O-CB 3.25Å; L15-S19 PolarHBondContact O-N 3.37Å; Q16-S19 PolarHBondContact O-N 3.1Å; S19-S21 VanDerWaalsContact C-N 3.32Å; S19-S21 PolarHBondContact O-N 2.93Å; S19-E22 PolarHBondContact O-N 3.48Å; S19-I23 WeakPolarHBondContact O-CB 3.28Å; S19-I23 WeakPolarHBondContact O-CD1 3.49Å; S19-I23 VanDerWaalsContact O-CG1 3.26Å; S19-I23 WeakPolarHBondContact O-CG1 3.28Å; S19-I23 PolarHBondContact O-N 3.42Å
20	H	88.3	Confident	84.6	Confident	133 Å²	133	112.2 Å²	112.2	62%	0.616	51%	0.509	S	S	*	.	H	α-helix	trans	-62.3	-40.1	175.4	-173.7	66.8	0	0	0	111.8	Q16 K17 E18 I23 E24	Q16-H20 WeakPolarHBondContact O-CB 3.35Å; Q16-H20 PolarHBondContact O-N 2.89Å; K17-H20 PolarHBondContact O-N 3.25Å; E18-H20 PolarHBondContact O-N 2.84Å; H20-I23 PolarHBondContact O-N 3.06Å; H20-E24 VanDerWaalsContact O-CB 3.31Å; H20-E24 WeakPolarHBondContact O-CB 3.26Å; H20-E24 PolarHBondContact O-N 3.44Å
21	S	90.7	Very high	85.8	Confident	53 Å²	53	109.8 Å²	109.8	37%	0.371	50%	0.499	S	S	.	.	H	α-helix	trans	-66.2	-35.6	177.1	77.9	0	0	0	0	113	K17 E18 S19 R25	K17-S21 WeakPolarHBondContact O-CB 3.28Å; K17-S21 PolarHBondContact O-N 3.12Å; K17-S21 PolarHBondContact O-OG 2.93Å; E18-S21 PolarHBondContact O-N 2.9Å; E18-S21 VanDerWaalsContact O-N 3.12Å; E18-S21 PolarHBondContact O-OG 3.47Å; S19-S21 VanDerWaalsContact C-N 3.32Å; S19-S21 PolarHBondContact O-N 2.93Å; S21-R25 WeakPolarHBondContact O-CB 3.5Å; S21-R25 PolarHBondContact O-N 3.27Å
22	E	89.1	Confident	86.8	Confident	89 Å²	89	112.2 Å²	112.2	42%	0.416	51%	0.506	S	S	.	.	H	α-helix	trans	-72	-42.6	175.8	-73.5	-176.9	171.6	0	0	112.3	E18 S19 E24 R25 K26	E18-E22 WeakPolarHBondContact O-CG 3.48Å; E18-E22 PolarHBondContact O-N 3.26Å; S19-E22 PolarHBondContact O-N 3.48Å; E22-E24 VanDerWaalsContact C-N 3.34Å; E22-R25 PolarHBondContact O-N 2.9Å; E22-K26 WeakPolarHBondContact O-CG 3.32Å; E22-K26 PolarHBondContact O-N 3.01Å
23	I	89.4	Confident	87.6	Confident	105 Å²	105	111.2 Å²	111.2	54%	0.538	51%	0.506	S	S	.	.	H	α-helix	trans	-61.5	-46.2	175.5	-69	164.5	0	0	0	109.9	S19 H20 R25 K26 R27	S19-I23 WeakPolarHBondContact O-CB 3.28Å; S19-I23 WeakPolarHBondContact O-CD1 3.49Å; S19-I23 VanDerWaalsContact O-CG1 3.26Å; S19-I23 WeakPolarHBondContact O-CG1 3.28Å; S19-I23 PolarHBondContact O-N 3.42Å; H20-I23 PolarHBondContact O-N 3.06Å; I23-R25 VanDerWaalsContact C-N 3.34Å; I23-R25 PolarHBondContact O-N 3.48Å; I23-K26 PolarHBondContact O-N 2.89Å; I23-R27 PolarHBondContact O-N 2.91Å
24	E	92.7	Very high	88.4	Confident	42 Å²	42	112.8 Å²	112.8	20%	0.196	51%	0.514	C	S	.	.	H	α-helix	trans	-65.9	-36.3	177.6	178.4	58.7	-168.6	0	0	112	H20 E22 R27 R28	H20-E24 VanDerWaalsContact O-CB 3.31Å; H20-E24 WeakPolarHBondContact O-CB 3.26Å; H20-E24 PolarHBondContact O-N 3.44Å; E22-E24 VanDerWaalsContact C-N 3.34Å; E24-R27 PolarHBondContact O-N 3.38Å; E24-R27 IonicContact OE1-CZ 2.72Å; E24-R27 IonicContact OE1-NE 3.01Å; E24-R27 IonicContact OE1-NH2 3.62Å; E24-R27 PolarHBondContact OE1-NH2 2.67Å; E24-R27 IonicContact OE2-CZ 3.9Å; E24-R27 IonicContact OE2-NE 3.25Å; E24-R27 PolarHBondContact OE2-NE 3.11Å; E24-R27 IonicContact OE2-NH2 3.51Å; E24-R27 PolarHBondContact OE2-NH2 2.79Å; E24-R27 VanDerWaalsContact OE2-NH2 3.11Å; E24-R28 WeakPolarHBondContact O-CG 3.44Å; E24-R28 PolarHBondContact O-N 3.31Å; E24-R28 IonicContact OE1-CZ 2.65Å; E24-R28 IonicContact OE1-NE 2.66Å; E24-R28 PolarHBondContact OE1-NE 2.88Å; E24-R28 IonicContact OE1-NH2 4Å; E24-R28 PolarHBondContact OE1-NH2 3.48Å
25	R	93.8	Very high	89	Confident	137 Å²	137	106.6 Å²	106.6	52%	0.517	49%	0.488	S	S	.	.	H	α-helix	trans	-59.5	-50.4	172.2	-174.6	-174.5	-64.6	123.9	1	111.1	S21 E22 I23 R27 R28 E29	S21-R25 WeakPolarHBondContact O-CB 3.5Å; S21-R25 PolarHBondContact O-N 3.27Å; E22-R25 PolarHBondContact O-N 2.9Å; I23-R25 VanDerWaalsContact C-N 3.34Å; I23-R25 PolarHBondContact O-N 3.48Å; R25-R27 VanDerWaalsContact C-N 3.32Å; R25-R27 PolarHBondContact O-N 3.22Å; R25-R28 PolarHBondContact O-N 3.48Å; R25-E29 WeakPolarHBondContact O-CG 3.38Å; R25-E29 PolarHBondContact O-N 2.59Å
26	K	93.6	Very high	89.7	Confident	141 Å²	141	105.3 Å²	105.3	61%	0.613	48%	0.479	S	S	*	.	H	α-helix	trans	-60.1	-39.2	177.1	-72.9	179.4	179	179.1	0	112.4	E22 I23 E29 R30	E22-K26 WeakPolarHBondContact O-CG 3.32Å; E22-K26 PolarHBondContact O-N 3.01Å; I23-K26 PolarHBondContact O-N 2.89Å; K26-E29 PolarHBondContact O-N 2.95Å; K26-R30 PolarHBondContact O-N 2.87Å
27	R	94.9	Very high	90.3	Very high	139 Å²	139	105.3 Å²	105.3	53%	0.525	48%	0.477	S	S	.	.	H	α-helix	trans	-63	-43	175.9	-167.8	-179.4	74.4	112.9	3	111.8	I23 E24 R25 R30 M31	I23-R27 PolarHBondContact O-N 2.91Å; E24-R27 PolarHBondContact O-N 3.38Å; E24-R27 IonicContact OE1-CZ 2.72Å; E24-R27 IonicContact OE1-NE 3.01Å; E24-R27 IonicContact OE1-NH2 3.62Å; E24-R27 PolarHBondContact OE1-NH2 2.67Å; E24-R27 IonicContact OE2-CZ 3.9Å; E24-R27 IonicContact OE2-NE 3.25Å; E24-R27 PolarHBondContact OE2-NE 3.11Å; E24-R27 IonicContact OE2-NH2 3.51Å; E24-R27 PolarHBondContact OE2-NH2 2.79Å; E24-R27 VanDerWaalsContact OE2-NH2 3.11Å; R25-R27 VanDerWaalsContact C-N 3.32Å; R25-R27 PolarHBondContact O-N 3.22Å; R27-R30 PolarHBondContact O-N 3.32Å; R27-M31 WeakPolarHBondContact O-CB 3.46Å; R27-M31 PolarHBondContact O-N 3.19Å
28	R	94.7	Very high	90.5	Very high	161 Å²	161	100 Å²	100	61%	0.608	46%	0.456	S	S	*	.	H	α-helix	trans	-66.6	-37.9	176.6	-71.1	177.3	-173.2	-149	2.7	112.5	E24 R25 K32	E24-R28 WeakPolarHBondContact O-CG 3.44Å; E24-R28 PolarHBondContact O-N 3.31Å; E24-R28 IonicContact OE1-CZ 2.65Å; E24-R28 IonicContact OE1-NE 2.66Å; E24-R28 PolarHBondContact OE1-NE 2.88Å; E24-R28 IonicContact OE1-NH2 4Å; E24-R28 PolarHBondContact OE1-NH2 3.48Å; R25-R28 PolarHBondContact O-N 3.48Å; R28-K32 WeakPolarHBondContact O-CB 3.01Å; R28-K32 PolarHBondContact O-N 2.94Å
29	E	93.8	Very high	90.9	Very high	106 Å²	106	98.1 Å²	98.1	50%	0.495	45%	0.447	S	S	.	.	H	α-helix	trans	-64	-45.7	174.5	-74.5	169.5	-176.4	0	0	111.5	R25 K26 K32 L33	R25-E29 WeakPolarHBondContact O-CG 3.38Å; R25-E29 PolarHBondContact O-N 2.59Å; K26-E29 PolarHBondContact O-N 2.95Å; E29-K32 WeakPolarHBondContact O-CB 3.36Å; E29-K32 PolarHBondContact O-N 3.11Å; E29-L33 WeakPolarHBondContact O-CG 3.33Å; E29-L33 PolarHBondContact O-N 3.29Å
30	R	94	Very high	90.9	Very high	172 Å²	172	103 Å²	103	65%	0.649	46%	0.456	S	S	*	.	H	α-helix	trans	-59.7	-50.3	174.6	-174.9	-176.5	-63	-178.1	-2.1	112	K26 R27 K32 L33 E34	K26-R30 PolarHBondContact O-N 2.87Å; R27-R30 PolarHBondContact O-N 3.32Å; R30-K32 PolarHBondContact O-N 3.35Å; R30-L33 WeakPolarHBondContact O-CB 3.43Å; R30-L33 PolarHBondContact O-N 3.47Å; R30-L33 VanDerWaalsContact O-N 3.1Å; R30-E34 WeakPolarHBondContact CD-OE1 3.38Å; R30-E34 HydrophobicContact CG-CG 4.49Å; R30-E34 VanDerWaalsContact CG-OE1 3.3Å; R30-E34 WeakPolarHBondContact CG-OE1 3.28Å; R30-E34 WeakPolarHBondContact O-CG 3.32Å; R30-E34 PolarHBondContact O-N 3.37Å
31	M	93.3	Very high	90.6	Very high	70 Å²	70	100.9 Å²	100.9	35%	0.345	45%	0.447	S	S	.	.	H	α-helix	trans	-58.5	-36.7	177.2	-179.4	-174.4	-71.5	0	0	111.7	R27 T35	R27-M31 WeakPolarHBondContact O-CB 3.46Å; R27-M31 PolarHBondContact O-N 3.19Å; M31-T35 VanDerWaalsContact O-CB 3.31Å; M31-T35 WeakPolarHBondContact O-CB 3.4Å; M31-T35 PolarHBondContact O-N 3.19Å; M31-T35 PolarHBondContact O-OG1 3.3Å
32	K	92.2	Very high	90.1	Very high	121 Å²	121	98.6 Å²	98.6	53%	0.526	43%	0.43	S	S	.	.	H	α-helix	trans	-63.5	-47.1	175.6	-179	-179.1	170.9	-173.9	0	111.1	R28 E29 R30 E34 T35 E36	R28-K32 WeakPolarHBondContact O-CB 3.01Å; R28-K32 PolarHBondContact O-N 2.94Å; E29-K32 WeakPolarHBondContact O-CB 3.36Å; E29-K32 PolarHBondContact O-N 3.11Å; R30-K32 PolarHBondContact O-N 3.35Å; K32-E34 PolarHBondContact O-N 2.94Å; K32-T35 PolarHBondContact O-N 2.99Å; K32-E36 WeakPolarHBondContact CE-OE1 3.31Å; K32-E36 IonicContact NZ-OE1 3.26Å; K32-E36 WeakPolarHBondContact O-CB 3.38Å; K32-E36 WeakPolarHBondContact O-CG 3.25Å; K32-E36 PolarHBondContact O-N 2.94Å
33	L	91.8	Very high	89.4	Confident	114 Å²	114	98.2 Å²	98.2	60%	0.597	44%	0.435	S	S	*	.	H	α-helix	trans	-61.2	-43.4	177	-69	171.2	0	0	0	112.2	E29 R30 E36 F37	E29-L33 WeakPolarHBondContact O-CG 3.33Å; E29-L33 PolarHBondContact O-N 3.29Å; R30-L33 WeakPolarHBondContact O-CB 3.43Å; R30-L33 PolarHBondContact O-N 3.47Å; R30-L33 VanDerWaalsContact O-N 3.1Å; L33-E36 PolarHBondContact O-N 3.17Å; L33-F37 WeakPolarHBondContact O-CB 3.47Å; L33-F37 PolarHBondContact O-N 3.11Å
34	E	91.1	Very high	88.3	Confident	115 Å²	115	99.4 Å²	99.4	54%	0.537	44%	0.438	S	S	.	.	H	α-helix	trans	-64.3	-41.1	176.2	-70.6	168.1	-175.2	0	0	111.6	R30 K32 F37 L38	R30-E34 WeakPolarHBondContact CD-OE1 3.38Å; R30-E34 HydrophobicContact CG-CG 4.49Å; R30-E34 VanDerWaalsContact CG-OE1 3.3Å; R30-E34 WeakPolarHBondContact CG-OE1 3.28Å; R30-E34 WeakPolarHBondContact O-CG 3.32Å; R30-E34 PolarHBondContact O-N 3.37Å; K32-E34 PolarHBondContact O-N 2.94Å; E34-F37 WeakPolarHBondContact O-CB 3.37Å; E34-F37 PolarHBondContact O-N 3.29Å; E34-L38 PolarHBondContact O-N 2.96Å
35	T	89.6	Confident	86.6	Confident	10 Å²	10	102.4 Å²	102.4	6%	0.061	46%	0.464	C	S	.	.	H	α-helix	trans	-66.5	-41.4	176.7	-54.2	0	0	0	0	111.4	M31 K32 F37 L38 H39 K50 I53	M31-T35 VanDerWaalsContact O-CB 3.31Å; M31-T35 WeakPolarHBondContact O-CB 3.4Å; M31-T35 PolarHBondContact O-N 3.19Å; M31-T35 PolarHBondContact O-OG1 3.3Å; K32-T35 PolarHBondContact O-N 2.99Å; T35-F37 VanDerWaalsContact C-N 3.34Å; T35-L38 PolarHBondContact O-N 2.95Å; T35-H39 VanDerWaalsContact O-CB 3.32Å; T35-H39 WeakPolarHBondContact O-CB 3.46Å; T35-H39 PolarHBondContact O-N 2.96Å; T35-K50 HydrophobicContact CG2-CG 4.35Å; T35-I53 HydrophobicContact CG2-CB 4.48Å; T35-I53 HydrophobicContact CG2-CD1 3.67Å; T35-I53 HydrophobicContact CG2-CG2 4.25Å
36	E	87.7	Confident	85.1	Confident	85 Å²	85	103.4 Å²	103.4	40%	0.397	48%	0.475	S	S	.	.	H	α-helix	trans	-66.7	-35.9	175.6	-75.5	173.9	177.4	0	0	111.8	K32 L33 H39 R40	K32-E36 WeakPolarHBondContact CE-OE1 3.31Å; K32-E36 IonicContact NZ-OE1 3.26Å; K32-E36 WeakPolarHBondContact O-CB 3.38Å; K32-E36 WeakPolarHBondContact O-CG 3.25Å; K32-E36 PolarHBondContact O-N 2.94Å; L33-E36 PolarHBondContact O-N 3.17Å; E36-H39 PolarHBondContact O-N 2.82Å; E36-R40 WeakPolarHBondContact O-CG 3.45Å; E36-R40 PolarHBondContact O-N 3.17Å; E36-R40 PolarHBondContact O-NE 3.34Å
37	F	87.8	Confident	84.1	Confident	114 Å²	114	97.2 Å²	97.2	50%	0.5	45%	0.449	S	S	.	.	H	α-helix	trans	-62.5	-49.1	171.4	179	-103.3	0	0	0	111.7	L33 E34 T35 H39 R40 Q41	L33-F37 WeakPolarHBondContact O-CB 3.47Å; L33-F37 PolarHBondContact O-N 3.11Å; E34-F37 WeakPolarHBondContact O-CB 3.37Å; E34-F37 PolarHBondContact O-N 3.29Å; T35-F37 VanDerWaalsContact C-N 3.34Å; F37-H39 VanDerWaalsContact C-N 3.33Å; F37-H39 PolarHBondContact O-N 2.84Å; F37-R40 PolarHBondContact O-N 3.42Å; F37-Q41 PolarHBondContact O-N 3.18Å
38	L	87	Confident	83.4	Confident	40 Å²	40	100.3 Å²	100.3	21%	0.209	47%	0.466	C	S	.	.	H	α-helix	trans	-62.7	-39.4	175.7	-177.7	59.6	0	0	0	112	E34 T35 R40 Q41 V42 I53 F54	E34-L38 PolarHBondContact O-N 2.96Å; T35-L38 PolarHBondContact O-N 2.95Å; L38-R40 VanDerWaalsContact C-N 3.29Å; L38-R40 PolarHBondContact O-N 2.85Å; L38-Q41 CarbonylContact O-C 3.35Å; L38-Q41 WeakPolarHBondContact O-CA 3.5Å; L38-Q41 WeakPolarHBondContact O-CB 3.48Å; L38-Q41 PolarHBondContact O-N 3.39Å; L38-V42 HydrophobicContact CD1-CG1 4.31Å; L38-V42 PolarHBondContact O-N 3.36Å; L38-V42 VanDerWaalsContact O-N 3.16Å; L38-I53 HydrophobicContact CB-CG2 4.14Å; L38-I53 HydrophobicContact CD2-CG2 3.94Å; L38-I53 HydrophobicContact CG-CG2 3.84Å; L38-F54 HydrophobicContact CD2-CD1 3.89Å; L38-F54 HydrophobicContact CD2-CE1 4.17Å
39	H	87.8	Confident	83.1	Confident	54 Å²	54	96.3 Å²	96.3	25%	0.25	46%	0.457	C	S	.	.	H	α-helix	trans	-57.6	-41.3	177.8	-173	-130.3	0	0	0	112.4	T35 E36 F37 Q41 V42 C47 I53	T35-H39 VanDerWaalsContact O-CB 3.32Å; T35-H39 WeakPolarHBondContact O-CB 3.46Å; T35-H39 PolarHBondContact O-N 2.96Å; E36-H39 PolarHBondContact O-N 2.82Å; F37-H39 VanDerWaalsContact C-N 3.33Å; F37-H39 PolarHBondContact O-N 2.84Å; H39-Q41 PolarHBondContact O-N 3.36Å; H39-V42 WeakPolarHBondContact O-CG2 3.43Å; H39-V42 PolarHBondContact O-N 3.3Å; H39-C47 PolarHBondContact NE2-O 2.89Å; H39-C47 VanDerWaalsContact NE2-O 3.11Å; H39-I53 HydrophobicContact CB-CD1 4Å; H39-I53 HydrophobicContact CB-CG1 4.38Å; H39-I53 HydrophobicContact CB-CG2 4.26Å
40	R	85	Confident	82.9	Confident	161 Å²	161	96.4 Å²	96.4	61%	0.608	46%	0.456	S	S	*	.	H	α-helix	trans	-65.1	-21.3	174.8	-72.9	-178.4	-71.7	-150.6	-1.1	113.6	E36 F37 L38	E36-R40 WeakPolarHBondContact O-CG 3.45Å; E36-R40 PolarHBondContact O-N 3.17Å; E36-R40 PolarHBondContact O-NE 3.34Å; F37-R40 PolarHBondContact O-N 3.42Å; L38-R40 VanDerWaalsContact C-N 3.29Å; L38-R40 PolarHBondContact O-N 2.85Å
41	Q	82.2	Confident	82.8	Confident	90 Å²	90	93.8 Å²	93.8	42%	0.421	45%	0.454	S	S	.	.	H	α-helix	trans	-95.3	-11.4	-179.9	-63.6	-174	4.5	0	0	113.6	F37 L38 H39 R60	F37-Q41 PolarHBondContact O-N 3.18Å; L38-Q41 CarbonylContact O-C 3.35Å; L38-Q41 WeakPolarHBondContact O-CA 3.5Å; L38-Q41 WeakPolarHBondContact O-CB 3.48Å; L38-Q41 PolarHBondContact O-N 3.39Å; H39-Q41 PolarHBondContact O-N 3.36Å; Q41-R60 PolarHBondContact O-NH1 2.99Å
42	V	81.2	Confident	82.5	Confident	4 Å²	4	92.2 Å²	92.2	2%	0.024	45%	0.45	C	S	.	.	S	Bend	trans	-102.8	156.7	176.6	-63.6	0	0	0	0	110.3	L38 H39 H44 C47 I53 A56	L38-V42 HydrophobicContact CD1-CG1 4.31Å; L38-V42 PolarHBondContact O-N 3.36Å; L38-V42 VanDerWaalsContact O-N 3.16Å; H39-V42 WeakPolarHBondContact O-CG2 3.43Å; H39-V42 PolarHBondContact O-N 3.3Å; V42-H44 PolarHBondContact O-N 2.96Å; V42-H44 VanDerWaalsContact O-N 3.1Å; V42-C47 HydrophobicContact CG2-CB 4.49Å; V42-I53 HydrophobicContact CG2-CG2 4.45Å; V42-A56 HydrophobicContact CB-CB 3.94Å; V42-A56 HydrophobicContact CG1-CB 3.94Å; V42-A56 HydrophobicContact CG2-CB 4.33Å
43	P	73.5	Confident	82.3	Confident	81 Å²	81	87.1 Å²	87.1	53%	0.526	43%	0.428	S	S	.	.			trans	-54.2	118.7	176.7	-25.4	34.7	0	0	0	111.8	S45	P43-S45 PolarHBondContact O-N 2.96Å; P43-S45 VanDerWaalsContact O-N 3.08Å
44	H	65.8	Low	82.3	Confident	130 Å²	130	86.6 Å²	86.6	60%	0.602	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-22.5	-170.9	-70.1	84.2	0	0	0	114.2	V42 Q46	V42-H44 PolarHBondContact O-N 2.96Å; V42-H44 VanDerWaalsContact O-N 3.1Å; H44-Q46 PolarHBondContact O-N 2.68Å
45	S	58.5	Low	82.2	Confident	105 Å²	105	85.5 Å²	85.5	73%	0.734	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-14.8	-165.8	51.6	0	0	0	0	115.1	P43	P43-S45 PolarHBondContact O-N 2.96Å; P43-S45 VanDerWaalsContact O-N 3.08Å
46	Q	61.8	Low	82	Confident	158 Å²	158	85.9 Å²	85.9	74%	0.738	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.8	-16.8	-170.7	-63.2	-173.2	-6.9	0	0	115	H44	H44-Q46 PolarHBondContact O-N 2.68Å
47	C	72.7	Confident	81.9	Confident	11 Å²	11	82.5 Å²	82.5	7%	0.074	41%	0.411	C	S	.	.			trans	-99.9	102.7	-170.4	-57.4	0	0	0	0	111.7	H39 V42 I53 A56	H39-C47 PolarHBondContact NE2-O 2.89Å; H39-C47 VanDerWaalsContact NE2-O 3.11Å; V42-C47 HydrophobicContact CG2-CB 4.49Å; C47-I53 HydrophobicContact CB-CG1 3.68Å; C47-A56 VanDerWaalsContact SG-CB 3.51Å
48	K	79.7	Confident	81.8	Confident	205 Å²	205	79.3 Å²	79.3	89%	0.891	41%	0.406	S	S	*	.			trans	-103.4	-31.7	177.2	-69.1	-174.6	179.7	177.4	0	114
49	D	88.9	Confident	81.6	Confident	76 Å²	76	83.7 Å²	83.7	41%	0.406	43%	0.425	S	S	.	.	S	Bend	trans	-115.5	165.1	-178.7	68.8	92.4	0	0	0	111.1	L51 S52 I53	D49-L51 VanDerWaalsContact C-N 3.31Å; D49-L51 PolarHBondContact O-N 3Å; D49-L51 WeakPolarHBondContact OD1-CA 3.36Å; D49-L51 VanDerWaalsContact OD1-CB 3.28Å; D49-L51 WeakPolarHBondContact OD1-CB 3.46Å; D49-L51 PolarHBondContact OD1-N 2.94Å; D49-S52 PolarHBondContact O-N 3.45Å; D49-S52 PolarHBondContact OD1-N 3.28Å; D49-S52 VanDerWaalsContact OD2-CB 3.28Å; D49-S52 WeakPolarHBondContact OD2-CB 3.32Å; D49-S52 PolarHBondContact OD2-OG 3.26Å; D49-I53 WeakPolarHBondContact O-CG1 3.35Å; D49-I53 PolarHBondContact O-N 2.97Å
50	K	89.6	Confident	81.1	Confident	109 Å²	109	87.3 Å²	87.3	47%	0.474	44%	0.436	S	S	.	.	H	α-helix	trans	-59.1	-40.9	-177	-65	-171.6	174.8	-171.9	0	112.6	T35 I53 F54	T35-K50 HydrophobicContact CG2-CG 4.35Å; K50-I53 PolarHBondContact O-N 3.22Å; K50-F54 HydrophobicContact CB-CE2 4.39Å; K50-F54 WeakPolarHBondContact O-CD2 3.38Å; K50-F54 PolarHBondContact O-N 3.39Å; K50-F54 VanDerWaalsContact O-N 3.11Å
51	L	90.7	Very high	80.7	Confident	116 Å²	116	84.7 Å²	84.7	61%	0.607	43%	0.434	S	S	*	.	H	α-helix	trans	-66	-44.1	-176.9	179.3	63.7	0	0	0	110.2	D49 I53 F54 L55	D49-L51 VanDerWaalsContact C-N 3.31Å; D49-L51 PolarHBondContact O-N 3Å; D49-L51 WeakPolarHBondContact OD1-CA 3.36Å; D49-L51 VanDerWaalsContact OD1-CB 3.28Å; D49-L51 WeakPolarHBondContact OD1-CB 3.46Å; D49-L51 PolarHBondContact OD1-N 2.94Å; L51-I53 VanDerWaalsContact C-N 3.3Å; L51-I53 PolarHBondContact O-N 3.1Å; L51-F54 PolarHBondContact O-N 3.03Å; L51-L55 HydrophobicContact CD1-CD1 4.44Å; L51-L55 HydrophobicContact CD1-CG 4.38Å; L51-L55 HydrophobicContact CG-CD1 4.03Å; L51-L55 HydrophobicContact CG-CG 4.41Å; L51-L55 WeakPolarHBondContact O-CG 3.5Å; L51-L55 PolarHBondContact O-N 2.87Å
52	S	88.8	Confident	80.5	Confident	38 Å²	38	85 Å²	85	27%	0.266	44%	0.438	S	S	.	.	H	α-helix	trans	-59.8	-38.1	175.3	-62	0	0	0	0	112.9	D49 L55 A56	D49-S52 PolarHBondContact O-N 3.45Å; D49-S52 PolarHBondContact OD1-N 3.28Å; D49-S52 VanDerWaalsContact OD2-CB 3.28Å; D49-S52 WeakPolarHBondContact OD2-CB 3.32Å; D49-S52 PolarHBondContact OD2-OG 3.26Å; S52-L55 PolarHBondContact O-N 3.42Å; S52-A56 WeakPolarHBondContact O-CB 2.89Å; S52-A56 PolarHBondContact O-N 3.38Å
53	I	87.8	Confident	79.9	Confident	13 Å²	13	89.8 Å²	89.8	7%	0.067	46%	0.459	C	S	.	.	H	α-helix	trans	-62.6	-46.3	175.1	-63	166.3	0	0	0	110.9	T35 L38 H39 V42 C47 D49 K50 L51 G57	T35-I53 HydrophobicContact CG2-CB 4.48Å; T35-I53 HydrophobicContact CG2-CD1 3.67Å; T35-I53 HydrophobicContact CG2-CG2 4.25Å; L38-I53 HydrophobicContact CB-CG2 4.14Å; L38-I53 HydrophobicContact CD2-CG2 3.94Å; L38-I53 HydrophobicContact CG-CG2 3.84Å; H39-I53 HydrophobicContact CB-CD1 4Å; H39-I53 HydrophobicContact CB-CG1 4.38Å; H39-I53 HydrophobicContact CB-CG2 4.26Å; V42-I53 HydrophobicContact CG2-CG2 4.45Å; C47-I53 HydrophobicContact CB-CG1 3.68Å; D49-I53 WeakPolarHBondContact O-CG1 3.35Å; D49-I53 PolarHBondContact O-N 2.97Å; K50-I53 PolarHBondContact O-N 3.22Å; L51-I53 VanDerWaalsContact C-N 3.3Å; L51-I53 PolarHBondContact O-N 3.1Å; I53-G57 PolarHBondContact O-N 3.08Å
54	F	90.9	Very high	79.5	Confident	103 Å²	103	89.7 Å²	89.7	45%	0.452	45%	0.449	S	S	.	.	H	α-helix	trans	-66.8	-40.2	178.6	-73.7	-65.5	0	0	0	112.5	L38 K50 L51 G57 A58	L38-F54 HydrophobicContact CD2-CD1 3.89Å; L38-F54 HydrophobicContact CD2-CE1 4.17Å; K50-F54 HydrophobicContact CB-CE2 4.39Å; K50-F54 WeakPolarHBondContact O-CD2 3.38Å; K50-F54 PolarHBondContact O-N 3.39Å; K50-F54 VanDerWaalsContact O-N 3.11Å; L51-F54 PolarHBondContact O-N 3.03Å; F54-G57 PolarHBondContact O-N 3.3Å; F54-A58 WeakPolarHBondContact O-CB 3.3Å; F54-A58 PolarHBondContact O-N 3.47Å
55	L	88.7	Confident	79.5	Confident	93 Å²	93	88 Å²	88	49%	0.487	44%	0.444	S	S	.	.	H	α-helix	trans	-61.3	-48.2	175.4	-73.7	171.6	0	0	0	111	L51 S52 G57 A58 E59	L51-L55 HydrophobicContact CD1-CD1 4.44Å; L51-L55 HydrophobicContact CD1-CG 4.38Å; L51-L55 HydrophobicContact CG-CD1 4.03Å; L51-L55 HydrophobicContact CG-CG 4.41Å; L51-L55 WeakPolarHBondContact O-CG 3.5Å; L51-L55 PolarHBondContact O-N 2.87Å; S52-L55 PolarHBondContact O-N 3.42Å; L55-G57 VanDerWaalsContact C-N 3.29Å; L55-G57 PolarHBondContact O-N 2.81Å; L55-A58 PolarHBondContact O-N 3.42Å; L55-E59 WeakPolarHBondContact O-CB 3.3Å; L55-E59 WeakPolarHBondContact O-CG 3.49Å; L55-E59 PolarHBondContact O-N 3.46Å
56	A	86.1	Confident	79.8	Confident	18 Å²	18	89 Å²	89	15%	0.149	44%	0.442	C	S	.	.	H	α-helix	trans	-62.3	-36.5	176.5	0	0	0	0	0	112.4	V42 C47 S52 R60	V42-A56 HydrophobicContact CB-CB 3.94Å; V42-A56 HydrophobicContact CG1-CB 3.94Å; V42-A56 HydrophobicContact CG2-CB 4.33Å; C47-A56 VanDerWaalsContact SG-CB 3.51Å; S52-A56 WeakPolarHBondContact O-CB 2.89Å; S52-A56 PolarHBondContact O-N 3.38Å; A56-R60 VanDerWaalsContact O-CB 3.25Å; A56-R60 WeakPolarHBondContact O-CB 3.45Å; A56-R60 PolarHBondContact O-N 3.35Å
57	G	86.4	Confident	79.6	Confident	14 Å²	14	86.2 Å²	86.2	14%	0.144	43%	0.427	C	S	.	.	H	α-helix	trans	-64.9	-44.2	173.5	0	0	0	0	0	112.6	I53 F54 L55 R60 L61	I53-G57 PolarHBondContact O-N 3.08Å; F54-G57 PolarHBondContact O-N 3.3Å; L55-G57 VanDerWaalsContact C-N 3.29Å; L55-G57 PolarHBondContact O-N 2.81Å; G57-R60 PolarHBondContact O-N 3.45Å; G57-L61 PolarHBondContact O-N 2.88Å
58	A	85	Confident	78.8	Confident	47 Å²	47	87.5 Å²	87.5	39%	0.388	43%	0.433	S	S	.	.	H	α-helix	trans	-66.7	-45.1	177.7	0	0	0	0	0	111.9	F54 L55 R60 L61 I62	F54-A58 WeakPolarHBondContact O-CB 3.3Å; F54-A58 PolarHBondContact O-N 3.47Å; L55-A58 PolarHBondContact O-N 3.42Å; A58-R60 VanDerWaalsContact C-N 3.3Å; A58-R60 PolarHBondContact O-N 3.44Å; A58-L61 PolarHBondContact O-N 3.43Å; A58-L61 VanDerWaalsContact O-N 3.17Å; A58-I62 VanDerWaalsContact O-CG1 3.28Å; A58-I62 WeakPolarHBondContact O-CG1 3.23Å; A58-I62 PolarHBondContact O-N 2.85Å
59	E	82.9	Confident	77.6	Confident	132 Å²	132	79.7 Å²	79.7	62%	0.617	41%	0.41	S	S	*	.	H	α-helix	trans	-57.8	-44	173.5	-76.2	178.4	173.5	0	0	111.2	L55 L61 I62 H63	L55-E59 WeakPolarHBondContact O-CB 3.3Å; L55-E59 WeakPolarHBondContact O-CG 3.49Å; L55-E59 PolarHBondContact O-N 3.46Å; E59-L61 PolarHBondContact O-N 3.28Å; E59-I62 PolarHBondContact O-N 3.31Å; E59-H63 VanDerWaalsContact O-CB 3.23Å; E59-H63 WeakPolarHBondContact O-CB 3.5Å; E59-H63 PolarHBondContact O-N 2.89Å
60	R	76.2	Confident	75.9	Confident	129 Å²	129	84.9 Å²	84.9	49%	0.487	43%	0.429	S	S	.	.	H	α-helix	trans	-61.8	-41.6	175.8	-174.6	172.3	179.5	135.1	7.2	111.9	Q41 A56 G57 A58 Y64	Q41-R60 PolarHBondContact O-NH1 2.99Å; A56-R60 VanDerWaalsContact O-CB 3.25Å; A56-R60 WeakPolarHBondContact O-CB 3.45Å; A56-R60 PolarHBondContact O-N 3.35Å; G57-R60 PolarHBondContact O-N 3.45Å; A58-R60 VanDerWaalsContact C-N 3.3Å; A58-R60 PolarHBondContact O-N 3.44Å; R60-Y64 VanDerWaalsContact O-CB 3.31Å; R60-Y64 WeakPolarHBondContact O-CB 3.44Å; R60-Y64 PolarHBondContact O-N 2.96Å
61	L	77.8	Confident	74.2	Confident	106 Å²	106	83.3 Å²	83.3	56%	0.555	42%	0.42	S	S	*	.	H	α-helix	trans	-67.5	-42.8	177.2	-175	66.6	0	0	0	112.2	G57 A58 E59 H63 Y64 N65	G57-L61 PolarHBondContact O-N 2.88Å; A58-L61 PolarHBondContact O-N 3.43Å; A58-L61 VanDerWaalsContact O-N 3.17Å; E59-L61 PolarHBondContact O-N 3.28Å; L61-H63 VanDerWaalsContact C-N 3.35Å; L61-Y64 WeakPolarHBondContact O-CB 3.15Å; L61-Y64 PolarHBondContact O-N 3.41Å; L61-N65 PolarHBondContact O-N 2.85Å
62	I	76.7	Confident	72.4	Confident	98 Å²	98	84 Å²	84	50%	0.503	42%	0.42	S	S	.	.	H	α-helix	trans	-61.5	-46.5	175.2	-69.3	164.6	0	0	0	109.9	A58 E59 Y64 N65 N66	A58-I62 VanDerWaalsContact O-CG1 3.28Å; A58-I62 WeakPolarHBondContact O-CG1 3.23Å; A58-I62 PolarHBondContact O-N 2.85Å; E59-I62 PolarHBondContact O-N 3.31Å; I62-Y64 VanDerWaalsContact C-N 3.32Å; I62-Y64 PolarHBondContact O-N 3.4Å; I62-N65 PolarHBondContact O-N 3.39Å; I62-N66 WeakPolarHBondContact O-CB 3.41Å; I62-N66 PolarHBondContact O-N 3.49Å; I62-N66 PolarHBondContact O-ND2 3.16Å
63	H	69.4	Low	70.8	Confident	104 Å²	104	86.2 Å²	86.2	48%	0.481	42%	0.424	S	S	.	.	H	α-helix	trans	-63.4	-37.9	177.2	176.8	-94.4	0	0	0	112.1	E59 L61 K67	E59-H63 VanDerWaalsContact O-CB 3.23Å; E59-H63 WeakPolarHBondContact O-CB 3.5Å; E59-H63 PolarHBondContact O-N 2.89Å; L61-H63 VanDerWaalsContact C-N 3.35Å; H63-K67 VanDerWaalsContact CE1-CD 3.49Å; H63-K67 WeakPolarHBondContact CE1-CD 3.45Å; H63-K67 WeakPolarHBondContact CE1-CE 3.44Å; H63-K67 PolarHBondContact CE1-NZ 3.47Å; H63-K67 VanDerWaalsContact NE2-CE 3.3Å; H63-K67 WeakPolarHBondContact NE2-CE 3.39Å; H63-K67 WeakPolarHBondContact O-CB 3.41Å; H63-K67 WeakPolarHBondContact O-CG 3.31Å; H63-K67 PolarHBondContact O-N 2.64Å
64	Y	66.1	Low	69.7	Low	79 Å²	79	94.2 Å²	94.2	31%	0.31	47%	0.465	S	S	.	.	H	α-helix	trans	-63.4	-47.7	173.7	-174.2	-100.4	0	0	0	111.8	R60 L61 I62 N66 K67 L68	R60-Y64 VanDerWaalsContact O-CB 3.31Å; R60-Y64 WeakPolarHBondContact O-CB 3.44Å; R60-Y64 PolarHBondContact O-N 2.96Å; L61-Y64 WeakPolarHBondContact O-CB 3.15Å; L61-Y64 PolarHBondContact O-N 3.41Å; I62-Y64 VanDerWaalsContact C-N 3.32Å; I62-Y64 PolarHBondContact O-N 3.4Å; Y64-N66 PolarHBondContact O-N 3.32Å; Y64-K67 PolarHBondContact O-N 3.28Å; Y64-L68 HydrophobicContact CD1-CD1 3.79Å; Y64-L68 HydrophobicContact CD2-CD1 4.45Å; Y64-L68 HydrophobicContact CE1-CD1 3.22Å; Y64-L68 HydrophobicContact CE1-CG 4.34Å; Y64-L68 HydrophobicContact CE2-CD1 3.96Å; Y64-L68 HydrophobicContact CG-CD1 4.38Å; Y64-L68 PolarHBondContact O-N 2.93Å
65	N	65.1	Low	68.6	Low	93 Å²	93	91.2 Å²	91.2	50%	0.497	45%	0.453	S	S	.	.	H	α-helix	trans	-61.7	-41.7	175.5	-84.4	-17.7	0	0	0	112.7	L61 I62 K67 L68 G69	L61-N65 PolarHBondContact O-N 2.85Å; I62-N65 PolarHBondContact O-N 3.39Å; N65-K67 VanDerWaalsContact C-N 3.3Å; N65-K67 PolarHBondContact O-N 3.36Å; N65-L68 PolarHBondContact O-N 2.94Å; N65-G69 PolarHBondContact O-N 3.49Å
66	N	63.9	Low	67.8	Low	127 Å²	127	90.4 Å²	90.4	68%	0.679	45%	0.449	S	S	*	.	H	α-helix	trans	-66.6	-32.8	177.7	-71.4	-16.2	0	0	0	112.1	I62 Y64	I62-N66 WeakPolarHBondContact O-CB 3.41Å; I62-N66 PolarHBondContact O-N 3.49Å; I62-N66 PolarHBondContact O-ND2 3.16Å; Y64-N66 PolarHBondContact O-N 3.32Å
67	K	57.9	Low	67.1	Low	99 Å²	99	91.6 Å²	91.6	43%	0.43	45%	0.453	S	S	.	.	H	α-helix	trans	-74.7	-37.8	177.6	-83.7	-169.1	167.1	-173	0	113.4	H63 Y64 N65 G69 S539	H63-K67 VanDerWaalsContact CE1-CD 3.49Å; H63-K67 WeakPolarHBondContact CE1-CD 3.45Å; H63-K67 WeakPolarHBondContact CE1-CE 3.44Å; H63-K67 PolarHBondContact CE1-NZ 3.47Å; H63-K67 VanDerWaalsContact NE2-CE 3.3Å; H63-K67 WeakPolarHBondContact NE2-CE 3.39Å; H63-K67 WeakPolarHBondContact O-CB 3.41Å; H63-K67 WeakPolarHBondContact O-CG 3.31Å; H63-K67 PolarHBondContact O-N 2.64Å; Y64-K67 PolarHBondContact O-N 3.28Å; N65-K67 VanDerWaalsContact C-N 3.3Å; N65-K67 PolarHBondContact O-N 3.36Å; K67-G69 VanDerWaalsContact C-N 3.32Å; K67-S539 PolarHBondContact O-OG 2.84Å
68	L	55.8	Low	66.4	Low	39 Å²	39	96.1 Å²	96.1	20%	0.204	47%	0.47	C	S	.	.	H	α-helix	trans	-81.1	-11.9	-176.7	-71.6	-176.4	0	0	0	114.1	Y64 N65 R71	Y64-L68 HydrophobicContact CD1-CD1 3.79Å; Y64-L68 HydrophobicContact CD2-CD1 4.45Å; Y64-L68 HydrophobicContact CE1-CD1 3.22Å; Y64-L68 HydrophobicContact CE1-CG 4.34Å; Y64-L68 HydrophobicContact CE2-CD1 3.96Å; Y64-L68 HydrophobicContact CG-CD1 4.38Å; Y64-L68 PolarHBondContact O-N 2.93Å; N65-L68 PolarHBondContact O-N 2.94Å; L68-R71 HydrophobicContact CB-CG 4.43Å; L68-R71 VanDerWaalsContact CD2-NH2 3.33Å
69	G	54.4	Low	66	Low	40 Å²	40	97.3 Å²	97.3	41%	0.412	47%	0.468	S	S	.	.			trans	69.1	176.3	-166.5	0	0	0	0	0	111.1	N65 K67 R71	N65-G69 PolarHBondContact O-N 3.49Å; K67-G69 VanDerWaalsContact C-N 3.32Å; G69-R71 VanDerWaalsContact C-N 3.3Å; G69-R71 PolarHBondContact O-N 3.33Å
70	K	54.1	Low	65.6	Low	186 Å²	186	92.1 Å²	92.1	81%	0.809	44%	0.443	S	S	*	.			trans	-69.4	87.4	175.2	-67.9	-179	179.4	-179.7	0	109.1	E72	K70-E72 PolarHBondContact O-N 3.34Å
71	R	53.2	Low	65.7	Low	75 Å²	75	86.7 Å²	86.7	28%	0.283	43%	0.425	S	S	.	.			trans	-67.4	111.9	167	-71.8	-174.4	175.5	177.1	-4.4	107.9	L68 G69 Y73 D77	L68-R71 HydrophobicContact CB-CG 4.43Å; L68-R71 VanDerWaalsContact CD2-NH2 3.33Å; G69-R71 VanDerWaalsContact C-N 3.3Å; G69-R71 PolarHBondContact O-N 3.33Å; R71-Y73 VanDerWaalsContact C-N 3.27Å; R71-D77 IonicContact NH1-OD1 3.06Å; R71-D77 PolarHBondContact NH1-OD1 3.17Å
72	E	52.7	Low	65.7	Low	130 Å²	130	85.7 Å²	85.7	61%	0.607	41%	0.414	S	S	*	.			trans	-75.9	-17.3	176.6	-81	166.3	-167.9	0	0	112.5	K70 K557	K70-E72 PolarHBondContact O-N 3.34Å; E72-K557 IonicContact OE1-NZ 3.93Å; E72-K557 PolarHBondContact OE1-NZ 3.24Å; E72-K557 VanDerWaalsContact OE2-CE 3.31Å; E72-K557 WeakPolarHBondContact OE2-CE 3.49Å; E72-K557 IonicContact OE2-NZ 2.84Å; E72-K557 PolarHBondContact OE2-NZ 3.35Å
73	Y	56.6	Low	65.9	Low	85 Å²	85	82.7 Å²	82.7	33%	0.333	40%	0.398	S	S	.	.	S	Bend	trans	-108.1	138.6	-178.4	-55.1	-79.8	0	0	0	112.2	R71 I75 I560	R71-Y73 VanDerWaalsContact C-N 3.27Å; Y73-I75 PolarHBondContact O-N 3.46Å; Y73-I560 HydrophobicContact CD1-CG2 4.34Å; Y73-I560 HydrophobicContact CD2-CD1 3.92Å; Y73-I560 HydrophobicContact CD2-CG2 4.16Å; Y73-I560 HydrophobicContact CE1-CG2 3.97Å; Y73-I560 HydrophobicContact CE2-CB 4.28Å; Y73-I560 HydrophobicContact CE2-CD1 4.11Å; Y73-I560 HydrophobicContact CE2-CG2 3.78Å; Y73-I560 HydrophobicContact CG-CG2 4.43Å
74	I	64.5	Low	66.4	Low	182 Å²	182	78 Å²	78	93%	0.933	38%	0.377	S	S	*	.			trans	-80.5	70.9	166.4	-51.6	174.6	0	0	0	107.3
75	I	68.1	Low	67.3	Low	39 Å²	39	74.6 Å²	74.6	20%	0.2	36%	0.364	C	S	.	.			trans	-95.9	138.2	169.7	54.1	-179.3	0	0	0	108.9	Y73 E79 Y80	Y73-I75 PolarHBondContact O-N 3.46Å; I75-E79 HydrophobicContact CB-CB 4.42Å; I75-Y80 HydrophobicContact CD1-CD2 3.54Å; I75-Y80 HydrophobicContact CD1-CG 4.17Å
76	N	71.9	Confident	68.1	Low	77 Å²	77	74.4 Å²	74.4	41%	0.412	36%	0.363	S	S	.	.			trans	-76.7	161.8	171.2	63.9	52.2	0	0	0	110.5	E78 E79 Y80	N76-E78 PolarHBondContact O-N 2.9Å; N76-E78 WeakPolarHBondContact OD1-CB 3.28Å; N76-E78 PolarHBondContact OD1-N 3.43Å; N76-E79 VanDerWaalsContact CG-CD 3.44Å; N76-E79 VanDerWaalsContact CG-OE2 3.3Å; N76-E79 PolarHBondContact N-OE2 3.48Å; N76-E79 PolarHBondContact ND2-OE1 3.3Å; N76-E79 PolarHBondContact ND2-OE2 3.48Å; N76-E79 PolarHBondContact O-N 3.44Å; N76-E79 WeakPolarHBondContact OD1-CB 3.21Å; N76-E79 VanDerWaalsContact OD1-CG 3.29Å; N76-E79 WeakPolarHBondContact OD1-CG 3.49Å; N76-E79 PolarHBondContact OD1-N 3.04Å; N76-Y80 PolarHBondContact O-N 3.1Å
77	D	69.7	Low	68.9	Low	43 Å²	43	70 Å²	70	23%	0.23	34%	0.341	C	S	.	.	H	α-helix	trans	-63.7	-25	-175.7	-68.4	-33.4	0	0	0	112.9	R71 S81 L534	R71-D77 IonicContact NH1-OD1 3.06Å; R71-D77 PolarHBondContact NH1-OD1 3.17Å; D77-S81 WeakPolarHBondContact O-CB 3.31Å; D77-S81 PolarHBondContact O-N 2.87Å; D77-S81 PolarHBondContact O-OG 3.11Å; D77-L534 HydrophobicContact CB-CB 3.78Å; D77-L534 HydrophobicContact CB-CD1 3.99Å
78	E	71.8	Confident	69.9	Low	108 Å²	108	66.7 Å²	66.7	51%	0.505	33%	0.327	S	S	.	.	H	α-helix	trans	-72.7	-45.3	177.4	-156.4	-171.7	147.1	0	0	111.2	N76 S81 R82	N76-E78 PolarHBondContact O-N 2.9Å; N76-E78 WeakPolarHBondContact OD1-CB 3.28Å; N76-E78 PolarHBondContact OD1-N 3.43Å; E78-S81 PolarHBondContact O-N 3.25Å; E78-R82 VanDerWaalsContact CG-NH2 3.29Å; E78-R82 WeakPolarHBondContact O-CG 3.49Å; E78-R82 PolarHBondContact O-N 3.28Å; E78-R82 IonicContact OE1-CZ 3.32Å; E78-R82 IonicContact OE1-NE 2.86Å; E78-R82 IonicContact OE1-NH2 2.99Å; E78-R82 PolarHBondContact OE1-NH2 3.13Å; E78-R82 IonicContact OE2-NH2 2.87Å
