A0A087Y384_POEFO Loading...

Voltage-gated delayed rectifier potassium channel KCNH4

Pore-forming (alpha) subunit of a voltage-gated delayed rectifier. Activates at more negative voltages, exhibits fast prepulse-independent activation kinetics and deactivates much more slowly, but shows no inactivation.

AlphaFold DB , UniProt , Accession A0A087Y384, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 701 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.4	Very low	53.8	Low	193 Å²	193	98.1 Å²	98.1	95%	0.951	54%	0.542	S	S	*	.				0	126.6	0	-70.5	177	172.6	0	0	107.1	Q375	M1-Q375 WeakPolarHBondContact O-CG 3.45Å; M1-Q375 PolarHBondContact O-NE2 3.47Å; M1-Q375 PolarHBondContact O-OE1 2.65Å
2	P	43.5	Very low	54.4	Low	103 Å²	103	96.3 Å²	96.3	67%	0.669	53%	0.531	S	S	*	.			trans	-47.1	146.3	173.5	21.1	-31.3	0	0	0	110.7	M4	P2-M4 PolarHBondContact O-N 3.23Å
3	V	54.3	Low	55.2	Low	46 Å²	46	92.9 Å²	92.9	28%	0.279	52%	0.515	S	S	.	.			trans	-47	122.1	176	175.8	0	0	0	0	107.4	K5 R372	V3-K5 WeakPolarHBondContact O-CG 3.44Å; V3-K5 PolarHBondContact O-N 3.24Å; V3-R372 HydrophobicContact CG2-CB 3.81Å; V3-R372 HydrophobicContact CG2-CG 3.6Å
4	M	56.5	Low	56.3	Low	159 Å²	159	87.2 Å²	87.2	78%	0.783	48%	0.482	S	S	*	.			trans	-55.5	107.2	177.8	-86.3	-171.7	143.5	0	0	107.2	P2 G6	P2-M4 PolarHBondContact O-N 3.23Å; M4-G6 PolarHBondContact O-N 2.79Å; M4-G6 VanDerWaalsContact O-N 3.08Å
5	K	60	Low	57.2	Low	121 Å²	121	86 Å²	86	53%	0.526	47%	0.474	S	S	.	.			trans	-71.1	-2.1	-178.3	-62.2	-175.7	177.6	175.7	0	111.9	V3 L8 V310	V3-K5 WeakPolarHBondContact O-CG 3.44Å; V3-K5 PolarHBondContact O-N 3.24Å; K5-L8 HydrophobicContact CB-CD1 3.63Å; K5-L8 VanDerWaalsContact O-CD1 3.28Å; K5-L8 WeakPolarHBondContact O-CD1 3.28Å; K5-L8 WeakPolarHBondContact O-CG 3.4Å; K5-V310 VanDerWaalsContact O-CG2 3.25Å; K5-V310 WeakPolarHBondContact O-CG2 3.38Å
6	G	58.6	Low	57.8	Low	24 Å²	24	86.6 Å²	86.6	25%	0.247	48%	0.477	C	S	.	.			trans	72.8	169.7	-167.9	0	0	0	0	0	112.3	M4 L8 G308	M4-G6 PolarHBondContact O-N 2.79Å; M4-G6 VanDerWaalsContact O-N 3.08Å; G6-L8 PolarHBondContact O-N 3.25Å; G6-G308 CarbonylContact C-O 3.56Å; G6-G308 WeakPolarHBondContact CA-O 3.29Å
7	L	59.8	Low	58.4	Low	121 Å²	121	84.5 Å²	84.5	63%	0.634	47%	0.47	S	S	*	.	B	Isolated β-bridge	trans	-68.7	98.8	170.2	-68.8	165.1	0	0	0	108.5	G308	L7-G308 PolarHBondContact N-O 3.02Å
8	L	57.5	Low	59.1	Low	62 Å²	62	79.9 Å²	79.9	33%	0.325	44%	0.444	S	S	.	.			trans	-101.8	7.9	-176.4	-74.8	166.4	0	0	0	113.4	K5 G6 Y235 V310 Y312	K5-L8 HydrophobicContact CB-CD1 3.63Å; K5-L8 VanDerWaalsContact O-CD1 3.28Å; K5-L8 WeakPolarHBondContact O-CD1 3.28Å; K5-L8 WeakPolarHBondContact O-CG 3.4Å; G6-L8 PolarHBondContact O-N 3.25Å; L8-Y235 HydrophobicContact CD1-CD1 4.46Å; L8-Y235 HydrophobicContact CD1-CE1 3.76Å; L8-Y235 HydrophobicContact CD1-CE2 4.26Å; L8-Y235 HydrophobicContact CD2-CE1 3.91Å; L8-Y235 WeakPolarHBondContact CD2-OH 3.28Å; L8-Y235 HydrophobicContact CG-CE1 4.45Å; L8-V310 HydrophobicContact CD2-CB 4.44Å; L8-V310 HydrophobicContact CD2-CG2 3.81Å; L8-V310 HydrophobicContact CG-CG2 4.28Å; L8-Y312 WeakPolarHBondContact CD2-OH 3.41Å