79	E	77.2	Confident	71.3	Confident	72 Å²	72	68.1 Å²	68.1	34%	0.336	34%	0.335	S	S	.	.	H	α-helix	trans	-59.8	-46.7	172.4	-75.3	160	-179.8	0	0	111.2	I75 N76 S81 R82 I83	I75-E79 HydrophobicContact CB-CB 4.42Å; N76-E79 VanDerWaalsContact CG-CD 3.44Å; N76-E79 VanDerWaalsContact CG-OE2 3.3Å; N76-E79 PolarHBondContact N-OE2 3.48Å; N76-E79 PolarHBondContact ND2-OE1 3.3Å; N76-E79 PolarHBondContact ND2-OE2 3.48Å; N76-E79 PolarHBondContact O-N 3.44Å; N76-E79 WeakPolarHBondContact OD1-CB 3.21Å; N76-E79 VanDerWaalsContact OD1-CG 3.29Å; N76-E79 WeakPolarHBondContact OD1-CG 3.49Å; N76-E79 PolarHBondContact OD1-N 3.04Å; E79-S81 VanDerWaalsContact C-N 3.33Å; E79-S81 PolarHBondContact O-N 3.22Å; E79-R82 PolarHBondContact O-N 3Å; E79-I83 VanDerWaalsContact O-CG1 3.25Å; E79-I83 WeakPolarHBondContact O-CG1 3.36Å; E79-I83 PolarHBondContact O-N 3.43Å
80	Y	74.8	Confident	73	Confident	23 Å²	23	66.2 Å²	66.2	9%	0.09	32%	0.316	C	S	.	.	H	α-helix	trans	-60.5	-44	177.3	-176.8	-104.6	0	0	0	111.9	I75 N76 R82 I83 V84 F538 I556	I75-Y80 HydrophobicContact CD1-CD2 3.54Å; I75-Y80 HydrophobicContact CD1-CG 4.17Å; N76-Y80 PolarHBondContact O-N 3.1Å; Y80-R82 VanDerWaalsContact C-N 3.34Å; Y80-R82 PolarHBondContact O-N 3.25Å; Y80-I83 PolarHBondContact O-N 3.4Å; Y80-V84 HydrophobicContact CD1-CG2 4.28Å; Y80-V84 HydrophobicContact CE1-CG2 3.88Å; Y80-V84 HydrophobicContact CE2-CG2 4.31Å; Y80-V84 WeakPolarHBondContact O-CG2 3.46Å; Y80-V84 PolarHBondContact O-N 3.31Å; Y80-F538 HydrophobicContact CD1-CD2 4.47Å; Y80-F538 HydrophobicContact CD1-CE2 4.07Å; Y80-F538 AromaticContact CE1-CD2 3.54Å; Y80-F538 HydrophobicContact CE1-CD2 3.54Å; Y80-F538 AromaticContact CE1-CE2 3.45Å; Y80-F538 HydrophobicContact CE1-CE2 3.45Å; Y80-F538 VanDerWaalsContact CE1-CE2 3.45Å; Y80-F538 HydrophobicContact CE1-CG 4.48Å; Y80-F538 HydrophobicContact CE1-CZ 4.37Å; Y80-I556 HydrophobicContact CE2-CD1 4.1Å; Y80-I556 HydrophobicContact CE2-CG2 4.46Å; Y80-I556 WeakPolarHBondContact OH-CD1 3.46Å
81	S	77.5	Confident	74.8	Confident	15 Å²	15	57.4 Å²	57.4	11%	0.105	28%	0.277	C	S	.	.	H	α-helix	trans	-61.7	-43	177.4	-59.1	0	0	0	0	111.6	D77 E78 E79 V84 I85	D77-S81 WeakPolarHBondContact O-CB 3.31Å; D77-S81 PolarHBondContact O-N 2.87Å; D77-S81 PolarHBondContact O-OG 3.11Å; E78-S81 PolarHBondContact O-N 3.25Å; E79-S81 VanDerWaalsContact C-N 3.33Å; E79-S81 PolarHBondContact O-N 3.22Å; S81-V84 PolarHBondContact O-N 3.34Å; S81-I85 WeakPolarHBondContact O-CB 3.41Å; S81-I85 VanDerWaalsContact O-CG1 3.24Å; S81-I85 WeakPolarHBondContact O-CG1 3.32Å; S81-I85 PolarHBondContact O-N 2.87Å
82	R	78.8	Confident	76.6	Confident	86 Å²	86	54 Å²	54	33%	0.325	27%	0.266	S	S	.	.	H	α-helix	trans	-62.8	-44	175.6	-74.5	-172.8	-119.8	111.1	-9.2	112.5	E78 E79 Y80 I85 N86 E106	E78-R82 VanDerWaalsContact CG-NH2 3.29Å; E78-R82 WeakPolarHBondContact O-CG 3.49Å; E78-R82 PolarHBondContact O-N 3.28Å; E78-R82 IonicContact OE1-CZ 3.32Å; E78-R82 IonicContact OE1-NE 2.86Å; E78-R82 IonicContact OE1-NH2 2.99Å; E78-R82 PolarHBondContact OE1-NH2 3.13Å; E78-R82 IonicContact OE2-NH2 2.87Å; E79-R82 PolarHBondContact O-N 3Å; Y80-R82 VanDerWaalsContact C-N 3.34Å; Y80-R82 PolarHBondContact O-N 3.25Å; R82-I85 PolarHBondContact O-N 3.42Å; R82-N86 WeakPolarHBondContact O-CB 3.41Å; R82-N86 VanDerWaalsContact O-CG 3.24Å; R82-N86 PolarHBondContact O-N 2.88Å; R82-N86 PolarHBondContact O-ND2 2.78Å; R82-E106 VanDerWaalsContact CG-OE1 3.24Å; R82-E106 WeakPolarHBondContact CG-OE1 3.41Å
83	I	79.8	Confident	78.5	Confident	35 Å²	35	47.9 Å²	47.9	18%	0.179	24%	0.237	C	C	.	.	H	α-helix	trans	-60.2	-46.9	176.3	-68.8	163.3	0	0	0	110.1	E79 Y80 N86 T87	E79-I83 VanDerWaalsContact O-CG1 3.25Å; E79-I83 WeakPolarHBondContact O-CG1 3.36Å; E79-I83 PolarHBondContact O-N 3.43Å; Y80-I83 PolarHBondContact O-N 3.4Å; I83-N86 PolarHBondContact O-N 3.13Å; I83-T87 VanDerWaalsContact O-CB 3.25Å; I83-T87 WeakPolarHBondContact O-CB 3.48Å; I83-T87 PolarHBondContact O-N 2.79Å; I83-T87 PolarHBondContact O-OG1 3.01Å
84	V	80.6	Confident	80.2	Confident	5 Å²	5	45.2 Å²	45.2	3%	0.03	23%	0.228	C	C	.	.	H	α-helix	trans	-59.1	-50.2	176.6	166.7	0	0	0	0	111.2	Y80 S81 N86 T87 I88 F538 F551	Y80-V84 HydrophobicContact CD1-CG2 4.28Å; Y80-V84 HydrophobicContact CE1-CG2 3.88Å; Y80-V84 HydrophobicContact CE2-CG2 4.31Å; Y80-V84 WeakPolarHBondContact O-CG2 3.46Å; Y80-V84 PolarHBondContact O-N 3.31Å; S81-V84 PolarHBondContact O-N 3.34Å; V84-N86 VanDerWaalsContact C-N 3.31Å; V84-N86 PolarHBondContact O-N 3.4Å; V84-T87 PolarHBondContact O-N 2.86Å; V84-I88 WeakPolarHBondContact O-CG1 3.16Å; V84-I88 PolarHBondContact O-N 3.43Å; V84-F538 HydrophobicContact CB-CZ 4.41Å; V84-F538 HydrophobicContact CG1-CE1 4.01Å; V84-F538 HydrophobicContact CG1-CZ 3.93Å; V84-F538 HydrophobicContact CG2-CZ 4.17Å; V84-F551 HydrophobicContact CG1-CE1 3.77Å
85	I	85.5	Confident	81.6	Confident	8 Å²	8	36.5 Å²	36.5	4%	0.041	18%	0.183	C	C	.	.	H	α-helix	trans	-58.6	-43.7	179.9	-75	168.4	0	0	0	111.1	S81 R82 N89 G90 E106 N107 V213	S81-I85 WeakPolarHBondContact O-CB 3.41Å; S81-I85 VanDerWaalsContact O-CG1 3.24Å; S81-I85 WeakPolarHBondContact O-CG1 3.32Å; S81-I85 PolarHBondContact O-N 2.87Å; R82-I85 PolarHBondContact O-N 3.42Å; I85-N89 PolarHBondContact O-N 3.49Å; I85-G90 VanDerWaalsContact CG2-O 3.26Å; I85-G90 WeakPolarHBondContact CG2-O 3.46Å; I85-G90 PolarHBondContact O-N 2.85Å; I85-E106 HydrophobicContact CD1-CG 4.28Å; I85-E106 WeakPolarHBondContact CD1-OE2 3.24Å; I85-N107 HydrophobicContact CG2-CB 3.87Å; I85-V213 HydrophobicContact CG1-CG1 3.94Å
86	N	82.4	Confident	82.8	Confident	88 Å²	88	36.3 Å²	36.3	47%	0.471	18%	0.181	S	C	.	.	H	α-helix	trans	-67.6	-43.7	178.5	-74.1	-23.2	0	0	0	111.9	R82 I83 V84 I88 N89	R82-N86 WeakPolarHBondContact O-CB 3.41Å; R82-N86 VanDerWaalsContact O-CG 3.24Å; R82-N86 PolarHBondContact O-N 2.88Å; R82-N86 PolarHBondContact O-ND2 2.78Å; I83-N86 PolarHBondContact O-N 3.13Å; V84-N86 VanDerWaalsContact C-N 3.31Å; V84-N86 PolarHBondContact O-N 3.4Å; N86-I88 PolarHBondContact O-N 2.65Å; N86-N89 PolarHBondContact O-N 3.1Å
87	T	79.3	Confident	83.9	Confident	35 Å²	35	33.1 Å²	33.1	22%	0.215	17%	0.165	C	C	.	.	H	α-helix	trans	-59.7	-46.2	179.6	-63.8	0	0	0	0	111.7	I83 V84 N89 Y555 L559	I83-T87 VanDerWaalsContact O-CB 3.25Å; I83-T87 WeakPolarHBondContact O-CB 3.48Å; I83-T87 PolarHBondContact O-N 2.79Å; I83-T87 PolarHBondContact O-OG1 3.01Å; V84-T87 PolarHBondContact O-N 2.86Å; T87-N89 PolarHBondContact O-N 3.19Å; T87-Y555 HydrophobicContact CG2-CD1 4.45Å; T87-Y555 HydrophobicContact CG2-CE1 3.74Å; T87-L559 HydrophobicContact CG2-CD1 3.36Å; T87-L559 HydrophobicContact CG2-CD2 4.47Å
88	I	79.6	Confident	84.8	Confident	29 Å²	29	35.5 Å²	35.5	15%	0.149	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	1.3	179.3	75.6	169.9	0	0	0	112.9	V84 N86 G90 V213 R215 F551	V84-I88 WeakPolarHBondContact O-CG1 3.16Å; V84-I88 PolarHBondContact O-N 3.43Å; N86-I88 PolarHBondContact O-N 2.65Å; I88-G90 VanDerWaalsContact C-N 3.25Å; I88-G90 PolarHBondContact O-N 3.05Å; I88-V213 HydrophobicContact CD1-CB 4.05Å; I88-V213 HydrophobicContact CD1-CG1 3.34Å; I88-V213 HydrophobicContact CG1-CG1 4.28Å; I88-R215 HydrophobicContact CD1-CB 4.21Å; I88-F551 HydrophobicContact CG2-CE1 4.49Å; I88-F551 HydrophobicContact CG2-CZ 4.2Å
89	N	85.9	Confident	85.7	Confident	70 Å²	70	32.5 Å²	32.5	37%	0.374	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.3	52	-171.9	-161.3	50.8	0	0	0	111.6	I85 N86 T87 K110 I111 P216	I85-N89 PolarHBondContact O-N 3.49Å; N86-N89 PolarHBondContact O-N 3.1Å; T87-N89 PolarHBondContact O-N 3.19Å; N89-K110 PolarHBondContact OD1-NZ 3.15Å; N89-I111 WeakPolarHBondContact O-CD1 3.4Å; N89-P216 VanDerWaalsContact O-CD 3.24Å; N89-P216 WeakPolarHBondContact O-CD 3.5Å
90	G	89.7	Confident	86.5	Confident	0 Å²	0	29 Å²	29	0%	0	16%	0.159	C	C	.	.			trans	-119.9	-161.5	-174.2	0	0	0	0	0	113.1	I85 I88 N107 I111 C214	I85-G90 VanDerWaalsContact CG2-O 3.26Å; I85-G90 WeakPolarHBondContact CG2-O 3.46Å; I85-G90 PolarHBondContact O-N 2.85Å; I88-G90 VanDerWaalsContact C-N 3.25Å; I88-G90 PolarHBondContact O-N 3.05Å; G90-N107 PolarHBondContact O-ND2 3.19Å; G90-I111 WeakPolarHBondContact O-CG1 3.47Å; G90-C214 CarbonylContact C-O 3.56Å; G90-C214 WeakPolarHBondContact CA-O 2.97Å
91	F	91.6	Very high	87.4	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	147.4	176.9	69.5	-93.3	0	0	0	110.5	I93 E106 N107 I111 L112 M166 I189 C214	F91-I93 HydrophobicContact CD2-CB 4.46Å; F91-I93 HydrophobicContact CE2-CB 4.26Å; F91-I93 HydrophobicContact CE2-CD1 4.34Å; F91-E106 CarbonylContact C-O 3.57Å; F91-E106 WeakPolarHBondContact CA-O 3.18Å; F91-E106 WeakPolarHBondContact CB-O 3.02Å; F91-N107 HydrophobicContact CB-CB 4.37Å; F91-I111 HydrophobicContact CB-CG1 4.46Å; F91-I111 HydrophobicContact CD1-CB 4.03Å; F91-I111 HydrophobicContact CD1-CG1 4.26Å; F91-I111 HydrophobicContact CD1-CG2 3.97Å; F91-I111 HydrophobicContact CE1-CG2 4.3Å; F91-L112 HydrophobicContact CE1-CD1 3.95Å; F91-L112 HydrophobicContact CE1-CG 4.33Å; F91-L112 HydrophobicContact CZ-CD1 3.96Å; F91-M166 HydrophobicContact CZ-CE 4.5Å; F91-M166 HydrophobicContact CZ-SD 3.9Å; F91-I189 HydrophobicContact CE1-CD1 4.46Å; F91-I189 HydrophobicContact CE1-CG2 3.84Å; F91-I189 HydrophobicContact CZ-CG2 4.01Å; F91-C214 HydrophobicContact CD1-CB 3.66Å; F91-C214 HydrophobicContact CD2-CB 3.8Å; F91-C214 HydrophobicContact CE1-CB 3.33Å; F91-C214 HydrophobicContact CE2-CB 3.47Å; F91-C214 VanDerWaalsContact CE2-CB 3.47Å; F91-C214 HydrophobicContact CG-CB 3.89Å; F91-C214 HydrophobicContact CZ-CB 3.23Å; F91-C214 PolarHBondContact N-O 3.47Å; F91-C214 PolarHBondContact O-N 3.49Å
92	G	91.2	Very high	88.2	Confident	5 Å²	5	30.5 Å²	30.5	5%	0.052	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	146.6	174.9	0	0	0	0	0	111.2	E105 E106	G92-E105 WeakPolarHBondContact O-CA 3.37Å; G92-E106 PolarHBondContact N-O 3.3Å; G92-E106 PolarHBondContact O-N 3.35Å
93	I	92.5	Very high	88.8	Confident	1 Å²	1	29.1 Å²	29.1	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	142.4	175.2	-159.4	175.4	0	0	0	112.3	F91 V95 I102 Y104 F191 F210 G212 C214	F91-I93 HydrophobicContact CD2-CB 4.46Å; F91-I93 HydrophobicContact CE2-CB 4.26Å; F91-I93 HydrophobicContact CE2-CD1 4.34Å; I93-V95 HydrophobicContact CD1-CG2 3.82Å; I93-V95 HydrophobicContact CG1-CG2 3.93Å; I93-V95 HydrophobicContact CG2-CG2 4.39Å; I93-I102 HydrophobicContact CD1-CD1 4.14Å; I93-I102 HydrophobicContact CD1-CG1 4.06Å; I93-I102 HydrophobicContact CD1-CG2 4.02Å; I93-I102 HydrophobicContact CG1-CG2 3.88Å; I93-Y104 WeakPolarHBondContact CA-O 3.28Å; I93-Y104 WeakPolarHBondContact CG1-O 3.48Å; I93-F191 HydrophobicContact CD1-CE1 4.39Å; I93-F191 HydrophobicContact CG2-CD1 4.23Å; I93-F191 HydrophobicContact CG2-CE1 3.99Å; I93-F210 HydrophobicContact CG2-CE1 4.12Å; I93-G212 PolarHBondContact N-O 2.83Å; I93-G212 PolarHBondContact O-N 3.14Å; I93-G212 VanDerWaalsContact O-N 3.09Å; I93-C214 WeakPolarHBondContact CG2-SG 3.41Å
94	H	92.6	Very high	89.3	Confident	28 Å²	28	31.7 Å²	31.7	13%	0.13	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	129.2	165.2	-55.7	160.9	0	0	0	111.2	I102 L103 Y104 L209 F210	H94-I102 WeakPolarHBondContact O-CA 3.47Å; H94-L103 PolarHBondContact O-N 3.25Å; H94-Y104 AromaticContact CE1-CD1 3.9Å; H94-Y104 AromaticContact CG-CD1 3.97Å; H94-Y104 PolarHBondContact N-O 2.89Å; H94-Y104 WeakPolarHBondContact ND1-CB 3.48Å; H94-Y104 AromaticContact ND1-CD1 3.84Å; H94-Y104 AromaticContact ND1-CG 3.82Å; H94-L209 HydrophobicContact CB-CD1 3.84Å; H94-L209 HydrophobicContact CB-CD2 4.27Å; H94-L209 HydrophobicContact CB-CG 4.22Å; H94-F210 CarbonylContact C-O 3.52Å; H94-F210 VanDerWaalsContact CA-O 3.28Å; H94-F210 WeakPolarHBondContact CA-O 3.36Å
95	V	94.2	Very high	89.8	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	124.2	-175.2	-175.6	0	0	0	0	110.6	I93 C97 G100 E101 I102 I124 L142 F210	I93-V95 HydrophobicContact CD1-CG2 3.82Å; I93-V95 HydrophobicContact CG1-CG2 3.93Å; I93-V95 HydrophobicContact CG2-CG2 4.39Å; V95-C97 PolarHBondContact O-N 3.48Å; V95-G100 WeakPolarHBondContact CG1-O 3.39Å; V95-E101 CarbonylContact C-O 3.57Å; V95-E101 WeakPolarHBondContact CA-O 3.25Å; V95-I102 HydrophobicContact CG2-CG1 4.31Å; V95-I124 HydrophobicContact CG1-CB 4.48Å; V95-I124 HydrophobicContact CG1-CG2 4.38Å; V95-L142 HydrophobicContact CG1-CD1 4.12Å; V95-F210 HydrophobicContact CB-CB 4.38Å; V95-F210 HydrophobicContact CB-CD1 4.41Å; V95-F210 HydrophobicContact CG2-CD1 4.39Å; V95-F210 PolarHBondContact N-O 2.93Å; V95-F210 PolarHBondContact O-N 2.84Å
96	K	93.3	Very high	89.9	Confident	34 Å²	34	33.7 Å²	33.7	15%	0.148	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	113.6	173.7	-172.8	175.9	-177.2	177.2	0	108.9	S98 S99 G100 E101 L103 E205 Y207	K96-S98 WeakPolarHBondContact CE-OG 3.29Å; K96-S98 PolarHBondContact O-N 3.44Å; K96-S98 VanDerWaalsContact O-N 3.14Å; K96-S99 PolarHBondContact O-N 2.92Å; K96-G100 VanDerWaalsContact O-CA 3.31Å; K96-G100 WeakPolarHBondContact O-CA 3.47Å; K96-G100 PolarHBondContact O-N 3.29Å; K96-E101 HydrophobicContact CB-CB 4.31Å; K96-E101 PolarHBondContact N-O 3.25Å; K96-L103 HydrophobicContact CB-CD1 4.29Å; K96-E205 IonicContact NZ-OE2 3.12Å; K96-Y207 HydrophobicContact CG-CD2 4.17Å; K96-Y207 HydrophobicContact CG-CG 4.44Å
97	C	93.1	Very high	90.2	Very high	11 Å²	11	31.1 Å²	31.1	7%	0.074	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-31.4	-172	-62	0	0	0	0	113.4	V95 L142 F144 Y208 F210	V95-C97 PolarHBondContact O-N 3.48Å; C97-L142 HydrophobicContact CB-CB 4.48Å; C97-F144 HydrophobicContact CB-CE1 4.24Å; C97-Y208 PolarHBondContact N-O 3.01Å; C97-F210 PolarHBondContact SG-N 3.16Å; C97-F210 VanDerWaalsContact SG-N 3.41Å
98	S	89.9	Confident	90.7	Very high	92 Å²	92	29.5 Å²	29.5	64%	0.643	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-34	-176.7	60.6	0	0	0	0	114	K96	K96-S98 WeakPolarHBondContact CE-OG 3.29Å; K96-S98 PolarHBondContact O-N 3.44Å; K96-S98 VanDerWaalsContact O-N 3.14Å
99	S	91.2	Very high	91.2	Very high	45 Å²	45	33 Å²	33	32%	0.315	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.8	-18.4	-175.9	53.5	0	0	0	0	113.2	K96 E101	K96-S99 PolarHBondContact O-N 2.92Å; S99-E101 PolarHBondContact O-N 3.14Å; S99-E101 VanDerWaalsContact OG-CB 3.24Å; S99-E101 WeakPolarHBondContact OG-CB 3.39Å; S99-E101 PolarHBondContact OG-N 3.43Å
100	G	93	Very high	91.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.9	10.2	-166.5	0	0	0	0	0	113.3	V95 K96 T123 I124	V95-G100 WeakPolarHBondContact CG1-O 3.39Å; K96-G100 VanDerWaalsContact O-CA 3.31Å; K96-G100 WeakPolarHBondContact O-CA 3.47Å; K96-G100 PolarHBondContact O-N 3.29Å; G100-T123 CarbonylContact O-C 3.51Å; G100-T123 WeakPolarHBondContact O-CA 3.22Å; G100-I124 PolarHBondContact O-N 3.12Å
101	E	94.6	Very high	91.2	Very high	68 Å²	68	35.6 Å²	35.6	32%	0.318	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	132.2	-179.1	-176.1	-176.9	-177.4	0	0	111.7	V95 K96 S99 L103	V95-E101 CarbonylContact C-O 3.57Å; V95-E101 WeakPolarHBondContact CA-O 3.25Å; K96-E101 HydrophobicContact CB-CB 4.31Å; K96-E101 PolarHBondContact N-O 3.25Å; S99-E101 PolarHBondContact O-N 3.14Å; S99-E101 VanDerWaalsContact OG-CB 3.24Å; S99-E101 WeakPolarHBondContact OG-CB 3.39Å; S99-E101 PolarHBondContact OG-N 3.43Å; E101-L103 HydrophobicContact CG-CD2 3.99Å
102	I	94.3	Very high	91.2	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	113.7	178.7	-59.2	165.9	0	0	0	108.5	I93 H94 V95 E105 F119 G121 K122 L127	I93-I102 HydrophobicContact CD1-CD1 4.14Å; I93-I102 HydrophobicContact CD1-CG1 4.06Å; I93-I102 HydrophobicContact CD1-CG2 4.02Å; I93-I102 HydrophobicContact CG1-CG2 3.88Å; H94-I102 WeakPolarHBondContact O-CA 3.47Å; V95-I102 HydrophobicContact CG2-CG1 4.31Å; I102-E105 HydrophobicContact CG2-CB 4.48Å; I102-F119 HydrophobicContact CD1-CD1 4.22Å; I102-F119 HydrophobicContact CG2-CB 4.38Å; I102-G121 PolarHBondContact O-N 3.43Å; I102-K122 PolarHBondContact N-O 3.12Å; I102-L127 HydrophobicContact CD1-CD1 3.57Å
103	L	91.2	Very high	91.1	Very high	56 Å²	56	36.3 Å²	36.3	29%	0.293	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	-24.4	-177.7	-58.6	-175.8	0	0	0	112.6	H94 K96 E101 Y207 L209	H94-L103 PolarHBondContact O-N 3.25Å; K96-L103 HydrophobicContact CB-CD1 4.29Å; E101-L103 HydrophobicContact CG-CD2 3.99Å; L103-Y207 HydrophobicContact CD1-CE2 4Å; L103-L209 HydrophobicContact CD1-CD1 3.84Å
104	Y	90.5	Very high	90.9	Very high	89 Å²	89	37.1 Å²	37.1	35%	0.349	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	144.1	-178.2	175.5	-100.2	0	0	0	109.6	I93 H94 E106	I93-Y104 WeakPolarHBondContact CA-O 3.28Å; I93-Y104 WeakPolarHBondContact CG1-O 3.48Å; H94-Y104 AromaticContact CE1-CD1 3.9Å; H94-Y104 AromaticContact CG-CD1 3.97Å; H94-Y104 PolarHBondContact N-O 2.89Å; H94-Y104 WeakPolarHBondContact ND1-CB 3.48Å; H94-Y104 AromaticContact ND1-CD1 3.84Å; H94-Y104 AromaticContact ND1-CG 3.82Å; Y104-E106 HydrophobicContact CE1-CB 3.99Å; Y104-E106 WeakPolarHBondContact OH-CB 3.37Å; Y104-E106 PolarHBondContact OH-OE2 3.45Å; Y104-E106 VanDerWaalsContact OH-OE2 3.06Å
105	E	90.5	Very high	90.7	Very high	17 Å²	17	38.8 Å²	38.8	8%	0.079	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	143.3	173.8	171.3	-84.8	142	0	0	108.9	G92 I102 N107 S108 Q116 F119	G92-E105 WeakPolarHBondContact O-CA 3.37Å; I102-E105 HydrophobicContact CG2-CB 4.48Å; E105-N107 PolarHBondContact OE1-N 3.18Å; E105-S108 WeakPolarHBondContact CG-OG 3.35Å; E105-S108 WeakPolarHBondContact OE1-CA 3.37Å; E105-S108 WeakPolarHBondContact OE1-CB 3.39Å; E105-S108 PolarHBondContact OE1-N 3.1Å; E105-S108 PolarHBondContact OE1-OG 3.18Å; E105-S108 PolarHBondContact OE2-OG 3.18Å; E105-Q116 WeakPolarHBondContact OE2-CB 3.33Å; E105-Q116 WeakPolarHBondContact OE2-CG 3.41Å; E105-F119 HydrophobicContact CB-CB 4.11Å; E105-F119 HydrophobicContact CB-CD1 4.48Å; E105-F119 HydrophobicContact CB-CG 4.39Å; E105-F119 HydrophobicContact CG-CB 4.16Å; E105-F119 HydrophobicContact CG-CD1 3.95Å; E105-F119 HydrophobicContact CG-CD2 4.45Å; E105-F119 HydrophobicContact CG-CG 3.93Å
106	E	88.3	Confident	90.2	Very high	39 Å²	39	43.3 Å²	43.3	18%	0.182	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	127.6	174.4	177.7	175.7	-149.2	0	0	110.7	R82 I85 F91 G92 Y104 S108	R82-E106 VanDerWaalsContact CG-OE1 3.24Å; R82-E106 WeakPolarHBondContact CG-OE1 3.41Å; I85-E106 HydrophobicContact CD1-CG 4.28Å; I85-E106 WeakPolarHBondContact CD1-OE2 3.24Å; F91-E106 CarbonylContact C-O 3.57Å; F91-E106 WeakPolarHBondContact CA-O 3.18Å; F91-E106 WeakPolarHBondContact CB-O 3.02Å; G92-E106 PolarHBondContact N-O 3.3Å; G92-E106 PolarHBondContact O-N 3.35Å; Y104-E106 HydrophobicContact CE1-CB 3.99Å; Y104-E106 WeakPolarHBondContact OH-CB 3.37Å; Y104-E106 PolarHBondContact OH-OE2 3.45Å; Y104-E106 VanDerWaalsContact OH-OE2 3.06Å; E106-S108 PolarHBondContact O-N 3.49Å
107	N	87.4	Confident	89.8	Confident	34 Å²	34	46.7 Å²	46.7	18%	0.182	26%	0.255	C	S	.	.	S	Bend	trans	69.9	14	174.8	-162	39.2	0	0	0	116.7	I85 G90 F91 E105 E109 K110	I85-N107 HydrophobicContact CG2-CB 3.87Å; G90-N107 PolarHBondContact O-ND2 3.19Å; F91-N107 HydrophobicContact CB-CB 4.37Å; E105-N107 PolarHBondContact OE1-N 3.18Å; N107-E109 VanDerWaalsContact C-N 3.31Å; N107-E109 PolarHBondContact O-N 2.92Å; N107-K110 PolarHBondContact O-N 3.1Å; N107-K110 WeakPolarHBondContact OD1-CB 3.37Å
108	S	89.6	Confident	89.4	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-64.4	-31.6	178.5	69.6	0	0	0	0	113.5	E105 E106 K110 I111 L112 F119	E105-S108 WeakPolarHBondContact CG-OG 3.35Å; E105-S108 WeakPolarHBondContact OE1-CA 3.37Å; E105-S108 WeakPolarHBondContact OE1-CB 3.39Å; E105-S108 PolarHBondContact OE1-N 3.1Å; E105-S108 PolarHBondContact OE1-OG 3.18Å; E105-S108 PolarHBondContact OE2-OG 3.18Å; E106-S108 PolarHBondContact O-N 3.49Å; S108-K110 VanDerWaalsContact C-N 3.31Å; S108-K110 PolarHBondContact O-N 3.28Å; S108-I111 PolarHBondContact O-N 3.24Å; S108-L112 WeakPolarHBondContact O-CB 3.35Å; S108-L112 PolarHBondContact O-N 3.19Å; S108-F119 WeakPolarHBondContact OG-CD2 3.18Å; S108-F119 WeakPolarHBondContact OG-CE2 3.33Å; S108-F119 WeakPolarHBondContact OG-CZ 3.48Å
109	E	90	Very high	89.4	Confident	103 Å²	103	43.1 Å²	43.1	48%	0.481	23%	0.23	S	C	.	.	H	α-helix	trans	-62.2	-38.8	-177.2	-177.2	170.5	-175.7	0	0	112.1	N107 I111 G113 I114 Q116	N107-E109 VanDerWaalsContact C-N 3.31Å; N107-E109 PolarHBondContact O-N 2.92Å; E109-I111 VanDerWaalsContact C-N 3.28Å; E109-I111 PolarHBondContact O-N 3.25Å; E109-G113 WeakPolarHBondContact O-CA 3.43Å; E109-G113 PolarHBondContact O-N 3.01Å; E109-I114 VanDerWaalsContact CA-O 3.27Å; E109-I114 WeakPolarHBondContact CA-O 3.33Å; E109-I114 WeakPolarHBondContact CB-O 3.25Å; E109-Q116 HydrophobicContact CB-CG 4.35Å
110	K	86.9	Confident	89.2	Confident	124 Å²	124	45.9 Å²	45.9	54%	0.539	24%	0.241	S	C	.	.	H	α-helix	trans	-64.4	-34.8	175.6	-170.1	-173.9	-179.6	-165.6	0	111.9	N89 N107 S108	N89-K110 PolarHBondContact OD1-NZ 3.15Å; N107-K110 PolarHBondContact O-N 3.1Å; N107-K110 WeakPolarHBondContact OD1-CB 3.37Å; S108-K110 VanDerWaalsContact C-N 3.31Å; S108-K110 PolarHBondContact O-N 3.28Å
111	I	89.5	Confident	88.6	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-92.2	-39.5	-170.7	-56.7	-46.4	0	0	0	112.7	N89 G90 F91 S108 E109 I172 R187 I189 P216	N89-I111 WeakPolarHBondContact O-CD1 3.4Å; G90-I111 WeakPolarHBondContact O-CG1 3.47Å; F91-I111 HydrophobicContact CB-CG1 4.46Å; F91-I111 HydrophobicContact CD1-CB 4.03Å; F91-I111 HydrophobicContact CD1-CG1 4.26Å; F91-I111 HydrophobicContact CD1-CG2 3.97Å; F91-I111 HydrophobicContact CE1-CG2 4.3Å; S108-I111 PolarHBondContact O-N 3.24Å; E109-I111 VanDerWaalsContact C-N 3.28Å; E109-I111 PolarHBondContact O-N 3.25Å; I111-I172 WeakPolarHBondContact O-CD1 2.98Å; I111-R187 PolarHBondContact O-NH1 2.9Å; I111-I189 HydrophobicContact CG2-CD1 4.35Å; I111-P216 HydrophobicContact CG2-CB 4.1Å; I111-P216 HydrophobicContact CG2-CG 3.87Å
112	L	91.5	Very high	88.6	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-105.1	-15.2	-175.6	-68.7	172.7	0	0	0	112.3	F91 S108 I114 F119 M166 C168 G169 I189	F91-L112 HydrophobicContact CE1-CD1 3.95Å; F91-L112 HydrophobicContact CE1-CG 4.33Å; F91-L112 HydrophobicContact CZ-CD1 3.96Å; S108-L112 WeakPolarHBondContact O-CB 3.35Å; S108-L112 PolarHBondContact O-N 3.19Å; L112-I114 HydrophobicContact CB-CG1 4.46Å; L112-I114 PolarHBondContact O-N 2.99Å; L112-F119 HydrophobicContact CD1-CE1 3.98Å; L112-F119 HydrophobicContact CD1-CZ 3.6Å; L112-M166 HydrophobicContact CD1-CB 4.43Å; L112-M166 HydrophobicContact CD1-CE 4.07Å; L112-M166 HydrophobicContact CD1-SD 4.17Å; L112-M166 HydrophobicContact CD2-CB 4.12Å; L112-C168 CarbonylContact O-C 3.53Å; L112-C168 WeakPolarHBondContact O-CA 3.29Å; L112-C168 WeakPolarHBondContact O-CB 3.04Å; L112-G169 PolarHBondContact O-N 2.73Å; L112-I189 HydrophobicContact CD2-CD1 3.78Å; L112-I189 HydrophobicContact CD2-CG1 3.94Å
113	G	89.9	Confident	88.6	Confident	19 Å²	19	50.9 Å²	50.9	20%	0.196	28%	0.281	C	S	.	.	S	Bend	trans	68.4	22	-177.4	0	0	0	0	0	113.4	E109 G169 S171	E109-G113 WeakPolarHBondContact O-CA 3.43Å; E109-G113 PolarHBondContact O-N 3.01Å; G113-G169 WeakPolarHBondContact O-CA 3.43Å; G113-S171 VanDerWaalsContact CA-OG 3.24Å; G113-S171 WeakPolarHBondContact CA-OG 3.47Å
114	I	88.6	Confident	88.7	Confident	18 Å²	18	48.3 Å²	48.3	9%	0.092	27%	0.267	C	S	.	.	S	Bend	trans	-114.9	134.5	179.3	-61.1	-179.3	0	0	0	108	E109 L112 S118 F119 R167	E109-I114 VanDerWaalsContact CA-O 3.27Å; E109-I114 WeakPolarHBondContact CA-O 3.33Å; E109-I114 WeakPolarHBondContact CB-O 3.25Å; L112-I114 HydrophobicContact CB-CG1 4.46Å; L112-I114 PolarHBondContact O-N 2.99Å; I114-S118 VanDerWaalsContact CG2-CB 3.45Å; I114-F119 HydrophobicContact CB-CE2 4.11Å; I114-F119 HydrophobicContact CG2-CE2 4.03Å; I114-R167 HydrophobicContact CD1-CB 4.01Å; I114-R167 HydrophobicContact CD1-CG 4.06Å; I114-R167 WeakPolarHBondContact CD1-O 3.24Å
115	P	88	Confident	88.9	Confident	64 Å²	64	47 Å²	47	42%	0.416	26%	0.262	S	S	.	.			trans	-58.6	141	178	-23.1	32.8	0	0	0	112.4	S117 S118	P115-S117 PolarHBondContact O-N 3.05Å; P115-S117 VanDerWaalsContact O-N 3.1Å; P115-S118 WeakPolarHBondContact O-CB 3.35Å; P115-S118 PolarHBondContact O-N 3.18Å; P115-S118 PolarHBondContact O-OG 3.07Å
116	Q	83.4	Confident	89	Confident	94 Å²	94	51 Å²	51	44%	0.439	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-52.4	-34.5	178.5	-64.8	-175.3	-17.8	0	0	113.4	E105 E109 S118 F119	E105-Q116 WeakPolarHBondContact OE2-CB 3.33Å; E105-Q116 WeakPolarHBondContact OE2-CG 3.41Å; E109-Q116 HydrophobicContact CB-CG 4.35Å; Q116-S118 PolarHBondContact O-N 3.01Å; Q116-F119 PolarHBondContact O-N 3.18Å
117	S	83.8	Confident	89.2	Confident	106 Å²	106	49.5 Å²	49.5	74%	0.741	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-58.8	-13.2	175.6	60.7	0	0	0	0	114.3	P115	P115-S117 PolarHBondContact O-N 3.05Å; P115-S117 VanDerWaalsContact O-N 3.1Å
118	S	85.9	Confident	89.6	Confident	28 Å²	28	48 Å²	48	20%	0.196	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-88.9	-5.2	177	-58.5	0	0	0	0	114.1	I114 P115 Q116 K122	I114-S118 VanDerWaalsContact CG2-CB 3.45Å; P115-S118 WeakPolarHBondContact O-CB 3.35Å; P115-S118 PolarHBondContact O-N 3.18Å; P115-S118 PolarHBondContact O-OG 3.07Å; Q116-S118 PolarHBondContact O-N 3.01Å; S118-K122 WeakPolarHBondContact O-CD 3.14Å; S118-K122 WeakPolarHBondContact O-CE 3.38Å; S118-K122 PolarHBondContact O-NZ 3.42Å
119	F	88.9	Confident	89.8	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-56.3	-177.8	-74.7	-102.6	0	0	0	112.2	I102 E105 S108 L112 I114 Q116 G121 K122 L127 M166	I102-F119 HydrophobicContact CD1-CD1 4.22Å; I102-F119 HydrophobicContact CG2-CB 4.38Å; E105-F119 HydrophobicContact CB-CB 4.11Å; E105-F119 HydrophobicContact CB-CD1 4.48Å; E105-F119 HydrophobicContact CB-CG 4.39Å; E105-F119 HydrophobicContact CG-CB 4.16Å; E105-F119 HydrophobicContact CG-CD1 3.95Å; E105-F119 HydrophobicContact CG-CD2 4.45Å; E105-F119 HydrophobicContact CG-CG 3.93Å; S108-F119 WeakPolarHBondContact OG-CD2 3.18Å; S108-F119 WeakPolarHBondContact OG-CE2 3.33Å; S108-F119 WeakPolarHBondContact OG-CZ 3.48Å; L112-F119 HydrophobicContact CD1-CE1 3.98Å; L112-F119 HydrophobicContact CD1-CZ 3.6Å; I114-F119 HydrophobicContact CB-CE2 4.11Å; I114-F119 HydrophobicContact CG2-CE2 4.03Å; Q116-F119 PolarHBondContact O-N 3.18Å; F119-G121 PolarHBondContact O-N 2.77Å; F119-K122 WeakPolarHBondContact O-CB 3.5Å; F119-K122 PolarHBondContact O-N 3.38Å; F119-L127 HydrophobicContact CD1-CD1 3.4Å; F119-L127 HydrophobicContact CE1-CD1 3.46Å; F119-L127 VanDerWaalsContact CE1-CD1 3.46Å; F119-L127 HydrophobicContact CG-CD1 4.03Å; F119-L127 HydrophobicContact CZ-CD1 4.13Å; F119-M166 HydrophobicContact CE1-CE 4.2Å
120	L	86.9	Confident	89.9	Confident	103 Å²	103	45.5 Å²	45.5	54%	0.539	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	129.6	-171.9	-64.3	175.3	0	0	0	111.8	K122	L120-K122 PolarHBondContact O-N 2.82Å
121	G	82	Confident	89.9	Confident	58 Å²	58	40.2 Å²	40.2	60%	0.598	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.7	-1	-178.8	0	0	0	0	0	115	I102 F119	I102-G121 PolarHBondContact O-N 3.43Å; F119-G121 PolarHBondContact O-N 2.77Å
122	K	92.6	Very high	89.8	Confident	80 Å²	80	45.9 Å²	45.9	35%	0.348	28%	0.275	S	S	.	.	S	Bend	trans	-90.2	165.1	166.7	-62	-157.9	-167.1	153.9	0	110.9	I102 S118 F119 L120 D126	I102-K122 PolarHBondContact N-O 3.12Å; S118-K122 WeakPolarHBondContact O-CD 3.14Å; S118-K122 WeakPolarHBondContact O-CE 3.38Å; S118-K122 PolarHBondContact O-NZ 3.42Å; F119-K122 WeakPolarHBondContact O-CB 3.5Å; F119-K122 PolarHBondContact O-N 3.38Å; L120-K122 PolarHBondContact O-N 2.82Å; K122-D126 HydrophobicContact CB-CB 4.42Å; K122-D126 HydrophobicContact CD-CB 4.38Å
123	T	94.2	Very high	89.6	Confident	36 Å²	36	46.1 Å²	46.1	22%	0.221	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-91.1	152.3	170	71.6	0	0	0	0	110.7	G100 Y125 D126	G100-T123 CarbonylContact O-C 3.51Å; G100-T123 WeakPolarHBondContact O-CA 3.22Å; T123-Y125 PolarHBondContact O-N 3.31Å; T123-Y125 VanDerWaalsContact O-N 3.15Å; T123-Y125 PolarHBondContact OG1-N 3.27Å; T123-D126 WeakPolarHBondContact CB-OD2 3.29Å; T123-D126 PolarHBondContact N-OD2 3.11Å; T123-D126 WeakPolarHBondContact O-CB 3.31Å; T123-D126 PolarHBondContact O-N 3.27Å; T123-D126 PolarHBondContact OG1-N 2.93Å; T123-D126 PolarHBondContact OG1-OD2 3.49Å
124	I	94.3	Very high	89.6	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-54	-31	169.9	-168.8	170.4	0	0	0	111.4	V95 G100 D126 L127 A128 I138 L142 I164 F191	V95-I124 HydrophobicContact CG1-CB 4.48Å; V95-I124 HydrophobicContact CG1-CG2 4.38Å; G100-I124 PolarHBondContact O-N 3.12Å; I124-D126 VanDerWaalsContact C-N 3.29Å; I124-D126 PolarHBondContact O-N 3.32Å; I124-L127 PolarHBondContact O-N 2.81Å; I124-A128 VanDerWaalsContact O-CB 3.28Å; I124-A128 WeakPolarHBondContact O-CB 3.14Å; I124-A128 PolarHBondContact O-N 2.8Å; I124-I138 HydrophobicContact CG1-CD1 4.37Å; I124-I138 HydrophobicContact CG2-CD1 4.47Å; I124-I138 HydrophobicContact CG2-CG2 3.73Å; I124-L142 HydrophobicContact CG2-CD1 4.35Å; I124-I164 HydrophobicContact CD1-CD1 4.01Å; I124-I164 HydrophobicContact CG1-CD1 4.14Å; I124-F191 HydrophobicContact CD1-CE1 3.82Å; I124-F191 HydrophobicContact CD1-CZ 3.91Å
125	Y	94.2	Very high	89.8	Confident	63 Å²	63	49 Å²	49	25%	0.247	28%	0.283	C	S	.	.	H	α-helix	trans	-65.9	-28	176.6	-54.5	-75.7	0	0	0	113.4	T123 L127 K135 I138	T123-Y125 PolarHBondContact O-N 3.31Å; T123-Y125 VanDerWaalsContact O-N 3.15Å; T123-Y125 PolarHBondContact OG1-N 3.27Å; Y125-L127 VanDerWaalsContact C-N 3.31Å; Y125-K135 HydrophobicContact CD1-CG 4.34Å; Y125-I138 HydrophobicContact CD1-CD1 4.13Å; Y125-I138 HydrophobicContact CD1-CG2 4.2Å; Y125-I138 HydrophobicContact CE1-CB 3.91Å; Y125-I138 HydrophobicContact CE1-CD1 4.37Å; Y125-I138 HydrophobicContact CE1-CG2 3.49Å; Y125-I138 VanDerWaalsContact CE1-CG2 3.49Å
126	D	93.2	Very high	89.9	Confident	99 Å²	99	51.1 Å²	51.1	53%	0.529	28%	0.283	S	S	.	.	H	α-helix	trans	-75.6	-23.2	178.1	-59.4	-50.1	0	0	0	112.4	K122 T123 I124	K122-D126 HydrophobicContact CB-CB 4.42Å; K122-D126 HydrophobicContact CD-CB 4.38Å; T123-D126 WeakPolarHBondContact CB-OD2 3.29Å; T123-D126 PolarHBondContact N-OD2 3.11Å; T123-D126 WeakPolarHBondContact O-CB 3.31Å; T123-D126 PolarHBondContact O-N 3.27Å; T123-D126 PolarHBondContact OG1-N 2.93Å; T123-D126 PolarHBondContact OG1-OD2 3.49Å; I124-D126 VanDerWaalsContact C-N 3.29Å; I124-D126 PolarHBondContact O-N 3.32Å
127	L	93.5	Very high	90.2	Very high	8 Å²	8	47.9 Å²	47.9	4%	0.042	27%	0.268	C	S	.	.	H	α-helix	trans	-99.7	-23.4	179.1	-60.7	179.4	0	0	0	112.4	I102 F119 I124 Y125 M166 R167	I102-L127 HydrophobicContact CD1-CD1 3.57Å; F119-L127 HydrophobicContact CD1-CD1 3.4Å; F119-L127 HydrophobicContact CE1-CD1 3.46Å; F119-L127 VanDerWaalsContact CE1-CD1 3.46Å; F119-L127 HydrophobicContact CG-CD1 4.03Å; F119-L127 HydrophobicContact CZ-CD1 4.13Å; I124-L127 PolarHBondContact O-N 2.81Å; Y125-L127 VanDerWaalsContact C-N 3.31Å; L127-M166 HydrophobicContact CB-CE 3.9Å; L127-M166 HydrophobicContact CD1-CE 4.09Å; L127-R167 WeakPolarHBondContact O-CB 3.27Å; L127-R167 PolarHBondContact O-N 2.9Å
128	A	94.8	Very high	90.7	Very high	4 Å²	4	42.8 Å²	42.8	3%	0.033	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-73.5	158.8	177.1	0	0	0	0	0	112.1	I124 T134 I138 I164 A165	I124-A128 VanDerWaalsContact O-CB 3.28Å; I124-A128 WeakPolarHBondContact O-CB 3.14Å; I124-A128 PolarHBondContact O-N 2.8Å; A128-T134 HydrophobicContact CB-CG2 3.86Å; A128-I138 HydrophobicContact CB-CD1 3.56Å; A128-I164 HydrophobicContact CB-CD1 4.29Å; A128-A165 CarbonylContact C-O 3.53Å; A128-A165 WeakPolarHBondContact CA-O 3.45Å
129	E	93.4	Very high	91	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	24%	0.235	C	C	.	.			trans	-63.3	131.8	172.7	-167	-83.9	167.5	0	0	110.4	S131 T134 A165 C181 Y186 V259	E129-S131 PolarHBondContact O-N 2.89Å; E129-S131 WeakPolarHBondContact OE2-CA 3.14Å; E129-S131 WeakPolarHBondContact OE2-CB 3.33Å; E129-S131 PolarHBondContact OE2-N 2.9Å; E129-S131 PolarHBondContact OE2-OG 2.99Å; E129-T134 VanDerWaalsContact O-CB 3.23Å; E129-T134 WeakPolarHBondContact O-CB 3.31Å; E129-T134 WeakPolarHBondContact O-CG2 3.24Å; E129-T134 PolarHBondContact OE2-OG1 3.2Å; E129-A165 HydrophobicContact CB-CB 3.69Å; E129-A165 HydrophobicContact CG-CB 4.48Å; E129-A165 PolarHBondContact N-O 3.37Å; E129-C181 WeakPolarHBondContact OE1-CB 3.47Å; E129-C181 PolarHBondContact OE1-N 2.73Å; E129-C181 PolarHBondContact OE1-SG 3.27Å; E129-Y186 HydrophobicContact CB-CD1 3.65Å; E129-Y186 HydrophobicContact CB-CD2 4.39Å; E129-Y186 HydrophobicContact CB-CE1 3.65Å; E129-Y186 HydrophobicContact CB-CE2 4.33Å; E129-Y186 HydrophobicContact CB-CG 4.09Å; E129-Y186 HydrophobicContact CG-CD1 4.23Å; E129-Y186 HydrophobicContact CG-CD2 4.07Å; E129-Y186 HydrophobicContact CG-CE1 4.16Å; E129-Y186 HydrophobicContact CG-CE2 3.93Å; E129-Y186 HydrophobicContact CG-CG 4.23Å; E129-Y186 VanDerWaalsContact N-CE1 3.32Å; E129-V259 HydrophobicContact CG-CG1 3.88Å
130	P	91.5	Very high	91.1	Very high	49 Å²	49	48.3 Å²	48.3	32%	0.318	26%	0.262	S	S	.	.			trans	-79.1	13.8	-163.4	28.2	-33.5	0	0	0	114.8	D182 Y186	P130-D182 HydrophobicContact CG-CB 4.04Å; P130-Y186 VanDerWaalsContact CD-OH 3.26Å; P130-Y186 WeakPolarHBondContact CD-OH 3.35Å
131	S	87.8	Confident	91.3	Very high	13 Å²	13	44.2 Å²	44.2	9%	0.091	24%	0.241	C	C	.	.	S	Bend	trans	-67.6	155.9	175.7	71.7	0	0	0	0	112.7	E129 N133 T134 K135	E129-S131 PolarHBondContact O-N 2.89Å; E129-S131 WeakPolarHBondContact OE2-CA 3.14Å; E129-S131 WeakPolarHBondContact OE2-CB 3.33Å; E129-S131 PolarHBondContact OE2-N 2.9Å; E129-S131 PolarHBondContact OE2-OG 2.99Å; S131-N133 PolarHBondContact O-N 2.86Å; S131-T134 PolarHBondContact O-N 3.16Å; S131-T134 PolarHBondContact OG-N 2.77Å; S131-T134 PolarHBondContact OG-OG1 3.19Å; S131-K135 WeakPolarHBondContact O-CG 3.36Å; S131-K135 PolarHBondContact O-N 3.44Å
132	V	87.7	Confident	91.8	Very high	120 Å²	120	41.5 Å²	41.5	73%	0.727	21%	0.213	S	C	*	.	H	α-helix	trans	-60.2	-35.3	174.7	178.5	0	0	0	0	110.9	R136	V132-R136 PolarHBondContact O-N 3.45Å
133	N	87	Confident	91.4	Very high	4 Å²	4	41.9 Å²	41.9	2%	0.021	22%	0.217	C	C	.	.	H	α-helix	trans	-68.6	-48.1	-178.7	-175.4	70.4	0	0	0	112.3	S131 K135 R136 I137 E257 L274	S131-N133 PolarHBondContact O-N 2.86Å; N133-K135 VanDerWaalsContact C-N 3.25Å; N133-K135 PolarHBondContact O-N 2.89Å; N133-R136 WeakPolarHBondContact O-CA 3.25Å; N133-R136 WeakPolarHBondContact O-CB 3.33Å; N133-R136 PolarHBondContact O-N 3.12Å; N133-I137 WeakPolarHBondContact ND2-CD1 3.24Å; N133-I137 WeakPolarHBondContact O-CG1 3.21Å; N133-I137 PolarHBondContact O-N 2.84Å; N133-E257 VanDerWaalsContact ND2-CA 3.26Å; N133-E257 WeakPolarHBondContact ND2-CA 3.42Å; N133-E257 VanDerWaalsContact ND2-CB 3.33Å; N133-E257 WeakPolarHBondContact ND2-CB 3.46Å; N133-E257 VanDerWaalsContact ND2-CG 3.33Å; N133-E257 WeakPolarHBondContact ND2-CG 3.27Å; N133-L274 HydrophobicContact CB-CD1 4.29Å; N133-L274 WeakPolarHBondContact OD1-CD1 3.26Å; N133-L274 WeakPolarHBondContact OD1-CD2 3.45Å
134	T	90.4	Very high	90.9	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-58.3	-41.9	177.4	-52.2	0	0	0	0	110.8	A128 E129 S131 R136 I137 I138 I164	A128-T134 HydrophobicContact CB-CG2 3.86Å; E129-T134 VanDerWaalsContact O-CB 3.23Å; E129-T134 WeakPolarHBondContact O-CB 3.31Å; E129-T134 WeakPolarHBondContact O-CG2 3.24Å; E129-T134 PolarHBondContact OE2-OG1 3.2Å; S131-T134 PolarHBondContact O-N 3.16Å; S131-T134 PolarHBondContact OG-N 2.77Å; S131-T134 PolarHBondContact OG-OG1 3.19Å; T134-R136 PolarHBondContact O-N 3.48Å; T134-I137 PolarHBondContact O-N 3.17Å; T134-I138 HydrophobicContact CG2-CD1 4.26Å; T134-I138 WeakPolarHBondContact O-CG1 3.26Å; T134-I138 PolarHBondContact O-N 3.09Å; T134-I138 VanDerWaalsContact O-N 3.08Å; T134-I164 HydrophobicContact CG2-CB 4.07Å; T134-I164 HydrophobicContact CG2-CG2 4.08Å
135	K	91.8	Very high	90.2	Very high	98 Å²	98	49.2 Å²	49.2	43%	0.426	24%	0.242	S	C	.	.	H	α-helix	trans	-61.6	-40.9	174.6	-69.1	175.6	-176.8	174.6	0	112.7	Y125 S131 N133 I138 T139	Y125-K135 HydrophobicContact CD1-CG 4.34Å; S131-K135 WeakPolarHBondContact O-CG 3.36Å; S131-K135 PolarHBondContact O-N 3.44Å; N133-K135 VanDerWaalsContact C-N 3.25Å; N133-K135 PolarHBondContact O-N 2.89Å; K135-I138 PolarHBondContact O-N 3.3Å; K135-T139 WeakPolarHBondContact O-CB 3.4Å; K135-T139 PolarHBondContact O-N 3.49Å; K135-T139 PolarHBondContact O-OG1 3.1Å
136	R	90.3	Very high	89.7	Confident	109 Å²	109	48.9 Å²	48.9	41%	0.411	26%	0.258	S	S	.	.	H	α-helix	trans	-59.6	-49.8	175	-172.3	179.7	89.9	174.5	4.7	110.8	V132 N133 T134 I138 T139 D140 D275	V132-R136 PolarHBondContact O-N 3.45Å; N133-R136 WeakPolarHBondContact O-CA 3.25Å; N133-R136 WeakPolarHBondContact O-CB 3.33Å; N133-R136 PolarHBondContact O-N 3.12Å; T134-R136 PolarHBondContact O-N 3.48Å; R136-I138 VanDerWaalsContact C-N 3.34Å; R136-I138 PolarHBondContact O-N 2.95Å; R136-T139 PolarHBondContact O-N 3.35Å; R136-T139 VanDerWaalsContact O-N 3.16Å; R136-D140 WeakPolarHBondContact CG-OD2 3.45Å; R136-D140 WeakPolarHBondContact O-CB 3.18Å; R136-D140 VanDerWaalsContact O-CG 3.25Å; R136-D140 PolarHBondContact O-N 3.05Å; R136-D275 IonicContact NH2-OD2 3.74Å
137	I	90.9	Very high	89.3	Confident	25 Å²	25	48.1 Å²	48.1	13%	0.128	26%	0.261	C	S	.	.	H	α-helix	trans	-56.4	-47.6	178.9	-65.8	168.2	0	0	0	111.1	N133 T134 S141 F162 I164 E257	N133-I137 WeakPolarHBondContact ND2-CD1 3.24Å; N133-I137 WeakPolarHBondContact O-CG1 3.21Å; N133-I137 PolarHBondContact O-N 2.84Å; T134-I137 PolarHBondContact O-N 3.17Å; I137-S141 VanDerWaalsContact O-CB 3.27Å; I137-S141 WeakPolarHBondContact O-CB 3.33Å; I137-S141 PolarHBondContact O-N 3.45Å; I137-S141 PolarHBondContact O-OG 3.36Å; I137-F162 HydrophobicContact CG2-CB 4.14Å; I137-F162 HydrophobicContact CG2-CD2 4.47Å; I137-I164 HydrophobicContact CB-CG2 4.3Å; I137-I164 HydrophobicContact CG2-CG2 3.79Å; I137-E257 HydrophobicContact CD1-CB 4.13Å; I137-E257 HydrophobicContact CD1-CG 4.23Å
138	I	93.9	Very high	88.9	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-62.3	-46.3	178.5	-64.7	169	0	0	0	110.7	I124 Y125 A128 T134 K135 R136 S141 L142 I164	I124-I138 HydrophobicContact CG1-CD1 4.37Å; I124-I138 HydrophobicContact CG2-CD1 4.47Å; I124-I138 HydrophobicContact CG2-CG2 3.73Å; Y125-I138 HydrophobicContact CD1-CD1 4.13Å; Y125-I138 HydrophobicContact CD1-CG2 4.2Å; Y125-I138 HydrophobicContact CE1-CB 3.91Å; Y125-I138 HydrophobicContact CE1-CD1 4.37Å; Y125-I138 HydrophobicContact CE1-CG2 3.49Å; Y125-I138 VanDerWaalsContact CE1-CG2 3.49Å; A128-I138 HydrophobicContact CB-CD1 3.56Å; T134-I138 HydrophobicContact CG2-CD1 4.26Å; T134-I138 WeakPolarHBondContact O-CG1 3.26Å; T134-I138 PolarHBondContact O-N 3.09Å; T134-I138 VanDerWaalsContact O-N 3.08Å; K135-I138 PolarHBondContact O-N 3.3Å; R136-I138 VanDerWaalsContact C-N 3.34Å; R136-I138 PolarHBondContact O-N 2.95Å; I138-S141 PolarHBondContact O-N 3.32Å; I138-L142 HydrophobicContact CG2-CD1 3.71Å; I138-L142 HydrophobicContact CG2-CG 4.3Å; I138-L142 WeakPolarHBondContact O-CB 3.28Å; I138-L142 WeakPolarHBondContact O-CG 3.39Å; I138-L142 PolarHBondContact O-N 2.93Å; I138-I164 HydrophobicContact CD1-CD1 3.95Å; I138-I164 HydrophobicContact CD1-CG2 4.49Å; I138-I164 HydrophobicContact CG1-CD1 4.08Å; I138-I164 HydrophobicContact CG1-CG2 3.89Å
139	T	92.6	Very high	88.5	Confident	40 Å²	40	53.2 Å²	53.2	25%	0.245	28%	0.284	C	S	.	.	H	α-helix	trans	-61.2	-49.9	-179	-56.9	0	0	0	0	110.8	K135 R136 S141 L142 M143	K135-T139 WeakPolarHBondContact O-CB 3.4Å; K135-T139 PolarHBondContact O-N 3.49Å; K135-T139 PolarHBondContact O-OG1 3.1Å; R136-T139 PolarHBondContact O-N 3.35Å; R136-T139 VanDerWaalsContact O-N 3.16Å; T139-S141 PolarHBondContact O-N 3.3Å; T139-L142 PolarHBondContact O-N 3.32Å; T139-M143 HydrophobicContact CG2-CE 3.78Å; T139-M143 HydrophobicContact CG2-CG 3.93Å; T139-M143 HydrophobicContact CG2-SD 3.46Å; T139-M143 WeakPolarHBondContact CG2-SD 3.2Å; T139-M143 WeakPolarHBondContact O-CB 3.27Å; T139-M143 VanDerWaalsContact O-CG 3.29Å; T139-M143 WeakPolarHBondContact O-CG 3.48Å; T139-M143 PolarHBondContact O-N 3.46Å
140	D	90.3	Very high	88	Confident	104 Å²	104	57.6 Å²	57.6	56%	0.556	31%	0.305	S	S	*	.	H	α-helix	trans	-65	-30.3	-179.5	-65.6	-12.2	0	0	0	112	R136	R136-D140 WeakPolarHBondContact CG-OD2 3.45Å; R136-D140 WeakPolarHBondContact O-CB 3.18Å; R136-D140 VanDerWaalsContact O-CG 3.25Å; R136-D140 PolarHBondContact O-N 3.05Å
141	S	92	Very high	87.6	Confident	16 Å²	16	59.4 Å²	59.4	11%	0.112	31%	0.309	C	S	.	.	H	α-helix	trans	-79.7	-36.2	179.5	-57	0	0	0	0	112.9	I137 I138 T139 R160 F162	I137-S141 VanDerWaalsContact O-CB 3.27Å; I137-S141 WeakPolarHBondContact O-CB 3.33Å; I137-S141 PolarHBondContact O-N 3.45Å; I137-S141 PolarHBondContact O-OG 3.36Å; I138-S141 PolarHBondContact O-N 3.32Å; T139-S141 PolarHBondContact O-N 3.3Å; S141-R160 WeakPolarHBondContact O-CD 3.24Å; S141-R160 PolarHBondContact O-NE 3.37Å; S141-F162 VanDerWaalsContact OG-CB 3.27Å; S141-F162 WeakPolarHBondContact OG-CB 3.43Å; S141-F162 WeakPolarHBondContact OG-CG 3.38Å
142	L	91.9	Very high	87.5	Confident	2 Å²	2	58.9 Å²	58.9	1%	0.01	31%	0.305	C	S	.	.	H	α-helix	trans	-93.9	-23.9	-177.1	-64	-177.6	0	0	0	113.6	V95 C97 I124 I138 T139 F144 F210	V95-L142 HydrophobicContact CG1-CD1 4.12Å; C97-L142 HydrophobicContact CB-CB 4.48Å; I124-L142 HydrophobicContact CG2-CD1 4.35Å; I138-L142 HydrophobicContact CG2-CD1 3.71Å; I138-L142 HydrophobicContact CG2-CG 4.3Å; I138-L142 WeakPolarHBondContact O-CB 3.28Å; I138-L142 WeakPolarHBondContact O-CG 3.39Å; I138-L142 PolarHBondContact O-N 2.93Å; T139-L142 PolarHBondContact O-N 3.32Å; L142-F144 VanDerWaalsContact O-CD1 3.24Å; L142-F144 WeakPolarHBondContact O-CD1 3.45Å; L142-F144 WeakPolarHBondContact O-CE1 3.36Å; L142-F210 HydrophobicContact CD2-CB 3.72Å; L142-F210 HydrophobicContact CD2-CD2 4.42Å; L142-F210 HydrophobicContact CD2-CG 4.03Å
143	M	84.6	Confident	87.3	Confident	88 Å²	88	59 Å²	59	43%	0.433	29%	0.293	S	S	.	.			trans	-85	139.5	174.8	-66.8	-165.6	173.4	0	0	110.9	T139 Y145	T139-M143 HydrophobicContact CG2-CE 3.78Å; T139-M143 HydrophobicContact CG2-CG 3.93Å; T139-M143 HydrophobicContact CG2-SD 3.46Å; T139-M143 WeakPolarHBondContact CG2-SD 3.2Å; T139-M143 WeakPolarHBondContact O-CB 3.27Å; T139-M143 VanDerWaalsContact O-CG 3.29Å; T139-M143 WeakPolarHBondContact O-CG 3.48Å; T139-M143 PolarHBondContact O-N 3.46Å; M143-Y145 HydrophobicContact CB-CE2 4.31Å; M143-Y145 PolarHBondContact SD-OH 2.88Å
144	F	82.2	Confident	87.1	Confident	18 Å²	18	63.4 Å²	63.4	8%	0.079	32%	0.316	C	S	.	.			trans	-156.3	150	177.6	54.7	-78.8	0	0	0	108.7	C97 L142 E148 M149 I195 Y208	C97-F144 HydrophobicContact CB-CE1 4.24Å; L142-F144 VanDerWaalsContact O-CD1 3.24Å; L142-F144 WeakPolarHBondContact O-CD1 3.45Å; L142-F144 WeakPolarHBondContact O-CE1 3.36Å; F144-E148 HydrophobicContact CB-CB 4.14Å; F144-E148 WeakPolarHBondContact CB-OE2 3.28Å; F144-E148 HydrophobicContact CD2-CB 4.17Å; F144-M149 HydrophobicContact CD2-CB 3.92Å; F144-M149 HydrophobicContact CD2-CG 4.42Å; F144-M149 HydrophobicContact CE2-CB 4.03Å; F144-M149 HydrophobicContact CE2-CG 4.1Å; F144-I195 HydrophobicContact CD1-CD1 3.56Å; F144-I195 HydrophobicContact CD1-CG2 4.46Å; F144-I195 HydrophobicContact CE1-CB 4.46Å; F144-I195 HydrophobicContact CE1-CD1 3.61Å; F144-I195 HydrophobicContact CE1-CG2 3.58Å; F144-I195 HydrophobicContact CE2-CG2 4.4Å; F144-I195 HydrophobicContact CG-CD1 4.49Å; F144-I195 HydrophobicContact CZ-CD1 4.49Å; F144-I195 HydrophobicContact CZ-CG2 3.51Å; F144-Y208 HydrophobicContact CE1-CG 4.32Å; F144-Y208 AromaticContact CE2-CD1 3.75Å; F144-Y208 HydrophobicContact CE2-CD1 3.75Å; F144-Y208 AromaticContact CE2-CE1 3.85Å; F144-Y208 HydrophobicContact CE2-CE1 3.85Å; F144-Y208 HydrophobicContact CE2-CG 4.1Å; F144-Y208 AromaticContact CZ-CD1 3.39Å; F144-Y208 HydrophobicContact CZ-CD1 3.39Å; F144-Y208 AromaticContact CZ-CD2 3.97Å; F144-Y208 HydrophobicContact CZ-CD2 3.97Å; F144-Y208 AromaticContact CZ-CE1 3.97Å; F144-Y208 HydrophobicContact CZ-CE1 3.97Å; F144-Y208 AromaticContact CZ-CG 3.38Å; F144-Y208 HydrophobicContact CZ-CG 3.38Å
145	Y	80.8	Confident	86.6	Confident	172 Å²	172	66.3 Å²	66.3	68%	0.675	35%	0.346	S	S	*	.			trans	-139.1	164.7	-173.5	-58.4	-76.7	0	0	0	110.7	M143 S147	M143-Y145 HydrophobicContact CB-CE2 4.31Å; M143-Y145 PolarHBondContact SD-OH 2.88Å; Y145-S147 PolarHBondContact O-N 3.25Å
146	G	83.3	Confident	86	Confident	56 Å²	56	66.9 Å²	66.9	58%	0.577	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.1	-120.9	170.4	0	0	0	0	0	113.4	E148 M149 Q150	G146-E148 PolarHBondContact O-N 3.43Å; G146-M149 WeakPolarHBondContact O-CB 3.38Å; G146-M149 PolarHBondContact O-N 2.82Å; G146-Q150 PolarHBondContact O-N 2.63Å; G146-Q150 VanDerWaalsContact O-N 3.14Å
147	S	85.2	Confident	85.6	Confident	83 Å²	83	64.7 Å²	64.7	58%	0.58	35%	0.346	S	S	*	.	H	α-helix	trans	-62.8	-40.1	-171.8	52.4	0	0	0	0	113.4	Y145 M149 Q150 Q151	Y145-S147 PolarHBondContact O-N 3.25Å; S147-M149 VanDerWaalsContact C-N 3.29Å; S147-M149 PolarHBondContact O-N 3.24Å; S147-Q150 PolarHBondContact O-N 2.96Å; S147-Q151 WeakPolarHBondContact O-CB 3.27Å; S147-Q151 WeakPolarHBondContact O-CG 3.49Å; S147-Q151 PolarHBondContact O-N 3.33Å
148	E	85.5	Confident	85.3	Confident	60 Å²	60	63.7 Å²	63.7	28%	0.28	34%	0.342	S	S	.	.	H	α-helix	trans	-64	-38.4	178.6	-66.8	-172.7	110.3	0	0	111.3	F144 G146 Q150 Q151 A152 V158 R160	F144-E148 HydrophobicContact CB-CB 4.14Å; F144-E148 WeakPolarHBondContact CB-OE2 3.28Å; F144-E148 HydrophobicContact CD2-CB 4.17Å; G146-E148 PolarHBondContact O-N 3.43Å; E148-Q150 VanDerWaalsContact C-N 3.35Å; E148-Q151 WeakPolarHBondContact O-CB 3.44Å; E148-Q151 PolarHBondContact O-N 2.8Å; E148-A152 WeakPolarHBondContact O-CB 3.36Å; E148-A152 PolarHBondContact O-N 2.83Å; E148-V158 HydrophobicContact CB-CG1 4.31Å; E148-V158 HydrophobicContact CB-CG2 4.32Å; E148-V158 HydrophobicContact CG-CG1 4.46Å; E148-V158 WeakPolarHBondContact OE1-CG1 3.31Å; E148-R160 IonicContact OE1-CZ 2.79Å; E148-R160 VanDerWaalsContact OE1-CZ 3.3Å; E148-R160 IonicContact OE1-NH1 3.84Å; E148-R160 PolarHBondContact OE1-NH1 3.37Å; E148-R160 IonicContact OE1-NH2 2.79Å; E148-R160 PolarHBondContact OE1-NH2 3.49Å; E148-R160 IonicContact OE2-NH2 2.78Å; E148-R160 PolarHBondContact OE2-NH2 3.33Å
149	M	84.7	Confident	85	Confident	60 Å²	60	68 Å²	68	30%	0.296	37%	0.371	S	S	.	.	H	α-helix	trans	-66.2	-39.9	178.2	-167.8	-174.5	-162	0	0	111.6	F144 G146 S147 R153 Y208	F144-M149 HydrophobicContact CD2-CB 3.92Å; F144-M149 HydrophobicContact CD2-CG 4.42Å; F144-M149 HydrophobicContact CE2-CB 4.03Å; F144-M149 HydrophobicContact CE2-CG 4.1Å; G146-M149 WeakPolarHBondContact O-CB 3.38Å; G146-M149 PolarHBondContact O-N 2.82Å; S147-M149 VanDerWaalsContact C-N 3.29Å; S147-M149 PolarHBondContact O-N 3.24Å; M149-R153 WeakPolarHBondContact O-CG 3.44Å; M149-R153 PolarHBondContact O-N 3.09Å; M149-R153 VanDerWaalsContact O-N 3.12Å; M149-Y208 HydrophobicContact CE-CE2 3.37Å; M149-Y208 WeakPolarHBondContact CE-OH 3.36Å; M149-Y208 HydrophobicContact CG-CE1 4.13Å; M149-Y208 HydrophobicContact CG-CE2 4.16Å; M149-Y208 WeakPolarHBondContact CG-OH 3.36Å
150	Q	83.2	Confident	84.9	Confident	93 Å²	93	68 Å²	68	44%	0.435	37%	0.367	S	S	.	.	H	α-helix	trans	-67.7	-43.7	174.6	-172.2	56.9	48.3	0	0	111.3	G146 S147 E148 A152 R153 D154	G146-Q150 PolarHBondContact O-N 2.63Å; G146-Q150 VanDerWaalsContact O-N 3.14Å; S147-Q150 PolarHBondContact O-N 2.96Å; E148-Q150 VanDerWaalsContact C-N 3.35Å; Q150-A152 VanDerWaalsContact C-N 3.34Å; Q150-A152 PolarHBondContact O-N 2.7Å; Q150-R153 WeakPolarHBondContact O-CB 3.27Å; Q150-R153 PolarHBondContact O-N 2.98Å; Q150-R153 VanDerWaalsContact O-N 3.13Å; Q150-D154 PolarHBondContact NE2-OD1 3.46Å; Q150-D154 PolarHBondContact NE2-OD2 3.15Å; Q150-D154 WeakPolarHBondContact O-CB 3.29Å; Q150-D154 PolarHBondContact O-N 2.84Å
151	Q	84.1	Confident	84.8	Confident	86 Å²	86	66.3 Å²	66.3	40%	0.402	36%	0.358	S	S	.	.	H	α-helix	trans	-55	-48.8	174.6	-76.6	170.9	24.1	0	0	111.5	S147 E148 R153 D154 G155 H156 V158	S147-Q151 WeakPolarHBondContact O-CB 3.27Å; S147-Q151 WeakPolarHBondContact O-CG 3.49Å; S147-Q151 PolarHBondContact O-N 3.33Å; E148-Q151 WeakPolarHBondContact O-CB 3.44Å; E148-Q151 PolarHBondContact O-N 2.8Å; Q151-R153 VanDerWaalsContact C-N 3.34Å; Q151-R153 PolarHBondContact O-N 2.86Å; Q151-D154 CarbonylContact O-C 3.59Å; Q151-D154 PolarHBondContact O-N 2.96Å; Q151-D154 VanDerWaalsContact O-N 3.13Å; Q151-G155 PolarHBondContact O-N 3.46Å; Q151-H156 HydrophobicContact CB-CB 4Å; Q151-H156 WeakPolarHBondContact O-CA 3.33Å; Q151-H156 VanDerWaalsContact O-CB 3.28Å; Q151-H156 WeakPolarHBondContact O-CB 3.15Å; Q151-H156 PolarHBondContact O-N 2.84Å; Q151-H156 PolarHBondContact O-ND1 3.41Å; Q151-V158 HydrophobicContact CB-CG2 4.44Å
152	A	84.5	Confident	84.8	Confident	2 Å²	2	66 Å²	66	2%	0.017	36%	0.355	C	S	.	.	H	α-helix	trans	-59.9	-41.6	176.8	0	0	0	0	0	112.5	E148 Q150 D154 G155 H156 V158 Y197 Y208	E148-A152 WeakPolarHBondContact O-CB 3.36Å; E148-A152 PolarHBondContact O-N 2.83Å; Q150-A152 VanDerWaalsContact C-N 3.34Å; Q150-A152 PolarHBondContact O-N 2.7Å; A152-D154 VanDerWaalsContact C-N 3.31Å; A152-D154 PolarHBondContact O-N 2.9Å; A152-G155 PolarHBondContact O-N 2.94Å; A152-G155 VanDerWaalsContact O-N 3.11Å; A152-H156 WeakPolarHBondContact CA-O 3.4Å; A152-V158 HydrophobicContact CB-CG2 4.18Å; A152-Y197 VanDerWaalsContact O-CB 3.32Å; A152-Y197 WeakPolarHBondContact O-CB 3.41Å; A152-Y208 HydrophobicContact CB-CD1 4.23Å; A152-Y208 HydrophobicContact CB-CE1 4Å
153	R	84.9	Confident	84.7	Confident	123 Å²	123	66.4 Å²	66.4	46%	0.464	36%	0.357	S	S	.	.	H	α-helix	trans	-65.1	-34.1	175.1	-75.9	178.7	176.1	179	-1.7	113.2	M149 Q150 Q151 G155 Y197 Y208	M149-R153 WeakPolarHBondContact O-CG 3.44Å; M149-R153 PolarHBondContact O-N 3.09Å; M149-R153 VanDerWaalsContact O-N 3.12Å; Q150-R153 WeakPolarHBondContact O-CB 3.27Å; Q150-R153 PolarHBondContact O-N 2.98Å; Q150-R153 VanDerWaalsContact O-N 3.13Å; Q151-R153 VanDerWaalsContact C-N 3.34Å; Q151-R153 PolarHBondContact O-N 2.86Å; R153-G155 PolarHBondContact O-N 2.85Å; R153-Y197 HydrophobicContact CB-CD1 4.48Å; R153-Y197 HydrophobicContact CG-CD1 4.09Å; R153-Y197 HydrophobicContact CG-CD2 4.1Å; R153-Y197 HydrophobicContact CG-CE1 4.23Å; R153-Y197 HydrophobicContact CG-CE2 4.23Å; R153-Y197 HydrophobicContact CG-CG 4Å; R153-Y208 HydrophobicContact CG-CE1 4.42Å; R153-Y208 PolarHBondContact NE-OH 3.3Å
154	D	83.1	Confident	85.1	Confident	97 Å²	97	62.2 Å²	62.2	52%	0.519	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	3.7	175.6	-61.8	-24.1	0	0	0	112.2	Q150 Q151 A152	Q150-D154 PolarHBondContact NE2-OD1 3.46Å; Q150-D154 PolarHBondContact NE2-OD2 3.15Å; Q150-D154 WeakPolarHBondContact O-CB 3.29Å; Q150-D154 PolarHBondContact O-N 2.84Å; Q151-D154 CarbonylContact O-C 3.59Å; Q151-D154 PolarHBondContact O-N 2.96Å; Q151-D154 VanDerWaalsContact O-N 3.13Å; A152-D154 VanDerWaalsContact C-N 3.31Å; A152-D154 PolarHBondContact O-N 2.9Å
155	G	78	Confident	85.6	Confident	61 Å²	61	61.4 Å²	61.4	63%	0.629	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.2	10.4	178.2	0	0	0	0	0	114.6	Q151 A152 R153	Q151-G155 PolarHBondContact O-N 3.46Å; A152-G155 PolarHBondContact O-N 2.94Å; A152-G155 VanDerWaalsContact O-N 3.11Å; R153-G155 PolarHBondContact O-N 2.85Å
156	H	80.4	Confident	86.3	Confident	110 Å²	110	53.2 Å²	53.2	51%	0.509	30%	0.3	S	S	.	.			trans	-77.5	147.2	171.5	-60.2	77.4	0	0	0	110.2	Q151 A152	Q151-H156 HydrophobicContact CB-CB 4Å; Q151-H156 WeakPolarHBondContact O-CA 3.33Å; Q151-H156 VanDerWaalsContact O-CB 3.28Å; Q151-H156 WeakPolarHBondContact O-CB 3.15Å; Q151-H156 PolarHBondContact O-N 2.84Å; Q151-H156 PolarHBondContact O-ND1 3.41Å; A152-H156 WeakPolarHBondContact CA-O 3.4Å
157	L	80.7	Confident	86.7	Confident	62 Å²	62	55.2 Å²	55.2	33%	0.325	29%	0.291	S	S	.	.			trans	-86.5	130.7	178.5	-53.4	-179.8	0	0	0	109.3	D194 V196	L157-D194 HydrophobicContact CB-CB 4.16Å; L157-D194 WeakPolarHBondContact CD2-OD2 3.4Å; L157-V196 HydrophobicContact CD2-CG1 3.7Å
158	V	86	Confident	87.1	Confident	5 Å²	5	51.8 Å²	51.8	3%	0.03	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	99.8	176.9	174.5	0	0	0	0	108.1	E148 Q151 A152 D194 I195	E148-V158 HydrophobicContact CB-CG1 4.31Å; E148-V158 HydrophobicContact CB-CG2 4.32Å; E148-V158 HydrophobicContact CG-CG1 4.46Å; E148-V158 WeakPolarHBondContact OE1-CG1 3.31Å; Q151-V158 HydrophobicContact CB-CG2 4.44Å; A152-V158 HydrophobicContact CB-CG2 4.18Å; V158-D194 CarbonylContact O-C 3.55Å; V158-D194 WeakPolarHBondContact O-CA 3.1Å; V158-I195 HydrophobicContact CB-CB 4.2Å; V158-I195 PolarHBondContact N-O 3.21Å; V158-I195 PolarHBondContact O-N 2.95Å
159	S	87.5	Confident	87.2	Confident	89 Å²	89	49.6 Å²	49.6	62%	0.622	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.7	142.5	-175.1	55.9	0	0	0	0	112.4
160	R	89.6	Confident	87.2	Confident	40 Å²	40	52.8 Å²	52.8	15%	0.151	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	133.9	175.3	-67.6	-62.7	-175.7	-105.7	9	110.7	S141 E148 G193 I195 F210	S141-R160 WeakPolarHBondContact O-CD 3.24Å; S141-R160 PolarHBondContact O-NE 3.37Å; E148-R160 IonicContact OE1-CZ 2.79Å; E148-R160 VanDerWaalsContact OE1-CZ 3.3Å; E148-R160 IonicContact OE1-NH1 3.84Å; E148-R160 PolarHBondContact OE1-NH1 3.37Å; E148-R160 IonicContact OE1-NH2 2.79Å; E148-R160 PolarHBondContact OE1-NH2 3.49Å; E148-R160 IonicContact OE2-NH2 2.78Å; E148-R160 PolarHBondContact OE2-NH2 3.33Å; R160-G193 PolarHBondContact N-O 3.09Å; R160-G193 PolarHBondContact O-N 3.45Å; R160-I195 HydrophobicContact CG-CD1 3.74Å; R160-I195 HydrophobicContact CG-CG1 3.91Å; R160-F210 HydrophobicContact CB-CD2 4.24Å; R160-F210 HydrophobicContact CB-CE2 3.95Å
161	N	89.7	Confident	87.4	Confident	69 Å²	69	52.4 Å²	52.4	37%	0.369	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	127.5	168	-179.2	-38.1	0	0	0	108.3	E190 F191	N161-E190 PolarHBondContact ND2-OE1 2.81Å; N161-E190 PolarHBondContact OD1-OE1 2.96Å; N161-F191 VanDerWaalsContact CA-O 3.27Å; N161-F191 WeakPolarHBondContact CA-O 3.46Å
162	F	90.7	Very high	87.6	Confident	10 Å²	10	49 Å²	49	4%	0.044	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	157.7	173.5	58.9	-84.5	0	0	0	111.3	I137 S141 I164 F191 F210	I137-F162 HydrophobicContact CG2-CB 4.14Å; I137-F162 HydrophobicContact CG2-CD2 4.47Å; S141-F162 VanDerWaalsContact OG-CB 3.27Å; S141-F162 WeakPolarHBondContact OG-CB 3.43Å; S141-F162 WeakPolarHBondContact OG-CG 3.38Å; F162-I164 HydrophobicContact CD2-CG2 4.08Å; F162-I164 HydrophobicContact CE2-CD1 4.43Å; F162-F191 HydrophobicContact CD1-CB 4.01Å; F162-F191 HydrophobicContact CD2-CB 4.02Å; F162-F191 HydrophobicContact CD2-CD2 4.18Å; F162-F191 HydrophobicContact CD2-CG 4.16Å; F162-F191 HydrophobicContact CE1-CB 3.67Å; F162-F191 HydrophobicContact CE1-CD1 4.49Å; F162-F191 HydrophobicContact CE1-CG 4.24Å; F162-F191 HydrophobicContact CE2-CB 3.7Å; F162-F191 AromaticContact CE2-CD1 3.93Å; F162-F191 HydrophobicContact CE2-CD1 3.93Å; F162-F191 AromaticContact CE2-CD2 3.71Å; F162-F191 HydrophobicContact CE2-CD2 3.71Å; F162-F191 HydrophobicContact CE2-CE1 4.49Å; F162-F191 HydrophobicContact CE2-CE2 4.32Å; F162-F191 AromaticContact CE2-CG 3.5Å; F162-F191 HydrophobicContact CE2-CG 3.5Å; F162-F191 HydrophobicContact CG-CB 4.18Å; F162-F191 HydrophobicContact CZ-CB 3.51Å; F162-F191 AromaticContact CZ-CD1 3.66Å; F162-F191 HydrophobicContact CZ-CD1 3.66Å; F162-F191 HydrophobicContact CZ-CD2 4.24Å; F162-F191 HydrophobicContact CZ-CE1 4.43Å; F162-F191 AromaticContact CZ-CG 3.55Å; F162-F191 HydrophobicContact CZ-CG 3.55Å; F162-F191 PolarHBondContact N-O 2.89Å; F162-F191 VanDerWaalsContact N-O 3.08Å; F162-F191 PolarHBondContact O-N 2.99Å; F162-F210 HydrophobicContact CE1-CE2 4.09Å; F162-F210 HydrophobicContact CE1-CZ 4.16Å
163	I	91.2	Very high	87.7	Confident	11 Å²	11	52.5 Å²	52.5	6%	0.056	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	132	179.2	-61.6	162.2	0	0	0	108.1	F188 I189 E190 L217 R247	I163-F188 HydrophobicContact CG2-CB 4.17Å; I163-F188 HydrophobicContact CG2-CD1 4.1Å; I163-F188 HydrophobicContact CG2-CG 4.47Å; I163-I189 WeakPolarHBondContact CA-O 3.45Å; I163-E190 HydrophobicContact CG1-CB 4.04Å; I163-E190 HydrophobicContact CG1-CG 4.1Å; I163-L217 HydrophobicContact CB-CD1 4.42Å; I163-L217 HydrophobicContact CD1-CD1 3.53Å; I163-L217 HydrophobicContact CG1-CD1 3.81Å; I163-L217 HydrophobicContact CG2-CD1 3.71Å; I163-R247 PolarHBondContact O-NH2 2.9Å
164	I	92.9	Very high	87.6	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	153.7	174.2	56.9	167.8	0	0	0	111	I124 A128 T134 I137 I138 F162 M166 I189 F191	I124-I164 HydrophobicContact CD1-CD1 4.01Å; I124-I164 HydrophobicContact CG1-CD1 4.14Å; A128-I164 HydrophobicContact CB-CD1 4.29Å; T134-I164 HydrophobicContact CG2-CB 4.07Å; T134-I164 HydrophobicContact CG2-CG2 4.08Å; I137-I164 HydrophobicContact CB-CG2 4.3Å; I137-I164 HydrophobicContact CG2-CG2 3.79Å; I138-I164 HydrophobicContact CD1-CD1 3.95Å; I138-I164 HydrophobicContact CD1-CG2 4.49Å; I138-I164 HydrophobicContact CG1-CD1 4.08Å; I138-I164 HydrophobicContact CG1-CG2 3.89Å; F162-I164 HydrophobicContact CD2-CG2 4.08Å; F162-I164 HydrophobicContact CE2-CD1 4.43Å; I164-M166 HydrophobicContact CD1-CG 3.98Å; I164-M166 HydrophobicContact CG1-CG 4.06Å; I164-M166 PolarHBondContact O-N 2.93Å; I164-I189 PolarHBondContact N-O 3.45Å; I164-I189 PolarHBondContact O-N 3.06Å; I164-F191 HydrophobicContact CD1-CD2 4.36Å; I164-F191 HydrophobicContact CD1-CE2 3.6Å; I164-F191 HydrophobicContact CD1-CZ 3.93Å; I164-F191 HydrophobicContact CG1-CD2 3.96Å; I164-F191 HydrophobicContact CG1-CE2 3.45Å; I164-F191 VanDerWaalsContact CG1-CE2 3.45Å; I164-F191 HydrophobicContact CG1-CZ 4.29Å
165	A	92.6	Very high	87.5	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	114.2	166.6	0	0	0	0	0	110.4	A128 E129 I178 Y186 R187 F188 V259	A128-A165 CarbonylContact C-O 3.53Å; A128-A165 WeakPolarHBondContact CA-O 3.45Å; E129-A165 HydrophobicContact CB-CB 3.69Å; E129-A165 HydrophobicContact CG-CB 4.48Å; E129-A165 PolarHBondContact N-O 3.37Å; A165-I178 HydrophobicContact CB-CD1 3.76Å; A165-Y186 HydrophobicContact CB-CD1 4.33Å; A165-Y186 HydrophobicContact CB-CG 4.37Å; A165-R187 WeakPolarHBondContact CA-O 3.4Å; A165-F188 HydrophobicContact CB-CD1 4.29Å; A165-F188 HydrophobicContact CB-CE1 4.23Å; A165-V259 HydrophobicContact CB-CG1 4.41Å; A165-V259 HydrophobicContact CB-CG2 4.19Å
166	M	93.6	Very high	87.8	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	142.4	173.7	-67.7	-168.8	77.3	0	0	111.6	F91 L112 F119 L127 I164 C168 Y186 R187 I189 F191	F91-M166 HydrophobicContact CZ-CE 4.5Å; F91-M166 HydrophobicContact CZ-SD 3.9Å; L112-M166 HydrophobicContact CD1-CB 4.43Å; L112-M166 HydrophobicContact CD1-CE 4.07Å; L112-M166 HydrophobicContact CD1-SD 4.17Å; L112-M166 HydrophobicContact CD2-CB 4.12Å; F119-M166 HydrophobicContact CE1-CE 4.2Å; L127-M166 HydrophobicContact CB-CE 3.9Å; L127-M166 HydrophobicContact CD1-CE 4.09Å; I164-M166 HydrophobicContact CD1-CG 3.98Å; I164-M166 HydrophobicContact CG1-CG 4.06Å; I164-M166 PolarHBondContact O-N 2.93Å; M166-C168 PolarHBondContact O-N 3.28Å; M166-Y186 CarbonylContact O-C 3.6Å; M166-Y186 WeakPolarHBondContact O-CA 3.04Å; M166-Y186 WeakPolarHBondContact O-CB 3.41Å; M166-R187 PolarHBondContact N-O 2.89Å; M166-R187 PolarHBondContact O-N 2.66Å; M166-I189 HydrophobicContact CB-CG1 3.85Å; M166-I189 HydrophobicContact CG-CB 4.17Å; M166-I189 HydrophobicContact CG-CG1 3.94Å; M166-I189 HydrophobicContact SD-CB 4.08Å; M166-I189 HydrophobicContact SD-CG1 3.94Å; M166-I189 HydrophobicContact SD-CG2 4.16Å; M166-F191 HydrophobicContact CE-CZ 4.29Å; M166-F191 HydrophobicContact CG-CE2 4.25Å; M166-F191 HydrophobicContact CG-CZ 4.41Å; M166-F191 HydrophobicContact SD-CE2 3.63Å; M166-F191 HydrophobicContact SD-CZ 3.4Å; M166-F191 WeakPolarHBondContact SD-CZ 3.49Å
167	R	93.4	Very high	88.1	Confident	99 Å²	99	45.7 Å²	45.7	37%	0.374	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	139	-179.5	-168.7	173.7	-172.3	166.8	3.8	109.7	I114 L127 L185 Y186	I114-R167 HydrophobicContact CD1-CB 4.01Å; I114-R167 HydrophobicContact CD1-CG 4.06Å; I114-R167 WeakPolarHBondContact CD1-O 3.24Å; L127-R167 WeakPolarHBondContact O-CB 3.27Å; L127-R167 PolarHBondContact O-N 2.9Å; R167-L185 WeakPolarHBondContact CA-O 3.1Å; R167-Y186 HydrophobicContact CB-CD1 4.22Å; R167-Y186 HydrophobicContact CB-CE1 3.89Å