9	A	54.9	Low	59.5	Low	66 Å²	66	76.9 Å²	76.9	55%	0.545	43%	0.431	S	S	.	.			trans	-57.7	127.3	-177.5	0	0	0	0	0	108.9	Q11	A9-Q11 PolarHBondContact O-N 3.19Å
10	P	54.8	Low	59.8	Low	81 Å²	81	79.7 Å²	79.7	53%	0.526	45%	0.445	S	S	.	.			trans	-64.3	110.1	174.7	27.7	-32.6	0	0	0	107.4	V222	P10-V222 HydrophobicContact CB-CG1 3.69Å; P10-V222 HydrophobicContact CG-CG1 4.02Å
11	Q	56.3	Low	60.1	Low	103 Å²	103	79.7 Å²	79.7	48%	0.481	44%	0.441	S	S	.	.			trans	-93.3	136.4	-177.2	-73.8	176.8	-6.3	0	0	109.3	A9 T13	A9-Q11 PolarHBondContact O-N 3.19Å; Q11-T13 HydrophobicContact CB-CG2 3.98Å; Q11-T13 PolarHBondContact O-N 2.83Å
12	N	61.7	Low	61.5	Low	76 Å²	76	73.2 Å²	73.2	41%	0.406	41%	0.408	S	S	.	.			trans	-71.1	78.1	163.5	-74.5	-16.5	0	0	0	108.7	F14 V222	N12-F14 PolarHBondContact O-N 3.46Å; N12-V222 WeakPolarHBondContact OD1-CA 3.35Å; N12-V222 WeakPolarHBondContact OD1-CB 3.44Å; N12-V222 WeakPolarHBondContact OD1-CG2 3.4Å; N12-V222 PolarHBondContact OD1-N 2.87Å
13	T	64.7	Low	62	Low	53 Å²	53	76.4 Å²	76.4	33%	0.325	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	21.9	172.4	51.2	0	0	0	0	112	Q11 D16 S17	Q11-T13 HydrophobicContact CB-CG2 3.98Å; Q11-T13 PolarHBondContact O-N 2.83Å; T13-D16 PolarHBondContact O-N 3.18Å; T13-S17 VanDerWaalsContact O-CB 3.3Å; T13-S17 WeakPolarHBondContact O-CB 3.42Å; T13-S17 PolarHBondContact O-N 2.63Å; T13-S17 PolarHBondContact O-OG 3.43Å
14	F	69.9	Low	62	Low	13 Å²	13	75.5 Å²	75.5	6%	0.057	42%	0.419	C	S	.	.	H	α-helix	trans	-61.9	-47.3	-176.2	173.6	-102.5	0	0	0	111.2	N12 S17 I18 L31 I116 L125 P218 Y220	N12-F14 PolarHBondContact O-N 3.46Å; F14-S17 PolarHBondContact O-N 2.97Å; F14-I18 HydrophobicContact CD1-CD1 4.05Å; F14-I18 HydrophobicContact CD2-CD1 4.36Å; F14-I18 HydrophobicContact CE1-CD1 3.41Å; F14-I18 VanDerWaalsContact CE1-CD1 3.41Å; F14-I18 HydrophobicContact CE2-CD1 3.77Å; F14-I18 HydrophobicContact CE2-CG1 4.48Å; F14-I18 HydrophobicContact CG-CD1 4.49Å; F14-I18 HydrophobicContact CZ-CD1 3.25Å; F14-I18 HydrophobicContact CZ-CG1 4.38Å; F14-I18 WeakPolarHBondContact O-CG1 3.39Å; F14-I18 PolarHBondContact O-N 3.17Å; F14-L31 HydrophobicContact CE1-CD1 3.95Å; F14-L31 HydrophobicContact CE1-CD2 4.31Å; F14-I116 HydrophobicContact CE2-CD1 4.42Å; F14-I116 HydrophobicContact CE2-CG2 3.89Å; F14-I116 HydrophobicContact CZ-CD1 3.6Å; F14-I116 HydrophobicContact CZ-CG1 4.34Å; F14-I116 HydrophobicContact CZ-CG2 3.98Å; F14-L125 HydrophobicContact