168	C	91.9	Very high	88.5	Confident	10 Å²	10	42.8 Å²	42.8	7%	0.068	25%	0.246	C	C	.	.			trans	-125.8	155.4	174.4	63.5	0	0	0	0	111.8	L112 M166 I172 L185 R187	L112-C168 CarbonylContact O-C 3.53Å; L112-C168 WeakPolarHBondContact O-CA 3.29Å; L112-C168 WeakPolarHBondContact O-CB 3.04Å; M166-C168 PolarHBondContact O-N 3.28Å; C168-I172 HydrophobicContact CB-CB 4.49Å; C168-I172 HydrophobicContact CB-CG1 4.09Å; C168-L185 PolarHBondContact N-O 3.35Å; C168-L185 VanDerWaalsContact SG-C 3.54Å; C168-R187 HydrophobicContact CB-CB 4.45Å
169	G	88.5	Confident	88.6	Confident	15 Å²	15	45.9 Å²	45.9	16%	0.155	26%	0.257	C	S	.	.			trans	-82.7	170.8	175.1	0	0	0	0	0	112.6	L112 G113 S171 I172	L112-G169 PolarHBondContact O-N 2.73Å; G113-G169 WeakPolarHBondContact O-CA 3.43Å; G169-S171 PolarHBondContact O-N 3.07Å; G169-I172 PolarHBondContact O-N 3.07Å
170	S	85.5	Confident	88.7	Confident	126 Å²	126	41.8 Å²	41.8	88%	0.881	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-9.9	-178.8	52.2	0	0	0	0	114.6	I172	S170-I172 VanDerWaalsContact C-N 3.29Å
171	S	87.5	Confident	88.6	Confident	86 Å²	86	42.5 Å²	42.5	60%	0.601	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-21.8	175.2	57.1	0	0	0	0	112.9	G113 G169	G113-S171 VanDerWaalsContact CA-OG 3.24Å; G113-S171 WeakPolarHBondContact CA-OG 3.47Å; G169-S171 PolarHBondContact O-N 3.07Å
172	I	87.9	Confident	88.5	Confident	15 Å²	15	42.6 Å²	42.6	8%	0.077	24%	0.24	C	C	.	.	S	Bend	trans	-78.4	128.6	179.2	-54.8	-54.3	0	0	0	109.6	I111 C168 G169 S170 V174 H176	I111-I172 WeakPolarHBondContact O-CD1 2.98Å; C168-I172 HydrophobicContact CB-CB 4.49Å; C168-I172 HydrophobicContact CB-CG1 4.09Å; G169-I172 PolarHBondContact O-N 3.07Å; S170-I172 VanDerWaalsContact C-N 3.29Å; I172-V174 PolarHBondContact O-N 3.34Å; I172-H176 HydrophobicContact CG2-CB 4.06Å
173	P	85.5	Confident	88.3	Confident	74 Å²	74	43.5 Å²	43.5	48%	0.481	25%	0.253	S	S	.	.			trans	-60.8	133.8	178.7	-20	29.4	0	0	0	111.7	K175 H176	P173-K175 HydrophobicContact CB-CG 4.28Å; P173-K175 PolarHBondContact O-N 2.91Å; P173-H176 WeakPolarHBondContact O-CB 3.44Å; P173-H176 PolarHBondContact O-N 3.06Å
174	V	82.9	Confident	88.2	Confident	89 Å²	89	46.8 Å²	46.8	54%	0.539	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-53.9	-27.9	-174.2	-179.7	0	0	0	0	113.8	I172 H176 C177	I172-V174 PolarHBondContact O-N 3.34Å; V174-H176 PolarHBondContact O-N 3.47Å; V174-C177 PolarHBondContact O-N 3.01Å
175	K	80.9	Confident	88.1	Confident	129 Å²	129	49.6 Å²	49.6	56%	0.561	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-60.3	-28.1	175.9	68.4	-179.5	-175.8	177	0	113.5	P173	P173-K175 HydrophobicContact CB-CG 4.28Å; P173-K175 PolarHBondContact O-N 2.91Å
176	H	85	Confident	88.1	Confident	26 Å²	26	49.9 Å²	49.9	12%	0.12	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-90.1	-3.7	176.8	-57.5	-68.5	0	0	0	112.9	I172 P173 V174 D218	I172-H176 HydrophobicContact CG2-CB 4.06Å; P173-H176 WeakPolarHBondContact O-CB 3.44Å; P173-H176 PolarHBondContact O-N 3.06Å; V174-H176 PolarHBondContact O-N 3.47Å; H176-D218 IonicContact CE1-OD1 3.64Å; H176-D218 IonicContact CE1-OD2 3.89Å; H176-D218 IonicContact CG-OD1 3.35Å; H176-D218 IonicContact ND1-OD1 2.83Å; H176-D218 PolarHBondContact ND1-OD1 3.12Å; H176-D218 IonicContact ND1-OD2 3.82Å
177	C	87.7	Confident	88	Confident	4 Å²	4	50.6 Å²	50.6	3%	0.027	29%	0.286	C	S	.	.			trans	-100.6	157.5	-176.3	-54.7	0	0	0	0	111.8	V174 L185 Y186 K339	V174-C177 PolarHBondContact O-N 3.01Å; C177-L185 HydrophobicContact CB-CB 4.41Å; C177-L185 HydrophobicContact CB-CD2 4.25Å; C177-Y186 CarbonylContact C-O 3.5Å; C177-Y186 WeakPolarHBondContact CA-O 3.36Å; C177-K339 PolarHBondContact O-NZ 2.85Å; C177-K339 VanDerWaalsContact O-NZ 3.13Å
178	I	89	Confident	87.8	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.005	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	155.4	167.6	65.8	-173.2	0	0	0	108.5	A165 Y186 F188 I219 T245 V259	A165-I178 HydrophobicContact CB-CD1 3.76Å; I178-Y186 PolarHBondContact N-O 2.95Å; I178-Y186 PolarHBondContact O-N 3.5Å; I178-F188 HydrophobicContact CD1-CD1 4.02Å; I178-F188 HydrophobicContact CD1-CD2 3.93Å; I178-F188 HydrophobicContact CD1-CE1 3.63Å; I178-F188 HydrophobicContact CD1-CE2 3.54Å; I178-F188 HydrophobicContact CD1-CG 4.15Å; I178-F188 HydrophobicContact CD1-CZ 3.38Å; I178-F188 HydrophobicContact CG2-CD2 4.32Å; I178-F188 HydrophobicContact CG2-CE2 3.95Å; I178-I219 HydrophobicContact CG2-CD1 3.56Å; I178-T245 HydrophobicContact CG2-CG2 4.21Å; I178-V259 HydrophobicContact CD1-CB 4.11Å; I178-V259 HydrophobicContact CD1-CG1 3.7Å; I178-V259 HydrophobicContact CD1-CG2 4.08Å; I178-V259 HydrophobicContact CG1-CG1 4.05Å
179	R	87.9	Confident	87.9	Confident	70 Å²	70	45.4 Å²	45.4	26%	0.264	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	123.4	179.3	-162.3	172.5	-165.7	179.6	5	110.4	G183 Q184 D242 G260	R179-G183 PolarHBondContact NE-O 3.39Å; R179-Q184 WeakPolarHBondContact CA-O 3.38Å; R179-D242 IonicContact CZ-OD1 3.47Å; R179-D242 IonicContact NH1-OD1 2.67Å; R179-D242 PolarHBondContact NH1-OD1 3.05Å; R179-G260 WeakPolarHBondContact O-CA 3.12Å
180	G	88.6	Confident	88	Confident	4 Å²	4	44.8 Å²	44.8	4%	0.041	26%	0.258	C	S	.	.			trans	-76.8	170.7	176.9	0	0	0	0	0	112.7	D182 G183 Q184	G180-D182 PolarHBondContact O-N 3.36Å; G180-G183 PolarHBondContact O-N 2.85Å; G180-Q184 PolarHBondContact N-O 3.32Å
181	C	86.8	Confident	88.4	Confident	54 Å²	54	38.8 Å²	38.8	37%	0.365	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-20.9	178.1	63.9	0	0	0	0	113.7	E129 G183	E129-C181 WeakPolarHBondContact OE1-CB 3.47Å; E129-C181 PolarHBondContact OE1-N 2.73Å; E129-C181 PolarHBondContact OE1-SG 3.27Å; C181-G183 VanDerWaalsContact C-N 3.28Å
182	D	89.2	Confident	88.5	Confident	71 Å²	71	35.8 Å²	35.8	38%	0.38	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	1.7	173.6	70.6	-14.1	0	0	0	113.5	P130 G180 Q184 Y186	P130-D182 HydrophobicContact CG-CB 4.04Å; G180-D182 PolarHBondContact O-N 3.36Å; D182-Q184 VanDerWaalsContact C-N 3.26Å; D182-Q184 PolarHBondContact O-N 3.36Å; D182-Q184 WeakPolarHBondContact OD1-CB 3.41Å; D182-Q184 PolarHBondContact OD1-N 2.89Å; D182-Q184 WeakPolarHBondContact OD2-CG 3.07Å; D182-Y186 WeakPolarHBondContact OD1-CE2 3.38Å; D182-Y186 PolarHBondContact OD1-OH 3.36Å; D182-Y186 PolarHBondContact OD2-OH 2.65Å
183	G	85.6	Confident	88.6	Confident	30 Å²	30	35.2 Å²	35.2	31%	0.309	19%	0.193	S	C	.	.	S	Bend	trans	79.2	-0.7	-179.1	0	0	0	0	0	115	R179 G180 C181	R179-G183 PolarHBondContact NE-O 3.39Å; G180-G183 PolarHBondContact O-N 2.85Å; C181-G183 VanDerWaalsContact C-N 3.28Å
184	Q	89.8	Confident	88.9	Confident	79 Å²	79	32.6 Å²	32.6	37%	0.369	18%	0.175	S	C	.	.			trans	-77.6	168.4	176	-58.2	-65.3	-51.2	0	0	111.5	R179 G180 D182 Y186	R179-Q184 WeakPolarHBondContact CA-O 3.38Å; G180-Q184 PolarHBondContact N-O 3.32Å; D182-Q184 VanDerWaalsContact C-N 3.26Å; D182-Q184 PolarHBondContact O-N 3.36Å; D182-Q184 WeakPolarHBondContact OD1-CB 3.41Å; D182-Q184 PolarHBondContact OD1-N 2.89Å; D182-Q184 WeakPolarHBondContact OD2-CG 3.07Å; Q184-Y186 HydrophobicContact CB-CE2 3.79Å; Q184-Y186 WeakPolarHBondContact O-CD2 3.2Å
185	L	90.8	Very high	89.2	Confident	60 Å²	60	28.4 Å²	28.4	31%	0.314	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	136.4	177.3	-62.6	178.9	0	0	0	110.9	R167 C168 C177	R167-L185 WeakPolarHBondContact CA-O 3.1Å; C168-L185 PolarHBondContact N-O 3.35Å; C168-L185 VanDerWaalsContact SG-C 3.54Å; C177-L185 HydrophobicContact CB-CB 4.41Å; C177-L185 HydrophobicContact CB-CD2 4.25Å
186	Y	92.1	Very high	89.6	Confident	6 Å²	6	22.9 Å²	22.9	2%	0.024	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	162.8	178	-64.7	-97.7	0	0	0	110.3	E129 P130 A165 M166 R167 C177 I178 D182 Q184	E129-Y186 HydrophobicContact CB-CD1 3.65Å; E129-Y186 HydrophobicContact CB-CD2 4.39Å; E129-Y186 HydrophobicContact CB-CE1 3.65Å; E129-Y186 HydrophobicContact CB-CE2 4.33Å; E129-Y186 HydrophobicContact CB-CG 4.09Å; E129-Y186 HydrophobicContact CG-CD1 4.23Å; E129-Y186 HydrophobicContact CG-CD2 4.07Å; E129-Y186 HydrophobicContact CG-CE1 4.16Å; E129-Y186 HydrophobicContact CG-CE2 3.93Å; E129-Y186 HydrophobicContact CG-CG 4.23Å; E129-Y186 VanDerWaalsContact N-CE1 3.32Å; P130-Y186 VanDerWaalsContact CD-OH 3.26Å; P130-Y186 WeakPolarHBondContact CD-OH 3.35Å; A165-Y186 HydrophobicContact CB-CD1 4.33Å; A165-Y186 HydrophobicContact CB-CG 4.37Å; M166-Y186 CarbonylContact O-C 3.6Å; M166-Y186 WeakPolarHBondContact O-CA 3.04Å; M166-Y186 WeakPolarHBondContact O-CB 3.41Å; R167-Y186 HydrophobicContact CB-CD1 4.22Å; R167-Y186 HydrophobicContact CB-CE1 3.89Å; C177-Y186 CarbonylContact C-O 3.5Å; C177-Y186 WeakPolarHBondContact CA-O 3.36Å; I178-Y186 PolarHBondContact N-O 2.95Å; I178-Y186 PolarHBondContact O-N 3.5Å; D182-Y186 WeakPolarHBondContact OD1-CE2 3.38Å; D182-Y186 PolarHBondContact OD1-OH 3.36Å; D182-Y186 PolarHBondContact OD2-OH 2.65Å; Q184-Y186 HydrophobicContact CB-CE2 3.79Å; Q184-Y186 WeakPolarHBondContact O-CD2 3.2Å
187	R	90.7	Very high	89.7	Confident	15 Å²	15	25.2 Å²	25.2	6%	0.057	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	141.1	170.1	-169.4	172.5	-167.6	-168.8	-0.9	108.1	I111 A165 M166 C168 I189 P216 D218	I111-R187 PolarHBondContact O-NH1 2.9Å; A165-R187 WeakPolarHBondContact CA-O 3.4Å; M166-R187 PolarHBondContact N-O 2.89Å; M166-R187 PolarHBondContact O-N 2.66Å; C168-R187 HydrophobicContact CB-CB 4.45Å; R187-I189 HydrophobicContact CB-CD1 4.39Å; R187-I189 HydrophobicContact CG-CD1 4.26Å; R187-I189 PolarHBondContact O-N 2.72Å; R187-P216 HydrophobicContact CG-CB 4.42Å; R187-P216 VanDerWaalsContact NE-CB 3.25Å; R187-D218 IonicContact CZ-OD1 3.3Å; R187-D218 VanDerWaalsContact CZ-OD1 3.3Å; R187-D218 IonicContact NE-OD1 3.19Å; R187-D218 PolarHBondContact NE-OD1 3.38Å; R187-D218 IonicContact NH2-OD1 2.65Å; R187-D218 PolarHBondContact NH2-OD1 3.45Å; R187-D218 IonicContact NH2-OD2 2.96Å; R187-D218 PolarHBondContact NH2-OD2 2.86Å
188	F	91	Very high	89.5	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	123.5	172	-74.2	-60.1	0	0	0	109.2	I163 A165 I178 L217 I219 T245 V259 T337	I163-F188 HydrophobicContact CG2-CB 4.17Å; I163-F188 HydrophobicContact CG2-CD1 4.1Å; I163-F188 HydrophobicContact CG2-CG 4.47Å; A165-F188 HydrophobicContact CB-CD1 4.29Å; A165-F188 HydrophobicContact CB-CE1 4.23Å; I178-F188 HydrophobicContact CD1-CD1 4.02Å; I178-F188 HydrophobicContact CD1-CD2 3.93Å; I178-F188 HydrophobicContact CD1-CE1 3.63Å; I178-F188 HydrophobicContact CD1-CE2 3.54Å; I178-F188 HydrophobicContact CD1-CG 4.15Å; I178-F188 HydrophobicContact CD1-CZ 3.38Å; I178-F188 HydrophobicContact CG2-CD2 4.32Å; I178-F188 HydrophobicContact CG2-CE2 3.95Å; F188-L217 HydrophobicContact CB-CB 4.08Å; F188-L217 HydrophobicContact CB-CD1 4.43Å; F188-L217 PolarHBondContact O-N 3.29Å; F188-I219 HydrophobicContact CD2-CD1 4.27Å; F188-T245 HydrophobicContact CE2-CG2 4.04Å; F188-T245 HydrophobicContact CZ-CG2 4.21Å; F188-V259 HydrophobicContact CE1-CG2 3.92Å; F188-V259 HydrophobicContact CZ-CG2 3.96Å; F188-T337 HydrophobicContact CD2-CG2 4.37Å; F188-T337 HydrophobicContact CE2-CG2 3.94Å
189	I	92.4	Very high	88.8	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	125.8	177.7	-58.2	-54.9	0	0	0	107.7	F91 I111 L112 I163 I164 M166 R187 F191 C214 R215 P216	F91-I189 HydrophobicContact CE1-CD1 4.46Å; F91-I189 HydrophobicContact CE1-CG2 3.84Å; F91-I189 HydrophobicContact CZ-CG2 4.01Å; I111-I189 HydrophobicContact CG2-CD1 4.35Å; L112-I189 HydrophobicContact CD2-CD1 3.78Å; L112-I189 HydrophobicContact CD2-CG1 3.94Å; I163-I189 WeakPolarHBondContact CA-O 3.45Å; I164-I189 PolarHBondContact N-O 3.45Å; I164-I189 PolarHBondContact O-N 3.06Å; M166-I189 HydrophobicContact CB-CG1 3.85Å; M166-I189 HydrophobicContact CG-CB 4.17Å; M166-I189 HydrophobicContact CG-CG1 3.94Å; M166-I189 HydrophobicContact SD-CB 4.08Å; M166-I189 HydrophobicContact SD-CG1 3.94Å; M166-I189 HydrophobicContact SD-CG2 4.16Å; R187-I189 HydrophobicContact CB-CD1 4.39Å; R187-I189 HydrophobicContact CG-CD1 4.26Å; R187-I189 PolarHBondContact O-N 2.72Å; I189-F191 HydrophobicContact CB-CE2 4.06Å; I189-F191 HydrophobicContact CG2-CD2 4Å; I189-F191 HydrophobicContact CG2-CE2 3.69Å; I189-F191 HydrophobicContact CG2-CZ 4.44Å; I189-C214 HydrophobicContact CG2-CB 3.69Å; I189-R215 WeakPolarHBondContact CA-O 3.34Å; I189-P216 HydrophobicContact CD1-CB 4.04Å
190	E	91.3	Very high	87.7	Confident	2 Å²	2	29.6 Å²	29.6	1%	0.009	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	130.6	166.6	-176	-173.8	-145.8	0	0	108.9	N161 I163 C214 R215 L217 Y334	N161-E190 PolarHBondContact ND2-OE1 2.81Å; N161-E190 PolarHBondContact OD1-OE1 2.96Å; I163-E190 HydrophobicContact CG1-CB 4.04Å; I163-E190 HydrophobicContact CG1-CG 4.1Å; E190-C214 CarbonylContact O-C 3.53Å; E190-C214 WeakPolarHBondContact O-CA 3.21Å; E190-R215 HydrophobicContact CB-CG 4.21Å; E190-R215 PolarHBondContact N-O 2.77Å; E190-R215 PolarHBondContact O-N 2.96Å; E190-R215 IonicContact OE1-NH2 3.3Å; E190-R215 IonicContact OE2-CZ 3.78Å; E190-R215 IonicContact OE2-NE 2.81Å; E190-R215 PolarHBondContact OE2-NE 3.19Å; E190-R215 IonicContact OE2-NH2 3.31Å; E190-R215 PolarHBondContact OE2-NH2 3.05Å; E190-L217 HydrophobicContact CB-CD1 4.35Å; E190-L217 HydrophobicContact CB-CD2 4.19Å; E190-L217 HydrophobicContact CB-CG 4.25Å; E190-Y334 WeakPolarHBondContact OE1-CE1 3.24Å
191	F	93.2	Very high	86.1	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	123.8	170.3	-74.2	-111.1	0	0	0	108	I93 I124 N161 F162 I164 M166 I189 F210 C214	I93-F191 HydrophobicContact CD1-CE1 4.39Å; I93-F191 HydrophobicContact CG2-CD1 4.23Å; I93-F191 HydrophobicContact CG2-CE1 3.99Å; I124-F191 HydrophobicContact CD1-CE1 3.82Å; I124-F191 HydrophobicContact CD1-CZ 3.91Å; N161-F191 VanDerWaalsContact CA-O 3.27Å; N161-F191 WeakPolarHBondContact CA-O 3.46Å; F162-F191 HydrophobicContact CD1-CB 4.01Å; F162-F191 HydrophobicContact CD2-CB 4.02Å; F162-F191 HydrophobicContact CD2-CD2 4.18Å; F162-F191 HydrophobicContact CD2-CG 4.16Å; F162-F191 HydrophobicContact CE1-CB 3.67Å; F162-F191 HydrophobicContact CE1-CD1 4.49Å; F162-F191 HydrophobicContact CE1-CG 4.24Å; F162-F191 HydrophobicContact CE2-CB 3.7Å; F162-F191 AromaticContact CE2-CD1 3.93Å; F162-F191 HydrophobicContact CE2-CD1 3.93Å; F162-F191 AromaticContact CE2-CD2 3.71Å; F162-F191 HydrophobicContact CE2-CD2 3.71Å; F162-F191 HydrophobicContact CE2-CE1 4.49Å; F162-F191 HydrophobicContact CE2-CE2 4.32Å; F162-F191 AromaticContact CE2-CG 3.5Å; F162-F191 HydrophobicContact CE2-CG 3.5Å; F162-F191 HydrophobicContact CG-CB 4.18Å; F162-F191 HydrophobicContact CZ-CB 3.51Å; F162-F191 AromaticContact CZ-CD1 3.66Å; F162-F191 HydrophobicContact CZ-CD1 3.66Å; F162-F191 HydrophobicContact CZ-CD2 4.24Å; F162-F191 HydrophobicContact CZ-CE1 4.43Å; F162-F191 AromaticContact CZ-CG 3.55Å; F162-F191 HydrophobicContact CZ-CG 3.55Å; F162-F191 PolarHBondContact N-O 2.89Å; F162-F191 VanDerWaalsContact N-O 3.08Å; F162-F191 PolarHBondContact O-N 2.99Å; I164-F191 HydrophobicContact CD1-CD2 4.36Å; I164-F191 HydrophobicContact CD1-CE2 3.6Å; I164-F191 HydrophobicContact CD1-CZ 3.93Å; I164-F191 HydrophobicContact CG1-CD2 3.96Å; I164-F191 HydrophobicContact CG1-CE2 3.45Å; I164-F191 VanDerWaalsContact CG1-CE2 3.45Å; I164-F191 HydrophobicContact CG1-CZ 4.29Å; M166-F191 HydrophobicContact CE-CZ 4.29Å; M166-F191 HydrophobicContact CG-CE2 4.25Å; M166-F191 HydrophobicContact CG-CZ 4.41Å; M166-F191 HydrophobicContact SD-CE2 3.63Å; M166-F191 HydrophobicContact SD-CZ 3.4Å; M166-F191 WeakPolarHBondContact SD-CZ 3.49Å; I189-F191 HydrophobicContact CB-CE2 4.06Å; I189-F191 HydrophobicContact CG2-CD2 4Å; I189-F191 HydrophobicContact CG2-CE2 3.69Å; I189-F191 HydrophobicContact CG2-CZ 4.44Å; F191-F210 HydrophobicContact CB-CZ 4.11Å; F191-F210 AromaticContact CD1-CE1 3.86Å; F191-F210 HydrophobicContact CD1-CE1 3.86Å; F191-F210 HydrophobicContact CD1-CZ 4.25Å; F191-C214 WeakPolarHBondContact CD1-SG 3.35Å; F191-C214 WeakPolarHBondContact CE1-SG 3.18Å
192	C	90.8	Very high	84.6	Confident	22 Å²	22	40.6 Å²	40.6	15%	0.149	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	120.8	174.5	-171.1	0	0	0	0	108.8	G212 V213 M541	C192-G212 CarbonylContact O-C 3.6Å; C192-G212 WeakPolarHBondContact O-CA 3.4Å; C192-V213 PolarHBondContact N-O 3.26Å; C192-V213 PolarHBondContact O-N 2.98Å; C192-M541 HydrophobicContact CB-CE 4.43Å; C192-M541 WeakPolarHBondContact SG-CE 3.49Å
193	G	90.6	Very high	82.7	Confident	3 Å²	3	41.1 Å²	41.1	3%	0.031	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.3	-170.2	-173	0	0	0	0	0	114.8	R160 R211	R160-G193 PolarHBondContact N-O 3.09Å; R160-G193 PolarHBondContact O-N 3.45Å; G193-R211 CarbonylContact C-O 3.44Å; G193-R211 WeakPolarHBondContact CA-O 3.47Å
194	D	89.9	Confident	81.3	Confident	20 Å²	20	46.4 Å²	46.4	11%	0.107	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	154.6	176.6	62.8	8.9	0	0	0	111.5	L157 V158 F210 R211	L157-D194 HydrophobicContact CB-CB 4.16Å; L157-D194 WeakPolarHBondContact CD2-OD2 3.4Å; V158-D194 CarbonylContact O-C 3.55Å; V158-D194 WeakPolarHBondContact O-CA 3.1Å; D194-F210 CarbonylContact O-C 3.49Å; D194-F210 WeakPolarHBondContact O-CA 3.49Å; D194-R211 PolarHBondContact N-O 3.08Å; D194-R211 PolarHBondContact O-N 3.36Å; D194-R211 IonicContact OD1-CZ 2.77Å; D194-R211 IonicContact OD1-NE 3.68Å; D194-R211 PolarHBondContact OD1-NE 2.79Å; D194-R211 IonicContact OD1-NH2 3.11Å; D194-R211 PolarHBondContact OD1-NH2 2.77Å; D194-R211 IonicContact OD2-NH2 3.36Å; D194-R211 PolarHBondContact OD2-NH2 3.28Å; D194-R211 VanDerWaalsContact OD2-NH2 3.12Å
195	I	90.8	Very high	80.4	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	128.7	166.4	-57.9	176.1	0	0	0	108.3	F144 V158 R160 L209 F210	F144-I195 HydrophobicContact CD1-CD1 3.56Å; F144-I195 HydrophobicContact CD1-CG2 4.46Å; F144-I195 HydrophobicContact CE1-CB 4.46Å; F144-I195 HydrophobicContact CE1-CD1 3.61Å; F144-I195 HydrophobicContact CE1-CG2 3.58Å; F144-I195 HydrophobicContact CE2-CG2 4.4Å; F144-I195 HydrophobicContact CG-CD1 4.49Å; F144-I195 HydrophobicContact CZ-CD1 4.49Å; F144-I195 HydrophobicContact CZ-CG2 3.51Å; V158-I195 HydrophobicContact CB-CB 4.2Å; V158-I195 PolarHBondContact N-O 3.21Å; V158-I195 PolarHBondContact O-N 2.95Å; R160-I195 HydrophobicContact CG-CD1 3.74Å; R160-I195 HydrophobicContact CG-CG1 3.91Å; I195-L209 WeakPolarHBondContact CA-O 3.33Å; I195-F210 HydrophobicContact CG1-CB 4.41Å; I195-F210 HydrophobicContact CG1-CD2 4.34Å
196	V	87.7	Confident	79.9	Confident	14 Å²	14	47.7 Å²	47.7	9%	0.085	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	151.5	176.7	-62.8	0	0	0	0	111.7	L157 Y208 L209 R211	L157-V196 HydrophobicContact CD2-CG1 3.7Å; V196-Y208 WeakPolarHBondContact O-CA 3.36Å; V196-L209 HydrophobicContact CG2-CB 4.05Å; V196-L209 PolarHBondContact N-O 3.35Å; V196-L209 PolarHBondContact O-N 2.91Å; V196-R211 VanDerWaalsContact CG1-NH2 3.32Å; V196-R211 HydrophobicContact CG2-CG 4.22Å
197	Y	88.1	Confident	79.7	Confident	75 Å²	75	49.1 Å²	49.1	29%	0.294	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	119.3	171.5	-177.7	-113.3	0	0	0	110	A152 R153 N199 A206 Y208	A152-Y197 VanDerWaalsContact O-CB 3.32Å; A152-Y197 WeakPolarHBondContact O-CB 3.41Å; R153-Y197 HydrophobicContact CB-CD1 4.48Å; R153-Y197 HydrophobicContact CG-CD1 4.09Å; R153-Y197 HydrophobicContact CG-CD2 4.1Å; R153-Y197 HydrophobicContact CG-CE1 4.23Å; R153-Y197 HydrophobicContact CG-CE2 4.23Å; R153-Y197 HydrophobicContact CG-CG 4Å; Y197-N199 HydrophobicContact CE1-CB 4.5Å; Y197-A206 HydrophobicContact CE1-CB 4.3Å; Y197-A206 HydrophobicContact CE2-CB 3.61Å; Y197-A206 WeakPolarHBondContact OH-CB 3.5Å; Y197-Y208 AromaticContact CD2-CD1 3.82Å; Y197-Y208 HydrophobicContact CD2-CD1 3.82Å; Y197-Y208 AromaticContact CD2-CE1 3.4Å; Y197-Y208 HydrophobicContact CD2-CE1 3.4Å; Y197-Y208 VanDerWaalsContact CD2-CE1 3.4Å; Y197-Y208 HydrophobicContact CD2-CE2 4.27Å; Y197-Y208 HydrophobicContact CD2-CG 4.42Å; Y197-Y208 AromaticContact CD2-CZ 3.64Å; Y197-Y208 HydrophobicContact CE2-CE1 4.27Å; Y197-Y208 HydrophobicContact CE2-CE2 4.48Å; Y197-Y208 HydrophobicContact CG-CD1 4.45Å; Y197-Y208 HydrophobicContact CG-CE1 4.06Å
198	Q	82.5	Confident	79.7	Confident	44 Å²	44	49.7 Å²	49.7	21%	0.206	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	118.2	177.9	-170.6	65.5	41.9	0	0	109.6	V200 A206 Y207	Q198-V200 HydrophobicContact CG-CG2 4.2Å; Q198-A206 WeakPolarHBondContact O-CA 3.34Å; Q198-Y207 HydrophobicContact CB-CD2 4.43Å; Q198-Y207 HydrophobicContact CB-CE2 4.03Å; Q198-Y207 HydrophobicContact CG-CE2 4.43Å; Q198-Y207 PolarHBondContact N-O 3.32Å; Q198-Y207 PolarHBondContact O-N 2.88Å; Q198-Y207 VanDerWaalsContact O-N 3.12Å
199	N	74.8	Confident	79.8	Confident	90 Å²	90	49.9 Å²	49.9	48%	0.481	28%	0.277	S	S	.	.			trans	-98.4	113.4	166	-164.6	-1.3	0	0	0	108	Y197 N201	Y197-N199 HydrophobicContact CE1-CB 4.5Å; N199-N201 PolarHBondContact O-N 3.05Å
200	V	65.4	Low	79.8	Confident	32 Å²	32	49.9 Å²	49.9	19%	0.194	28%	0.277	C	S	.	.			trans	-85.7	109.4	176.6	-179	0	0	0	0	107	Q198 D202 C203 Y207	Q198-V200 HydrophobicContact CG-CG2 4.2Å; V200-D202 PolarHBondContact O-N 3.28Å; V200-C203 HydrophobicContact CG1-CB 4.45Å; V200-C203 PolarHBondContact O-N 2.73Å; V200-C203 VanDerWaalsContact O-N 3.16Å; V200-Y207 HydrophobicContact CG2-CE1 3.71Å
201	N	54.7	Low	79.8	Confident	145 Å²	145	51.7 Å²	51.7	78%	0.775	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-3	-172.8	-73.1	-26	0	0	0	115.3	N199	N199-N201 PolarHBondContact O-N 3.05Å
202	D	54.4	Low	79.7	Confident	144 Å²	144	52.3 Å²	52.3	77%	0.77	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.9	4.1	-179.3	-75.3	-41.7	0	0	0	114.9	V200	V200-D202 PolarHBondContact O-N 3.28Å
203	C	50.7	Low	79.7	Confident	82 Å²	82	52.5 Å²	52.5	55%	0.554	29%	0.29	S	S	*	.	S	Bend	trans	-146.5	129.8	176.7	-132.3	0	0	0	0	111.2	V200 E205	V200-C203 HydrophobicContact CG1-CB 4.45Å; V200-C203 PolarHBondContact O-N 2.73Å; V200-C203 VanDerWaalsContact O-N 3.16Å; C203-E205 PolarHBondContact O-N 2.69Å
204	S	56.7	Low	79.8	Confident	141 Å²	141	52.4 Å²	52.4	99%	0.986	29%	0.289	S	S	*	.	S	Bend	trans	-63.9	15	-167.7	-48.5	0	0	0	0	117.1
205	E	70.6	Confident	79.8	Confident	131 Å²	131	52.7 Å²	52.7	61%	0.612	29%	0.288	S	S	*	.			trans	-123.3	95.3	-177.4	-157.6	178.4	-137.9	0	0	110.5	K96 C203	K96-E205 IonicContact NZ-OE2 3.12Å; C203-E205 PolarHBondContact O-N 2.69Å
206	A	80.2	Confident	79.7	Confident	35 Å²	35	53.3 Å²	53.3	29%	0.289	29%	0.293	S	S	.	.			trans	-72.3	139.2	167.8	0	0	0	0	0	109.9	Y197 Q198	Y197-A206 HydrophobicContact CE1-CB 4.3Å; Y197-A206 HydrophobicContact CE2-CB 3.61Å; Y197-A206 WeakPolarHBondContact OH-CB 3.5Å; Q198-A206 WeakPolarHBondContact O-CA 3.34Å
207	Y	87.8	Confident	79.6	Confident	36 Å²	36	52.8 Å²	52.8	14%	0.141	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	164	-177.8	60.3	-92.5	0	0	0	111.5	K96 L103 Q198 V200 L209	K96-Y207 HydrophobicContact CG-CD2 4.17Å; K96-Y207 HydrophobicContact CG-CG 4.44Å; L103-Y207 HydrophobicContact CD1-CE2 4Å; Q198-Y207 HydrophobicContact CB-CD2 4.43Å; Q198-Y207 HydrophobicContact CB-CE2 4.03Å; Q198-Y207 HydrophobicContact CG-CE2 4.43Å; Q198-Y207 PolarHBondContact N-O 3.32Å; Q198-Y207 PolarHBondContact O-N 2.88Å; Q198-Y207 VanDerWaalsContact O-N 3.12Å; V200-Y207 HydrophobicContact CG2-CE1 3.71Å; Y207-L209 HydrophobicContact CD2-CB 4.36Å; Y207-L209 HydrophobicContact CE2-CB 4.15Å; Y207-L209 HydrophobicContact CE2-CD1 4.17Å
208	Y	91.1	Very high	78.8	Confident	28 Å²	28	52.2 Å²	52.2	11%	0.11	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	136.4	173.6	-60.8	-83.8	0	0	0	110	C97 F144 M149 A152 R153 V196 Y197	C97-Y208 PolarHBondContact N-O 3.01Å; F144-Y208 HydrophobicContact CE1-CG 4.32Å; F144-Y208 AromaticContact CE2-CD1 3.75Å; F144-Y208 HydrophobicContact CE2-CD1 3.75Å; F144-Y208 AromaticContact CE2-CE1 3.85Å; F144-Y208 HydrophobicContact CE2-CE1 3.85Å; F144-Y208 HydrophobicContact CE2-CG 4.1Å; F144-Y208 AromaticContact CZ-CD1 3.39Å; F144-Y208 HydrophobicContact CZ-CD1 3.39Å; F144-Y208 AromaticContact CZ-CD2 3.97Å; F144-Y208 HydrophobicContact CZ-CD2 3.97Å; F144-Y208 AromaticContact CZ-CE1 3.97Å; F144-Y208 HydrophobicContact CZ-CE1 3.97Å; F144-Y208 AromaticContact CZ-CG 3.38Å; F144-Y208 HydrophobicContact CZ-CG 3.38Å; M149-Y208 HydrophobicContact CE-CE2 3.37Å; M149-Y208 WeakPolarHBondContact CE-OH 3.36Å; M149-Y208 HydrophobicContact CG-CE1 4.13Å; M149-Y208 HydrophobicContact CG-CE2 4.16Å; M149-Y208 WeakPolarHBondContact CG-OH 3.36Å; A152-Y208 HydrophobicContact CB-CD1 4.23Å; A152-Y208 HydrophobicContact CB-CE1 4Å; R153-Y208 HydrophobicContact CG-CE1 4.42Å; R153-Y208 PolarHBondContact NE-OH 3.3Å; V196-Y208 WeakPolarHBondContact O-CA 3.36Å; Y197-Y208 AromaticContact CD2-CD1 3.82Å; Y197-Y208 HydrophobicContact CD2-CD1 3.82Å; Y197-Y208 AromaticContact CD2-CE1 3.4Å; Y197-Y208 HydrophobicContact CD2-CE1 3.4Å; Y197-Y208 VanDerWaalsContact CD2-CE1 3.4Å; Y197-Y208 HydrophobicContact CD2-CE2 4.27Å; Y197-Y208 HydrophobicContact CD2-CG 4.42Å; Y197-Y208 AromaticContact CD2-CZ 3.64Å; Y197-Y208 HydrophobicContact CE2-CE1 4.27Å; Y197-Y208 HydrophobicContact CE2-CE2 4.48Å; Y197-Y208 HydrophobicContact CG-CD1 4.45Å; Y197-Y208 HydrophobicContact CG-CE1 4.06Å
209	L	91.5	Very high	77.8	Confident	3 Å²	3	50.8 Å²	50.8	2%	0.016	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	119.2	-173.5	-173.2	65.2	0	0	0	108.3	H94 L103 I195 V196 Y207 R211	H94-L209 HydrophobicContact CB-CD1 3.84Å; H94-L209 HydrophobicContact CB-CD2 4.27Å; H94-L209 HydrophobicContact CB-CG 4.22Å; L103-L209 HydrophobicContact CD1-CD1 3.84Å; I195-L209 WeakPolarHBondContact CA-O 3.33Å; V196-L209 HydrophobicContact CG2-CB 4.05Å; V196-L209 PolarHBondContact N-O 3.35Å; V196-L209 PolarHBondContact O-N 2.91Å; Y207-L209 HydrophobicContact CD2-CB 4.36Å; Y207-L209 HydrophobicContact CE2-CB 4.15Å; Y207-L209 HydrophobicContact CE2-CD1 4.17Å; L209-R211 HydrophobicContact CD2-CG 3.71Å; L209-R211 HydrophobicContact CG-CG 3.78Å
210	F	93.8	Very high	76.6	Confident	1 Å²	1	48.5 Å²	48.5	0%	0.004	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	126.5	161.5	171.1	-94.5	0	0	0	107.9	I93 H94 V95 C97 L142 R160 F162 F191 D194 I195	I93-F210 HydrophobicContact CG2-CE1 4.12Å; H94-F210 CarbonylContact C-O 3.52Å; H94-F210 VanDerWaalsContact CA-O 3.28Å; H94-F210 WeakPolarHBondContact CA-O 3.36Å; V95-F210 HydrophobicContact CB-CB 4.38Å; V95-F210 HydrophobicContact CB-CD1 4.41Å; V95-F210 HydrophobicContact CG2-CD1 4.39Å; V95-F210 PolarHBondContact N-O 2.93Å; V95-F210 PolarHBondContact O-N 2.84Å; C97-F210 PolarHBondContact SG-N 3.16Å; C97-F210 VanDerWaalsContact SG-N 3.41Å; L142-F210 HydrophobicContact CD2-CB 3.72Å; L142-F210 HydrophobicContact CD2-CD2 4.42Å; L142-F210 HydrophobicContact CD2-CG 4.03Å; R160-F210 HydrophobicContact CB-CD2 4.24Å; R160-F210 HydrophobicContact CB-CE2 3.95Å; F162-F210 HydrophobicContact CE1-CE2 4.09Å; F162-F210 HydrophobicContact CE1-CZ 4.16Å; F191-F210 HydrophobicContact CB-CZ 4.11Å; F191-F210 AromaticContact CD1-CE1 3.86Å; F191-F210 HydrophobicContact CD1-CE1 3.86Å; F191-F210 HydrophobicContact CD1-CZ 4.25Å; D194-F210 CarbonylContact O-C 3.49Å; D194-F210 WeakPolarHBondContact O-CA 3.49Å; I195-F210 HydrophobicContact CG1-CB 4.41Å; I195-F210 HydrophobicContact CG1-CD2 4.34Å
211	R	90.9	Very high	75.2	Confident	40 Å²	40	48.8 Å²	48.8	15%	0.151	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	125.9	172.4	-51.7	175.8	-58.3	171.1	11.6	107.4	G193 D194 V196 L209 N535	G193-R211 CarbonylContact C-O 3.44Å; G193-R211 WeakPolarHBondContact CA-O 3.47Å; D194-R211 PolarHBondContact N-O 3.08Å; D194-R211 PolarHBondContact O-N 3.36Å; D194-R211 IonicContact OD1-CZ 2.77Å; D194-R211 IonicContact OD1-NE 3.68Å; D194-R211 PolarHBondContact OD1-NE 2.79Å; D194-R211 IonicContact OD1-NH2 3.11Å; D194-R211 PolarHBondContact OD1-NH2 2.77Å; D194-R211 IonicContact OD2-NH2 3.36Å; D194-R211 PolarHBondContact OD2-NH2 3.28Å; D194-R211 VanDerWaalsContact OD2-NH2 3.12Å; V196-R211 VanDerWaalsContact CG1-NH2 3.32Å; V196-R211 HydrophobicContact CG2-CG 4.22Å; L209-R211 HydrophobicContact CD2-CG 3.71Å; L209-R211 HydrophobicContact CG-CG 3.78Å; R211-N535 PolarHBondContact NH2-O 3.28Å
212	G	90.4	Very high	74.4	Confident	13 Å²	13	48 Å²	48	13%	0.134	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	168.9	-175.7	0	0	0	0	0	113.1	I93 C192	I93-G212 PolarHBondContact N-O 2.83Å; I93-G212 PolarHBondContact O-N 3.14Å; I93-G212 VanDerWaalsContact O-N 3.09Å; C192-G212 CarbonylContact O-C 3.6Å; C192-G212 WeakPolarHBondContact O-CA 3.4Å
213	V	91.4	Very high	73.3	Confident	26 Å²	26	46 Å²	46	16%	0.158	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	138.5	168.9	-158	0	0	0	0	108	I85 I88 C192	I85-V213 HydrophobicContact CG1-CG1 3.94Å; I88-V213 HydrophobicContact CD1-CB 4.05Å; I88-V213 HydrophobicContact CD1-CG1 3.34Å; I88-V213 HydrophobicContact CG1-CG1 4.28Å; C192-V213 PolarHBondContact N-O 3.26Å; C192-V213 PolarHBondContact O-N 2.98Å
214	C	92.5	Very high	72.4	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	136.4	-177.4	-62.2	0	0	0	0	109.3	G90 F91 I93 I189 E190 F191	G90-C214 CarbonylContact C-O 3.56Å; G90-C214 WeakPolarHBondContact CA-O 2.97Å; F91-C214 HydrophobicContact CD1-CB 3.66Å; F91-C214 HydrophobicContact CD2-CB 3.8Å; F91-C214 HydrophobicContact CE1-CB 3.33Å; F91-C214 HydrophobicContact CE2-CB 3.47Å; F91-C214 VanDerWaalsContact CE2-CB 3.47Å; F91-C214 HydrophobicContact CG-CB 3.89Å; F91-C214 HydrophobicContact CZ-CB 3.23Å; F91-C214 PolarHBondContact N-O 3.47Å; F91-C214 PolarHBondContact O-N 3.49Å; I93-C214 WeakPolarHBondContact CG2-SG 3.41Å; I189-C214 HydrophobicContact CG2-CB 3.69Å; E190-C214 CarbonylContact O-C 3.53Å; E190-C214 WeakPolarHBondContact O-CA 3.21Å; F191-C214 WeakPolarHBondContact CD1-SG 3.35Å; F191-C214 WeakPolarHBondContact CE1-SG 3.18Å
215	R	89.3	Confident	71.1	Confident	26 Å²	26	44.5 Å²	44.5	10%	0.098	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	147.2	176.6	68	179.7	-174	92.2	8.2	111.4	I88 I189 E190 L329 Y334	I88-R215 HydrophobicContact CD1-CB 4.21Å; I189-R215 WeakPolarHBondContact CA-O 3.34Å; E190-R215 HydrophobicContact CB-CG 4.21Å; E190-R215 PolarHBondContact N-O 2.77Å; E190-R215 PolarHBondContact O-N 2.96Å; E190-R215 IonicContact OE1-NH2 3.3Å; E190-R215 IonicContact OE2-CZ 3.78Å; E190-R215 IonicContact OE2-NE 2.81Å; E190-R215 PolarHBondContact OE2-NE 3.19Å; E190-R215 IonicContact OE2-NH2 3.31Å; E190-R215 PolarHBondContact OE2-NH2 3.05Å; R215-L329 VanDerWaalsContact NH1-CD1 3.3Å; R215-Y334 VanDerWaalsContact NH2-CZ 3.26Å; R215-Y334 PolarHBondContact NH2-OH 2.88Å