CE1-CD1 3.98Å; F14-L125 HydrophobicContact CZ-CD1 4.27Å; F14-P218 HydrophobicContact CE2-CB 4.46Å; F14-P218 HydrophobicContact CE2-CG 4.38Å; F14-Y220 HydrophobicContact CB-CD2 4.46Å; F14-Y220 AromaticContact CD1-CD2 3.8Å; F14-Y220 HydrophobicContact CD1-CD2 3.8Å; F14-Y220 HydrophobicContact CD1-CE2 4.25Å; F14-Y220 HydrophobicContact CD2-CD2 4.21Å; F14-Y220 HydrophobicContact CE1-CD2 4.04Å; F14-Y220 HydrophobicContact CE2-CD2 4.44Å; F14-Y220 AromaticContact CG-CD2 3.88Å; F14-Y220 HydrophobicContact CG-CD2 3.88Å; F14-Y220 HydrophobicContact CZ-CD2 4.35Å
15	L	69.6	Low	61.6	Low	69 Å²	69	72.4 Å²	72.4	36%	0.361	41%	0.409	S	S	.	.	H	α-helix	trans	-65	-42.3	176.2	-68.8	176.9	0	0	0	111.9	S17 I18 A19 L31 Y44	L15-S17 VanDerWaalsContact C-N 3.29Å; L15-S17 PolarHBondContact O-N 3.29Å; L15-I18 PolarHBondContact O-N 3.29Å; L15-A19 WeakPolarHBondContact O-CB 3.19Å; L15-A19 PolarHBondContact O-N 2.91Å; L15-L31 HydrophobicContact CD2-CD1 3.47Å; L15-L31 VanDerWaalsContact CD2-CD1 3.47Å; L15-Y44 HydrophobicContact CD1-CD2 4.49Å; L15-Y44 HydrophobicContact CD1-CE2 4.34Å; L15-Y44 HydrophobicContact CD2-CD1 4.17Å; L15-Y44 HydrophobicContact CD2-CE1 4.23Å; L15-Y44 HydrophobicContact CD2-CG 4.36Å
16	D	66.7	Low	61.2	Low	96 Å²	96	73.3 Å²	73.3	51%	0.513	42%	0.415	S	S	.	.	H	α-helix	trans	-64	-37	177.3	-59.2	-30.7	0	0	0	111.6	T13 A19 N20	T13-D16 PolarHBondContact O-N 3.18Å; D16-A19 PolarHBondContact O-N 3.06Å; D16-N20 WeakPolarHBondContact O-CB 3.41Å; D16-N20 VanDerWaalsContact O-CG 3.22Å; D16-N20 PolarHBondContact O-N 3.13Å; D16-N20 PolarHBondContact O-ND2 3.16Å; D16-N20 VanDerWaalsContact O-ND2 3.08Å
17	S	69.6	Low	61.9	Low	51 Å²	51	72.9 Å²	72.9	36%	0.357	41%	0.408	S	S	.	.	H	α-helix	trans	-67.1	-39.7	177.1	-61.9	0	0	0	0	111.5	T13 F14 L15 H21	T13-S17 VanDerWaalsContact O-CB 3.3Å; T13-S17 WeakPolarHBondContact O-CB 3.42Å; T13-S17 PolarHBondContact O-N 2.63Å; T13-S17 PolarHBondContact O-OG 3.43Å; F14-S17 PolarHBondContact O-N 2.97Å; L15-S17 VanDerWaalsContact C-N 3.29Å; L15-S17 PolarHBondContact O-N 3.29Å; S17-H21 VanDerWaalsContact O-CB 3.24Å; S17-H21 WeakPolarHBondContact O-CB 3.3Å; S17-H21 PolarHBondContact O-N 3.39Å
18	I	70.6	Confident	63.1	Low	1 Å²	1	68.9 Å²	68.9	1%	0.005	39%	0.387	C	S	.	.	H	α-helix	trans	-67.4	-48.6	173.8	-69.1	172.8	0	0	0	110.1	F14 L15 N20 H21 F22 F29 L31 L127 P218	F14-I18 HydrophobicContact CD1-CD1 4.05Å; F14-I18 HydrophobicContact CD2-CD1 4.36Å; F14-I18 HydrophobicContact CE1-CD1 3.41Å; F14-I18 VanDerWaalsContact CE1-CD1 3.41Å; F14-I18 HydrophobicContact CE2-CD1 3.77Å; F14-I18 HydrophobicContact CE2-CG1 4.48Å; F14-I18 HydrophobicContact CG-CD1 4.49Å; F14-I18 HydrophobicContact CZ-CD1 3.25Å; F14-I18 HydrophobicContact CZ-CG1 4.38Å; F14-I18 WeakPolarHBondContact O-CG1 3.39Å; F14-I18 PolarHBondContact O-N 3.17Å; L15-I18 PolarHBondContact O-N 3.29Å; I18-N20 VanDerWaalsContact C-N 3.28Å; I18-N20 PolarHBondContact O-N 2.7Å; I18-H21 WeakPolarHBondContact O-CB 3.1Å; I18-H21 PolarHBondContact O-N 2.86Å; I18-F22 HydrophobicContact CG2-CD2 3.77Å; I18-F22 HydrophobicContact CG2-CE2 3.95Å; I18-F22 WeakPolarHBondContact O-CD2 3.45Å; I18-F22 PolarHBondContact O-N 3.4Å; I18-F22 VanDerWaalsContact O-N 3.09Å; I18-F29 HydrophobicContact CG2-CD1 4.41Å; I18-F29 HydrophobicContact CG2-CD2 4.24Å; I18-F29 HydrophobicContact CG2-CE1 3.98Å; I18-F29 HydrophobicContact CG2-CE2 3.79Å; I18-F29 HydrophobicContact CG2-CZ 3.64Å; I18-L31 HydrophobicContact CD1-CD2 4.28Å; I18-L127 HydrophobicContact CG2-CD1 4.39Å; I18-P218 HydrophobicContact CG1-CG 3.8Å
19	A	66.2	Low	64.6	Low	23 Å²	23	66.2 Å²	66.2	19%	0.19	37%	0.373	C	S	.	.	H	α-helix	trans	-57.4	-41	179.2	0	0	0	0	0	112.4	L15 D16 G24	L15-A19 WeakPolarHBondContact O-CB 3.19Å; L15-A19 PolarHBondContact O-N 2.91Å; D16-A19 PolarHBondContact O-N 3.06Å; A19-G24 WeakPolarHBondContact O-CA 3.29Å; A19-G24 PolarHBondContact O-N 3.17Å
20	N	65.1	Low	66.3	Low	133 Å²	133	63.1 Å²	63.1	71%	0.711	35%	0.347	S	S	*	.	H	α-helix	trans	-71.5	-28	175	-71.8	-31.9	0	0	0	113.5	D16 I18	D16-N20 WeakPolarHBondContact O-CB 3.41Å; D16-N20 VanDerWaalsContact O-CG 3.22Å; D16-N20 PolarHBondContact O-N 3.13Å; D16-N20 PolarHBondContact O-ND2 3.16Å; D16-N20 VanDerWaalsContact O-ND2 3.08Å; I18-N20 VanDerWaalsContact C-N 3.28Å; I18-N20 PolarHBondContact O-N 2.7Å
21	H	67.1	Low	68	Low	80 Å²	80	59.5 Å²	59.5	37%	0.37	32%	0.323	S	S	.	.	H	α-helix	trans	-73.8	-28.1	178.3	-176.7	-84.8	0	0	0	112.5	S17 I18 P215	S17-H21 VanDerWaalsContact O-CB 3.24Å; S17-H21 WeakPolarHBondContact O-CB 3.3Å; S17-H21 PolarHBondContact O-N 3.39Å; I18-H21 WeakPolarHBondContact O-CB 3.1Å; I18-H21 PolarHBondContact O-N 2.86Å; H21-P215 WeakPolarHBondContact NE2-CB 3.31Å; H21-P215 WeakPolarHBondContact NE2-CG 3.26Å
22	F	64.2	Low	69.6	Low	57 Å²	57	54.6 Å²	54.6	25%	0.25	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	42.2	-177.3	-70.2	-87.2	0	0	0	113.3	I18 G24 S27 L127	I18-F22 HydrophobicContact CG2-CD2 3.77Å; I18-F22 HydrophobicContact CG2-CE2 3.95Å; I18-F22 WeakPolarHBondContact O-CD2 3.45Å; I18-F22 PolarHBondContact O-N 3.4Å; I18-F22 VanDerWaalsContact O-N 3.09Å; F22-G24 PolarHBondContact O-N 3.12Å; F22-G24 VanDerWaalsContact O-N 3.09Å; F22-S27 WeakPolarHBondContact CB-OG 3.46Å; F22-S27 WeakPolarHBondContact O-CB 3.48Å; F22-L127 HydrophobicContact CE2-CD2 3.83Å; F22-L127 HydrophobicContact CZ-CD2 3.89Å
23	D	54.3	Low	70.9	Confident	170 Å²	170	53.9 Å²	53.9	91%	0.909	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	21.9	175.8	-71.3	-21.9	0	0	0	116