216	P	89.7	Confident	69.3	Low	13 Å²	13	43.7 Å²	43.7	8%	0.084	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	141.9	175.4	30.4	-32.6	0	0	0	111.4	N89 I111 R187 I189	N89-P216 VanDerWaalsContact O-CD 3.24Å; N89-P216 WeakPolarHBondContact O-CD 3.5Å; I111-P216 HydrophobicContact CG2-CB 4.1Å; I111-P216 HydrophobicContact CG2-CG 3.87Å; R187-P216 HydrophobicContact CG-CB 4.42Å; R187-P216 VanDerWaalsContact NE-CB 3.25Å; I189-P216 HydrophobicContact CD1-CB 4.04Å
217	L	84.6	Confident	66.9	Low	3 Å²	3	49.5 Å²	49.5	2%	0.016	29%	0.288	C	S	.	.			trans	-98.7	101.1	167.4	-61.5	-178.6	0	0	0	108.2	I163 F188 E190 I327	I163-L217 HydrophobicContact CB-CD1 4.42Å; I163-L217 HydrophobicContact CD1-CD1 3.53Å; I163-L217 HydrophobicContact CG1-CD1 3.81Å; I163-L217 HydrophobicContact CG2-CD1 3.71Å; F188-L217 HydrophobicContact CB-CB 4.08Å; F188-L217 HydrophobicContact CB-CD1 4.43Å; F188-L217 PolarHBondContact O-N 3.29Å; E190-L217 HydrophobicContact CB-CD1 4.35Å; E190-L217 HydrophobicContact CB-CD2 4.19Å; E190-L217 HydrophobicContact CB-CG 4.25Å; L217-I327 HydrophobicContact CB-CD1 4.21Å; L217-I327 HydrophobicContact CB-CG2 4.01Å; L217-I327 HydrophobicContact CD1-CG2 4.42Å; L217-I327 HydrophobicContact CD2-CG2 4.22Å; L217-I327 HydrophobicContact CG-CG2 4.46Å
218	D	71.9	Confident	64.3	Low	63 Å²	63	53.1 Å²	53.1	34%	0.337	32%	0.318	S	S	.	.			trans	-78.3	125.7	-179.8	-78.9	-32.4	0	0	0	112.1	H176 R187 A220	H176-D218 IonicContact CE1-OD1 3.64Å; H176-D218 IonicContact CE1-OD2 3.89Å; H176-D218 IonicContact CG-OD1 3.35Å; H176-D218 IonicContact ND1-OD1 2.83Å; H176-D218 PolarHBondContact ND1-OD1 3.12Å; H176-D218 IonicContact ND1-OD2 3.82Å; R187-D218 IonicContact CZ-OD1 3.3Å; R187-D218 VanDerWaalsContact CZ-OD1 3.3Å; R187-D218 IonicContact NE-OD1 3.19Å; R187-D218 PolarHBondContact NE-OD1 3.38Å; R187-D218 IonicContact NH2-OD1 2.65Å; R187-D218 PolarHBondContact NH2-OD1 3.45Å; R187-D218 IonicContact NH2-OD2 2.96Å; R187-D218 PolarHBondContact NH2-OD2 2.86Å; D218-A220 PolarHBondContact O-N 3.25Å
219	I	61	Low	61.7	Low	14 Å²	14	59.8 Å²	59.8	7%	0.072	35%	0.348	C	S	.	.	S	Bend	trans	-77.2	24.1	-177.8	-50.7	165.1	0	0	0	110.5	I178 F188 T325 I327	I178-I219 HydrophobicContact CG2-CD1 3.56Å; F188-I219 HydrophobicContact CD2-CD1 4.27Å; I219-T325 HydrophobicContact CG2-CG2 3.89Å; I219-T325 WeakPolarHBondContact O-CG2 3.48Å; I219-I327 HydrophobicContact CG1-CD1 4.42Å
220	A	50.7	Low	58.6	Low	42 Å²	42	68.5 Å²	68.5	35%	0.347	39%	0.389	S	S	.	.			trans	-127.9	103.1	-174.9	0	0	0	0	0	110.4	D218 P222	D218-A220 PolarHBondContact O-N 3.25Å; A220-P222 WeakPolarHBondContact O-CD 3.28Å
221	C	36.4	Very low	55.4	Low	39 Å²	39	76.9 Å²	76.9	26%	0.264	43%	0.425	S	S	.	.			trans	-65.5	126.4	164	-153.6	0	0	0	0	108.5	T223	C221-T223 PolarHBondContact O-N 3.31Å; C221-T223 VanDerWaalsContact O-N 3.13Å; C221-T223 PolarHBondContact SG-OG1 2.86Å
222	P	36	Very low	52.4	Low	129 Å²	129	80.7 Å²	80.7	84%	0.838	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	4.2	179.7	-17.1	30.5	0	0	0	115.3	A220	A220-P222 WeakPolarHBondContact O-CD 3.28Å
223	T	32.1	Very low	49.4	Very low	102 Å²	102	86.3 Å²	86.3	63%	0.626	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	2.3	-165	42.8	0	0	0	0	115.9	C221	C221-T223 PolarHBondContact O-N 3.31Å; C221-T223 VanDerWaalsContact O-N 3.13Å; C221-T223 PolarHBondContact SG-OG1 2.86Å
224	V	32.1	Very low	46.4	Very low	89 Å²	89	88.1 Å²	88.1	54%	0.539	50%	0.501	S	S	.	.	S	Bend	trans	-108.8	116	171.6	-174	0	0	0	0	109.4	D226	V224-D226 PolarHBondContact O-N 3.07Å; V224-D226 VanDerWaalsContact O-N 3.14Å
225	P	29.4	Very low	43.3	Very low	101 Å²	101	99.7 Å²	99.7	66%	0.656	55%	0.545	S	S	*	.			trans	-58.8	119	172.6	-17.5	28.9	0	0	0	109.6	N227	P225-N227 VanDerWaalsContact C-N 3.25Å; P225-N227 PolarHBondContact O-N 2.91Å
226	D	31.7	Very low	40.4	Very low	114 Å²	114	105.6 Å²	105.6	61%	0.61	58%	0.578	S	S	*	*			trans	-60.6	82.7	171.4	-100.6	-26.4	0	0	0	110.1	V224 F229	V224-D226 PolarHBondContact O-N 3.07Å; V224-D226 VanDerWaalsContact O-N 3.14Å; D226-F229 WeakPolarHBondContact OD1-CD2 3.48Å
227	N	31	Very low	37.6	Very low	157 Å²	157	113.8 Å²	113.8	84%	0.84	61%	0.612	S	S	*	*			trans	-109.1	9.4	171.2	-79.5	-16.9	0	0	0	112.8	P225	P225-N227 VanDerWaalsContact C-N 3.25Å; P225-N227 PolarHBondContact O-N 2.91Å
228	S	32.8	Very low	35	Very low	112 Å²	112	119.2 Å²	119.2	78%	0.783	65%	0.646	S	S	*	*			trans	-139.3	23.1	179.4	69.9	0	0	0	0	115.6
229	F	35.6	Very low	33.3	Very low	169 Å²	169	122 Å²	122	74%	0.741	66%	0.659	S	S	*	*			trans	-92.9	95.3	159.6	-91.7	-85.5	0	0	0	108.7	D226 K231	D226-F229 WeakPolarHBondContact OD1-CD2 3.48Å; F229-K231 PolarHBondContact O-N 2.79Å
230	E	27.2	Very low	32.6	Very low	185 Å²	185	127.7 Å²	127.7	86%	0.864	69%	0.69	S	S	*	*			trans	-49.1	116.3	162.3	-78	-174.4	157.9	0	0	108.3
231	K	26.2	Very low	32.9	Very low	177 Å²	177	127.7 Å²	127.7	77%	0.77	69%	0.687	S	S	*	*			trans	-41.5	125.8	165	-149.1	174.7	-168.6	174.9	0	106.9	F229 T233	F229-K231 PolarHBondContact O-N 2.79Å; K231-T233 PolarHBondContact O-N 3.44Å; K231-T233 PolarHBondContact O-OG1 2.7Å
232	P	28.4	Very low	34.9	Very low	120 Å²	120	130 Å²	130	78%	0.779	70%	0.697	S	S	*	*			trans	-70	81.8	-177.4	26.3	-31.5	0	0	0	109.4	S234	P232-S234 PolarHBondContact O-N 3.18Å
233	T	26.5	Very low	37.3	Very low	132 Å²	132	125.1 Å²	125.1	81%	0.81	66%	0.663	S	S	*	*			trans	-79.4	58.1	169	43	0	0	0	0	109.2	K231	K231-T233 PolarHBondContact O-N 3.44Å; K231-T233 PolarHBondContact O-OG1 2.7Å
234	S	29.9	Very low	40.1	Very low	64 Å²	64	120.2 Å²	120.2	45%	0.448	63%	0.633	S	S	.	*	S	Bend	trans	-172.1	111.8	156.1	59.2	0	0	0	0	107.6	P232 N236	P232-S234 PolarHBondContact O-N 3.18Å; S234-N236 PolarHBondContact O-N 2.59Å; S234-N236 VanDerWaalsContact O-N 3.1Å
235	R	27.4	Very low	43	Very low	243 Å²	243	116 Å²	116	92%	0.917	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-46.5	119.9	153.3	-94.5	174.8	164.2	169.1	-5.4	106.2
236	N	27.7	Very low	46	Very low	150 Å²	150	111.2 Å²	111.2	80%	0.802	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	103.4	28.4	173.5	-48.1	-22.3	0	0	0	119.7	S234	S234-N236 PolarHBondContact O-N 2.59Å; S234-N236 VanDerWaalsContact O-N 3.1Å
237	K	30	Very low	48.9	Very low	184 Å²	184	107.2 Å²	107.2	80%	0.8	55%	0.553	S	S	*	*			trans	-109.6	74.2	152.7	-87.8	-176.5	178	177.8	0	110.5	I239	K237-I239 PolarHBondContact O-N 2.96Å
238	T	30.1	Very low	51.8	Low	118 Å²	118	99.7 Å²	99.7	72%	0.724	51%	0.513	S	S	*	.			trans	-52.5	127.6	159.6	-19.6	0	0	0	0	107.2	N240	T238-N240 PolarHBondContact O-N 3.41Å
239	I	37.6	Very low	54.5	Low	121 Å²	121	95 Å²	95	62%	0.621	48%	0.482	S	S	*	.			trans	-63.7	90.9	173.9	-62.2	168.8	0	0	0	106.6	K237 S241	K237-I239 PolarHBondContact O-N 2.96Å; I239-S241 VanDerWaalsContact C-N 3.27Å
240	N	45.5	Very low	56.8	Low	133 Å²	133	88.5 Å²	88.5	71%	0.711	46%	0.456	S	S	*	.			trans	-92.1	13.6	-175.2	-135.2	29.4	0	0	0	111.6	T238 D242	T238-N240 PolarHBondContact O-N 3.41Å; N240-D242 PolarHBondContact O-N 2.77Å
241	S	57.8	Low	59.4	Low	42 Å²	42	86.8 Å²	86.8	29%	0.294	45%	0.453	S	S	.	.			trans	-81.1	103.3	175.9	60.9	0	0	0	0	109	I239 H243 Y341	I239-S241 VanDerWaalsContact C-N 3.27Å; S241-H243 PolarHBondContact O-N 2.91Å; S241-H243 PolarHBondContact O-ND1 2.92Å; S241-Y341 WeakPolarHBondContact OG-CD1 3.5Å
242	D	77.3	Confident	62.3	Low	88 Å²	88	82 Å²	82	47%	0.471	44%	0.438	S	S	.	.			trans	-52.8	130.4	164.8	-80	-20.8	0	0	0	109.4	R179 N240 I265	R179-D242 IonicContact CZ-OD1 3.47Å; R179-D242 IonicContact NH1-OD1 2.67Å; R179-D242 PolarHBondContact NH1-OD1 3.05Å; N240-D242 PolarHBondContact O-N 2.77Å; D242-I265 HydrophobicContact CB-CD1 3.72Å; D242-I265 HydrophobicContact CB-CG1 4.37Å
243	H	86.9	Confident	65.2	Low	26 Å²	26	80 Å²	80	12%	0.12	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	156.1	178.9	63.3	-82.1	0	0	0	110.3	S241 L340 Y341	S241-H243 PolarHBondContact O-N 2.91Å; S241-H243 PolarHBondContact O-ND1 2.92Å; H243-L340 WeakPolarHBondContact CA-O 3.49Å; H243-L340 VanDerWaalsContact CB-O 3.26Å; H243-L340 WeakPolarHBondContact CB-O 3.46Å; H243-Y341 HydrophobicContact CB-CD1 3.64Å; H243-Y341 HydrophobicContact CB-CE1 3.76Å; H243-Y341 HydrophobicContact CB-CG 4.17Å; H243-Y341 AromaticContact CG-CE1 3.85Å; H243-Y341 AromaticContact ND1-CE1 3.96Å
244	V	91.2	Very high	68.4	Low	0 Å²	0	74.3 Å²	74.3	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	137.1	169.5	166.9	0	0	0	0	107.9	L246 V258 N261 I265 L266 L340	V244-L246 HydrophobicContact CG1-CD2 3.91Å; V244-V258 HydrophobicContact CG1-CG1 3.82Å; V244-N261 VanDerWaalsContact CG2-C 3.45Å; V244-N261 WeakPolarHBondContact CG2-O 3.15Å; V244-I265 HydrophobicContact CG2-CB 4.2Å; V244-I265 HydrophobicContact CG2-CD1 3.81Å; V244-I265 HydrophobicContact CG2-CG1 4.39Å; V244-L266 HydrophobicContact CB-CD1 4.18Å; V244-L266 HydrophobicContact CB-CG 4.48Å; V244-L266 HydrophobicContact CG1-CD1 3.86Å; V244-L340 PolarHBondContact N-O 2.81Å; V244-L340 VanDerWaalsContact N-O 3.11Å; V244-L340 PolarHBondContact O-N 2.8Å
245	T	92.1	Very high	71.4	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	123.8	176.7	-52.7	0	0	0	0	109.1	I178 F188 V259 C338 K339	I178-T245 HydrophobicContact CG2-CG2 4.21Å; F188-T245 HydrophobicContact CE2-CG2 4.04Å; F188-T245 HydrophobicContact CZ-CG2 4.21Å; T245-V259 PolarHBondContact N-O 2.89Å; T245-V259 PolarHBondContact O-N 3.27Å; T245-C338 WeakPolarHBondContact CA-O 3.49Å; T245-K339 HydrophobicContact CG2-CG 4.1Å
246	L	94.1	Very high	74.4	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	133.5	171.9	-49.2	178.9	0	0	0	108.6	V244 I255 E257 V258 L273 V278 W309 T337 C338 L340	V244-L246 HydrophobicContact CG1-CD2 3.91Å; L246-I255 HydrophobicContact CB-CG2 4.34Å; L246-I255 HydrophobicContact CD1-CD1 3.99Å; L246-I255 HydrophobicContact CD1-CG1 4.4Å; L246-I255 HydrophobicContact CD2-CG2 4.36Å; L246-E257 CarbonylContact C-O 3.44Å; L246-E257 WeakPolarHBondContact CA-O 3.42Å; L246-V258 HydrophobicContact CD2-CB 4.29Å; L246-V258 HydrophobicContact CD2-CG1 3.91Å; L246-V258 HydrophobicContact CD2-CG2 3.84Å; L246-L273 HydrophobicContact CD2-CD1 4.37Å; L246-V278 HydrophobicContact CD1-CG2 4.46Å; L246-W309 HydrophobicContact CD1-CH2 4.13Å; L246-W309 HydrophobicContact CD1-CZ3 4.49Å; L246-T337 CarbonylContact O-C 3.56Å; L246-T337 VanDerWaalsContact O-CA 3.28Å; L246-T337 WeakPolarHBondContact O-CA 3.29Å; L246-C338 HydrophobicContact CB-CB 4.25Å; L246-C338 PolarHBondContact N-O 3.36Å; L246-C338 PolarHBondContact O-N 3.41Å; L246-L340 HydrophobicContact CD1-CD1 3.74Å; L246-L340 HydrophobicContact CG-CD1 4.18Å
247	R	91.6	Very high	77.4	Confident	30 Å²	30	54.3 Å²	54.3	11%	0.113	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	129.3	165.3	-171.7	165.8	58.5	104.9	-7.9	108.5	I163 I255 T256 E257 C335	I163-R247 PolarHBondContact O-NH2 2.9Å; R247-I255 CarbonylContact O-C 3.57Å; R247-I255 WeakPolarHBondContact O-CA 3.43Å; R247-T256 PolarHBondContact O-N 3.08Å; R247-T256 PolarHBondContact O-OG1 3.32Å; R247-E257 HydrophobicContact CB-CB 4Å; R247-E257 IonicContact CZ-OE2 3.57Å; R247-E257 VanDerWaalsContact CZ-OE2 3.26Å; R247-E257 PolarHBondContact N-O 3.15Å; R247-E257 IonicContact NE-OE2 3.96Å; R247-E257 PolarHBondContact NE-OE2 2.79Å; R247-E257 IonicContact NH2-OE2 3.57Å; R247-E257 PolarHBondContact NH2-OE2 2.87Å; R247-E257 PolarHBondContact O-N 3.46Å; R247-C335 HydrophobicContact CG-CB 3.86Å
248	I	93	Very high	80.3	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	128	-174.2	-57.6	168.7	0	0	0	108	F253 S254 V278 F324 C335 I336 C338	I248-F253 HydrophobicContact CG2-CB 4.34Å; I248-F253 HydrophobicContact CG2-CD1 4.47Å; I248-S254 WeakPolarHBondContact CA-O 3.25Å; I248-V278 HydrophobicContact CD1-CG2 3.67Å; I248-V278 HydrophobicContact CG1-CG2 4.23Å; I248-F324 HydrophobicContact CD1-CD1 4.21Å; I248-F324 HydrophobicContact CD1-CE1 3.92Å; I248-C335 WeakPolarHBondContact O-CB 3.4Å; I248-I336 HydrophobicContact CB-CB 4.2Å; I248-I336 WeakPolarHBondContact CB-O 3.46Å; I248-I336 HydrophobicContact CD1-CG2 4.37Å; I248-I336 PolarHBondContact N-O 3.18Å; I248-I336 PolarHBondContact O-N 3.36Å; I248-C338 HydrophobicContact CD1-CB 3.98Å
249	G	88.7	Confident	83.1	Confident	13 Å²	13	40 Å²	40	13%	0.134	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	143.1	177.2	0	0	0	0	0	111.8	F253 S254	G249-F253 WeakPolarHBondContact O-CA 3.33Å; G249-F253 PolarHBondContact O-N 2.97Å; G249-S254 PolarHBondContact N-O 3.32Å
250	V	83.5	Confident	85.5	Confident	32 Å²	32	34.7 Å²	34.7	19%	0.194	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-30	-174	-64.5	0	0	0	0	114.2	L333 Y334	V250-L333 HydrophobicContact CB-CD2 4.27Å; V250-L333 HydrophobicContact CG1-CB 4.31Å; V250-L333 HydrophobicContact CG1-CD2 3.74Å; V250-L333 HydrophobicContact CG1-CG 3.6Å; V250-L333 WeakPolarHBondContact CG1-O 3.36Å; V250-Y334 VanDerWaalsContact CG1-C 3.42Å; V250-Y334 VanDerWaalsContact CG1-O 3.27Å; V250-Y334 WeakPolarHBondContact CG1-O 3.39Å
251	N	81.8	Confident	87.4	Confident	150 Å²	150	31.6 Å²	31.6	80%	0.802	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-40.3	-176.2	-63.3	-28.4	0	0	0	111.7
252	T	87.6	Confident	88.8	Confident	75 Å²	75	29.9 Å²	29.9	46%	0.46	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-21.2	-175.3	54.7	0	0	0	0	112.5	S254 H277	T252-S254 WeakPolarHBondContact CB-OG 3.29Å; T252-S254 PolarHBondContact O-N 3.24Å; T252-S254 PolarHBondContact OG1-N 3.35Å; T252-S254 PolarHBondContact OG1-OG 3.07Å; T252-H277 PolarHBondContact O-CE1 2.85Å
253	F	89	Confident	89.3	Confident	78 Å²	78	30.7 Å²	30.7	34%	0.342	17%	0.166	S	C	.	.			trans	51.7	22	-165.3	-58.1	-69.1	0	0	0	113.9	I248 G249 H277 I294 V298 I336	I248-F253 HydrophobicContact CG2-CB 4.34Å; I248-F253 HydrophobicContact CG2-CD1 4.47Å; G249-F253 WeakPolarHBondContact O-CA 3.33Å; G249-F253 PolarHBondContact O-N 2.97Å; F253-H277 PolarHBondContact O-ND1 3.06Å; F253-I294 HydrophobicContact CD1-CG2 3.55Å; F253-I294 HydrophobicContact CE1-CG2 3.62Å; F253-I294 HydrophobicContact CG-CG2 4.39Å; F253-V298 HydrophobicContact CE1-CG2 4.33Å; F253-I336 HydrophobicContact CD1-CD1 4.47Å; F253-I336 HydrophobicContact CE1-CD1 4.19Å
254	S	93.3	Very high	89.2	Confident	13 Å²	13	33.9 Å²	33.9	9%	0.091	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-89.2	152.3	174.7	65.4	0	0	0	0	110.7	I248 G249 T252 T256 K276	I248-S254 WeakPolarHBondContact CA-O 3.25Å; G249-S254 PolarHBondContact N-O 3.32Å; T252-S254 WeakPolarHBondContact CB-OG 3.29Å; T252-S254 PolarHBondContact O-N 3.24Å; T252-S254 PolarHBondContact OG1-N 3.35Å; T252-S254 PolarHBondContact OG1-OG 3.07Å; S254-T256 PolarHBondContact O-N 3.33Å; S254-K276 CarbonylContact C-O 3.51Å; S254-K276 WeakPolarHBondContact CA-O 3.33Å
255	I	93.4	Very high	88.9	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	114.2	177	-60.4	163.3	0	0	0	108.6	L246 R247 V258 L273 L274 D275 K276 V278 F281	L246-I255 HydrophobicContact CB-CG2 4.34Å; L246-I255 HydrophobicContact CD1-CD1 3.99Å; L246-I255 HydrophobicContact CD1-CG1 4.4Å; L246-I255 HydrophobicContact CD2-CG2 4.36Å; R247-I255 CarbonylContact O-C 3.57Å; R247-I255 WeakPolarHBondContact O-CA 3.43Å; I255-V258 HydrophobicContact CG2-CG2 3.71Å; I255-L273 HydrophobicContact CD1-CB 4.3Å; I255-L273 WeakPolarHBondContact CD1-O 3.28Å; I255-L274 WeakPolarHBondContact O-CA 3.41Å; I255-D275 PolarHBondContact O-N 3.45Å; I255-K276 PolarHBondContact N-O 2.87Å; I255-V278 HydrophobicContact CD1-CG2 4.22Å; I255-V278 HydrophobicContact CG1-CG2 4.1Å; I255-F281 HydrophobicContact CD1-CD2 4.48Å; I255-F281 HydrophobicContact CD1-CE2 4.14Å
256	T	90	Very high	88.7	Confident	38 Å²	38	34.9 Å²	34.9	23%	0.233	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	-24.5	-179.7	59	0	0	0	0	112.8	R247 S254	R247-T256 PolarHBondContact O-N 3.08Å; R247-T256 PolarHBondContact O-OG1 3.32Å; S254-T256 PolarHBondContact O-N 3.33Å
257	E	90	Very high	88.3	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	144.1	179.9	173.1	177.3	-161.6	0	0	111.4	N133 I137 L246 R247 V259	N133-E257 VanDerWaalsContact ND2-CA 3.26Å; N133-E257 WeakPolarHBondContact ND2-CA 3.42Å; N133-E257 VanDerWaalsContact ND2-CB 3.33Å; N133-E257 WeakPolarHBondContact ND2-CB 3.46Å; N133-E257 VanDerWaalsContact ND2-CG 3.33Å; N133-E257 WeakPolarHBondContact ND2-CG 3.27Å; I137-E257 HydrophobicContact CD1-CB 4.13Å; I137-E257 HydrophobicContact CD1-CG 4.23Å; L246-E257 CarbonylContact C-O 3.44Å; L246-E257 WeakPolarHBondContact CA-O 3.42Å; R247-E257 HydrophobicContact CB-CB 4Å; R247-E257 IonicContact CZ-OE2 3.57Å; R247-E257 VanDerWaalsContact CZ-OE2 3.26Å; R247-E257 PolarHBondContact N-O 3.15Å; R247-E257 IonicContact NE-OE2 3.96Å; R247-E257 PolarHBondContact NE-OE2 2.79Å; R247-E257 IonicContact NH2-OE2 3.57Å; R247-E257 PolarHBondContact NH2-OE2 2.87Å; R247-E257 PolarHBondContact O-N 3.46Å; E257-V259 HydrophobicContact CG-CG2 3.84Å
258	V	92.2	Very high	88.2	Confident	1 Å²	1	35.3 Å²	35.3	1%	0.006	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	120	178	-178.3	0	0	0	0	107.7	V244 L246 I255 A270 L273 L274	V244-V258 HydrophobicContact CG1-CG1 3.82Å; L246-V258 HydrophobicContact CD2-CB 4.29Å; L246-V258 HydrophobicContact CD2-CG1 3.91Å; L246-V258 HydrophobicContact CD2-CG2 3.84Å; I255-V258 HydrophobicContact CG2-CG2 3.71Å; V258-A270 HydrophobicContact CB-CB 3.95Å; V258-A270 HydrophobicContact CG1-CB 4.02Å; V258-A270 HydrophobicContact CG2-CB 4.49Å; V258-L273 HydrophobicContact CG1-CD1 4.25Å; V258-L273 HydrophobicContact CG2-CB 4.02Å; V258-L273 HydrophobicContact CG2-CD1 4.17Å; V258-L274 HydrophobicContact CG2-CD2 4.15Å
259	V	89.3	Confident	88	Confident	0 Å²	0	38 Å²	38	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	129.9	-179.8	-177.1	0	0	0	0	109.6	E129 A165 I178 F188 T245 E257	E129-V259 HydrophobicContact CG-CG1 3.88Å; A165-V259 HydrophobicContact CB-CG1 4.41Å; A165-V259 HydrophobicContact CB-CG2 4.19Å; I178-V259 HydrophobicContact CD1-CB 4.11Å; I178-V259 HydrophobicContact CD1-CG1 3.7Å; I178-V259 HydrophobicContact CD1-CG2 4.08Å; I178-V259 HydrophobicContact CG1-CG1 4.05Å; F188-V259 HydrophobicContact CE1-CG2 3.92Å; F188-V259 HydrophobicContact CZ-CG2 3.96Å; T245-V259 PolarHBondContact N-O 2.89Å; T245-V259 PolarHBondContact O-N 3.27Å; E257-V259 HydrophobicContact CG-CG2 3.84Å
260	G	87.1	Confident	88	Confident	9 Å²	9	38.2 Å²	38.2	9%	0.093	22%	0.219	C	C	.	.	S	Bend	trans	107.2	-178.7	-178.2	0	0	0	0	0	113.6	R179 S262	R179-G260 WeakPolarHBondContact O-CA 3.12Å; G260-S262 PolarHBondContact O-N 3.25Å
261	N	85.5	Confident	88.2	Confident	68 Å²	68	42.8 Å²	42.8	36%	0.364	24%	0.236	S	C	.	.			trans	-82.8	78.6	-175.9	-173.3	-6.6	0	0	0	112.1	V244 Q263 S264 I265	V244-N261 VanDerWaalsContact CG2-C 3.45Å; V244-N261 WeakPolarHBondContact CG2-O 3.15Å; N261-Q263 VanDerWaalsContact C-N 3.31Å; N261-Q263 PolarHBondContact O-N 2.78Å; N261-S264 VanDerWaalsContact ND2-CB 3.35Å; N261-S264 WeakPolarHBondContact ND2-CB 3.4Å; N261-S264 PolarHBondContact ND2-OG 2.87Å; N261-S264 WeakPolarHBondContact OD1-CB 3.48Å; N261-S264 PolarHBondContact OD1-N 3.14Å; N261-S264 VanDerWaalsContact OD1-N 3.11Å; N261-S264 PolarHBondContact OD1-OG 2.72Å; N261-I265 WeakPolarHBondContact O-CG1 3.32Å; N261-I265 PolarHBondContact O-N 2.98Å
262	S	88.2	Confident	88.7	Confident	7 Å²	7	37.8 Å²	37.8	5%	0.049	21%	0.21	C	C	.	.	H	α-helix	trans	-63.4	-35.9	-178.7	67.4	0	0	0	0	112.9	G260 S264 L266 G267 W268 A270	G260-S262 PolarHBondContact O-N 3.25Å; S262-S264 PolarHBondContact O-N 3.13Å; S262-L266 WeakPolarHBondContact O-CA 3.36Å; S262-L266 VanDerWaalsContact O-CB 3.29Å; S262-L266 WeakPolarHBondContact O-CB 3.33Å; S262-L266 PolarHBondContact O-N 3.31Å; S262-G267 PolarHBondContact O-N 2.75Å; S262-W268 CarbonylContact C-O 3.15Å; S262-W268 WeakPolarHBondContact CB-O 3.38Å; S262-W268 PolarHBondContact OG-O 3.49Å; S262-A270 PolarHBondContact OG-N 3.15Å
263	Q	86.6	Confident	88.8	Confident	104 Å²	104	34.2 Å²	34.2	49%	0.486	19%	0.188	S	C	.	.	H	α-helix	trans	-66.1	-40.7	-176.4	-175	60.1	55.3	0	0	111.7	N261 G267 W268	N261-Q263 VanDerWaalsContact C-N 3.31Å; N261-Q263 PolarHBondContact O-N 2.78Å; Q263-G267 PolarHBondContact NE2-O 3.47Å; Q263-G267 VanDerWaalsContact O-CA 3.24Å; Q263-G267 WeakPolarHBondContact O-CA 3.42Å; Q263-G267 PolarHBondContact O-N 3.31Å; Q263-W268 WeakPolarHBondContact CA-O 3.49Å; Q263-W268 PolarHBondContact N-O 2.87Å; Q263-W268 VanDerWaalsContact N-O 3.15Å
264	S	84.9	Confident	88.9	Confident	93 Å²	93	31.3 Å²	31.3	65%	0.65	18%	0.176	S	C	*	.	H	α-helix	trans	-77.4	-36.3	180	-62.5	0	0	0	0	113.2	N261 S262	N261-S264 VanDerWaalsContact ND2-CB 3.35Å; N261-S264 WeakPolarHBondContact ND2-CB 3.4Å; N261-S264 PolarHBondContact ND2-OG 2.87Å; N261-S264 WeakPolarHBondContact OD1-CB 3.48Å; N261-S264 PolarHBondContact OD1-N 3.14Å; N261-S264 VanDerWaalsContact OD1-N 3.11Å; N261-S264 PolarHBondContact OD1-OG 2.72Å; S262-S264 PolarHBondContact O-N 3.13Å
265	I	84.5	Confident	88.8	Confident	20 Å²	20	35.6 Å²	35.6	10%	0.103	20%	0.198	C	C	.	.	H	α-helix	trans	-89.7	-46.3	-173.8	-56.7	180	0	0	0	111.9	D242 V244 N261 L320	D242-I265 HydrophobicContact CB-CD1 3.72Å; D242-I265 HydrophobicContact CB-CG1 4.37Å; V244-I265 HydrophobicContact CG2-CB 4.2Å; V244-I265 HydrophobicContact CG2-CD1 3.81Å; V244-I265 HydrophobicContact CG2-CG1 4.39Å; N261-I265 WeakPolarHBondContact O-CG1 3.32Å; N261-I265 PolarHBondContact O-N 2.98Å; I265-L320 HydrophobicContact CG2-CD2 4.49Å
266	L	88.1	Confident	88.8	Confident	1 Å²	1	39 Å²	39	1%	0.005	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-19.1	-173.9	-52.8	-178.9	0	0	0	112.2	V244 S262 W268 L273 W309 L320 L340	V244-L266 HydrophobicContact CB-CD1 4.18Å; V244-L266 HydrophobicContact CB-CG 4.48Å; V244-L266 HydrophobicContact CG1-CD1 3.86Å; S262-L266 WeakPolarHBondContact O-CA 3.36Å; S262-L266 VanDerWaalsContact O-CB 3.29Å; S262-L266 WeakPolarHBondContact O-CB 3.33Å; S262-L266 PolarHBondContact O-N 3.31Å; L266-W268 VanDerWaalsContact C-N 3.27Å; L266-W268 VanDerWaalsContact O-CD1 3.24Å; L266-L273 HydrophobicContact CD1-CD1 3.97Å; L266-W309 HydrophobicContact CD1-CZ2 4.04Å; L266-W309 HydrophobicContact CD2-CD2 4.25Å; L266-W309 HydrophobicContact CD2-CG 4.35Å; L266-L320 HydrophobicContact CD2-CD1 3.44Å; L266-L320 VanDerWaalsContact CD2-CD1 3.44Å; L266-L340 HydrophobicContact CD1-CD1 3.86Å; L266-L340 HydrophobicContact CD2-CB 4.19Å; L266-L340 HydrophobicContact CD2-CD1 3.69Å; L266-L340 HydrophobicContact CG-CD1 4.45Å
267	G	86.8	Confident	88.9	Confident	20 Å²	20	40.8 Å²	40.8	21%	0.206	22%	0.218	C	C	.	.	S	Bend	trans	79.7	6.1	-173.5	0	0	0	0	0	114.1	S262 Q263 Y312	S262-G267 PolarHBondContact O-N 2.75Å; Q263-G267 PolarHBondContact NE2-O 3.47Å; Q263-G267 VanDerWaalsContact O-CA 3.24Å; Q263-G267 WeakPolarHBondContact O-CA 3.42Å; Q263-G267 PolarHBondContact O-N 3.31Å; G267-Y312 WeakPolarHBondContact O-CB 3.41Å
268	W	89.2	Confident	89.1	Confident	20 Å²	20	40.9 Å²	40.9	8%	0.076	22%	0.219	C	C	.	.	S	Bend	trans	-115.3	142.8	-178.7	-66.7	87.7	0	0	0	111.7	S262 Q263 L266 D272 L273 F281 W309 L310 N311 Y312	S262-W268 CarbonylContact C-O 3.15Å; S262-W268 WeakPolarHBondContact CB-O 3.38Å; S262-W268 PolarHBondContact OG-O 3.49Å; Q263-W268 WeakPolarHBondContact CA-O 3.49Å; Q263-W268 PolarHBondContact N-O 2.87Å; Q263-W268 VanDerWaalsContact N-O 3.15Å; L266-W268 VanDerWaalsContact C-N 3.27Å; L266-W268 VanDerWaalsContact O-CD1 3.24Å; W268-D272 HydrophobicContact CE3-CB 3.87Å; W268-D272 HydrophobicContact CZ3-CB 4.41Å; W268-L273 HydrophobicContact CB-CD1 4.22Å; W268-L273 HydrophobicContact CB-CD2 3.72Å; W268-L273 HydrophobicContact CB-CG 3.94Å; W268-L273 HydrophobicContact CD2-CD2 4.27Å; W268-L273 HydrophobicContact CG-CD2 3.82Å; W268-F281 HydrophobicContact CD2-CD1 4.27Å; W268-F281 HydrophobicContact CD2-CE1 4.12Å; W268-F281 AromaticContact CE2-CD1 3.81Å; W268-F281 HydrophobicContact CE3-CE1 4.23Å; W268-F281 HydrophobicContact CH2-CE1 4.26Å; W268-F281 AromaticContact CZ2-CD1 3.95Å; W268-F281 HydrophobicContact CZ2-CD1 3.95Å; W268-F281 HydrophobicContact CZ2-CE1 4.14Å; W268-F281 HydrophobicContact CZ3-CE1 4.31Å; W268-W309 AromaticContact CD1-NE1 3.33Å; W268-W309 VanDerWaalsContact CD1-NE1 3.33Å; W268-W309 AromaticContact NE1-NE1 3.51Å; W268-L310 PolarHBondContact NE1-O 2.81Å; W268-N311 VanDerWaalsContact CZ2-O 3.32Å; W268-N311 WeakPolarHBondContact CZ2-O 3.34Å; W268-Y312 HydrophobicContact CD2-CD2 4.27Å; W268-Y312 AromaticContact CE3-CD2 3.6Å; W268-Y312 HydrophobicContact CE3-CD2 3.6Å; W268-Y312 HydrophobicContact CE3-CE2 4.28Å; W268-Y312 HydrophobicContact CH2-CD2 4.25Å; W268-Y312 AromaticContact CZ3-CD2 3.59Å; W268-Y312 HydrophobicContact CZ3-CD2 3.59Å; W268-Y312 HydrophobicContact CZ3-CE2 4.04Å; W268-Y312 HydrophobicContact CZ3-CG 4.49Å
269	D	89.1	Confident	89.1	Confident	55 Å²	55	43.2 Å²	43.2	29%	0.294	23%	0.23	S	C	.	.			trans	-68.4	140.4	165.6	-169.9	-56.5	0	0	0	108.6	K271 D272	D269-K271 HydrophobicContact CB-CD 4.38Å; D269-K271 HydrophobicContact CB-CG 4.15Å; D269-K271 PolarHBondContact O-N 3.47Å; D269-K271 VanDerWaalsContact O-N 3.13Å; D269-K271 WeakPolarHBondContact OD1-CD 3.5Å; D269-K271 WeakPolarHBondContact OD1-CG 3.49Å; D269-K271 PolarHBondContact OD1-N 3.43Å; D269-K271 IonicContact OD1-NZ 3.93Å; D269-K271 WeakPolarHBondContact OD2-CE 3.43Å; D269-K271 IonicContact OD2-NZ 2.78Å; D269-K271 PolarHBondContact OD2-NZ 3.15Å; D269-D272 PolarHBondContact O-N 2.84Å
270	A	87.8	Confident	89.2	Confident	18 Å²	18	46.8 Å²	46.8	15%	0.149	25%	0.246	C	C	.	.	H	α-helix	trans	-52.1	-37.5	179.5	0	0	0	0	0	112	V258 S262 D272 L273 L274	V258-A270 HydrophobicContact CB-CB 3.95Å; V258-A270 HydrophobicContact CG1-CB 4.02Å; V258-A270 HydrophobicContact CG2-CB 4.49Å; S262-A270 PolarHBondContact OG-N 3.15Å; A270-D272 PolarHBondContact O-N 2.88Å; A270-L273 PolarHBondContact O-N 2.96Å; A270-L274 WeakPolarHBondContact O-CG 3.44Å; A270-L274 PolarHBondContact O-N 3.4Å
271	K	88.5	Confident	89.5	Confident	128 Å²	128	46.5 Å²	46.5	56%	0.557	24%	0.242	S	C	*	.	H	α-helix	trans	-62.8	-29.7	179.8	77.5	-160.1	175.5	-140.6	0	113.5	D269 L273	D269-K271 HydrophobicContact CB-CD 4.38Å; D269-K271 HydrophobicContact CB-CG 4.15Å; D269-K271 PolarHBondContact O-N 3.47Å; D269-K271 VanDerWaalsContact O-N 3.13Å; D269-K271 WeakPolarHBondContact OD1-CD 3.5Å; D269-K271 WeakPolarHBondContact OD1-CG 3.49Å; D269-K271 PolarHBondContact OD1-N 3.43Å; D269-K271 IonicContact OD1-NZ 3.93Å; D269-K271 WeakPolarHBondContact OD2-CE 3.43Å; D269-K271 IonicContact OD2-NZ 2.78Å; D269-K271 PolarHBondContact OD2-NZ 3.15Å; K271-L273 VanDerWaalsContact C-N 3.29Å
272	D	90.8	Very high	89.9	Confident	46 Å²	46	43.4 Å²	43.4	25%	0.246	23%	0.226	C	C	.	.	H	α-helix	trans	-82.2	-14.3	-176	-62.6	-36	0	0	0	111.9	W268 D269 A270 K276	W268-D272 HydrophobicContact CE3-CB 3.87Å; W268-D272 HydrophobicContact CZ3-CB 4.41Å; D269-D272 PolarHBondContact O-N 2.84Å; A270-D272 PolarHBondContact O-N 2.88Å; D272-K276 WeakPolarHBondContact O-CD 3.33Å; D272-K276 WeakPolarHBondContact O-CE 3.49Å; D272-K276 PolarHBondContact O-NZ 2.96Å
273	L	91.4	Very high	90.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-90.2	-27.1	177.8	-61	178.4	0	0	0	112.6	L246 I255 V258 L266 W268 A270 K271 F281 W309	L246-L273 HydrophobicContact CD2-CD1 4.37Å; I255-L273 HydrophobicContact CD1-CB 4.3Å; I255-L273 WeakPolarHBondContact CD1-O 3.28Å; V258-L273 HydrophobicContact CG1-CD1 4.25Å; V258-L273 HydrophobicContact CG2-CB 4.02Å; V258-L273 HydrophobicContact CG2-CD1 4.17Å; L266-L273 HydrophobicContact CD1-CD1 3.97Å; W268-L273 HydrophobicContact CB-CD1 4.22Å; W268-L273 HydrophobicContact CB-CD2 3.72Å; W268-L273 HydrophobicContact CB-CG 3.94Å; W268-L273 HydrophobicContact CD2-CD2 4.27Å; W268-L273 HydrophobicContact CG-CD2 3.82Å; A270-L273 PolarHBondContact O-N 2.96Å; K271-L273 VanDerWaalsContact C-N 3.29Å; L273-F281 HydrophobicContact CD2-CD1 3.86Å; L273-F281 HydrophobicContact CD2-CD2 4.25Å; L273-F281 HydrophobicContact CD2-CE1 3.49Å; L273-F281 VanDerWaalsContact CD2-CE1 3.49Å; L273-F281 HydrophobicContact CD2-CE2 3.9Å; L273-F281 HydrophobicContact CD2-CG 4.22Å; L273-F281 HydrophobicContact CD2-CZ 3.5Å; L273-F281 VanDerWaalsContact CD2-CZ 3.5Å; L273-W309 HydrophobicContact CD2-CZ2 3.87Å
274	L	91	Very high	90.2	Very high	17 Å²	17	46.2 Å²	46.2	9%	0.089	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	148	-175.8	-63.3	172.5	0	0	0	111.8	N133 I255 V258 A270 K276	N133-L274 HydrophobicContact CB-CD1 4.29Å; N133-L274 WeakPolarHBondContact OD1-CD1 3.26Å; N133-L274 WeakPolarHBondContact OD1-CD2 3.45Å; I255-L274 WeakPolarHBondContact O-CA 3.41Å; V258-L274 HydrophobicContact CG2-CD2 4.15Å; A270-L274 WeakPolarHBondContact O-CG 3.44Å; A270-L274 PolarHBondContact O-N 3.4Å; L274-K276 PolarHBondContact O-N 2.69Å; L274-K276 VanDerWaalsContact O-N 3.07Å
275	D	90.1	Very high	90.5	Very high	103 Å²	103	46.6 Å²	46.6	55%	0.551	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.2	15.8	175.1	-54.8	-49.4	0	0	0	114.4	R136 I255	R136-D275 IonicContact NH2-OD2 3.74Å; I255-D275 PolarHBondContact O-N 3.45Å
276	K	93.4	Very high	90.8	Very high	72 Å²	72	46.3 Å²	46.3	31%	0.313	24%	0.242	S	C	.	.	S	Bend	trans	-116.8	163.7	175.7	-68.6	171.4	-176.9	171.7	0	111.6	S254 I255 D272 L274 E280 F281	S254-K276 CarbonylContact C-O 3.51Å; S254-K276 WeakPolarHBondContact CA-O 3.33Å; I255-K276 PolarHBondContact N-O 2.87Å; D272-K276 WeakPolarHBondContact O-CD 3.33Å; D272-K276 WeakPolarHBondContact O-CE 3.49Å; D272-K276 PolarHBondContact O-NZ 2.96Å; L274-K276 PolarHBondContact O-N 2.69Å; L274-K276 VanDerWaalsContact O-N 3.07Å; K276-E280 WeakPolarHBondContact CB-OE1 3.1Å; K276-F281 HydrophobicContact CB-CE2 3.82Å; K276-F281 HydrophobicContact CB-CZ 4.02Å; K276-F281 HydrophobicContact CD-CE2 4.25Å; K276-F281 HydrophobicContact CD-CZ 3.59Å; K276-F281 HydrophobicContact CG-CZ 4.5Å
277	H	93.2	Very high	91	Very high	75 Å²	75	49.5 Å²	49.5	35%	0.347	26%	0.257	S	S	.	.	B	Isolated β-bridge	trans	-87	146.6	177.2	-62	-94.1	0	0	0	111.4	T252 F253 E279 E280 F281	T252-H277 PolarHBondContact O-CE1 2.85Å; F253-H277 PolarHBondContact O-ND1 3.06Å; H277-E279 PolarHBondContact O-N 3.19Å; H277-E280 HydrophobicContact CB-CG 4.34Å; H277-E280 IonicContact CD2-OE1 3.57Å; H277-E280 PolarHBondContact N-OE1 2.96Å; H277-E280 WeakPolarHBondContact O-CB 3.4Å; H277-E280 PolarHBondContact O-N 2.79Å; H277-E280 VanDerWaalsContact O-N 3.11Å; H277-F281 WeakPolarHBondContact O-CD2 3.28Å; H277-F281 WeakPolarHBondContact O-CE2 3.39Å