24	G	53.7	Low	71.8	Confident	26 Å²	26	51.8 Å²	51.8	27%	0.268	29%	0.285	S	S	.	.	S	Bend	trans	110.5	-170.6	174.3	0	0	0	0	0	115	A19 F22 H26 S27	A19-G24 WeakPolarHBondContact O-CA 3.29Å; A19-G24 PolarHBondContact O-N 3.17Å; F22-G24 PolarHBondContact O-N 3.12Å; F22-G24 VanDerWaalsContact O-N 3.09Å; G24-H26 PolarHBondContact O-N 3.4Å; G24-S27 PolarHBondContact O-N 3.4Å; G24-S27 PolarHBondContact O-OG 2.89Å
25	T	48.4	Very low	72	Confident	94 Å²	94	56.6 Å²	56.6	58%	0.577	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-4.3	-172.1	46.6	0	0	0	0	115.3
26	H	52.4	Low	71.5	Confident	141 Å²	141	56.3 Å²	56.3	65%	0.653	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	11.2	179.4	-61.9	-68.8	0	0	0	113.4	G24 N28	G24-H26 PolarHBondContact O-N 3.4Å; H26-N28 PolarHBondContact O-OD1 2.92Å
27	S	72.2	Confident	70.9	Confident	14 Å²	14	63.2 Å²	63.2	10%	0.098	34%	0.335	C	S	.	.			trans	-77.4	135.2	173.6	46.3	0	0	0	0	111.9	F22 G24 F29 S46	F22-S27 WeakPolarHBondContact CB-OG 3.46Å; F22-S27 WeakPolarHBondContact O-CB 3.48Å; G24-S27 PolarHBondContact O-N 3.4Å; G24-S27 PolarHBondContact O-OG 2.89Å; S27-F29 PolarHBondContact O-N 3.14Å; S27-F29 WeakPolarHBondContact OG-CE1 3.42Å; S27-S46 WeakPolarHBondContact O-CB 3.24Å; S27-S46 PolarHBondContact O-OG 2.86Å
28	N	86.4	Confident	70.3	Confident	38 Å²	38	68.8 Å²	68.8	20%	0.203	35%	0.35	C	S	.	.			trans	-94.4	89.1	-175.8	-51.8	-30.4	0	0	0	109.6	H26 G48 L52 F130	H26-N28 PolarHBondContact O-OD1 2.92Å; N28-G48 VanDerWaalsContact OD1-CA 3.27Å; N28-G48 WeakPolarHBondContact OD1-CA 3.45Å; N28-G48 PolarHBondContact OD1-O 3.08Å; N28-G48 VanDerWaalsContact OD1-O 3.05Å; N28-L52 HydrophobicContact CB-CD2 4.22Å; N28-F130 HydrophobicContact CB-CB 4.13Å; N28-F130 VanDerWaalsContact CB-O 3.27Å; N28-F130 WeakPolarHBondContact CB-O 3.43Å; N28-F130 PolarHBondContact ND2-O 2.99Å; N28-F130 PolarHBondContact O-N 3.15Å
29	F	89	Confident	70.1	Confident	6 Å²	6	74 Å²	74	3%	0.026	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	159	177.9	72.5	-87.9	0	0	0	114.6	I18 S27 L31 Y44 S46 L127 L128	I18-F29 HydrophobicContact CG2-CD1 4.41Å; I18-F29 HydrophobicContact CG2-CD2 4.24Å; I18-F29 HydrophobicContact CG2-CE1 3.98Å; I18-F29 HydrophobicContact CG2-CE2 3.79Å; I18-F29 HydrophobicContact CG2-CZ 3.64Å; S27-F29 PolarHBondContact O-N 3.14Å; S27-F29 WeakPolarHBondContact OG-CE1 3.42Å; F29-L31 HydrophobicContact CD2-CG 4.46Å; F29-L31 HydrophobicContact CE2-CG 4.38Å; F29-Y44 AromaticContact CE2-CD1 3.85Å; F29-Y44 HydrophobicContact CE2-CD1 3.85Å; F29-Y44 AromaticContact CE2-CE1 3.64Å; F29-Y44 HydrophobicContact CE2-CE1 3.64Å; F29-Y44 HydrophobicContact CZ-CD1 4.46Å; F29-Y44 AromaticContact CZ-CE1 3.79Å; F29-Y44 HydrophobicContact CZ-CE1 3.79Å; F29-S46 PolarHBondContact N-OG 2.95Å; F29-S46 WeakPolarHBondContact O-CB 3.48Å; F29-S46 PolarHBondContact O-N 2.8Å; F29-S46 PolarHBondContact O-OG 3.47Å; F29-L127 HydrophobicContact CB-CD1 4.01Å; F29-L127 HydrophobicContact CD2-CD1 3.61Å; F29-L127 HydrophobicContact CE2-CD1 4.41Å; F29-L127 HydrophobicContact CG-CD1 4.05Å; F29-L128 CarbonylContact C-O 3.57Å; F29-L128 WeakPolarHBondContact CA-O 3.33Å; F29-L128 VanDerWaalsContact CB-O 3.32Å; F29-L128 WeakPolarHBondContact CB-O 3.49Å