278	V	92.9	Very high	91.3	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.006	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-57.3	-33.5	176.9	-178.1	0	0	0	0	111.6	L246 I248 I255 E280 F281 V290 W309 F324	L246-V278 HydrophobicContact CD1-CG2 4.46Å; I248-V278 HydrophobicContact CD1-CG2 3.67Å; I248-V278 HydrophobicContact CG1-CG2 4.23Å; I255-V278 HydrophobicContact CD1-CG2 4.22Å; I255-V278 HydrophobicContact CG1-CG2 4.1Å; V278-E280 PolarHBondContact O-N 3.06Å; V278-F281 PolarHBondContact O-N 2.83Å; V278-V290 HydrophobicContact CB-CG1 3.99Å; V278-V290 HydrophobicContact CG1-CG1 3.83Å; V278-W309 HydrophobicContact CG1-CZ3 4.06Å; V278-F324 HydrophobicContact CG1-CZ 4.4Å
279	E	92.6	Very high	91.5	Very high	51 Å²	51	57.3 Å²	57.3	24%	0.238	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-61.6	-25.2	-179.9	-61.8	162	177.7	0	0	113.3	H277 F281 V282 Q287 V290 T291	H277-E279 PolarHBondContact O-N 3.19Å; E279-F281 PolarHBondContact O-N 2.65Å; E279-V282 WeakPolarHBondContact O-CG2 3.48Å; E279-Q287 HydrophobicContact CB-CG 4.45Å; E279-Q287 WeakPolarHBondContact O-CG 3.4Å; E279-Q287 PolarHBondContact O-NE2 3.06Å; E279-V290 HydrophobicContact CG-CB 4.12Å; E279-V290 HydrophobicContact CG-CG1 3.81Å; E279-T291 VanDerWaalsContact CD-OG1 3.25Å; E279-T291 WeakPolarHBondContact OE1-CA 3.4Å; E279-T291 WeakPolarHBondContact OE1-CB 3.36Å; E279-T291 PolarHBondContact OE1-OG1 2.97Å
280	E	92.1	Very high	91.8	Very high	74 Å²	74	54.7 Å²	54.7	35%	0.346	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-71.1	-18.7	179.8	-65.7	178.7	-124	0	0	113.3	K276 H277 V278 K314	K276-E280 WeakPolarHBondContact CB-OE1 3.1Å; H277-E280 HydrophobicContact CB-CG 4.34Å; H277-E280 IonicContact CD2-OE1 3.57Å; H277-E280 PolarHBondContact N-OE1 2.96Å; H277-E280 WeakPolarHBondContact O-CB 3.4Å; H277-E280 PolarHBondContact O-N 2.79Å; H277-E280 VanDerWaalsContact O-N 3.11Å; V278-E280 PolarHBondContact O-N 3.06Å; E280-K314 PolarHBondContact O-NZ 3.13Å
281	F	93.5	Very high	92.1	Very high	4 Å²	4	55.8 Å²	55.8	2%	0.018	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-107.8	6.2	-173.9	-56.5	-77	0	0	0	113.5	I255 W268 L273 K276 H277 V278 E279 W309 L310	I255-F281 HydrophobicContact CD1-CD2 4.48Å; I255-F281 HydrophobicContact CD1-CE2 4.14Å; W268-F281 HydrophobicContact CD2-CD1 4.27Å; W268-F281 HydrophobicContact CD2-CE1 4.12Å; W268-F281 AromaticContact CE2-CD1 3.81Å; W268-F281 HydrophobicContact CE3-CE1 4.23Å; W268-F281 HydrophobicContact CH2-CE1 4.26Å; W268-F281 AromaticContact CZ2-CD1 3.95Å; W268-F281 HydrophobicContact CZ2-CD1 3.95Å; W268-F281 HydrophobicContact CZ2-CE1 4.14Å; W268-F281 HydrophobicContact CZ3-CE1 4.31Å; L273-F281 HydrophobicContact CD2-CD1 3.86Å; L273-F281 HydrophobicContact CD2-CD2 4.25Å; L273-F281 HydrophobicContact CD2-CE1 3.49Å; L273-F281 VanDerWaalsContact CD2-CE1 3.49Å; L273-F281 HydrophobicContact CD2-CE2 3.9Å; L273-F281 HydrophobicContact CD2-CG 4.22Å; L273-F281 HydrophobicContact CD2-CZ 3.5Å; L273-F281 VanDerWaalsContact CD2-CZ 3.5Å; K276-F281 HydrophobicContact CB-CE2 3.82Å; K276-F281 HydrophobicContact CB-CZ 4.02Å; K276-F281 HydrophobicContact CD-CE2 4.25Å; K276-F281 HydrophobicContact CD-CZ 3.59Å; K276-F281 HydrophobicContact CG-CZ 4.5Å; H277-F281 WeakPolarHBondContact O-CD2 3.28Å; H277-F281 WeakPolarHBondContact O-CE2 3.39Å; V278-F281 PolarHBondContact O-N 2.83Å; E279-F281 PolarHBondContact O-N 2.65Å; F281-W309 HydrophobicContact CB-CD2 4.02Å; F281-W309 HydrophobicContact CB-CE3 4.13Å; F281-W309 HydrophobicContact CB-CH2 3.49Å; F281-W309 VanDerWaalsContact CB-CH2 3.49Å; F281-W309 HydrophobicContact CB-CZ2 3.34Å; F281-W309 HydrophobicContact CB-CZ3 3.88Å; F281-W309 HydrophobicContact CD1-CZ2 4.17Å; F281-W309 AromaticContact CD2-CH2 3.96Å; F281-W309 HydrophobicContact CD2-CH2 3.96Å; F281-W309 HydrophobicContact CD2-CZ2 4.11Å; F281-W309 AromaticContact CG-CH2 3.86Å; F281-W309 HydrophobicContact CG-CH2 3.86Å; F281-W309 AromaticContact CG-CZ2 3.63Å; F281-W309 HydrophobicContact CG-CZ2 3.63Å; F281-W309 CarbonylContact O-C 3.42Å; F281-W309 WeakPolarHBondContact O-CA 3.43Å; F281-L310 PolarHBondContact O-N 3.41Å
282	V	93.4	Very high	92.3	Very high	2 Å²	2	55.2 Å²	55.2	1%	0.012	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-111.3	166.2	174.7	-59.5	0	0	0	0	111.1	E279 E286 Q287 V290 I307 N308 W309 L310	E279-V282 WeakPolarHBondContact O-CG2 3.48Å; V282-E286 HydrophobicContact CB-CB 4.1Å; V282-E286 HydrophobicContact CG2-CB 4.06Å; V282-Q287 HydrophobicContact CG2-CB 4.48Å; V282-Q287 HydrophobicContact CG2-CG 3.8Å; V282-V290 HydrophobicContact CG1-CG2 3.99Å; V282-V290 HydrophobicContact CG2-CG2 4.04Å; V282-I307 HydrophobicContact CG1-CB 4.11Å; V282-I307 HydrophobicContact CG1-CD1 3.81Å; V282-I307 HydrophobicContact CG1-CG1 4.42Å; V282-I307 HydrophobicContact CG1-CG2 4.44Å; V282-N308 WeakPolarHBondContact CA-O 3.12Å; V282-W309 HydrophobicContact CG1-CE3 4.35Å; V282-L310 VanDerWaalsContact O-CD1 3.28Å; V282-L310 WeakPolarHBondContact O-CD1 3.33Å
283	T	91.7	Very high	92.5	Very high	35 Å²	35	53.1 Å²	53.1	22%	0.215	27%	0.273	C	S	.	.			trans	-66.1	152.4	173.4	64.5	0	0	0	0	111	P285 E286 Q287 N308 L310	T283-P285 VanDerWaalsContact C-CD 3.4Å; T283-P285 VanDerWaalsContact C-N 3.33Å; T283-E286 PolarHBondContact N-OE2 2.92Å; T283-E286 WeakPolarHBondContact O-CB 3.23Å; T283-E286 PolarHBondContact O-N 3.5Å; T283-E286 WeakPolarHBondContact OG1-CG 3.39Å; T283-E286 PolarHBondContact OG1-OE2 3.15Å; T283-Q287 PolarHBondContact O-N 3.45Å; T283-N308 HydrophobicContact CG2-CB 3.67Å; T283-N308 PolarHBondContact N-O 3.48Å; T283-L310 HydrophobicContact CG2-CD2 3.96Å
284	I	89.9	Confident	92.6	Very high	136 Å²	136	53.5 Å²	53.5	70%	0.697	28%	0.276	S	S	*	.	H	α-helix	trans	-49.8	-44.5	-177.6	-61.1	171.1	0	0	0	113.2	E286 Q287	I284-E286 PolarHBondContact O-N 3.36Å; I284-Q287 PolarHBondContact O-N 2.99Å
285	P	90	Very high	92.6	Very high	100 Å²	100	57.7 Å²	57.7	65%	0.649	29%	0.294	S	S	*	.	H	α-helix	trans	-61.8	-25	178.8	-23.3	35.2	0	0	0	114.3	T283	T283-P285 VanDerWaalsContact C-CD 3.4Å; T283-P285 VanDerWaalsContact C-N 3.33Å
286	E	91.6	Very high	92.6	Very high	14 Å²	14	55.8 Å²	55.8	7%	0.065	28%	0.282	C	S	.	.	H	α-helix	trans	-94.6	-12.6	-173.5	-65.2	166.7	154.3	0	0	113.1	V282 T283 I284 N288 I289 V290 I307 N308	V282-E286 HydrophobicContact CB-CB 4.1Å; V282-E286 HydrophobicContact CG2-CB 4.06Å; T283-E286 PolarHBondContact N-OE2 2.92Å; T283-E286 WeakPolarHBondContact O-CB 3.23Å; T283-E286 PolarHBondContact O-N 3.5Å; T283-E286 WeakPolarHBondContact OG1-CG 3.39Å; T283-E286 PolarHBondContact OG1-OE2 3.15Å; I284-E286 PolarHBondContact O-N 3.36Å; E286-N288 VanDerWaalsContact C-N 3.3Å; E286-N288 PolarHBondContact O-N 3.38Å; E286-I289 HydrophobicContact CG-CD1 4.31Å; E286-I289 WeakPolarHBondContact O-CA 3.33Å; E286-I289 WeakPolarHBondContact O-CB 3.38Å; E286-I289 PolarHBondContact O-N 2.94Å; E286-V290 WeakPolarHBondContact O-CG2 3.42Å; E286-V290 PolarHBondContact O-N 2.82Å; E286-I307 WeakPolarHBondContact OE1-CA 3.42Å; E286-N308 VanDerWaalsContact OE1-CB 3.29Å; E286-N308 WeakPolarHBondContact OE1-CB 3.21Å; E286-N308 PolarHBondContact OE1-N 3.35Å; E286-N308 PolarHBondContact OE1-ND2 3.49Å; E286-N308 VanDerWaalsContact OE2-CA 3.31Å; E286-N308 WeakPolarHBondContact OE2-CA 3.45Å; E286-N308 VanDerWaalsContact OE2-CB 3.23Å; E286-N308 WeakPolarHBondContact OE2-CB 3.44Å; E286-N308 PolarHBondContact OE2-N 3.24Å; E286-N308 VanDerWaalsContact OE2-O 3.12Å
287	Q	93.1	Very high	92.5	Very high	69 Å²	69	52.4 Å²	52.4	32%	0.322	27%	0.268	S	S	.	.	H	α-helix	trans	-54.2	-49.5	177.1	-67.4	-173.8	-28.9	0	0	110.7	E279 V282 T283 I284 I289 V290 T291	E279-Q287 HydrophobicContact CB-CG 4.45Å; E279-Q287 WeakPolarHBondContact O-CG 3.4Å; E279-Q287 PolarHBondContact O-NE2 3.06Å; V282-Q287 HydrophobicContact CG2-CB 4.48Å; V282-Q287 HydrophobicContact CG2-CG 3.8Å; T283-Q287 PolarHBondContact O-N 3.45Å; I284-Q287 PolarHBondContact O-N 2.99Å; Q287-I289 VanDerWaalsContact C-N 3.26Å; Q287-I289 PolarHBondContact O-N 3.4Å; Q287-V290 PolarHBondContact O-N 3.37Å; Q287-T291 PolarHBondContact O-N 2.85Å; Q287-T291 PolarHBondContact O-OG1 2.58Å
288	N	92.5	Very high	92.3	Very high	127 Å²	127	51.3 Å²	51.3	68%	0.679	27%	0.266	S	S	*	.	H	α-helix	trans	-62.6	-32.3	176.5	-68.7	-26.6	0	0	0	113.2	E286 H292	E286-N288 VanDerWaalsContact C-N 3.3Å; E286-N288 PolarHBondContact O-N 3.38Å; N288-H292 WeakPolarHBondContact O-CB 3.36Å; N288-H292 PolarHBondContact O-N 2.93Å
289	I	94.1	Very high	92	Very high	76 Å²	76	59 Å²	59	39%	0.39	30%	0.3	S	S	.	.	H	α-helix	trans	-68.6	-43.5	177.8	-56.6	178.4	0	0	0	109.5	E286 Q287 H292 A293 I305	E286-I289 HydrophobicContact CG-CD1 4.31Å; E286-I289 WeakPolarHBondContact O-CA 3.33Å; E286-I289 WeakPolarHBondContact O-CB 3.38Å; E286-I289 PolarHBondContact O-N 2.94Å; Q287-I289 VanDerWaalsContact C-N 3.26Å; Q287-I289 PolarHBondContact O-N 3.4Å; I289-H292 PolarHBondContact O-N 3.17Å; I289-A293 WeakPolarHBondContact O-CB 3.48Å; I289-A293 PolarHBondContact O-N 2.87Å; I289-I305 HydrophobicContact CG2-CB 4.16Å; I289-I305 HydrophobicContact CG2-CD1 4.01Å; I289-I305 HydrophobicContact CG2-CG2 4.02Å
290	V	94.6	Very high	91.7	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-63.5	-47.7	175.6	174	0	0	0	0	110.9	V278 E279 V282 E286 Q287 H292 A293 I294 I305 I307 F324	V278-V290 HydrophobicContact CB-CG1 3.99Å; V278-V290 HydrophobicContact CG1-CG1 3.83Å; E279-V290 HydrophobicContact CG-CB 4.12Å; E279-V290 HydrophobicContact CG-CG1 3.81Å; V282-V290 HydrophobicContact CG1-CG2 3.99Å; V282-V290 HydrophobicContact CG2-CG2 4.04Å; E286-V290 WeakPolarHBondContact O-CG2 3.42Å; E286-V290 PolarHBondContact O-N 2.82Å; Q287-V290 PolarHBondContact O-N 3.37Å; V290-H292 VanDerWaalsContact C-N 3.31Å; V290-H292 PolarHBondContact O-N 2.76Å; V290-A293 PolarHBondContact O-N 2.88Å; V290-A293 VanDerWaalsContact O-N 3.15Å; V290-I294 HydrophobicContact CG1-CD1 3.97Å; V290-I294 WeakPolarHBondContact O-CG1 3.31Å; V290-I294 PolarHBondContact O-N 2.94Å; V290-I305 HydrophobicContact CG2-CD1 3.93Å; V290-I307 HydrophobicContact CG2-CG2 3.91Å; V290-F324 HydrophobicContact CG1-CZ 4.21Å
291	T	93.6	Very high	91.4	Very high	41 Å²	41	57.8 Å²	57.8	25%	0.252	30%	0.297	S	S	.	.	H	α-helix	trans	-56.8	-46.6	177.2	-48.2	0	0	0	0	111.1	E279 Q287 A293 I294 Q295	E279-T291 VanDerWaalsContact CD-OG1 3.25Å; E279-T291 WeakPolarHBondContact OE1-CA 3.4Å; E279-T291 WeakPolarHBondContact OE1-CB 3.36Å; E279-T291 PolarHBondContact OE1-OG1 2.97Å; Q287-T291 PolarHBondContact O-N 2.85Å; Q287-T291 PolarHBondContact O-OG1 2.58Å; T291-A293 PolarHBondContact O-N 3.43Å; T291-I294 PolarHBondContact O-N 2.78Å; T291-Q295 WeakPolarHBondContact O-CG 3.35Å; T291-Q295 PolarHBondContact O-N 3.48Å
292	H	93.4	Very high	91.3	Very high	117 Å²	117	60.9 Å²	60.9	54%	0.542	31%	0.313	S	S	.	.	H	α-helix	trans	-63.5	-41.7	177.8	-174.8	-81.9	0	0	0	111.9	N288 I289 V290 I294 Q295 E296	N288-H292 WeakPolarHBondContact O-CB 3.36Å; N288-H292 PolarHBondContact O-N 2.93Å; I289-H292 PolarHBondContact O-N 3.17Å; V290-H292 VanDerWaalsContact C-N 3.31Å; V290-H292 PolarHBondContact O-N 2.76Å; H292-I294 PolarHBondContact O-N 2.81Å; H292-Q295 PolarHBondContact O-N 2.8Å; H292-E296 VanDerWaalsContact O-CB 3.28Å; H292-E296 WeakPolarHBondContact O-CB 3.45Å; H292-E296 PolarHBondContact O-N 3.35Å
293	A	94.1	Very high	91.2	Very high	1 Å²	1	61 Å²	61	1%	0.008	32%	0.315	C	S	.	.	H	α-helix	trans	-64.4	-37.8	178.3	0	0	0	0	0	112.8	I289 V290 T291 T297 S303 I305 F324	I289-A293 WeakPolarHBondContact O-CB 3.48Å; I289-A293 PolarHBondContact O-N 2.87Å; V290-A293 PolarHBondContact O-N 2.88Å; V290-A293 VanDerWaalsContact O-N 3.15Å; T291-A293 PolarHBondContact O-N 3.43Å; A293-T297 VanDerWaalsContact O-CB 3.29Å; A293-T297 WeakPolarHBondContact O-CB 3.21Å; A293-T297 PolarHBondContact O-N 3.04Å; A293-T297 PolarHBondContact O-OG1 3.11Å; A293-S303 WeakPolarHBondContact O-CB 3.08Å; A293-I305 HydrophobicContact CB-CD1 3.79Å; A293-I305 HydrophobicContact CB-CG1 4.29Å; A293-I305 HydrophobicContact CB-CG2 3.73Å; A293-F324 HydrophobicContact CB-CD2 4.11Å; A293-F324 HydrophobicContact CB-CE2 4.21Å
294	I	93.1	Very high	91.3	Very high	9 Å²	9	62.2 Å²	62.2	5%	0.046	32%	0.322	C	S	.	.	H	α-helix	trans	-64	-49	174	-68.9	171	0	0	0	109.8	F253 V290 T291 H292 E296 T297 V298 F324 I336	F253-I294 HydrophobicContact CD1-CG2 3.55Å; F253-I294 HydrophobicContact CE1-CG2 3.62Å; F253-I294 HydrophobicContact CG-CG2 4.39Å; V290-I294 HydrophobicContact CG1-CD1 3.97Å; V290-I294 WeakPolarHBondContact O-CG1 3.31Å; V290-I294 PolarHBondContact O-N 2.94Å; T291-I294 PolarHBondContact O-N 2.78Å; H292-I294 PolarHBondContact O-N 2.81Å; I294-E296 VanDerWaalsContact C-N 3.33Å; I294-E296 PolarHBondContact O-N 3.1Å; I294-T297 WeakPolarHBondContact O-CB 3.36Å; I294-T297 PolarHBondContact O-N 3.23Å; I294-T297 VanDerWaalsContact O-N 3.15Å; I294-V298 WeakPolarHBondContact O-CG2 3.16Å; I294-V298 PolarHBondContact O-N 3.15Å; I294-F324 HydrophobicContact CD1-CE1 4.35Å; I294-F324 HydrophobicContact CG1-CD1 4.07Å; I294-F324 HydrophobicContact CG1-CE1 3.79Å; I294-F324 HydrophobicContact CG1-CZ 4.5Å; I294-I336 HydrophobicContact CG2-CD1 3.89Å
295	Q	92	Very high	91.5	Very high	104 Å²	104	56.7 Å²	56.7	49%	0.486	29%	0.294	S	S	.	.	H	α-helix	trans	-62.1	-39.8	178	-70.1	176.7	-0.8	0	0	112.8	T291 H292 T297 V298 K299	T291-Q295 WeakPolarHBondContact O-CG 3.35Å; T291-Q295 PolarHBondContact O-N 3.48Å; H292-Q295 PolarHBondContact O-N 2.8Å; Q295-T297 VanDerWaalsContact C-N 3.33Å; Q295-V298 PolarHBondContact O-N 2.87Å; Q295-K299 WeakPolarHBondContact O-CG 3.48Å; Q295-K299 PolarHBondContact O-N 2.95Å
296	E	91.1	Very high	91.7	Very high	64 Å²	64	56.4 Å²	56.4	30%	0.299	28%	0.282	S	S	.	.	H	α-helix	trans	-63.8	-41.4	174.4	-173.8	-178.1	-165.5	0	0	110.8	H292 I294 V298 K299 N300 S303	H292-E296 VanDerWaalsContact O-CB 3.28Å; H292-E296 WeakPolarHBondContact O-CB 3.45Å; H292-E296 PolarHBondContact O-N 3.35Å; I294-E296 VanDerWaalsContact C-N 3.33Å; I294-E296 PolarHBondContact O-N 3.1Å; E296-V298 VanDerWaalsContact C-N 3.35Å; E296-V298 PolarHBondContact O-N 2.97Å; E296-K299 PolarHBondContact O-N 2.88Å; E296-K299 VanDerWaalsContact O-N 3.12Å; E296-N300 HydrophobicContact CG-CB 4.48Å; E296-N300 WeakPolarHBondContact CG-ND2 3.47Å; E296-N300 WeakPolarHBondContact O-CB 3.44Å; E296-N300 PolarHBondContact O-N 3.25Å; E296-S303 PolarHBondContact OE2-OG 3.5Å
297	T	91.3	Very high	91.8	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-65.4	-38.1	178.4	-60.6	0	0	0	0	111.7	A293 I294 Q295 K299 G301 S303 F324 A326 I336	A293-T297 VanDerWaalsContact O-CB 3.29Å; A293-T297 WeakPolarHBondContact O-CB 3.21Å; A293-T297 PolarHBondContact O-N 3.04Å; A293-T297 PolarHBondContact O-OG1 3.11Å; I294-T297 WeakPolarHBondContact O-CB 3.36Å; I294-T297 PolarHBondContact O-N 3.23Å; I294-T297 VanDerWaalsContact O-N 3.15Å; Q295-T297 VanDerWaalsContact C-N 3.33Å; T297-K299 VanDerWaalsContact C-N 3.26Å; T297-K299 PolarHBondContact O-N 2.91Å; T297-G301 WeakPolarHBondContact O-CA 3.14Å; T297-G301 PolarHBondContact O-N 3.04Å; T297-S303 VanDerWaalsContact OG1-CB 3.25Å; T297-S303 WeakPolarHBondContact OG1-CB 3.46Å; T297-S303 PolarHBondContact OG1-N 3.18Å; T297-F324 HydrophobicContact CG2-CB 4.06Å; T297-F324 WeakPolarHBondContact OG1-CB 3.18Å; T297-A326 HydrophobicContact CG2-CB 3.95Å; T297-A326 VanDerWaalsContact CG2-N 3.33Å; T297-I336 HydrophobicContact CG2-CG1 4.48Å; T297-I336 HydrophobicContact CG2-CG2 3.92Å
298	V	88.7	Confident	91.7	Very high	52 Å²	52	54.7 Å²	54.7	32%	0.315	28%	0.276	S	S	.	.	H	α-helix	trans	-60.3	-37.5	173.1	172.9	0	0	0	0	111.4	F253 I294 Q295 E296 L333 I336	F253-V298 HydrophobicContact CE1-CG2 4.33Å; I294-V298 WeakPolarHBondContact O-CG2 3.16Å; I294-V298 PolarHBondContact O-N 3.15Å; Q295-V298 PolarHBondContact O-N 2.87Å; E296-V298 VanDerWaalsContact C-N 3.35Å; E296-V298 PolarHBondContact O-N 2.97Å; V298-L333 HydrophobicContact CG1-CD2 4.26Å; V298-L333 HydrophobicContact CG2-CD2 3.92Å; V298-I336 HydrophobicContact CG2-CD1 3.78Å
299	K	86.9	Confident	91.7	Very high	164 Å²	164	48.6 Å²	48.6	71%	0.713	24%	0.243	S	C	*	.	H	α-helix	trans	-83.7	-44.6	-177.5	-68.8	174.9	-177.6	175.4	0	113.8	Q295 E296 T297	Q295-K299 WeakPolarHBondContact O-CG 3.48Å; Q295-K299 PolarHBondContact O-N 2.95Å; E296-K299 PolarHBondContact O-N 2.88Å; E296-K299 VanDerWaalsContact O-N 3.12Å; T297-K299 VanDerWaalsContact C-N 3.26Å; T297-K299 PolarHBondContact O-N 2.91Å
300	N	86.1	Confident	91.6	Very high	97 Å²	97	46.3 Å²	46.3	52%	0.519	23%	0.232	S	C	.	.	H	α-helix	trans	-108.6	-9.1	-167.7	-62.7	-16.7	0	0	0	113.1	E296 L302	E296-N300 HydrophobicContact CG-CB 4.48Å; E296-N300 WeakPolarHBondContact CG-ND2 3.47Å; E296-N300 WeakPolarHBondContact O-CB 3.44Å; E296-N300 PolarHBondContact O-N 3.25Å; N300-L302 VanDerWaalsContact C-N 3.28Å; N300-L302 PolarHBondContact O-N 3.39Å
301	G	85.9	Confident	91.2	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.01	24%	0.24	C	C	.	.	S	Bend	trans	84.8	-18.4	179.6	0	0	0	0	0	115.5	T297 T325 A326	T297-G301 WeakPolarHBondContact O-CA 3.14Å; T297-G301 PolarHBondContact O-N 3.04Å; G301-T325 WeakPolarHBondContact O-CA 3.49Å; G301-A326 PolarHBondContact O-N 2.98Å
302	L	89.5	Confident	90.5	Very high	69 Å²	69	53.1 Å²	53.1	36%	0.361	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	137.1	-177.4	-179.4	70.1	0	0	0	110.9	N300 V323 F324	N300-L302 VanDerWaalsContact C-N 3.28Å; N300-L302 PolarHBondContact O-N 3.39Å; L302-V323 HydrophobicContact CD1-CG1 3.85Å; L302-F324 CarbonylContact C-O 3.54Å; L302-F324 WeakPolarHBondContact CA-O 3.45Å; L302-F324 WeakPolarHBondContact CD1-O 3.32Å
303	S	92.1	Very high	89.7	Confident	6 Å²	6	50 Å²	50	4%	0.042	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	144.7	166.4	-172.7	0	0	0	0	110.1	A293 E296 T297 F324	A293-S303 WeakPolarHBondContact O-CB 3.08Å; E296-S303 PolarHBondContact OE2-OG 3.5Å; T297-S303 VanDerWaalsContact OG1-CB 3.25Å; T297-S303 WeakPolarHBondContact OG1-CB 3.46Å; T297-S303 PolarHBondContact OG1-N 3.18Å; S303-F324 PolarHBondContact N-O 3.29Å; S303-F324 PolarHBondContact O-N 3.33Å
304	T	93.2	Very high	89	Confident	60 Å²	60	55.5 Å²	55.5	37%	0.368	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	123.9	176.5	-64.6	0	0	0	0	109.1	R321 A322 V323	T304-R321 HydrophobicContact CG2-CG 4.16Å; T304-A322 WeakPolarHBondContact CA-O 3.19Å; T304-V323 HydrophobicContact CG2-CG2 4.15Å
305	I	94.2	Very high	88.2	Confident	20 Å²	20	60.5 Å²	60.5	10%	0.103	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	167.5	179.8	63	170.1	0	0	0	110.8	I289 V290 A293 I307 A322 F324	I289-I305 HydrophobicContact CG2-CB 4.16Å; I289-I305 HydrophobicContact CG2-CD1 4.01Å; I289-I305 HydrophobicContact CG2-CG2 4.02Å; V290-I305 HydrophobicContact CG2-CD1 3.93Å; A293-I305 HydrophobicContact CB-CD1 3.79Å; A293-I305 HydrophobicContact CB-CG1 4.29Å; A293-I305 HydrophobicContact CB-CG2 3.73Å; I305-I307 HydrophobicContact CD1-CG2 3.58Å; I305-I307 HydrophobicContact CG1-CG2 4.03Å; I305-A322 HydrophobicContact CG1-CB 3.95Å; I305-A322 PolarHBondContact N-O 3.23Å; I305-A322 PolarHBondContact O-N 3.29Å; I305-F324 HydrophobicContact CD1-CE2 3.75Å; I305-F324 HydrophobicContact CG1-CD2 4.38Å; I305-F324 HydrophobicContact CG1-CE2 3.87Å
306	F	94	Very high	87.9	Confident	93 Å²	93	62.8 Å²	62.8	41%	0.408	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	135.8	170.2	-65.9	-91.7	0	0	0	109	Y319 L320 R321 T343	F306-Y319 HydrophobicContact CB-CE1 4.47Å; F306-Y319 HydrophobicContact CB-CE2 3.94Å; F306-Y319 WeakPolarHBondContact CB-OH 3.4Å; F306-Y319 AromaticContact CD1-CE1 3.91Å; F306-Y319 HydrophobicContact CD1-CE1 3.91Å; F306-Y319 AromaticContact CD1-CZ 3.89Å; F306-Y319 WeakPolarHBondContact CG-OH 3.35Å; F306-L320 WeakPolarHBondContact CA-O 3.42Å; F306-R321 HydrophobicContact CD1-CB 3.98Å; F306-R321 HydrophobicContact CD1-CG 4.38Å; F306-R321 HydrophobicContact CE1-CB 3.76Å; F306-R321 HydrophobicContact CE1-CG 3.94Å; F306-R321 HydrophobicContact CZ-CG 4.24Å; F306-T343 HydrophobicContact CE1-CG2 4.44Å
307	I	93.6	Very high	87.7	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	149.9	-173.6	59.4	177.5	0	0	0	111	V282 E286 V290 I305 W309 L320 A322 L340	V282-I307 HydrophobicContact CG1-CB 4.11Å; V282-I307 HydrophobicContact CG1-CD1 3.81Å; V282-I307 HydrophobicContact CG1-CG1 4.42Å; V282-I307 HydrophobicContact CG1-CG2 4.44Å; E286-I307 WeakPolarHBondContact OE1-CA 3.42Å; V290-I307 HydrophobicContact CG2-CG2 3.91Å; I305-I307 HydrophobicContact CD1-CG2 3.58Å; I305-I307 HydrophobicContact CG1-CG2 4.03Å; I307-W309 HydrophobicContact CD1-CE3 4.03Å; I307-L320 HydrophobicContact CG1-CB 4.31Å; I307-L320 PolarHBondContact N-O 3.35Å; I307-L320 PolarHBondContact O-N 2.81Å; I307-A322 HydrophobicContact CD1-CB 3.92Å; I307-A322 HydrophobicContact CG1-CB 4.29Å; I307-L340 HydrophobicContact CD1-CD2 3.92Å
308	N	92.7	Very high	87.5	Confident	47 Å²	47	64.9 Å²	64.9	25%	0.251	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	95.3	168.4	-73.9	-79.2	0	0	0	108.1	V282 T283 E286 L310 V318	V282-N308 WeakPolarHBondContact CA-O 3.12Å; T283-N308 HydrophobicContact CG2-CB 3.67Å; T283-N308 PolarHBondContact N-O 3.48Å; E286-N308 VanDerWaalsContact OE1-CB 3.29Å; E286-N308 WeakPolarHBondContact OE1-CB 3.21Å; E286-N308 PolarHBondContact OE1-N 3.35Å; E286-N308 PolarHBondContact OE1-ND2 3.49Å; E286-N308 VanDerWaalsContact OE2-CA 3.31Å; E286-N308 WeakPolarHBondContact OE2-CA 3.45Å; E286-N308 VanDerWaalsContact OE2-CB 3.23Å; E286-N308 WeakPolarHBondContact OE2-CB 3.44Å; E286-N308 PolarHBondContact OE2-N 3.24Å; E286-N308 VanDerWaalsContact OE2-O 3.12Å; N308-L310 PolarHBondContact O-N 2.62Å; N308-V318 CarbonylContact C-O 3.42Å; N308-V318 WeakPolarHBondContact CA-O 3.28Å
309	W	92.5	Very high	87.6	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	121.5	178.4	-173.3	-82.3	0	0	0	111.3	L246 L266 W268 L273 V278 F281 V282 I307 S317 V318 L320 L340	L246-W309 HydrophobicContact CD1-CH2 4.13Å; L246-W309 HydrophobicContact CD1-CZ3 4.49Å; L266-W309 HydrophobicContact CD1-CZ2 4.04Å; L266-W309 HydrophobicContact CD2-CD2 4.25Å; L266-W309 HydrophobicContact CD2-CG 4.35Å; W268-W309 AromaticContact CD1-NE1 3.33Å; W268-W309 VanDerWaalsContact CD1-NE1 3.33Å; W268-W309 AromaticContact NE1-NE1 3.51Å; L273-W309 HydrophobicContact CD2-CZ2 3.87Å; V278-W309 HydrophobicContact CG1-CZ3 4.06Å; F281-W309 HydrophobicContact CB-CD2 4.02Å; F281-W309 HydrophobicContact CB-CE3 4.13Å; F281-W309 HydrophobicContact CB-CH2 3.49Å; F281-W309 VanDerWaalsContact CB-CH2 3.49Å; F281-W309 HydrophobicContact CB-CZ2 3.34Å; F281-W309 HydrophobicContact CB-CZ3 3.88Å; F281-W309 HydrophobicContact CD1-CZ2 4.17Å; F281-W309 AromaticContact CD2-CH2 3.96Å; F281-W309 HydrophobicContact CD2-CH2 3.96Å; F281-W309 HydrophobicContact CD2-CZ2 4.11Å; F281-W309 AromaticContact CG-CH2 3.86Å; F281-W309 HydrophobicContact CG-CH2 3.86Å; F281-W309 AromaticContact CG-CZ2 3.63Å; F281-W309 HydrophobicContact CG-CZ2 3.63Å; F281-W309 CarbonylContact O-C 3.42Å; F281-W309 WeakPolarHBondContact O-CA 3.43Å; V282-W309 HydrophobicContact CG1-CE3 4.35Å; I307-W309 HydrophobicContact CD1-CE3 4.03Å; W309-S317 CarbonylContact O-C 3.53Å; W309-S317 WeakPolarHBondContact O-CA 3.48Å; W309-V318 PolarHBondContact N-O 3.01Å; W309-V318 PolarHBondContact O-N 3.36Å; W309-L320 HydrophobicContact CB-CD1 3.48Å; W309-L320 VanDerWaalsContact CB-CD1 3.48Å; W309-L320 HydrophobicContact CB-CG 4.13Å; W309-L320 HydrophobicContact CD2-CD1 4.33Å; W309-L320 HydrophobicContact CG-CD1 3.88Å; W309-L340 HydrophobicContact CE3-CD1 4.02Å; W309-L340 HydrophobicContact CH2-CD1 4.11Å; W309-L340 HydrophobicContact CZ3-CD1 3.73Å
310	L	91.5	Very high	87.8	Confident	28 Å²	28	59.5 Å²	59.5	15%	0.147	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	130.5	177.7	-65	175.3	0	0	0	110.7	W268 F281 V282 T283 N308 K314	W268-L310 PolarHBondContact NE1-O 2.81Å; F281-L310 PolarHBondContact O-N 3.41Å; V282-L310 VanDerWaalsContact O-CD1 3.28Å; V282-L310 WeakPolarHBondContact O-CD1 3.33Å; T283-L310 HydrophobicContact CG2-CD2 3.96Å; N308-L310 PolarHBondContact O-N 2.62Å; L310-K314 HydrophobicContact CB-CB 4.49Å; L310-K314 HydrophobicContact CB-CG 4.32Å; L310-K314 HydrophobicContact CD1-CB 4.26Å; L310-K314 HydrophobicContact CD1-CD 4.07Å; L310-K314 HydrophobicContact CD1-CG 4.12Å
311	N	85.1	Confident	88.2	Confident	33 Å²	33	60.2 Å²	60.2	18%	0.176	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-72.1	173.9	174.7	73.5	-17.1	0	0	0	112.6	W268 G313 K314 T315 K316	W268-N311 VanDerWaalsContact CZ2-O 3.32Å; W268-N311 WeakPolarHBondContact CZ2-O 3.34Å; N311-G313 PolarHBondContact O-N 2.98Å; N311-K314 WeakPolarHBondContact O-CA 3.48Å; N311-K314 PolarHBondContact O-N 2.98Å; N311-T315 PolarHBondContact OD1-N 3.14Å; N311-T315 PolarHBondContact OD1-OG1 2.73Å; N311-K316 PolarHBondContact N-O 2.96Å; N311-K316 PolarHBondContact OD1-N 2.77Å; N311-K316 PolarHBondContact OD1-O 2.9Å
312	Y	80.1	Confident	88.6	Confident	150 Å²	150	60.1 Å²	60.1	59%	0.588	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	125.8	170.1	-169.3	-92.2	0	0	0	110.8	G267 W268	G267-Y312 WeakPolarHBondContact O-CB 3.41Å; W268-Y312 HydrophobicContact CD2-CD2 4.27Å; W268-Y312 AromaticContact CE3-CD2 3.6Å; W268-Y312 HydrophobicContact CE3-CD2 3.6Å; W268-Y312 HydrophobicContact CE3-CE2 4.28Å; W268-Y312 HydrophobicContact CH2-CD2 4.25Å; W268-Y312 AromaticContact CZ3-CD2 3.59Å; W268-Y312 HydrophobicContact CZ3-CD2 3.59Å; W268-Y312 HydrophobicContact CZ3-CE2 4.04Å; W268-Y312 HydrophobicContact CZ3-CG 4.49Å
313	G	76.8	Confident	88.7	Confident	51 Å²	51	57.7 Å²	57.7	53%	0.526	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	86	-1.1	-173	0	0	0	0	0	115.4	N311 T315	N311-G313 PolarHBondContact O-N 2.98Å; G313-T315 VanDerWaalsContact C-N 3.25Å; G313-T315 PolarHBondContact O-N 2.74Å
314	K	78.3	Confident	88.8	Confident	117 Å²	117	57.4 Å²	57.4	51%	0.509	29%	0.289	S	S	.	.	S	Bend	trans	55.7	33.5	174.9	-54.9	-171	179.7	-160	0	114.3	E280 L310 N311	E280-K314 PolarHBondContact O-NZ 3.13Å; L310-K314 HydrophobicContact CB-CB 4.49Å; L310-K314 HydrophobicContact CB-CG 4.32Å; L310-K314 HydrophobicContact CD1-CB 4.26Å; L310-K314 HydrophobicContact CD1-CD 4.07Å; L310-K314 HydrophobicContact CD1-CG 4.12Å; N311-K314 WeakPolarHBondContact O-CA 3.48Å; N311-K314 PolarHBondContact O-N 2.98Å
315	T	77.1	Confident	88.6	Confident	114 Å²	114	55 Å²	55	70%	0.699	28%	0.275	S	S	*	.	S	Bend	trans	-99.8	-25.2	-176.2	53.4	0	0	0	0	113.7	N311 G313	N311-T315 PolarHBondContact OD1-N 3.14Å; N311-T315 PolarHBondContact OD1-OG1 2.73Å; G313-T315 VanDerWaalsContact C-N 3.25Å; G313-T315 PolarHBondContact O-N 2.74Å
316	K	84.5	Confident	88.4	Confident	153 Å²	153	54.3 Å²	54.3	67%	0.665	27%	0.272	S	S	*	.			trans	-134	156.6	177.5	-57.9	-177.6	177.5	-179.2	0	109	N311	N311-K316 PolarHBondContact N-O 2.96Å; N311-K316 PolarHBondContact OD1-N 2.77Å; N311-K316 PolarHBondContact OD1-O 2.9Å
317	S	87.3	Confident	87.9	Confident	58 Å²	58	50.1 Å²	50.1	41%	0.406	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	152.8	169.3	58.9	0	0	0	0	111.8	W309	W309-S317 CarbonylContact O-C 3.53Å; W309-S317 WeakPolarHBondContact O-CA 3.48Å
318	V	87.9	Confident	87.1	Confident	49 Å²	49	54 Å²	54	30%	0.297	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	126.8	169	-176.3	0	0	0	0	107.1	N308 W309 L320	N308-V318 CarbonylContact C-O 3.42Å; N308-V318 WeakPolarHBondContact CA-O 3.28Å; W309-V318 PolarHBondContact N-O 3.01Å; W309-V318 PolarHBondContact O-N 3.36Å; V318-L320 HydrophobicContact CB-CD2 4.45Å; V318-L320 HydrophobicContact CB-CG 4.45Å; V318-L320 HydrophobicContact CG1-CD2 3.63Å; V318-L320 HydrophobicContact CG1-CG 4.1Å; V318-L320 PolarHBondContact O-N 2.88Å
319	Y	90.3	Very high	85.9	Confident	103 Å²	103	53.6 Å²	53.6	40%	0.404	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	121.5	175.7	-169.1	-113.4	0	0	0	109.3	F306 T343	F306-Y319 HydrophobicContact CB-CE1 4.47Å; F306-Y319 HydrophobicContact CB-CE2 3.94Å; F306-Y319 WeakPolarHBondContact CB-OH 3.4Å; F306-Y319 AromaticContact CD1-CE1 3.91Å; F306-Y319 HydrophobicContact CD1-CE1 3.91Å; F306-Y319 AromaticContact CD1-CZ 3.89Å; F306-Y319 WeakPolarHBondContact CG-OH 3.35Å; Y319-T343 WeakPolarHBondContact CD1-OG1 3.26Å; Y319-T343 PolarHBondContact O-OG1 3.31Å
320	L	92	Very high	84.9	Confident	0 Å²	0	58 Å²	58	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	148.5	-174.1	-60.1	179.3	0	0	0	110.5	I265 L266 F306 I307 W309 V318 L340 Y341	I265-L320 HydrophobicContact CG2-CD2 4.49Å; L266-L320 HydrophobicContact CD2-CD1 3.44Å; L266-L320 VanDerWaalsContact CD2-CD1 3.44Å; F306-L320 WeakPolarHBondContact CA-O 3.42Å; I307-L320 HydrophobicContact CG1-CB 4.31Å; I307-L320 PolarHBondContact N-O 3.35Å; I307-L320 PolarHBondContact O-N 2.81Å; W309-L320 HydrophobicContact CB-CD1 3.48Å; W309-L320 VanDerWaalsContact CB-CD1 3.48Å; W309-L320 HydrophobicContact CB-CG 4.13Å; W309-L320 HydrophobicContact CD2-CD1 4.33Å; W309-L320 HydrophobicContact CG-CD1 3.88Å; V318-L320 HydrophobicContact CB-CD2 4.45Å; V318-L320 HydrophobicContact CB-CG 4.45Å; V318-L320 HydrophobicContact CG1-CD2 3.63Å; V318-L320 HydrophobicContact CG1-CG 4.1Å; V318-L320 PolarHBondContact O-N 2.88Å; L320-L340 HydrophobicContact CD1-CB 4.33Å; L320-L340 HydrophobicContact CD1-CD2 4.47Å; L320-Y341 WeakPolarHBondContact CA-O 3.26Å; L320-Y341 WeakPolarHBondContact CD2-O 3.14Å
321	R	93.6	Very high	83.9	Confident	112 Å²	112	63.1 Å²	63.1	42%	0.423	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	122	163.4	179	-176.6	173.6	-170.2	-1.2	108.4	T304 F306 V323 Y341 T343	T304-R321 HydrophobicContact CG2-CG 4.16Å; F306-R321 HydrophobicContact CD1-CB 3.98Å; F306-R321 HydrophobicContact CD1-CG 4.38Å; F306-R321 HydrophobicContact CE1-CB 3.76Å; F306-R321 HydrophobicContact CE1-CG 3.94Å; F306-R321 HydrophobicContact CZ-CG 4.24Å; R321-V323 HydrophobicContact CG-CG2 4.4Å; R321-Y341 PolarHBondContact N-O 2.95Å; R321-Y341 PolarHBondContact O-N 2.86Å; R321-T343 HydrophobicContact CB-CG2 4.02Å
322	A	93.9	Very high	83.4	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	125.9	176.2	0	0	0	0	0	110.3	T304 I305 I307 F324 K339 L340	T304-A322 WeakPolarHBondContact CA-O 3.19Å; I305-A322 HydrophobicContact CG1-CB 3.95Å; I305-A322 PolarHBondContact N-O 3.23Å; I305-A322 PolarHBondContact O-N 3.29Å; I307-A322 HydrophobicContact CD1-CB 3.92Å; I307-A322 HydrophobicContact CG1-CB 4.29Å; A322-F324 HydrophobicContact CB-CD2 4.38Å; A322-F324 HydrophobicContact CB-CE2 3.76Å; A322-F324 HydrophobicContact CB-CZ 4.49Å; A322-K339 WeakPolarHBondContact CA-O 3.45Å; A322-L340 HydrophobicContact CB-CD2 3.61Å
323	V	92.7	Very high	83.6	Confident	18 Å²	18	59.9 Å²	59.9	11%	0.109	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	109.4	176.3	-177.6	0	0	0	0	108.3	L302 T304 R321 C338 K339 Y341	L302-V323 HydrophobicContact CD1-CG1 3.85Å; T304-V323 HydrophobicContact CG2-CG2 4.15Å; R321-V323 HydrophobicContact CG-CG2 4.4Å; V323-C338 CarbonylContact O-C 3.55Å; V323-C338 WeakPolarHBondContact O-CA 2.91Å; V323-K339 HydrophobicContact CB-CB 4.44Å; V323-K339 PolarHBondContact N-O 3.25Å; V323-K339 PolarHBondContact O-N 2.98Å; V323-Y341 HydrophobicContact CB-CE2 4.3Å; V323-Y341 HydrophobicContact CG2-CD2 4.2Å; V323-Y341 HydrophobicContact CG2-CE2 3.81Å
324	F	92.8	Very high	83.6	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	126.9	177.2	-67.8	-95.8	0	0	0	109.6	I248 V278 V290 A293 I294 T297 L302 S303 I305 A322 I336 T337 C338	I248-F324 HydrophobicContact CD1-CD1 4.21Å; I248-F324 HydrophobicContact CD1-CE1 3.92Å; V278-F324 HydrophobicContact CG1-CZ 4.4Å; V290-F324 HydrophobicContact CG1-CZ 4.21Å; A293-F324 HydrophobicContact CB-CD2 4.11Å; A293-F324 HydrophobicContact CB-CE2 4.21Å; I294-F324 HydrophobicContact CD1-CE1 4.35Å; I294-F324 HydrophobicContact CG1-CD1 4.07Å; I294-F324 HydrophobicContact CG1-CE1 3.79Å; I294-F324 HydrophobicContact CG1-CZ 4.5Å; T297-F324 HydrophobicContact CG2-CB 4.06Å; T297-F324 WeakPolarHBondContact OG1-CB 3.18Å; L302-F324 CarbonylContact C-O 3.54Å; L302-F324 WeakPolarHBondContact CA-O 3.45Å; L302-F324 WeakPolarHBondContact CD1-O 3.32Å; S303-F324 PolarHBondContact N-O 3.29Å; S303-F324 PolarHBondContact O-N 3.33Å; I305-F324 HydrophobicContact CD1-CE2 3.75Å; I305-F324 HydrophobicContact CG1-CD2 4.38Å; I305-F324 HydrophobicContact CG1-CE2 3.87Å; A322-F324 HydrophobicContact CB-CD2 4.38Å; A322-F324 HydrophobicContact CB-CE2 3.76Å; A322-F324 HydrophobicContact CB-CZ 4.49Å; F324-I336 HydrophobicContact CB-CG2 4.34Å; F324-I336 HydrophobicContact CD1-CG2 4.06Å; F324-T337 CarbonylContact C-O 3.42Å; F324-T337 VanDerWaalsContact CA-O 3.31Å; F324-T337 WeakPolarHBondContact CA-O 3.44Å; F324-C338 HydrophobicContact CD1-CB 3.81Å; F324-C338 HydrophobicContact CE1-CB 3.73Å; F324-C338 HydrophobicContact CG-CB 4.44Å; F324-C338 HydrophobicContact CZ-CB 4.28Å
325	T	90.6	Very high	84.1	Confident	10 Å²	10	53.4 Å²	53.4	6%	0.061	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	129.4	179	-51	0	0	0	0	109.7	I219 G301 I336 T337	I219-T325 HydrophobicContact CG2-CG2 3.89Å; I219-T325 WeakPolarHBondContact O-CG2 3.48Å; G301-T325 WeakPolarHBondContact O-CA 3.49Å; T325-I336 CarbonylContact O-C 3.49Å; T325-I336 WeakPolarHBondContact O-CA 3.39Å; T325-T337 PolarHBondContact N-O 2.9Å; T325-T337 PolarHBondContact O-N 2.91Å; T325-T337 PolarHBondContact O-OG1 3.33Å
326	A	88.7	Confident	84.7	Confident	4 Å²	4	48 Å²	48	3%	0.033	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	131.2	172.4	0	0	0	0	0	109.8	T297 G301 Q328 L333	T297-A326 HydrophobicContact CG2-CB 3.95Å; T297-A326 VanDerWaalsContact CG2-N 3.33Å; G301-A326 PolarHBondContact O-N 2.98Å; A326-Q328 HydrophobicContact CB-CG 4.17Å; A326-L333 HydrophobicContact CB-CD1 3.63Å
327	I	84.9	Confident	85.1	Confident	5 Å²	5	40.7 Å²	40.7	3%	0.026	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	104.2	165.9	-60.7	-173.2	0	0	0	106.3	L217 I219 Y334 C335 T337	L217-I327 HydrophobicContact CB-CD1 4.21Å; L217-I327 HydrophobicContact CB-CG2 4.01Å; L217-I327 HydrophobicContact CD1-CG2 4.42Å; L217-I327 HydrophobicContact CD2-CG2 4.22Å; L217-I327 HydrophobicContact CG-CG2 4.46Å; I219-I327 HydrophobicContact CG1-CD1 4.42Å; I327-Y334 WeakPolarHBondContact O-CB 3.37Å; I327-Y334 PolarHBondContact O-N 2.81Å; I327-C335 PolarHBondContact N-O 2.85Å; I327-T337 HydrophobicContact CD1-CG2 3.55Å; I327-T337 HydrophobicContact CG1-CG2 4.16Å
328	Q	76.2	Confident	85.3	Confident	83 Å²	83	37.9 Å²	37.9	39%	0.388	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	138.8	178	-69.4	176	-12.1	0	0	109.4	A326 F332 L333	A326-Q328 HydrophobicContact CB-CG 4.17Å; Q328-F332 VanDerWaalsContact CA-O 3.31Å; Q328-F332 WeakPolarHBondContact CA-O 3.33Å; Q328-L333 HydrophobicContact CG-CB 4.39Å; Q328-L333 HydrophobicContact CG-CD1 3.64Å
329	L	68.1	Low	85.5	Confident	37 Å²	37	36.4 Å²	36.4	19%	0.194	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	119.3	164.7	-166.9	71.8	0	0	0	106.8	R215 T331 F332 Y334 L547 L550	R215-L329 VanDerWaalsContact NH1-CD1 3.3Å; L329-T331 PolarHBondContact O-N 3.13Å; L329-F332 PolarHBondContact N-O 2.76Å; L329-F332 PolarHBondContact O-N 2.99Å; L329-Y334 HydrophobicContact CB-CD2 3.81Å; L329-Y334 HydrophobicContact CB-CE2 3.41Å; L329-Y334 VanDerWaalsContact CB-CE2 3.41Å; L329-Y334 HydrophobicContact CD2-CE2 3.97Å; L329-Y334 HydrophobicContact CG-CE2 4.35Å; L329-L547 HydrophobicContact CD2-CD2 4.01Å; L329-L550 HydrophobicContact CD2-CD1 3.86Å; L329-L550 HydrophobicContact CG-CD1 4.35Å
330	N	69.8	Low	85.6	Confident	93 Å²	93	31.5 Å²	31.5	50%	0.497	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.5	-113.6	-172	-58.3	-2.5	0	0	0	110.5	E549	N330-E549 PolarHBondContact ND2-OE2 3.23Å
331	T	72.2	Confident	85.5	Confident	136 Å²	136	33.9 Å²	33.9	83%	0.834	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-5.7	-179.4	55.7	0	0	0	0	113.4	L329	L329-T331 PolarHBondContact O-N 3.13Å
332	F	74.7	Confident	85	Confident	84 Å²	84	31 Å²	31	37%	0.368	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	123.8	-174.1	-170.4	-96.6	0	0	0	111.7	Q328 L329 Y334	Q328-F332 VanDerWaalsContact CA-O 3.31Å; Q328-F332 WeakPolarHBondContact CA-O 3.33Å; L329-F332 PolarHBondContact N-O 2.76Å; L329-F332 PolarHBondContact O-N 2.99Å; F332-Y334 AromaticContact CD1-CD2 3.55Å; F332-Y334 HydrophobicContact CD1-CD2 3.55Å; F332-Y334 AromaticContact CD1-CE2 3.53Å; F332-Y334 HydrophobicContact CD1-CE2 3.53Å; F332-Y334 HydrophobicContact CD1-CG 4.11Å; F332-Y334 HydrophobicContact CE1-CD1 4.48Å; F332-Y334 HydrophobicContact CE1-CD2 4.17Å; F332-Y334 HydrophobicContact CE1-CE2 4.24Å; F332-Y334 HydrophobicContact CE1-CG 4.29Å; F332-Y334 HydrophobicContact CG-CE2 4.46Å; F332-Y334 PolarHBondContact O-N 3.38Å
333	L	82.5	Confident	83.8	Confident	30 Å²	30	32.6 Å²	32.6	16%	0.157	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	116.8	170.8	-176.9	69.8	0	0	0	109.1	V250 V298 A326 Q328 I336	V250-L333 HydrophobicContact CB-CD2 4.27Å; V250-L333 HydrophobicContact CG1-CB 4.31Å; V250-L333 HydrophobicContact CG1-CD2 3.74Å; V250-L333 HydrophobicContact CG1-CG 3.6Å; V250-L333 WeakPolarHBondContact CG1-O 3.36Å; V298-L333 HydrophobicContact CG1-CD2 4.26Å; V298-L333 HydrophobicContact CG2-CD2 3.92Å; A326-L333 HydrophobicContact CB-CD1 3.63Å; Q328-L333 HydrophobicContact CG-CB 4.39Å; Q328-L333 HydrophobicContact CG-CD1 3.64Å; L333-I336 HydrophobicContact CD2-CG1 4.47Å
334	Y	78.5	Confident	81.9	Confident	30 Å²	30	40.7 Å²	40.7	12%	0.118	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	-51.3	179.4	-91.1	-96.8	0	0	0	112.4	E190 R215 V250 I327 L329 F332 L547	E190-Y334 WeakPolarHBondContact OE1-CE1 3.24Å; R215-Y334 VanDerWaalsContact NH2-CZ 3.26Å; R215-Y334 PolarHBondContact NH2-OH 2.88Å; V250-Y334 VanDerWaalsContact CG1-C 3.42Å; V250-Y334 VanDerWaalsContact CG1-O 3.27Å; V250-Y334 WeakPolarHBondContact CG1-O 3.39Å; I327-Y334 WeakPolarHBondContact O-CB 3.37Å; I327-Y334 PolarHBondContact O-N 2.81Å; L329-Y334 HydrophobicContact CB-CD2 3.81Å; L329-Y334 HydrophobicContact CB-CE2 3.41Å; L329-Y334 VanDerWaalsContact CB-CE2 3.41Å; L329-Y334 HydrophobicContact CD2-CE2 3.97Å; L329-Y334 HydrophobicContact CG-CE2 4.35Å; F332-Y334 AromaticContact CD1-CD2 3.55Å; F332-Y334 HydrophobicContact CD1-CD2 3.55Å; F332-Y334 AromaticContact CD1-CE2 3.53Å; F332-Y334 HydrophobicContact CD1-CE2 3.53Å; F332-Y334 HydrophobicContact CD1-CG 4.11Å; F332-Y334 HydrophobicContact CE1-CD1 4.48Å; F332-Y334 HydrophobicContact CE1-CD2 4.17Å; F332-Y334 HydrophobicContact CE1-CE2 4.24Å; F332-Y334 HydrophobicContact CE1-CG 4.29Å; F332-Y334 HydrophobicContact CG-CE2 4.46Å; F332-Y334 PolarHBondContact O-N 3.38Å; Y334-L547 WeakPolarHBondContact OH-CD1 3.39Å
335	C	87	Confident	79.2	Confident	2 Å²	2	48.2 Å²	48.2	1%	0.014	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	170.9	178.1	61.7	0	0	0	0	110.6	R247 I248 I327	R247-C335 HydrophobicContact CG-CB 3.86Å; I248-C335 WeakPolarHBondContact O-CB 3.4Å; I327-C335 PolarHBondContact N-O 2.85Å
336	I	91	Very high	76.2	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	131.9	169.9	-60.2	169.4	0	0	0	107.3	I248 F253 I294 T297 V298 F324 T325 L333	I248-I336 HydrophobicContact CB-CB 4.2Å; I248-I336 WeakPolarHBondContact CB-O 3.46Å; I248-I336 HydrophobicContact CD1-CG2 4.37Å; I248-I336 PolarHBondContact N-O 3.18Å; I248-I336 PolarHBondContact O-N 3.36Å; F253-I336 HydrophobicContact CD1-CD1 4.47Å; F253-I336 HydrophobicContact CE1-CD1 4.19Å; I294-I336 HydrophobicContact CG2-CD1 3.89Å; T297-I336 HydrophobicContact CG2-CG1 4.48Å; T297-I336 HydrophobicContact CG2-CG2 3.92Å; V298-I336 HydrophobicContact CG2-CD1 3.78Å; F324-I336 HydrophobicContact CB-CG2 4.34Å; F324-I336 HydrophobicContact CD1-CG2 4.06Å; T325-I336 CarbonylContact O-C 3.49Å; T325-I336 WeakPolarHBondContact O-CA 3.39Å; L333-I336 HydrophobicContact CD2-CG1 4.47Å
337	T	92	Very high	73.2	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	133.2	171	60.5	0	0	0	0	109.9	F188 L246 F324 T325 I327	F188-T337 HydrophobicContact CD2-CG2 4.37Å; F188-T337 HydrophobicContact CE2-CG2 3.94Å; L246-T337 CarbonylContact O-C 3.56Å; L246-T337 VanDerWaalsContact O-CA 3.28Å; L246-T337 WeakPolarHBondContact O-CA 3.29Å; F324-T337 CarbonylContact C-O 3.42Å; F324-T337 VanDerWaalsContact CA-O 3.31Å; F324-T337 WeakPolarHBondContact CA-O 3.44Å; T325-T337 PolarHBondContact N-O 2.9Å; T325-T337 PolarHBondContact O-N 2.91Å; T325-T337 PolarHBondContact O-OG1 3.33Å; I327-T337 HydrophobicContact CD1-CG2 3.55Å; I327-T337 HydrophobicContact CG1-CG2 4.16Å
338	C	93.1	Very high	70.6	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	110.4	173.2	173.6	0	0	0	0	109.7	T245 L246 I248 V323 F324	T245-C338 WeakPolarHBondContact CA-O 3.49Å; L246-C338 HydrophobicContact CB-CB 4.25Å; L246-C338 PolarHBondContact N-O 3.36Å; L246-C338 PolarHBondContact O-N 3.41Å; I248-C338 HydrophobicContact CD1-CB 3.98Å; V323-C338 CarbonylContact O-C 3.55Å; V323-C338 WeakPolarHBondContact O-CA 2.91Å; F324-C338 HydrophobicContact CD1-CB 3.81Å; F324-C338 HydrophobicContact CE1-CB 3.73Å; F324-C338 HydrophobicContact CG-CB 4.44Å; F324-C338 HydrophobicContact CZ-CB 4.28Å
339	K	91.7	Very high	68.2	Low	17 Å²	17	67.3 Å²	67.3	7%	0.074	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	117.9	173.4	-65	-175.2	178.1	-177	0	109.6	C177 T245 A322 V323 Y341	C177-K339 PolarHBondContact O-NZ 2.85Å; C177-K339 VanDerWaalsContact O-NZ 3.13Å; T245-K339 HydrophobicContact CG2-CG 4.1Å; A322-K339 WeakPolarHBondContact CA-O 3.45Å; V323-K339 HydrophobicContact CB-CB 4.44Å; V323-K339 PolarHBondContact N-O 3.25Å; V323-K339 PolarHBondContact O-N 2.98Å; K339-Y341 HydrophobicContact CB-CD2 4.38Å; K339-Y341 HydrophobicContact CB-CE2 3.55Å; K339-Y341 WeakPolarHBondContact CD-OH 3.31Å
340	L	92.3	Very high	66.2	Low	0 Å²	0	75.1 Å²	75.1	0%	0	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	111.3	-178.9	-65.7	173.1	0	0	0	109.8	H243 V244 L246 L266 I307 W309 L320 A322	H243-L340 WeakPolarHBondContact CA-O 3.49Å; H243-L340 VanDerWaalsContact CB-O 3.26Å; H243-L340 WeakPolarHBondContact CB-O 3.46Å; V244-L340 PolarHBondContact N-O 2.81Å; V244-L340 VanDerWaalsContact N-O 3.11Å; V244-L340 PolarHBondContact O-N 2.8Å; L246-L340 HydrophobicContact CD1-CD1 3.74Å; L246-L340 HydrophobicContact CG-CD1 4.18Å; L266-L340 HydrophobicContact CD1-CD1 3.86Å; L266-L340 HydrophobicContact CD2-CB 4.19Å; L266-L340 HydrophobicContact CD2-CD1 3.69Å; L266-L340 HydrophobicContact CG-CD1 4.45Å; I307-L340 HydrophobicContact CD1-CD2 3.92Å; W309-L340 HydrophobicContact CE3-CD1 4.02Å; W309-L340 HydrophobicContact CH2-CD1 4.11Å; W309-L340 HydrophobicContact CZ3-CD1 3.73Å; L320-L340 HydrophobicContact CD1-CB 4.33Å; L320-L340 HydrophobicContact CD1-CD2 4.47Å; A322-L340 HydrophobicContact CB-CD2 3.61Å
341	Y	89.8	Confident	64.3	Low	50 Å²	50	76 Å²	76	20%	0.196	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	129.8	-179.6	-60.7	-91.5	0	0	0	110.4	S241 H243 L320 R321 V323 K339 T343	S241-Y341 WeakPolarHBondContact OG-CD1 3.5Å; H243-Y341 HydrophobicContact CB-CD1 3.64Å; H243-Y341 HydrophobicContact CB-CE1 3.76Å; H243-Y341 HydrophobicContact CB-CG 4.17Å; H243-Y341 AromaticContact CG-CE1 3.85Å; H243-Y341 AromaticContact ND1-CE1 3.96Å; L320-Y341 WeakPolarHBondContact CA-O 3.26Å; L320-Y341 WeakPolarHBondContact CD2-O 3.14Å; R321-Y341 PolarHBondContact N-O 2.95Å; R321-Y341 PolarHBondContact O-N 2.86Å; V323-Y341 HydrophobicContact CB-CE2 4.3Å; V323-Y341 HydrophobicContact CG2-CD2 4.2Å; V323-Y341 HydrophobicContact CG2-CE2 3.81Å; K339-Y341 HydrophobicContact CB-CD2 4.38Å; K339-Y341 HydrophobicContact CB-CE2 3.55Å; K339-Y341 WeakPolarHBondContact CD-OH 3.31Å; Y341-T343 PolarHBondContact O-N 3.48Å
342	S	82.6	Confident	62.3	Low	51 Å²	51	78.1 Å²	78.1	36%	0.357	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	121.8	167.3	-173.4	0	0	0	0	109.4
343	T	68.6	Low	60.2	Low	35 Å²	35	80 Å²	80	22%	0.215	44%	0.44	C	S	.	.			trans	-91.3	102.5	171.8	56	0	0	0	0	108.7	F306 Y319 R321 Y341 F345	F306-T343 HydrophobicContact CE1-CG2 4.44Å; Y319-T343 WeakPolarHBondContact CD1-OG1 3.26Å; Y319-T343 PolarHBondContact O-OG1 3.31Å; R321-T343 HydrophobicContact CB-CG2 4.02Å; Y341-T343 PolarHBondContact O-N 3.48Å; T343-F345 VanDerWaalsContact C-N 3.25Å; T343-F345 PolarHBondContact O-N 2.78Å
344	E	53.7	Low	57.7	Low	187 Å²	187	87.7 Å²	87.7	87%	0.874	48%	0.475	S	S	*	.			trans	-71.6	86.3	161.2	-68.5	-175.1	179.6	0	0	108.2
345	F	36.1	Very low	55.4	Low	159 Å²	159	91 Å²	91	70%	0.697	50%	0.501	S	S	*	.			trans	-84.8	127.6	157.3	-89.3	-81.2	0	0	0	107.6	T343 A347	T343-F345 VanDerWaalsContact C-N 3.25Å; T343-F345 PolarHBondContact O-N 2.78Å; F345-A347 PolarHBondContact O-N 3.3Å; F345-A347 VanDerWaalsContact O-N 3.16Å
346	P	27.3	Very low	52.7	Low	112 Å²	112	99.2 Å²	99.2	73%	0.727	54%	0.539	S	S	*	.			trans	-59.3	125.9	169.2	26	-29.7	0	0	0	106.6	L348	P346-L348 PolarHBondContact O-N 2.74Å
347	A	26	Very low	49.9	Very low	95 Å²	95	105.3 Å²	105.3	79%	0.785	58%	0.576	S	S	*	*			trans	-43.7	116.5	175.6	0	0	0	0	0	109	F345 T349	F345-A347 PolarHBondContact O-N 3.3Å; F345-A347 VanDerWaalsContact O-N 3.16Å; A347-T349 PolarHBondContact O-N 3.18Å
348	L	28.7	Very low	46.9	Very low	169 Å²	169	111 Å²	111	89%	0.885	61%	0.613	S	S	*	*			trans	-57.2	110.1	162.8	-83.5	163.9	0	0	0	105.6	P346 Q350	P346-L348 PolarHBondContact O-N 2.74Å; L348-Q350 PolarHBondContact O-N 2.82Å
349	T	27.2	Very low	44.1	Very low	127 Å²	127	118.1 Å²	118.1	78%	0.779	66%	0.656	S	S	*	*			trans	-44	123.7	171.1	0.1	0	0	0	0	108.1	A347 S351	A347-T349 PolarHBondContact O-N 3.18Å; T349-S351 VanDerWaalsContact C-N 3.26Å; T349-S351 PolarHBondContact O-N 2.83Å
350	Q	26.3	Very low	41.2	Very low	201 Å²	201	126.2 Å²	126.2	94%	0.939	69%	0.692	S	S	*	*			trans	-56.8	95.2	164.6	-70.8	175.3	-10.2	0	0	107.6	L348	L348-Q350 PolarHBondContact O-N 2.82Å
351	S	29.5	Very low	38.4	Very low	111 Å²	111	135.5 Å²	135.5	78%	0.776	73%	0.732	S	S	*	*			trans	-90.4	111.5	160.1	59	0	0	0	0	107.2	T349	T349-S351 VanDerWaalsContact C-N 3.26Å; T349-S351 PolarHBondContact O-N 2.83Å
352	E	29.6	Very low	35.6	Very low	180 Å²	180	138.6 Å²	138.6	84%	0.841	76%	0.761	S	S	*	*			trans	-35.3	142.4	170.4	-159.3	169.6	-171.9	0	0	113.8	E354	E352-E354 PolarHBondContact O-N 3.48Å
353	P	29.9	Very low	33.4	Very low	125 Å²	125	140.9 Å²	140.9	81%	0.812	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-79.3	117.8	-171.8	31.4	-31.1	0	0	0	110.7
354	E	31.2	Very low	31.9	Very low	190 Å²	190	146.5 Å²	146.5	89%	0.888	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-93.1	136.3	169.4	-146.9	-179.4	-167.6	0	0	110.7	E352	E352-E354 PolarHBondContact O-N 3.48Å
355	P	29.4	Very low	30.9	Very low	101 Å²	101	148.6 Å²	148.6	66%	0.656	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-92.6	145.5	-163.9	0.5	20.8	0	0	0	113.9
356	Q	31.2	Very low	30.7	Very low	173 Å²	173	146 Å²	146	81%	0.808	81%	0.807	S	S	*	*			trans	71.1	117.8	147.7	-57.7	173.7	28.7	0	0	119.1
357	T	31.5	Very low	30.9	Very low	128 Å²	128	150.1 Å²	150.1	79%	0.785	81%	0.813	S	S	*	*				-177.2	136.9	93.2	22	0	0	0	0	110.8
358	P	28.8	Very low	31.1	Very low	120 Å²	120	153.5 Å²	153.5	78%	0.779	82%	0.817	S	S	*	*			trans	-91.6	136.7	-175.4	34.7	-29.5	0	0	0	111.3
359	V	34.8	Very low	31	Very low	149 Å²	149	154.6 Å²	154.6	90%	0.903	82%	0.818	S	S	*	*			trans	-120.4	123.7	167.4	-178.2	0	0	0	0	110.1
360	F	30.4	Very low	31.2	Very low	187 Å²	187	154.8 Å²	154.8	82%	0.82	82%	0.818	S	S	*	*			trans	-73.6	168.3	-169.5	-117.7	-100.4	0	0	0	115.7
361	K	33.9	Very low	31.5	Very low	196 Å²	196	150.6 Å²	150.6	85%	0.852	81%	0.807	S	S	*	*			trans	109.1	127.1	156.1	-62.6	179.6	-177.1	-178.8	0	113.2
362	S	32.1	Very low	31.4	Very low	115 Å²	115	152 Å²	152	80%	0.804	81%	0.806	S	S	*	*			cis	-167.8	160.3	10.9	-168.6	0	0	0	0	107.7
363	P	36.2	Very low	31.4	Very low	98 Å²	98	150.6 Å²	150.6	64%	0.636	80%	0.804	S	S	*	*			trans	-104.9	168.5	-152.6	40.3	-32.1	0	0	0	113.8
364	D	36.3	Very low	31.4	Very low	153 Å²	153	153.9 Å²	153.9	82%	0.818	81%	0.808	S	S	*	*			trans	-163.8	148.6	138.8	-93.4	-29.4	0	0	0	111.7
365	Y	32.7	Very low	31.2	Very low	231 Å²	231	151.5 Å²	151.5	91%	0.906	81%	0.807	S	S	*	*			trans	87.7	78.8	-175	-69.2	-83.8	0	0	0	117.5
366	S	32.2	Very low	31.2	Very low	106 Å²	106	154.4 Å²	154.4	74%	0.741	82%	0.815	S	S	*	*			trans	-82	150	164.6	-59.5	0	0	0	0	112.5
367	K	31	Very low	31.2	Very low	197 Å²	197	149.9 Å²	149.9	86%	0.857	81%	0.807	S	S	*	*			trans	73.9	108.4	148.2	-75.7	173.5	176.2	179.7	0	118.2
368	L	29.6	Very low	31.1	Very low	166 Å²	166	150.2 Å²	150.2	87%	0.869	81%	0.812	S	S	*	*				-158.3	101.3	106.3	-94.2	161.4	0	0	0	108.7
369	Q	26.5	Very low	31	Very low	192 Å²	192	153.4 Å²	153.4	90%	0.897	81%	0.814	S	S	*	*			trans	-93.1	125	157.6	-88.1	-174.5	-31.8	0	0	107.1
370	V	31.6	Very low	30.7	Very low	131 Å²	131	152 Å²	152	79%	0.794	80%	0.801	S	S	*	*			trans	-121.3	128.4	157.8	176.7	0	0	0	0	107.3
371	T	32.2	Very low	30.6	Very low	113 Å²	113	154.5 Å²	154.5	69%	0.693	81%	0.805	S	S	*	*			trans	-79.7	139.8	-175.6	44.6	0	0	0	0	112.7
372	N	28.5	Very low	30.3	Very low	142 Å²	142	151.3 Å²	151.3	76%	0.759	80%	0.797	S	S	*	*			trans	47.3	135.6	137.8	-62.8	-2.4	0	0	0	122
373	N	29.2	Very low	29.9	Very low	150 Å²	150	153.1 Å²	153.1	80%	0.802	80%	0.798	S	S	*	*			trans	83.6	84.9	150.2	-62.1	-8.1	0	0	0	117.9
374	E	30.8	Very low	29.5	Very low	193 Å²	193	153.5 Å²	153.5	90%	0.902	80%	0.803	S	S	*	*			trans	-141.2	128.2	136.1	-72.5	-165.4	152.5	0	0	110.8
375	T	27.3	Very low	29.1	Very low	141 Å²	141	154.7 Å²	154.7	87%	0.865	80%	0.801	S	S	*	*			trans	-73.4	125.9	175.9	-57.7	0	0	0	0	109.9
376	I	29.3	Very low	28.7	Very low	162 Å²	162	151.1 Å²	151.1	83%	0.831	80%	0.798	S	S	*	*			trans	-127.5	131.8	163.6	-59.5	179.5	0	0	0	108.2
377	A	30.1	Very low	28.5	Very low	77 Å²	77	155 Å²	155	64%	0.636	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-57	156	-171.2	0	0	0	0	0	114.3	F379	A377-F379 PolarHBondContact O-N 3.03Å
378	P	29.4	Very low	28.1	Very low	135 Å²	135	153 Å²	153	88%	0.877	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-67.1	125	175.1	29	-32.4	0	0	0	110
379	F	27.3	Very low	28.1	Very low	188 Å²	188	150 Å²	150	83%	0.825	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-80.1	120.5	176	-161.7	-94.9	0	0	0	109.4	A377	A377-F379 PolarHBondContact O-N 3.03Å
380	D	29.1	Very low	28	Very low	118 Å²	118	147.8 Å²	147.8	63%	0.631	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-72.6	132	177.5	-166.4	-7.8	0	0	0	110.2	N382	D380-N382 VanDerWaalsContact C-N 3.31Å; D380-N382 PolarHBondContact O-N 3.06Å; D380-N382 PolarHBondContact OD1-N 3.18Å; D380-N382 PolarHBondContact OD1-ND2 2.75Å
381	W	28	Very low	27.9	Very low	241 Å²	241	146.7 Å²	146.7	91%	0.913	78%	0.778	S	S	*	*			trans	-93.5	25.9	-176.3	-101.6	70.1	0	0	0	112.9
382	N	26.4	Very low	27.6	Very low	128 Å²	128	151.2 Å²	151.2	68%	0.684	79%	0.789	S	S	*	*			trans	-114.9	76	176.9	-72.3	-52.3	0	0	0	111	D380	D380-N382 VanDerWaalsContact C-N 3.31Å; D380-N382 PolarHBondContact O-N 3.06Å; D380-N382 PolarHBondContact OD1-N 3.18Å; D380-N382 PolarHBondContact OD1-ND2 2.75Å
383	D	25.4	Very low	27.7	Very low	154 Å²	154	151.9 Å²	151.9	82%	0.824	79%	0.79	S	S	*	*			trans	-171.5	129.3	152.5	-93.8	-28.1	0	0	0	109.3
384	S	26.7	Very low	27.6	Very low	106 Å²	106	153.9 Å²	153.9	74%	0.741	79%	0.792	S	S	*	*			trans	86	107	-174.6	-35	0	0	0	0	112.4
385	F	28.1	Very low	27.4	Very low	178 Å²	178	150.6 Å²	150.6	78%	0.781	79%	0.79	S	S	*	*			cis	-148.6	107.8	47.5	-81.6	-99	0	0	0	110.5	Y387	F385-Y387 AromaticContact CD1-CD2 3.84Å; F385-Y387 HydrophobicContact CD1-CD2 3.84Å; F385-Y387 AromaticContact CD1-CE2 3.79Å; F385-Y387 HydrophobicContact CD1-CE2 3.79Å; F385-Y387 HydrophobicContact CE1-CE2 4.2Å
386	N	24.7	Very low	27.5	Very low	155 Å²	155	150.1 Å²	150.1	83%	0.829	79%	0.787	S	S	*	*			trans	-93.6	107.7	157.4	-112.3	-26.2	0	0	0	106.7
387	Y	27.7	Very low	27.4	Very low	189 Å²	189	151 Å²	151	74%	0.741	79%	0.788	S	S	*	*			trans	-129.3	80.5	161.4	-81.7	-76.5	0	0	0	109.4	F385	F385-Y387 AromaticContact CD1-CD2 3.84Å; F385-Y387 HydrophobicContact CD1-CD2 3.84Å; F385-Y387 AromaticContact CD1-CE2 3.79Å; F385-Y387 HydrophobicContact CD1-CE2 3.79Å; F385-Y387 HydrophobicContact CE1-CE2 4.2Å
388	N	23.6	Very low	27.4	Very low	154 Å²	154	157.5 Å²	157.5	82%	0.824	80%	0.802	S	S	*	*			trans	-100	102.4	148.1	-91	-21.3	0	0	0	106.5
389	T	28.2	Very low	27.3	Very low	103 Å²	103	156.7 Å²	156.7	63%	0.632	80%	0.8	S	S	*	*			trans	-155.8	99.1	160.8	10.3	0	0	0	0	111.2	T391	T389-T391 PolarHBondContact O-N 2.79Å
390	T	25.5	Very low	27.3	Very low	146 Å²	146	156 Å²	156	90%	0.896	80%	0.804	S	S	*	*			trans	-50.5	113.4	149.8	-42.7	0	0	0	0	109
391	T	29.6	Very low	27.2	Very low	108 Å²	108	153.9 Å²	153.9	66%	0.663	81%	0.809	S	S	*	*			trans	-142.8	116.9	163.6	28.6	0	0	0	0	110.9	T389 I393	T389-T391 PolarHBondContact O-N 2.79Å; T391-I393 PolarHBondContact O-N 3.07Å
392	K	25.3	Very low	27.2	Very low	208 Å²	208	148.1 Å²	148.1	90%	0.904	80%	0.803	S	S	*	*			trans	-57.9	124.1	164.5	-73.5	175.6	173.1	177.8	0	109
393	I	29.5	Very low	27.3	Very low	156 Å²	156	147.7 Å²	147.7	80%	0.8	81%	0.809	S	S	*	*			trans	-124.3	124.4	163.9	-62.1	-179.5	0	0	0	108.7	T391	T391-I393 PolarHBondContact O-N 3.07Å
394	K	28.4	Very low	27.5	Very low	191 Å²	191	149.2 Å²	149.2	83%	0.83	81%	0.811	S	S	*	*			trans	-65.6	143.3	175.7	-81.2	173.9	168.3	179.1	0	111.1	T396	K394-T396 PolarHBondContact O-N 2.89Å
395	S	25.3	Very low	27.5	Very low	125 Å²	125	152.7 Å²	152.7	87%	0.874	82%	0.815	S	S	*	*			trans	-51.2	128.3	164.1	-41.7	0	0	0	0	111.2
396	T	31	Very low	27.6	Very low	130 Å²	130	151.1 Å²	151.1	80%	0.798	82%	0.821	S	S	*	*			trans	-137.4	136.1	160.5	5.4	0	0	0	0	108.7	K394	K394-T396 PolarHBondContact O-N 2.89Å
397	E	26.2	Very low	27.7	Very low	182 Å²	182	148.7 Å²	148.7	85%	0.85	81%	0.811	S	S	*	*			trans	-54.7	138.9	-172.9	-60.1	161.1	144.6	0	0	113
398	F	29.9	Very low	27.9	Very low	212 Å²	212	147.8 Å²	147.8	93%	0.93	82%	0.819	S	S	*	*			trans	-129.7	110.6	153.8	-100.8	-84.1	0	0	0	109.8
399	S	28.4	Very low	28.2	Very low	118 Å²	118	147.4 Å²	147.4	83%	0.825	82%	0.817	S	S	*	*			trans	-74.4	141.3	178.1	-148.8	0	0	0	0	110.8
400	L	26.8	Very low	28.4	Very low	175 Å²	175	147.3 Å²	147.3	92%	0.916	82%	0.821	S	S	*	*			trans	-65.5	139.8	171.1	-87	95	0	0	0	111.6
401	G	27	Very low	28.8	Very low	72 Å²	72	146.9 Å²	146.9	74%	0.742	81%	0.811	S	S	*	*			trans	-127.5	128.5	158.5	0	0	0	0	0	109.7
402	P	28.4	Very low	28.9	Very low	120 Å²	120	147.8 Å²	147.8	78%	0.779	81%	0.813	S	S	*	*			trans	-94.7	149.9	-172.3	35.9	-31.6	0	0	0	112
403	C	28.2	Very low	29.2	Very low	119 Å²	119	145.5 Å²	145.5	80%	0.804	81%	0.81	S	S	*	*			trans	-154.3	108.4	159.6	-94.4	0	0	0	0	113.4
404	Q	29.7	Very low	29.3	Very low	187 Å²	187	145.3 Å²	145.3	87%	0.874	81%	0.809	S	S	*	*			trans	70.6	118.4	131.1	-59.9	-172.7	-5.6	0	0	121.8
405	H	26.3	Very low	29.6	Very low	178 Å²	178	141 Å²	141	82%	0.824	80%	0.801	S	S	*	*			trans	-58	146.8	167.1	-73.1	-88.5	0	0	0	115
406	T	29.4	Very low	29.7	Very low	146 Å²	146	142.2 Å²	142.2	90%	0.896	80%	0.796	S	S	*	*			trans	-139.3	123.1	136.6	36.7	0	0	0	0	110.2
407	T	27.3	Very low	29.6	Very low	104 Å²	104	141.9 Å²	141.9	64%	0.638	80%	0.797	S	S	*	*			trans	-74.9	150	-178.3	45.8	0	0	0	0	113.6
408	N	31.6	Very low	29.5	Very low	170 Å²	170	144.4 Å²	144.4	91%	0.909	80%	0.799	S	S	*	*			trans	-152.3	130.1	135.8	-98.7	-22.5	0	0	0	111.8
409	N	29.5	Very low	29.7	Very low	146 Å²	146	139 Å²	139	78%	0.781	79%	0.785	S	S	*	*			trans	-82	154.9	-166.1	-73.4	-36.1	0	0	0	114.9
410	S	32.6	Very low	29.8	Very low	101 Å²	101	140.5 Å²	140.5	71%	0.706	78%	0.784	S	S	*	*			trans	178.7	96.5	135.2	169.3	0	0	0	0	109.2
411	I	33.6	Very low	29.8	Very low	136 Å²	136	137.4 Å²	137.4	70%	0.697	77%	0.773	S	S	*	*				69.8	119.2	95.3	-68.8	170.1	0	0	0	110.3
412	N	31.6	Very low	29.8	Very low	128 Å²	128	142.1 Å²	142.1	68%	0.684	78%	0.78	S	S	*	*			cis	-165	139.3	21.5	-84.6	-27.5	0	0	0	106.7
413	N	32.3	Very low	29.6	Very low	160 Å²	160	143.5 Å²	143.5	86%	0.856	78%	0.781	S	S	*	*				178.9	151.1	87.7	-93	-31.6	0	0	0	109.1
414	I	31.8	Very low	29.7	Very low	152 Å²	152	144.8 Å²	144.8	78%	0.779	79%	0.785	S	S	*	*			trans	-135.5	167.7	-151.4	-83.5	174.6	0	0	0	105.8
415	P	34.2	Very low	29.6	Very low	101 Å²	101	140.7 Å²	140.7	66%	0.656	77%	0.773	S	S	*	*			cis	-151.4	-142	-41.3	47.3	-25.5	0	0	0	111.5
416	I	28.9	Very low	29.8	Very low	149 Å²	149	139.8 Å²	139.8	76%	0.764	77%	0.774	S	S	*	*			trans	104.6	114.6	159.2	-54.2	171.5	0	0	0	112
417	C	27	Very low	29.7	Very low	123 Å²	123	135.7 Å²	135.7	83%	0.831	76%	0.761	S	S	*	*			cis	-157.8	159.1	43.2	-119.8	0	0	0	0	112.8
418	R	24.2	Very low	29.9	Very low	235 Å²	235	140.7 Å²	140.7	89%	0.887	78%	0.776	S	S	*	*			trans	-137.4	-172.9	178.4	-112.1	-167.2	-173.4	171.8	2.2	106.5
419	P	34.2	Very low	29.7	Very low	99 Å²	99	140.2 Å²	140.2	64%	0.643	77%	0.768	S	S	*	*				-134.3	-169.4	-54.1	38.8	-19.3	0	0	0	111.2
420	D	30.3	Very low	29.7	Very low	149 Å²	149	141.2 Å²	141.2	80%	0.797	77%	0.772	S	S	*	*			trans	177.6	112.8	138.6	-88.2	-28.8	0	0	0	111.6
421	T	27	Very low	29.3	Very low	111 Å²	111	142.8 Å²	142.8	68%	0.681	77%	0.772	S	S	*	*				86.5	114.3	77.6	-43.5	0	0	0	0	115.1
422	L	28.3	Very low	29.2	Very low	170 Å²	170	143.3 Å²	143.3	89%	0.89	78%	0.776	S	S	*	*				173.3	135.2	125.5	-90.2	165.6	0	0	0	114.4
423	N	24.3	Very low	29.1	Very low	149 Å²	149	142.7 Å²	142.7	80%	0.797	78%	0.777	S	S	*	*			trans	-113.7	145.5	-178.4	-117.5	-3.4	0	0	0	109.3
424	V	29.5	Very low	28.9	Very low	146 Å²	146	144.5 Å²	144.5	89%	0.885	78%	0.777	S	S	*	*			trans	-145.5	135.2	156.7	-178.6	0	0	0	0	110.6
425	T	28.2	Very low	28.9	Very low	102 Å²	102	144.3 Å²	144.3	63%	0.626	78%	0.783	S	S	*	*			trans	-106.8	170.8	-172.8	47	0	0	0	0	114.1
426	D	30.9	Very low	28.7	Very low	159 Å²	159	147.3 Å²	147.3	85%	0.85	79%	0.794	S	S	*	*			trans	79.3	138.6	157	-52.4	-43.9	0	0	0	117.9
427	G	27.5	Very low	28.9	Very low	60 Å²	60	143.7 Å²	143.7	62%	0.619	79%	0.793	S	S	*	*			cis	161.3	148.8	4.8	0	0	0	0	0	108.6
428	H	31.4	Very low	29.2	Very low	209 Å²	209	146 Å²	146	97%	0.968	80%	0.797	S	S	*	*			trans	150.4	148.1	146.2	-82.2	-64.6	0	0	0	115
429	H	25.7	Very low	29.4	Very low	160 Å²	160	137.9 Å²	137.9	74%	0.741	79%	0.786	S	S	*	*			trans	-131.9	132.6	-150.3	-169.5	-39.4	0	0	0	108.2
430	I	29.7	Very low	29.3	Very low	167 Å²	167	142.6 Å²	142.6	86%	0.856	80%	0.799	S	S	*	*			trans	-150.2	134	156.6	-55.7	-175.9	0	0	0	109.7
431	D	25.6	Very low	29	Very low	133 Å²	133	139.6 Å²	139.6	71%	0.711	79%	0.791	S	S	*	*			trans	-122.7	145.8	-172.2	-167.8	11.8	0	0	0	108.8
432	L	29.8	Very low	29.3	Very low	148 Å²	148	143.9 Å²	143.9	78%	0.775	80%	0.802	S	S	*	*			trans	-161.9	96.2	170.2	-100.5	158.3	0	0	0	113.9
433	T	31	Very low	29.1	Very low	115 Å²	115	141.8 Å²	141.8	71%	0.706	80%	0.797	S	S	*	*				56.9	107.2	129.4	61.2	0	0	0	0	124.6
434	K	27.4	Very low	29.5	Very low	198 Å²	198	142.1 Å²	142.1	86%	0.861	80%	0.798	S	S	*	*				15.3	137.6	127.1	-70.6	176.7	176.4	173	0	122.7
435	T	32.3	Very low	29.5	Very low	147 Å²	147	142.1 Å²	142.1	90%	0.902	79%	0.793	S	S	*	*				-154.2	134.8	127.9	42.4	0	0	0	0	112.8
436	N	29.6	Very low	29.4	Very low	165 Å²	165	143.3 Å²	143.3	88%	0.882	80%	0.8	S	S	*	*			trans	-89.3	162	-179.7	-76.5	-21.6	0	0	0	113.4
437	G	33.7	Very low	29.4	Very low	72 Å²	72	141.5 Å²	141.5	74%	0.742	80%	0.797	S	S	*	*			trans	173.9	85.4	158.7	0	0	0	0	0	118.1
438	N	32.6	Very low	29.3	Very low	171 Å²	171	147.5 Å²	147.5	91%	0.914	81%	0.808	S	S	*	*			trans	42.6	136.9	144.5	-70.2	-5	0	0	0	124.1
439	G	27.9	Very low	29.2	Very low	65 Å²	65	148.6 Å²	148.6	67%	0.67	80%	0.804	S	S	*	*			trans	-86.8	176.3	-178.4	0	0	0	0	0	117
440	H	32.4	Very low	29.1	Very low	198 Å²	198	146.2 Å²	146.2	92%	0.917	81%	0.805	S	S	*	*			trans	-164.9	149.3	138.1	-96.9	-52.5	0	0	0	111.1
441	S	25.1	Very low	29.2	Very low	87 Å²	87	144.9 Å²	144.9	61%	0.608	81%	0.805	S	S	*	*			trans	-73.9	153.5	-169.8	49.8	0	0	0	0	116
442	H	32.5	Very low	29.2	Very low	200 Å²	200	146.6 Å²	146.6	93%	0.926	81%	0.809	S	S	*	*			trans	-155.6	127.2	137.6	-89.9	-63.6	0	0	0	112.2
443	T	24.4	Very low	29.2	Very low	126 Å²	126	147.1 Å²	147.1	77%	0.773	81%	0.807	S	S	*	*			trans	-87.3	143.7	171.2	-46.6	0	0	0	0	109.6
444	L	32.2	Very low	29.3	Very low	156 Å²	156	147.8 Å²	147.8	82%	0.817	81%	0.811	S	S	*	*			trans	-166	112.8	153	-95.3	177.4	0	0	0	112.4
445	D	30.4	Very low	29.3	Very low	146 Å²	146	146.3 Å²	146.3	78%	0.781	81%	0.813	S	S	*	*			trans	47	137.5	134.7	-63	-30.9	0	0	0	127.1
446	V	25.7	Very low	29.1	Very low	128 Å²	128	143.1 Å²	143.1	78%	0.776	81%	0.809	S	S	*	*			trans	-76.4	168	172.2	-173.8	0	0	0	0	108.4
447	P	30.4	Very low	28.9	Very low	121 Å²	121	144.6 Å²	144.6	79%	0.786	81%	0.811	S	S	*	*			cis	-157.4	175.7	42.8	40.3	-14.1	0	0	0	121.6
448	H	25.6	Very low	28.6	Very low	185 Å²	185	147.2 Å²	147.2	86%	0.856	82%	0.816	S	S	*	*			trans	-39.8	149.4	166	-87.7	-63.8	0	0	0	117.5
449	R	28.5	Very low	28.1	Very low	233 Å²	233	144.4 Å²	144.4	88%	0.879	81%	0.81	S	S	*	*			trans	-144.6	120.5	148.1	-153.5	176.4	-164.8	-166.2	3.4	111.8
450	S	23.5	Very low	28.2	Very low	110 Å²	110	147.3 Å²	147.3	77%	0.769	82%	0.815	S	S	*	*			trans	-86.2	140.7	163.9	50.1	0	0	0	0	110.2
451	T	32.3	Very low	28.1	Very low	139 Å²	139	145.1 Å²	145.1	85%	0.853	81%	0.808	S	S	*	*			trans	-151.3	141.5	155	10	0	0	0	0	111.2