30	L	90.2	Very high	71	Confident	0 Å²	0	75.7 Å²	75.7	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	151.8	172.8	-60.6	177.6	0	0	0	110.4	I42 Y44 C45 F49 V60 L128 F130	L30-I42 HydrophobicContact CD1-CD1 3.99Å; L30-I42 HydrophobicContact CD2-CG2 4.31Å; L30-Y44 WeakPolarHBondContact CA-O 3.12Å; L30-C45 HydrophobicContact CD2-CB 3.19Å; L30-F49 HydrophobicContact CD1-CD2 4.31Å; L30-F49 HydrophobicContact CD1-CE1 4.23Å; L30-F49 HydrophobicContact CD1-CE2 3.75Å; L30-F49 HydrophobicContact CD1-CZ 3.7Å; L30-F49 HydrophobicContact CD2-CB 4.46Å; L30-F49 HydrophobicContact CD2-CD1 3.6Å; L30-F49 HydrophobicContact CD2-CD2 4.07Å; L30-F49 HydrophobicContact CD2-CE1 3.76Å; L30-F49 HydrophobicContact CD2-CE2 4.2Å; L30-F49 HydrophobicContact CD2-CG 3.76Å; L30-F49 HydrophobicContact CD2-CZ 4.04Å; L30-F49 HydrophobicContact CG-CD1 4.36Å; L30-F49 HydrophobicContact CG-CD2 3.96Å; L30-F49 HydrophobicContact CG-CE1 4.35Å; L30-F49 HydrophobicContact CG-CE2 3.93Å; L30-F49 HydrophobicContact CG-CG 4.17Å; L30-F49 HydrophobicContact CG-CZ 4.12Å; L30-V60 HydrophobicContact CD2-CG1 3.94Å; L30-L128 HydrophobicContact CB-CB 4.31Å; L30-L128 PolarHBondContact N-O 2.88Å; L30-L128 PolarHBondContact O-N 2.87Å; L30-F130 HydrophobicContact CB-CE2 4.21Å; L30-F130 HydrophobicContact CD1-CE2 3.65Å; L30-F130 HydrophobicContact CD1-CZ 3.72Å; L30-F130 HydrophobicContact CG-CE2 3.68Å; L30-F130 HydrophobicContact CG-CZ 4.28Å
31	L	89.8	Confident	72.2	Confident	5 Å²	5	74.6 Å²	74.6	3%	0.026	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	127.7	166.9	-60.2	168.4	0	0	0	110.5	F14 L15 I18 F29 I42 V43 Y44 I116 F126 L127	F14-L31 HydrophobicContact CE1-CD1 3.95Å; F14-L31 HydrophobicContact CE1-CD2 4.31Å; L15-L31 HydrophobicContact CD2-CD1 3.47Å; L15-L31 VanDerWaalsContact CD2-CD1 3.47Å; I18-L31 HydrophobicContact CD1-CD2 4.28Å; F29-L31 HydrophobicContact CD2-CG 4.46Å; F29-L31 HydrophobicContact CE2-CG 4.38Å; L31-I42 WeakPolarHBondContact O-CA 3.46Å; L31-V43 HydrophobicContact CB-CG2 4.05Å; L31-V43 VanDerWaalsContact O-CG2 3.3Å; L31-V43 WeakPolarHBondContact O-CG2 3.43Å; L31-V43 PolarHBondContact O-N 3.46Å; L31-Y44 HydrophobicContact CD1-CD1 4.03Å; L31-Y44 HydrophobicContact CD1-CG 4.28Å; L31-Y44 HydrophobicContact CG-CD1 4.32Å; L31-Y44 PolarHBondContact N-O 3.01Å; L31-Y44 PolarHBondContact O-N 3.22Å; L31-I116 HydrophobicContact CD2-CD1 3.89Å; L31-F126 CarbonylContact C-O 3.45Å; L31-F126 VanDerWaalsContact CA-O 3.31Å; L31-F126 WeakPolarHBondContact CA-O 3.49Å; L31-L127 HydrophobicContact CD2-CB 4.23Å; L31-L127 HydrophobicContact CD2-CD1 3.65Å