452	Q	26.9	Very low	27.9	Very low	169 Å²	169	146.2 Å²	146.2	79%	0.79	82%	0.816	S	S	*	*			trans	-88.9	169.2	-168.1	-139.5	173.5	-9.9	0	0	111.3
453	E	28.3	Very low	27.8	Very low	158 Å²	158	144.9 Å²	144.9	74%	0.738	81%	0.812	S	S	*	*			trans	76.3	140.7	155.1	-68.7	177.4	-175.4	0	0	116.7
454	T	33.2	Very low	27.9	Very low	130 Å²	130	143.8 Å²	143.8	80%	0.798	81%	0.81	S	S	*	*			cis	-165.9	162.7	17.5	19.2	0	0	0	0	110.1
455	N	27	Very low	27.9	Very low	167 Å²	167	143.3 Å²	143.3	89%	0.893	81%	0.808	S	S	*	*			trans	-50.9	151.7	177.3	-66.9	-40.4	0	0	0	116.4
456	G	29.6	Very low	28	Very low	80 Å²	80	145.3 Å²	145.3	83%	0.825	81%	0.809	S	S	*	*			trans	179	98.8	160.5	0	0	0	0	0	114.3
457	Q	24.4	Very low	28	Very low	195 Å²	195	143.8 Å²	143.8	91%	0.911	80%	0.804	S	S	*	*			trans	-64.1	141.1	164.1	-78	165.3	-46.4	0	0	110.8
458	C	27.5	Very low	28	Very low	128 Å²	128	145.9 Å²	145.9	87%	0.865	81%	0.809	S	S	*	*			trans	-168.2	124.6	137.1	-114.7	0	0	0	0	112.5
459	S	23	Very low	28.1	Very low	112 Å²	112	143 Å²	143	78%	0.783	81%	0.805	S	S	*	*			trans	-74.6	139.2	165.3	49.4	0	0	0	0	112.2
460	V	29.6	Very low	28.3	Very low	126 Å²	126	138.4 Å²	138.4	76%	0.764	80%	0.803	S	S	*	*			trans	-148.5	104.1	160.9	-174.9	0	0	0	0	107.6
461	I	29.8	Very low	28.6	Very low	151 Å²	151	142 Å²	142	77%	0.774	81%	0.807	S	S	*	*				57	112.3	99.8	-56.2	171.9	0	0	0	113.9
462	S	22.3	Very low	28.6	Very low	111 Å²	111	143.3 Å²	143.3	78%	0.776	81%	0.807	S	S	*	*			trans	-68.7	134.9	167.8	51.9	0	0	0	0	112.7
463	M	29.4	Very low	28.6	Very low	172 Å²	172	139.4 Å²	139.4	85%	0.847	80%	0.804	S	S	*	*			trans	-138.1	114.1	157.4	-82.6	-88.2	-80.1	0	0	108.5
464	S	25.9	Very low	28.7	Very low	103 Å²	103	138.3 Å²	138.3	72%	0.72	81%	0.81	S	S	*	*			trans	-63	142.9	166.7	52.8	0	0	0	0	111.5
465	N	32.4	Very low	28.6	Very low	145 Å²	145	137.4 Å²	137.4	78%	0.775	81%	0.81	S	S	*	*			trans	-162.3	118.2	141.6	-92	-27.7	0	0	0	112.5
466	K	32.8	Very low	28.6	Very low	188 Å²	188	135.8 Å²	135.8	82%	0.817	81%	0.806	S	S	*	*			trans	25.8	117.5	142	-71.5	176.3	175.8	176.1	0	120.6
467	S	26.9	Very low	28.4	Very low	96 Å²	96	138.4 Å²	138.4	67%	0.671	81%	0.81	S	S	*	*			trans	18.8	122.5	131.5	60.1	0	0	0	0	119.1
468	D	30.2	Very low	28.5	Very low	165 Å²	165	135.1 Å²	135.1	88%	0.882	80%	0.803	S	S	*	*				-155.8	130.9	127.3	-94.1	-30.1	0	0	0	111.1
469	T	27.7	Very low	28.6	Very low	126 Å²	126	140.4 Å²	140.4	77%	0.773	81%	0.807	S	S	*	*			trans	-88.6	123.8	-176.6	-21	0	0	0	0	109.4
470	T	32.2	Very low	28.8	Very low	135 Å²	135	138.2 Å²	138.2	83%	0.828	80%	0.802	S	S	*	*			trans	-145.7	126.4	155.9	33.7	0	0	0	0	111.2
471	H	28.9	Very low	28.8	Very low	185 Å²	185	141 Å²	141	86%	0.856	81%	0.807	S	S	*	*			trans	-69.9	129.9	175.2	-79.1	-91	0	0	0	111.5
472	I	32	Very low	28.8	Very low	167 Å²	167	142.4 Å²	142.4	86%	0.856	81%	0.809	S	S	*	*			trans	-138.4	133.7	155.9	-59	-177.8	0	0	0	108.7
473	A	28.5	Very low	29.1	Very low	88 Å²	88	146.5 Å²	146.5	73%	0.727	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-65.3	153.4	-174.4	0	0	0	0	0	114
474	P	30.4	Very low	29	Very low	134 Å²	134	147.2 Å²	147.2	87%	0.87	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-86.4	128.8	179.7	33.4	-30.2	0	0	0	111.8
475	S	29.9	Very low	29.1	Very low	112 Å²	112	148.3 Å²	148.3	78%	0.783	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-85.5	133.5	166.5	50.5	0	0	0	0	110.9
476	T	26.5	Very low	28.8	Very low	132 Å²	132	148.4 Å²	148.4	81%	0.81	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-53.6	133.1	172.8	41	0	0	0	0	114.4
477	C	27.2	Very low	28.6	Very low	135 Å²	135	148.1 Å²	148.1	91%	0.912	82%	0.818	S	S	*	*			trans	-133.8	120.1	155	-80.7	0	0	0	0	109.2
478	T	25	Very low	28.7	Very low	126 Å²	126	150.9 Å²	150.9	77%	0.773	82%	0.821	S	S	*	*			trans	-94.4	126.7	177.5	-24.9	0	0	0	0	108.9
479	Y	29.5	Very low	28.6	Very low	240 Å²	240	147.7 Å²	147.7	94%	0.941	81%	0.809	S	S	*	*			trans	-179.1	118.5	154.8	-88.2	-73.1	0	0	0	103.5
480	G	27.3	Very low	28.6	Very low	66 Å²	66	149.3 Å²	149.3	68%	0.68	81%	0.811	S	S	*	*			cis	113.4	84.3	29.3	0	0	0	0	0	106.9
481	E	30.5	Very low	28.3	Very low	185 Å²	185	151.7 Å²	151.7	86%	0.864	81%	0.81	S	S	*	*			trans	-172.2	115.1	154.8	-105.9	166.9	-155.2	0	0	111.8
482	H	29.7	Very low	28.3	Very low	180 Å²	180	147.6 Å²	147.6	83%	0.833	80%	0.803	S	S	*	*			trans	26.7	98.7	157	-70.1	-85.1	0	0	0	120.8
483	F	28.2	Very low	28.2	Very low	197 Å²	197	147.5 Å²	147.5	86%	0.864	80%	0.803	S	S	*	*			trans	-93.4	111.4	147.2	-101	-93.4	0	0	0	108.7	T485	F483-T485 PolarHBondContact O-N 2.78Å
484	E	27	Very low	28.2	Very low	187 Å²	187	150.6 Å²	150.6	87%	0.874	81%	0.807	S	S	*	*			trans	-71.1	117.8	159.3	-91.8	-177	158	0	0	108.4	L486	E484-L486 PolarHBondContact O-N 2.79Å
485	T	27.3	Very low	28.1	Very low	125 Å²	125	148.7 Å²	148.7	77%	0.767	80%	0.803	S	S	*	*			trans	-85.6	99.5	-179.6	-38.6	0	0	0	0	108	F483 Q487	F483-T485 PolarHBondContact O-N 2.78Å; T485-Q487 PolarHBondContact O-N 2.96Å
486	L	28.2	Very low	28.2	Very low	147 Å²	147	150.5 Å²	150.5	77%	0.77	80%	0.804	S	S	*	*			trans	-81.6	95.2	162.6	-84.1	162.4	0	0	0	108	E484 H488	E484-L486 PolarHBondContact O-N 2.79Å; L486-H488 PolarHBondContact O-N 3.39Å; L486-H488 VanDerWaalsContact O-N 3.1Å
487	Q	28.5	Very low	28.5	Very low	182 Å²	182	152 Å²	152	85%	0.85	81%	0.807	S	S	*	*			trans	-61.9	103.8	162.5	-81.8	174.9	-46.3	0	0	108.4	T485	T485-Q487 PolarHBondContact O-N 2.96Å
488	H	27.9	Very low	28.6	Very low	155 Å²	155	154.2 Å²	154.2	72%	0.718	81%	0.806	S	S	*	*			trans	-80.4	135.8	159.9	-74.6	-66.7	0	0	0	109.2	L486 I490	L486-H488 PolarHBondContact O-N 3.39Å; L486-H488 VanDerWaalsContact O-N 3.1Å; H488-I490 PolarHBondContact O-N 2.85Å
489	P	27.8	Very low	28.9	Very low	98 Å²	98	155.3 Å²	155.3	64%	0.636	81%	0.805	S	S	*	*			trans	-66.1	132.6	179.9	27.4	-31.3	0	0	0	109.6	F491	P489-F491 PolarHBondContact O-N 3.32Å; P489-F491 VanDerWaalsContact O-N 3.1Å
490	I	28	Very low	29	Very low	159 Å²	159	148.9 Å²	148.9	82%	0.815	79%	0.793	S	S	*	*			trans	-58.7	109.6	167.2	-63.5	169.2	0	0	0	107	H488 S492	H488-I490 PolarHBondContact O-N 2.85Å; I490-S492 PolarHBondContact O-N 2.93Å
491	F	26.7	Very low	29.1	Very low	185 Å²	185	152.1 Å²	152.1	81%	0.811	80%	0.8	S	S	*	*			trans	-70.3	105.4	161.2	-82.1	-84	0	0	0	107.4	P489 L493	P489-F491 PolarHBondContact O-N 3.32Å; P489-F491 VanDerWaalsContact O-N 3.1Å; F491-L493 PolarHBondContact O-N 2.9Å
492	S	27.7	Very low	29	Very low	100 Å²	100	151.6 Å²	151.6	70%	0.699	80%	0.797	S	S	*	*			trans	-67.5	111.8	154.7	-75.6	0	0	0	0	106.6	I490	I490-S492 PolarHBondContact O-N 2.93Å
493	L	29.9	Very low	28.9	Very low	165 Å²	165	149.8 Å²	149.8	86%	0.864	80%	0.799	S	S	*	*			trans	-87	115.8	158.1	-85.8	159.9	0	0	0	106.3	F491 A495	F491-L493 PolarHBondContact O-N 2.9Å; L493-A495 PolarHBondContact O-N 2.72Å
494	D	28.9	Very low	28.9	Very low	152 Å²	152	145.6 Å²	145.6	81%	0.813	79%	0.794	S	S	*	*			trans	-54.5	127.7	173.2	-75.2	-44.6	0	0	0	109.9	D496	D494-D496 PolarHBondContact O-N 3.21Å
495	A	28.8	Very low	28.9	Very low	94 Å²	94	145.6 Å²	145.6	78%	0.777	79%	0.794	S	S	*	*			trans	-84.2	81.1	172.3	0	0	0	0	0	108.2	L493	L493-A495 PolarHBondContact O-N 2.72Å
496	D	31.8	Very low	29.1	Very low	150 Å²	150	145.9 Å²	145.9	80%	0.802	80%	0.796	S	S	*	*			trans	-158.2	70.8	167.9	-86.7	-36.5	0	0	0	109.6	D494	D494-D496 PolarHBondContact O-N 3.21Å
497	D	31.7	Very low	29.2	Very low	165 Å²	165	143.3 Å²	143.3	88%	0.882	79%	0.79	S	S	*	*			trans	-160.1	68.1	152.7	-101.6	-22.7	0	0	0	108.7
498	M	30.8	Very low	29.1	Very low	181 Å²	181	141.9 Å²	141.9	89%	0.892	79%	0.788	S	S	*	*			trans	-83.5	106.8	164.6	-78.6	-148.8	75.3	0	0	109.2
499	I	31.2	Very low	29.2	Very low	148 Å²	148	139.5 Å²	139.5	76%	0.759	79%	0.789	S	S	*	*			trans	-78.6	122.1	159.8	-59.1	176.7	0	0	0	107.6	V501	I499-V501 PolarHBondContact O-N 2.75Å
500	P	30.6	Very low	29.3	Very low	106 Å²	106	143.1 Å²	143.1	69%	0.688	80%	0.795	S	S	*	*			trans	-79.3	121.6	179.8	30.4	-29.6	0	0	0	110	E502	P500-E502 PolarHBondContact O-N 2.88Å
501	V	29.5	Very low	29.4	Very low	134 Å²	134	145.8 Å²	145.8	81%	0.812	80%	0.796	S	S	*	*			trans	-79	104.9	163.9	175	0	0	0	0	107.6	I499 T503	I499-V501 PolarHBondContact O-N 2.75Å; V501-T503 PolarHBondContact O-N 2.97Å
502	E	29.6	Very low	29.3	Very low	174 Å²	174	144.8 Å²	144.8	81%	0.813	80%	0.798	S	S	*	*			trans	-61.4	127.3	170.1	-74.3	-170.9	150.8	0	0	110.5	P500	P500-E502 PolarHBondContact O-N 2.88Å
503	T	26.4	Very low	29.5	Very low	142 Å²	142	145.5 Å²	145.5	87%	0.871	80%	0.8	S	S	*	*			trans	-90	108.7	168.1	30.4	0	0	0	0	108.1	V501	V501-T503 PolarHBondContact O-N 2.97Å
504	S	29.5	Very low	29.4	Very low	108 Å²	108	144.7 Å²	144.7	76%	0.755	80%	0.797	S	S	*	*			trans	-123.2	107.1	162	56.5	0	0	0	0	109.4
505	Q	26.1	Very low	29.5	Very low	187 Å²	187	145.3 Å²	145.3	87%	0.874	80%	0.8	S	S	*	*			trans	-56.5	138.1	163.4	-64.7	171.2	-4.9	0	0	109.6
506	T	30.6	Very low	29.5	Very low	131 Å²	131	147.8 Å²	147.8	80%	0.804	80%	0.799	S	S	*	*				-176.9	122.5	123.5	32.5	0	0	0	0	111.7
507	S	30.4	Very low	29.5	Very low	93 Å²	93	147.7 Å²	147.7	65%	0.65	80%	0.799	S	S	*	*			trans	65.1	116.6	138.4	56.3	0	0	0	0	122
508	D	27.2	Very low	29.2	Very low	152 Å²	152	147.2 Å²	147.2	81%	0.813	80%	0.796	S	S	*	*				72.1	105.3	127.8	-56.9	-25.3	0	0	0	119.9
509	S	30.3	Very low	29.1	Very low	105 Å²	105	143.9 Å²	143.9	73%	0.734	79%	0.791	S	S	*	*				172.7	126.3	90	54	0	0	0	0	113.8
510	K	30.4	Very low	28.8	Very low	174 Å²	174	146.3 Å²	146.3	76%	0.757	80%	0.796	S	S	*	*			trans	50.5	110.2	132.3	-59.5	175.3	-178.5	175.6	0	118.4
511	Y	29.8	Very low	28.6	Very low	216 Å²	216	151.5 Å²	151.5	85%	0.847	80%	0.803	S	S	*	*				171.3	100.2	101	-91.6	-74.5	0	0	0	110.2
512	L	24.4	Very low	28.3	Very low	164 Å²	164	152.4 Å²	152.4	86%	0.859	80%	0.803	S	S	*	*			trans	-157.5	114.2	156.2	-121.1	148.6	0	0	0	106.3
513	P	31.8	Very low	28.2	Very low	114 Å²	114	151.1 Å²	151.1	74%	0.74	80%	0.802	S	S	*	*			trans	-99.1	120.1	164.9	31.5	-20.8	0	0	0	109.3
514	D	26.9	Very low	28.2	Very low	148 Å²	148	150.9 Å²	150.9	79%	0.791	80%	0.795	S	S	*	*			trans	-56.3	134.1	155	-72.1	-46.7	0	0	0	109.4
515	N	31.4	Very low	28	Very low	166 Å²	166	153.9 Å²	153.9	89%	0.888	80%	0.803	S	S	*	*			trans	-146.8	108.9	146.6	-113.3	-18.6	0	0	0	110.3	N517	N515-N517 PolarHBondContact O-N 3.11Å
516	I	28.5	Very low	27.9	Very low	145 Å²	145	148.5 Å²	148.5	74%	0.744	80%	0.797	S	S	*	*			trans	-55.4	124.6	159.7	-66.1	161.8	0	0	0	107.9
517	N	31.8	Very low	27.8	Very low	149 Å²	149	147.1 Å²	147.1	80%	0.797	78%	0.782	S	S	*	*			trans	-165	128.5	139.5	-96.7	-23.2	0	0	0	111.6	N515	N515-N517 PolarHBondContact O-N 3.11Å
518	D	25.5	Very low	27.9	Very low	154 Å²	154	146.7 Å²	146.7	82%	0.824	77%	0.772	S	S	*	*			trans	-30.6	128	169.2	-65.8	-51.2	0	0	0	115.7
519	S	28.7	Very low	28.1	Very low	112 Å²	112	148.1 Å²	148.1	78%	0.783	77%	0.766	S	S	*	*			trans	-163.4	118.6	132.2	46.3	0	0	0	0	111.9	Y521	S519-Y521 PolarHBondContact O-N 2.83Å
520	K	24.9	Very low	28.1	Very low	199 Å²	199	153.6 Å²	153.6	87%	0.865	77%	0.771	S	S	*	*			trans	-12.4	113.6	154.3	-66	169.6	175.2	176	0	115
521	Y	26.4	Very low	28.1	Very low	215 Å²	215	152.9 Å²	152.9	84%	0.843	77%	0.77	S	S	*	*			trans	-147.3	100.4	139.2	-102.9	-81.2	0	0	0	108.7	S519 N523	S519-Y521 PolarHBondContact O-N 2.83Å; Y521-N523 PolarHBondContact O-N 3.35Å
522	N	23.1	Very low	28.2	Very low	152 Å²	152	145.7 Å²	145.7	81%	0.813	75%	0.746	S	S	*	*			trans	-62.8	116.8	155.3	-85.7	-16.5	0	0	0	106.9
523	N	28.5	Very low	28.5	Very low	148 Å²	148	141.5 Å²	141.5	79%	0.791	73%	0.729	S	S	*	*			trans	-135.6	102.5	150	-91.5	-17.6	0	0	0	106.7	Y521	Y521-N523 PolarHBondContact O-N 3.35Å
524	N	25.1	Very low	28.6	Very low	136 Å²	136	139 Å²	139	73%	0.727	71%	0.709	S	S	*	*			trans	-60.4	158.5	154.1	-67.9	-29.4	0	0	0	108.5
525	D	25.3	Very low	29	Very low	172 Å²	172	135.4 Å²	135.4	92%	0.92	69%	0.69	S	S	*	*			trans	88.3	88.3	171.3	-47.9	-25.3	0	0	0	115.1
526	G	25.6	Very low	29.2	Very low	73 Å²	73	129.4 Å²	129.4	75%	0.753	66%	0.659	S	S	*	*			trans	-161.8	79.2	169.3	0	0	0	0	0	110.3	D528	G526-D528 PolarHBondContact O-N 3.48Å; G526-D528 VanDerWaalsContact O-N 3.09Å
527	Q	28.8	Very low	29.6	Very low	103 Å²	103	123.7 Å²	123.7	48%	0.481	63%	0.632	S	S	.	*			trans	-56.2	112.4	169.5	-100.6	162.7	-23.4	0	0	109.2	W529	Q527-W529 PolarHBondContact O-N 2.69Å; Q527-W529 VanDerWaalsContact O-N 3.15Å; Q527-W529 PolarHBondContact O-NE1 3.19Å
528	D	31.6	Very low	29.8	Very low	84 Å²	84	117.6 Å²	117.6	45%	0.449	60%	0.599	S	S	.	*			trans	-78.2	94.4	172.6	-167.9	6.4	0	0	0	108.5	G526 R530 Q531	G526-D528 PolarHBondContact O-N 3.48Å; G526-D528 VanDerWaalsContact O-N 3.09Å; D528-R530 PolarHBondContact O-N 2.79Å; D528-R530 VanDerWaalsContact OD1-CB 3.29Å; D528-R530 WeakPolarHBondContact OD1-CB 3.5Å; D528-R530 VanDerWaalsContact OD1-CD 3.31Å; D528-R530 WeakPolarHBondContact OD1-CD 3.45Å; D528-R530 VanDerWaalsContact OD1-CG 3.22Å; D528-R530 WeakPolarHBondContact OD1-CG 3.23Å; D528-R530 PolarHBondContact OD1-N 3.33Å; D528-R530 IonicContact OD1-NE 3.43Å; D528-Q531 PolarHBondContact O-N 2.81Å
529	W	31.3	Very low	30.1	Very low	181 Å²	181	112.8 Å²	112.8	69%	0.686	58%	0.577	S	S	*	*	G	3₁₀ helix	trans	-57.3	-10	178.2	-59.4	91.1	0	0	0	113.6	Q527 Q531	Q527-W529 PolarHBondContact O-N 2.69Å; Q527-W529 VanDerWaalsContact O-N 3.15Å; Q527-W529 PolarHBondContact O-NE1 3.19Å; W529-Q531 PolarHBondContact O-N 2.95Å
530	R	30.2	Very low	30.3	Very low	220 Å²	220	110 Å²	110	83%	0.83	56%	0.557	S	S	*	*	G	3₁₀ helix	trans	-74.9	0.9	177.6	-57.8	174.8	-174.6	154	-0	114.4	D528	D528-R530 PolarHBondContact O-N 2.79Å; D528-R530 VanDerWaalsContact OD1-CB 3.29Å; D528-R530 WeakPolarHBondContact OD1-CB 3.5Å; D528-R530 VanDerWaalsContact OD1-CD 3.31Å; D528-R530 WeakPolarHBondContact OD1-CD 3.45Å; D528-R530 VanDerWaalsContact OD1-CG 3.22Å; D528-R530 WeakPolarHBondContact OD1-CG 3.23Å; D528-R530 PolarHBondContact OD1-N 3.33Å; D528-R530 IonicContact OD1-NE 3.43Å
531	Q	30.7	Very low	30.7	Very low	159 Å²	159	102.9 Å²	102.9	74%	0.743	53%	0.528	S	S	*	.	G	3₁₀ helix	trans	-91.5	7.6	175.3	-65.9	-164.7	15.2	0	0	114.7	D528 W529 P533	D528-Q531 PolarHBondContact O-N 2.81Å; W529-Q531 PolarHBondContact O-N 2.95Å; Q531-P533 WeakPolarHBondContact O-CD 3.37Å
532	L	31.7	Very low	31	Very low	65 Å²	65	97.2 Å²	97.2	34%	0.34	51%	0.511	S	S	.	.			trans	-80.4	111.3	171.9	-70.1	170.1	0	0	0	109.4	L534	L532-L534 PolarHBondContact O-N 3.03Å; L532-L534 VanDerWaalsContact O-N 3.11Å
533	P	31.2	Very low	31.3	Very low	77 Å²	77	94 Å²	94	50%	0.5	50%	0.501	S	S	.	.			trans	-65.6	116.9	170.8	26.7	-30.8	0	0	0	108.3	Q531 N535	Q531-P533 WeakPolarHBondContact O-CD 3.37Å; P533-N535 PolarHBondContact O-N 2.88Å
534	L	33.5	Very low	31.5	Very low	60 Å²	60	96.7 Å²	96.7	31%	0.314	51%	0.509	S	S	.	.			trans	-66.6	59.4	161.6	-72.7	167.3	0	0	0	108.9	D77 L532 T536	D77-L534 HydrophobicContact CB-CB 3.78Å; D77-L534 HydrophobicContact CB-CD1 3.99Å; L532-L534 PolarHBondContact O-N 3.03Å; L532-L534 VanDerWaalsContact O-N 3.11Å; L534-T536 PolarHBondContact O-N 2.95Å
535	N	34.8	Very low	31.9	Very low	74 Å²	74	92.6 Å²	92.6	40%	0.396	49%	0.491	S	S	.	.			trans	-72.7	74.1	164	-90.1	-15.9	0	0	0	107.4	R211 P533 S537	R211-N535 PolarHBondContact NH2-O 3.28Å; P533-N535 PolarHBondContact O-N 2.88Å; N535-S537 PolarHBondContact O-N 3.39Å
536	T	36.6	Very low	32.3	Very low	39 Å²	39	86.2 Å²	86.2	24%	0.239	47%	0.465	C	S	.	.			trans	-77.6	97.8	162.5	50.4	0	0	0	0	107	L534 F538	L534-T536 PolarHBondContact O-N 2.95Å; T536-F538 VanDerWaalsContact CB-CD2 3.42Å; T536-F538 HydrophobicContact CG2-CD2 4.36Å; T536-F538 HydrophobicContact CG2-CE2 3.71Å; T536-F538 HydrophobicContact CG2-CZ 4.25Å; T536-F538 PolarHBondContact O-N 2.87Å; T536-F538 WeakPolarHBondContact OG1-CD2 3.36Å; T536-F538 VanDerWaalsContact OG1-CE2 3.29Å; T536-F538 WeakPolarHBondContact OG1-CE2 3.15Å
537	S	36.1	Very low	33.1	Very low	25 Å²	25	83.5 Å²	83.5	18%	0.175	43%	0.434	C	S	.	.			trans	-81.3	71.5	165.1	-178.2	0	0	0	0	107.9	N535 S539 S540	N535-S537 PolarHBondContact O-N 3.39Å; S537-S539 PolarHBondContact O-N 3.21Å; S537-S540 PolarHBondContact O-N 3.47Å; S537-S540 VanDerWaalsContact O-N 3.15Å; S537-S540 PolarHBondContact O-OG 3.42Å; S537-S540 VanDerWaalsContact O-OG 3.1Å
538	F	36.4	Very low	33.5	Very low	22 Å²	22	82.5 Å²	82.5	10%	0.096	44%	0.436	C	S	.	.	G	3₁₀ helix	trans	-53.8	-24.7	171.8	-78.2	-81.2	0	0	0	111.7	Y80 V84 T536 S540 M541 F551	Y80-F538 HydrophobicContact CD1-CD2 4.47Å; Y80-F538 HydrophobicContact CD1-CE2 4.07Å; Y80-F538 AromaticContact CE1-CD2 3.54Å; Y80-F538 HydrophobicContact CE1-CD2 3.54Å; Y80-F538 AromaticContact CE1-CE2 3.45Å; Y80-F538 HydrophobicContact CE1-CE2 3.45Å; Y80-F538 VanDerWaalsContact CE1-CE2 3.45Å; Y80-F538 HydrophobicContact CE1-CG 4.48Å; Y80-F538 HydrophobicContact CE1-CZ 4.37Å; V84-F538 HydrophobicContact CB-CZ 4.41Å; V84-F538 HydrophobicContact CG1-CE1 4.01Å; V84-F538 HydrophobicContact CG1-CZ 3.93Å; V84-F538 HydrophobicContact CG2-CZ 4.17Å; T536-F538 VanDerWaalsContact CB-CD2 3.42Å; T536-F538 HydrophobicContact CG2-CD2 4.36Å; T536-F538 HydrophobicContact CG2-CE2 3.71Å; T536-F538 HydrophobicContact CG2-CZ 4.25Å; T536-F538 PolarHBondContact O-N 2.87Å; T536-F538 WeakPolarHBondContact OG1-CD2 3.36Å; T536-F538 VanDerWaalsContact OG1-CE2 3.29Å; T536-F538 WeakPolarHBondContact OG1-CE2 3.15Å; F538-S540 PolarHBondContact O-N 2.77Å; F538-M541 HydrophobicContact CD1-SD 4.02Å; F538-M541 HydrophobicContact CE1-SD 4.43Å; F538-M541 WeakPolarHBondContact O-CB 3.13Å; F538-M541 PolarHBondContact O-N 3.28Å; F538-F551 HydrophobicContact CD1-CD1 4.04Å; F538-F551 AromaticContact CD1-CE1 3.98Å; F538-F551 HydrophobicContact CD1-CE1 3.98Å; F538-F551 HydrophobicContact CE1-CD1 4.34Å; F538-F551 AromaticContact CE1-CE1 3.85Å; F538-F551 HydrophobicContact CE1-CE1 3.85Å; F538-F551 HydrophobicContact CE1-CZ 4.47Å
539	S	31.6	Very low	34	Very low	52 Å²	52	83.7 Å²	83.7	36%	0.364	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-65.3	-16.6	179.8	-32.3	0	0	0	0	114.8	K67 S537	K67-S539 PolarHBondContact O-OG 2.84Å; S537-S539 PolarHBondContact O-N 3.21Å
540	S	32.9	Very low	34.4	Very low	54 Å²	54	76.5 Å²	76.5	38%	0.378	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-95.3	-3.3	172	55.8	0	0	0	0	113.9	S537 F538 L542	S537-S540 PolarHBondContact O-N 3.47Å; S537-S540 VanDerWaalsContact O-N 3.15Å; S537-S540 PolarHBondContact O-OG 3.42Å; S537-S540 VanDerWaalsContact O-OG 3.1Å; F538-S540 PolarHBondContact O-N 2.77Å; S540-L542 PolarHBondContact O-N 3.11Å
541	M	33.2	Very low	35	Very low	49 Å²	49	67.8 Å²	67.8	24%	0.241	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-3.2	171.9	-64.5	-173.7	145.6	0	0	112.8	C192 F538	C192-M541 HydrophobicContact CB-CE 4.43Å; C192-M541 WeakPolarHBondContact SG-CE 3.49Å; F538-M541 HydrophobicContact CD1-SD 4.02Å; F538-M541 HydrophobicContact CE1-SD 4.43Å; F538-M541 WeakPolarHBondContact O-CB 3.13Å; F538-M541 PolarHBondContact O-N 3.28Å
542	L	32.6	Very low	35.6	Very low	96 Å²	96	62 Å²	62	50%	0.503	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-5.1	-176	-68.3	168.3	0	0	0	114.1	S540	S540-L542 PolarHBondContact O-N 3.11Å
543	S	29	Very low	36.2	Very low	84 Å²	84	62.2 Å²	62.2	59%	0.587	37%	0.366	S	S	*	.	S	Bend	trans	-101.6	118.5	-179.5	54.6	0	0	0	0	112.2	S545	S543-S545 PolarHBondContact O-N 3.15Å
544	E	32.3	Very low	37	Very low	205 Å²	205	63.8 Å²	63.8	96%	0.958	37%	0.37	S	S	*	.	S	Bend	trans	82.2	-15.5	163.2	-59.4	-175.5	166.9	0	0	119.3
545	S	33.9	Very low	37.7	Very low	50 Å²	50	65.4 Å²	65.4	35%	0.35	37%	0.373	S	S	.	.	S	Bend	trans	-117.4	77.9	178.5	64.7	0	0	0	0	113.7	S543 L547	S543-S545 PolarHBondContact O-N 3.15Å; S545-L547 WeakPolarHBondContact O-CB 3.29Å; S545-L547 PolarHBondContact O-N 3.02Å
546	G	34.5	Very low	38.4	Very low	38 Å²	38	62.6 Å²	62.6	39%	0.392	36%	0.358	S	S	.	.	S	Bend	trans	45.8	5.4	152	0	0	0	0	0	122.2	P548	G546-P548 VanDerWaalsContact O-CD 3.25Å; G546-P548 WeakPolarHBondContact O-CD 3.48Å
547	L	41.2	Very low	39.2	Very low	16 Å²	16	63.3 Å²	63.3	8%	0.084	36%	0.357	C	S	.	.			trans	-109.8	35.1	-173.5	-96.6	154.7	0	0	0	114.6	L329 Y334 S545 E549 L550 F551	L329-L547 HydrophobicContact CD2-CD2 4.01Å; Y334-L547 WeakPolarHBondContact OH-CD1 3.39Å; S545-L547 WeakPolarHBondContact O-CB 3.29Å; S545-L547 PolarHBondContact O-N 3.02Å; L547-E549 VanDerWaalsContact C-N 3.29Å; L547-E549 PolarHBondContact O-N 3.29Å; L547-L550 HydrophobicContact CD2-CB 4.42Å; L547-L550 HydrophobicContact CD2-CD1 4.11Å; L547-F551 HydrophobicContact CD2-CD2 4.31Å; L547-F551 HydrophobicContact CD2-CE2 4.04Å
548	P	38.6	Very low	40	Very low	82 Å²	82	67 Å²	67	53%	0.532	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-14.9	-175	29.8	-32.8	0	0	0	114.5	G546	G546-P548 VanDerWaalsContact O-CD 3.25Å; G546-P548 WeakPolarHBondContact O-CD 3.48Å
549	E	40.8	Very low	40.8	Very low	110 Å²	110	67.7 Å²	67.7	51%	0.514	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-42.1	-170.7	-71.2	178.9	170.2	0	0	114.6	N330 L547 F551 S552 Y555	N330-E549 PolarHBondContact ND2-OE2 3.23Å; L547-E549 VanDerWaalsContact C-N 3.29Å; L547-E549 PolarHBondContact O-N 3.29Å; E549-F551 VanDerWaalsContact C-N 3.28Å; E549-F551 PolarHBondContact O-N 3.23Å; E549-S552 WeakPolarHBondContact O-CB 3.46Å; E549-S552 PolarHBondContact O-N 2.98Å; E549-S552 PolarHBondContact O-OG 3.24Å; E549-Y555 WeakPolarHBondContact O-CB 3.24Å
550	L	40.6	Very low	41.8	Very low	29 Å²	29	66.1 Å²	66.1	15%	0.152	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-16.8	-173.3	-71.6	168.9	0	0	0	114.3	L329 L547 Y555	L329-L550 HydrophobicContact CD2-CD1 3.86Å; L329-L550 HydrophobicContact CG-CD1 4.35Å; L547-L550 HydrophobicContact CD2-CB 4.42Å; L547-L550 HydrophobicContact CD2-CD1 4.11Å; L550-Y555 HydrophobicContact CD2-CD1 4.13Å; L550-Y555 HydrophobicContact CD2-CE1 3.5Å; L550-Y555 HydrophobicContact CD2-CE2 4.45Å
551	F	43.3	Very low	42.8	Very low	37 Å²	37	69.3 Å²	69.3	16%	0.162	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.1	12.3	175.7	-63.1	-71.6	0	0	0	112.4	V84 I88 F538 L547 E549	V84-F551 HydrophobicContact CG1-CE1 3.77Å; I88-F551 HydrophobicContact CG2-CE1 4.49Å; I88-F551 HydrophobicContact CG2-CZ 4.2Å; F538-F551 HydrophobicContact CD1-CD1 4.04Å; F538-F551 AromaticContact CD1-CE1 3.98Å; F538-F551 HydrophobicContact CD1-CE1 3.98Å; F538-F551 HydrophobicContact CE1-CD1 4.34Å; F538-F551 AromaticContact CE1-CE1 3.85Å; F538-F551 HydrophobicContact CE1-CE1 3.85Å; F538-F551 HydrophobicContact CE1-CZ 4.47Å; L547-F551 HydrophobicContact CD2-CD2 4.31Å; L547-F551 HydrophobicContact CD2-CE2 4.04Å; E549-F551 VanDerWaalsContact C-N 3.28Å; E549-F551 PolarHBondContact O-N 3.23Å
552	S	43.6	Very low	43.6	Very low	38 Å²	38	73.3 Å²	73.3	27%	0.266	39%	0.394	S	S	.	.	S	Bend	trans	-63.9	138.3	168.2	71.7	0	0	0	0	108.6	E549 D554 Y555 I556	E549-S552 WeakPolarHBondContact O-CB 3.46Å; E549-S552 PolarHBondContact O-N 2.98Å; E549-S552 PolarHBondContact O-OG 3.24Å; S552-D554 PolarHBondContact O-N 3.41Å; S552-D554 VanDerWaalsContact O-N 3.1Å; S552-Y555 PolarHBondContact O-N 3.46Å; S552-Y555 WeakPolarHBondContact OG-CB 3.35Å; S552-Y555 PolarHBondContact OG-N 2.93Å; S552-I556 PolarHBondContact O-N 2.85Å
553	S	43.7	Very low	44.3	Very low	69 Å²	69	73.4 Å²	73.4	48%	0.483	40%	0.395	S	S	.	.	H	α-helix	trans	-55.7	-28.2	176.2	-176.8	0	0	0	0	111.7	K557	S553-K557 VanDerWaalsContact O-CG 3.28Å; S553-K557 WeakPolarHBondContact O-CG 3.42Å; S553-K557 PolarHBondContact O-N 3.05Å; S553-K557 VanDerWaalsContact O-N 3.1Å
554	D	47.5	Very low	45.2	Very low	111 Å²	111	73.9 Å²	73.9	59%	0.594	39%	0.394	S	S	*	.	H	α-helix	trans	-73.1	-41.9	-178.8	-59.5	-28.4	0	0	0	111.5	S552 I556 K557 D558	S552-D554 PolarHBondContact O-N 3.41Å; S552-D554 VanDerWaalsContact O-N 3.1Å; D554-I556 PolarHBondContact O-N 3.27Å; D554-K557 WeakPolarHBondContact O-CB 3.22Å; D554-K557 PolarHBondContact O-N 3.02Å; D554-D558 PolarHBondContact O-N 2.84Å
555	Y	48	Very low	45.9	Very low	93 Å²	93	69.4 Å²	69.4	37%	0.365	38%	0.381	S	S	.	.	H	α-helix	trans	-65	-38.9	176	-173.7	-103.5	0	0	0	112.3	T87 E549 L550 S552 K557 D558 L559	T87-Y555 HydrophobicContact CG2-CD1 4.45Å; T87-Y555 HydrophobicContact CG2-CE1 3.74Å; E549-Y555 WeakPolarHBondContact O-CB 3.24Å; L550-Y555 HydrophobicContact CD2-CD1 4.13Å; L550-Y555 HydrophobicContact CD2-CE1 3.5Å; L550-Y555 HydrophobicContact CD2-CE2 4.45Å; S552-Y555 PolarHBondContact O-N 3.46Å; S552-Y555 WeakPolarHBondContact OG-CB 3.35Å; S552-Y555 PolarHBondContact OG-N 2.93Å; Y555-K557 VanDerWaalsContact C-N 3.31Å; Y555-K557 PolarHBondContact O-N 3.32Å; Y555-D558 PolarHBondContact O-N 2.67Å; Y555-L559 HydrophobicContact CD1-CD1 3.72Å; Y555-L559 HydrophobicContact CE1-CD1 3.35Å; Y555-L559 HydrophobicContact CG-CD1 4.49Å; Y555-L559 PolarHBondContact O-N 3.38Å
556	I	50.8	Low	46.2	Very low	16 Å²	16	74 Å²	74	8%	0.082	40%	0.402	C	S	.	.	H	α-helix	trans	-68.3	-31.7	175.8	-62.5	177.4	0	0	0	111.2	Y80 S552 D554 L559 I560	Y80-I556 HydrophobicContact CE2-CD1 4.1Å; Y80-I556 HydrophobicContact CE2-CG2 4.46Å; Y80-I556 WeakPolarHBondContact OH-CD1 3.46Å; S552-I556 PolarHBondContact O-N 2.85Å; D554-I556 PolarHBondContact O-N 3.27Å; I556-L559 PolarHBondContact O-N 3.03Å; I556-I560 HydrophobicContact CG2-CD1 3.82Å; I556-I560 HydrophobicContact CG2-CG1 4.37Å; I556-I560 WeakPolarHBondContact O-CG1 3.45Å; I556-I560 PolarHBondContact O-N 2.67Å; I556-I560 VanDerWaalsContact O-N 3.09Å
557	K	51.8	Low	46.2	Very low	53 Å²	53	82 Å²	82	23%	0.23	44%	0.435	C	S	.	.	H	α-helix	trans	-62.3	-48.2	174.1	-81.9	176.1	176.2	-144.6	0	111.6	E72 S553 D554 Y555 L559 I560 E561	E72-K557 IonicContact OE1-NZ 3.93Å; E72-K557 PolarHBondContact OE1-NZ 3.24Å; E72-K557 VanDerWaalsContact OE2-CE 3.31Å; E72-K557 WeakPolarHBondContact OE2-CE 3.49Å; E72-K557 IonicContact OE2-NZ 2.84Å; E72-K557 PolarHBondContact OE2-NZ 3.35Å; S553-K557 VanDerWaalsContact O-CG 3.28Å; S553-K557 WeakPolarHBondContact O-CG 3.42Å; S553-K557 PolarHBondContact O-N 3.05Å; S553-K557 VanDerWaalsContact O-N 3.1Å; D554-K557 WeakPolarHBondContact O-CB 3.22Å; D554-K557 PolarHBondContact O-N 3.02Å; Y555-K557 VanDerWaalsContact C-N 3.31Å; Y555-K557 PolarHBondContact O-N 3.32Å; K557-L559 VanDerWaalsContact C-N 3.26Å; K557-L559 PolarHBondContact O-N 2.91Å; K557-I560 PolarHBondContact O-N 2.75Å; K557-E561 PolarHBondContact O-N 3Å
558	D	54.5	Low	46.4	Very low	103 Å²	103	85.4 Å²	85.4	55%	0.551	45%	0.452	S	S	*	.	H	α-helix	trans	-59	-39.1	-179.7	-67.5	-14.2	0	0	0	111.6	D554 Y555 E561 E562	D554-D558 PolarHBondContact O-N 2.84Å; Y555-D558 PolarHBondContact O-N 2.67Å; D558-E561 PolarHBondContact O-N 2.98Å; D558-E562 PolarHBondContact O-N 2.99Å; D558-E562 VanDerWaalsContact O-N 3.1Å
559	L	52.3	Low	46.8	Very low	37 Å²	37	85.5 Å²	85.5	19%	0.194	45%	0.448	C	S	.	.	H	α-helix	trans	-69	-38.9	176.8	-87.2	145	0	0	0	113.8	T87 Y555 I556 K557 E562 D563	T87-L559 HydrophobicContact CG2-CD1 3.36Å; T87-L559 HydrophobicContact CG2-CD2 4.47Å; Y555-L559 HydrophobicContact CD1-CD1 3.72Å; Y555-L559 HydrophobicContact CE1-CD1 3.35Å; Y555-L559 HydrophobicContact CG-CD1 4.49Å; Y555-L559 PolarHBondContact O-N 3.38Å; I556-L559 PolarHBondContact O-N 3.03Å; K557-L559 VanDerWaalsContact C-N 3.26Å; K557-L559 PolarHBondContact O-N 2.91Å; L559-E562 PolarHBondContact O-N 3.16Å; L559-D563 PolarHBondContact O-N 3.49Å; L559-D563 VanDerWaalsContact O-N 3.07Å
560	I	52.3	Low	47.2	Very low	18 Å²	18	84.2 Å²	84.2	9%	0.092	45%	0.445	C	S	.	.	H	α-helix	trans	-69.7	-36.5	176.5	-67.2	169.4	0	0	0	110.3	Y73 I556 K557 V564	Y73-I560 HydrophobicContact CD1-CG2 4.34Å; Y73-I560 HydrophobicContact CD2-CD1 3.92Å; Y73-I560 HydrophobicContact CD2-CG2 4.16Å; Y73-I560 HydrophobicContact CE1-CG2 3.97Å; Y73-I560 HydrophobicContact CE2-CB 4.28Å; Y73-I560 HydrophobicContact CE2-CD1 4.11Å; Y73-I560 HydrophobicContact CE2-CG2 3.78Å; Y73-I560 HydrophobicContact CG-CG2 4.43Å; I556-I560 HydrophobicContact CG2-CD1 3.82Å; I556-I560 HydrophobicContact CG2-CG1 4.37Å; I556-I560 WeakPolarHBondContact O-CG1 3.45Å; I556-I560 PolarHBondContact O-N 2.67Å; I556-I560 VanDerWaalsContact O-N 3.09Å; K557-I560 PolarHBondContact O-N 2.75Å; I560-V564 HydrophobicContact CG2-CG2 4.13Å; I560-V564 WeakPolarHBondContact O-CB 3.35Å; I560-V564 WeakPolarHBondContact O-CG2 3.33Å; I560-V564 PolarHBondContact O-N 3.39Å
561	E	53.3	Low	47.5	Very low	121 Å²	121	87.4 Å²	87.4	57%	0.565	46%	0.462	S	S	*	.	H	α-helix	trans	-63.7	-41	174	-75.9	-170.5	174.9	0	0	111.9	K557 D558 T565	K557-E561 PolarHBondContact O-N 3Å; D558-E561 PolarHBondContact O-N 2.98Å; E561-T565 WeakPolarHBondContact O-CG2 3.42Å; E561-T565 PolarHBondContact O-N 2.97Å; E561-T565 PolarHBondContact O-OG1 3.1Å
562	E	50.9	Low	47.8	Very low	133 Å²	133	90.6 Å²	90.6	62%	0.621	48%	0.48	S	S	*	.	H	α-helix	trans	-64	-50.7	175.1	-82.3	-171.7	153.5	0	0	112.5	D558 L559 V564 T565 D566	D558-E562 PolarHBondContact O-N 2.99Å; D558-E562 VanDerWaalsContact O-N 3.1Å; L559-E562 PolarHBondContact O-N 3.16Å; E562-V564 VanDerWaalsContact C-N 3.31Å; E562-V564 PolarHBondContact O-N 3.22Å; E562-T565 PolarHBondContact O-N 2.81Å; E562-T565 VanDerWaalsContact O-N 3.07Å; E562-T565 PolarHBondContact O-OG1 2.93Å; E562-D566 PolarHBondContact O-N 3.38Å
563	D	48.2	Very low	48.1	Very low	98 Å²	98	94.1 Å²	94.1	52%	0.524	50%	0.495	S	S	.	.	H	α-helix	trans	-67.5	-28.8	-177.4	-91.9	-8.6	0	0	0	113	L559	L559-D563 PolarHBondContact O-N 3.49Å; L559-D563 VanDerWaalsContact O-N 3.07Å
564	V	47.1	Very low	48.4	Very low	94 Å²	94	95.9 Å²	95.9	57%	0.57	50%	0.496	S	S	*	.	H	α-helix	trans	-77.9	-21.2	174.6	175.5	0	0	0	0	111.8	I560 E562	I560-V564 HydrophobicContact CG2-CG2 4.13Å; I560-V564 WeakPolarHBondContact O-CB 3.35Å; I560-V564 WeakPolarHBondContact O-CG2 3.33Å; I560-V564 PolarHBondContact O-N 3.39Å; E562-V564 VanDerWaalsContact C-N 3.31Å; E562-V564 PolarHBondContact O-N 3.22Å
565	T	47.3	Very low	48.5	Very low	111 Å²	111	94.7 Å²	94.7	68%	0.681	49%	0.488	S	S	*	.	H	α-helix	trans	-80.6	-18.2	171.9	52.9	0	0	0	0	114.2	E561 E562	E561-T565 WeakPolarHBondContact O-CG2 3.42Å; E561-T565 PolarHBondContact O-N 2.97Å; E561-T565 PolarHBondContact O-OG1 3.1Å; E562-T565 PolarHBondContact O-N 2.81Å; E562-T565 VanDerWaalsContact O-N 3.07Å; E562-T565 PolarHBondContact O-OG1 2.93Å
566	D	40.5	Very low	48.5	Very low	147 Å²	147	94.8 Å²	94.8	79%	0.786	50%	0.498	S	S	*	.			trans	-94.7	-1.2	177.5	-85.8	-14	0	0	0	114.1	E562	E562-D566 PolarHBondContact O-N 3.38Å
567	L	33.1	Very low	48.3	Very low	207 Å²	207	102 Å²	102	100%	1.084	54%	0.536	S	S	*	.			trans	-103.8	0	171.1	-84.9	161.5	0	0	0	111.7

Retrieved 567 of 567 residues in 209.1 ms (Link to these results)

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