32	G	89.6	Confident	73.3	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	145.3	175.4	0	0	0	0	0	112.5	R41 C65 L125 F126	G32-R41 WeakPolarHBondContact CA-O 3.33Å; G32-C65 WeakPolarHBondContact CA-SG 3.13Å; G32-L125 CarbonylContact O-C 3.46Å; G32-L125 WeakPolarHBondContact O-CA 3.36Å; G32-L125 VanDerWaalsContact O-CD2 3.3Å; G32-L125 WeakPolarHBondContact O-CD2 3.36Å; G32-F126 PolarHBondContact N-O 3.23Å; G32-F126 PolarHBondContact O-N 2.81Å
33	N	89.2	Confident	74.5	Confident	61 Å²	61	70.9 Å²	70.9	33%	0.326	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	125	168.2	-172.3	5.7	0	0	0	110.3	R35 R41 V43 V124	N33-R35 PolarHBondContact ND2-O 2.81Å; N33-R35 PolarHBondContact OD1-N 3.31Å; N33-R35 PolarHBondContact OD1-O 2.88Å; N33-R41 PolarHBondContact N-O 3.22Å; N33-V43 HydrophobicContact CB-CG1 3.94Å; N33-V124 PolarHBondContact OD1-O 3.49Å
34	A	84.4	Confident	76.2	Confident	10 Å²	10	66.1 Å²	66.1	8%	0.083	32%	0.323	C	S	.	.			trans	-87.6	-11.5	175.4	0	0	0	0	0	112.9	V123 V124 F126	A34-V123 HydrophobicContact CB-CG1 3.73Å; A34-V124 PolarHBondContact N-O 2.78Å; A34-F126 HydrophobicContact CB-CD2 3.7Å; A34-F126 HydrophobicContact CB-CE2 3.42Å; A34-F126 VanDerWaalsContact CB-CE2 3.42Å; A34-F126 HydrophobicContact CB-CZ 4.04Å
35	R	72.8	Confident	77.9	Confident	114 Å²	114	64.9 Å²	64.9	43%	0.43	31%	0.31	S	S	.	.	S	Bend	trans	-113.3	104.1	-176.6	-69.3	-177.2	171.5	-157.9	-15.5	111.9	N33 E122 V123	N33-R35 PolarHBondContact ND2-O 2.81Å; N33-R35 PolarHBondContact OD1-N 3.31Å; N33-R35 PolarHBondContact OD1-O 2.88Å; R35-E122 IonicContact CZ-OE2 3.87Å; R35-E122 IonicContact NH1-OE2 2.67Å; R35-E122 IonicContact NH2-OE1 3.82Å; R35-E122 IonicContact NH2-OE2 2.73Å; R35-E122 PolarHBondContact NH2-OE2 3.04Å; R35-V123 PolarHBondContact NE-O 3.5Å
36	G	59.8	Low	79.8	Confident	63 Å²	63	60.6 Å²	60.6	65%	0.649	28%	0.283	S	S	*	.	S	Bend	trans	173.1	152.7	170.9	0	0	0	0	0	111.5	Y38	G36-Y38 PolarHBondContact O-N 3.29Å; G36-Y38 VanDerWaalsContact O-N 3.13Å
37	R	54.3	Low	81.5	Confident	241 Å²	241	57.8 Å²	57.8	91%	0.909	27%	0.273	S	S	*	.	S	Bend	trans	-71.9	9	173	-76.6	-175.7	174.5	177.5	-1.8	113.5
38	Y	56	Low	82.1	Confident	168 Å²	168	57.1 Å²	57.1	66%	0.659	27%	0.269	S	S	*	.	S	Bend	trans	-140.2	100.3	-168.8	-58.5	-73.2	0	0	0	111.3	G36 Y40	G36-Y38 PolarHBondContact O-N 3.29Å; G36-Y38 VanDerWaalsContact O-N 3.13Å; Y38-Y40 PolarHBondContact O-N 3.16Å
39	D	68	Low	82.3	Confident	111 Å²	111	55.3 Å²	55.3	59%	0.594	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.9	32.5	151.7	-50.2	-24	0	0	0	120.3	R41 T64	D39-R41 PolarHBondContact O-N 3.04Å; D39-T64 HydrophobicContact CB-CG2 3.79Å
40	Y	85.1	Confident	82.3	Confident	57 Å²	57	56.1 Å²	56.1	22%	0.224	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	44.4	64.8	172.6	-49.6	-69.4	0	0	0	113	Y38 C65 L87 E88 F126	Y38-Y40 PolarHBondContact O-N 3.16Å; Y40-C65 WeakPolarHBondContact O-CB 3.47Å; Y40-C65 PolarHBondContact O-N 3.46Å; Y40-C65 PolarHBondContact O-SG 3.37Å; Y40-L87 HydrophobicContact CD2-CB 4.17Å; Y40-L87 HydrophobicContact CE2-CB 4.15Å; Y40-E88 HydrophobicContact CE2-CG 4.3Å; Y40-E88 WeakPolarHBondContact OH-CA 3.36Å; Y40-F126 HydrophobicContact CD1-CD2 4.45Å; Y40-F126 AromaticContact CD1-CE2 3.78Å; Y40-F126 HydrophobicContact CD1-CE2 3.78Å; Y40-F126 HydrophobicContact CE1-CE2 4.13Å
41	R	89	Confident	82.3	Confident	110 Å²	110	62.7 Å²	62.7	42%	0.415	30%	0.296	S	S	.	.	B	Isolated β-bridge	trans	-74.2	144.3	-172.4	-65.2	-169.6	-178.8	-175.3	-1	113.6	G32 N33 D39 Q62 K63	G32-R41 WeakPolarHBondContact CA-O 3.33Å; N33-R41 PolarHBondContact N-O 3.22Å; D39-R41 PolarHBondContact O-N 3.04Å; R41-Q62 VanDerWaalsContact CD-OE1 3.3Å; R41-K63 CarbonylContact C-O 3.52Å; R41-K63 WeakPolarHBondContact CA-O 3.46Å
42	I	90.9	Very high	82.2	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	124.7	175	-60.4	161.8	0	0	0	109.9	L30 L31 Y44 V60 Q62 K63 T64 F69	L30-I42 HydrophobicContact CD1-CD1 3.99Å; L30-I42 HydrophobicContact CD2-CG2 4.31Å; L31-I42 WeakPolarHBondContact O-CA 3.46Å; I42-Y44 WeakPolarHBondContact CG2-O 3.28Å; I42-V60 HydrophobicContact CD1-CG1 4.12Å; I42-V60 HydrophobicContact CG2-CG1 4.28Å; I42-Q62 PolarHBondContact O-N 3.25Å; I42-K63 HydrophobicContact CD1-CB 4.25Å; I42-K63 WeakPolarHBondContact CG1-O 3.42Å; I42-K63 PolarHBondContact N-O 2.94Å; I42-T64 WeakPolarHBondContact CD1-O 3.48Å; I42-F69 HydrophobicContact CD1-CE1 4.13Å; I42-F69 HydrophobicContact CD1-CZ 4.49Å
43	V	89.6	Confident	82.2	Confident	59 Å²	59	63.1 Å²	63.1	36%	0.358	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	-12.9	-179.9	-63.4	0	0	0	0	113.5	L31 N33 M61 L125	L31-V43 HydrophobicContact CB-CG2 4.05Å; L31-V43 VanDerWaalsContact O-CG2 3.3Å; L31-V43 WeakPolarHBondContact O-CG2 3.43Å; L31-V43 PolarHBondContact O-N 3.46Å; N33-V43 HydrophobicContact CB-CG1 3.94Å; V43-M61 WeakPolarHBondContact O-CE 3.29Å; V43-L125 HydrophobicContact CG2-CD2 3.92Å
44	Y	88.9	Confident	82.2	Confident	71 Å²	71	62.2 Å²	62.2	28%	0.278	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	146.4	174.9	-179.8	-98.1	0	0	0	111.1	L15 F29 L30 L31 I42	L15-Y44 HydrophobicContact CD1-CD2 4.49Å; L15-Y44 HydrophobicContact CD1-CE2 4.34Å; L15-Y44 HydrophobicContact CD2-CD1 4.17Å; L15-Y44 HydrophobicContact CD2-CE1 4.23Å; L15-Y44 HydrophobicContact CD2-CG 4.36Å; F29-Y44 AromaticContact CE2-CD1 3.85Å; F29-Y44 HydrophobicContact CE2-CD1 3.85Å; F29-Y44 AromaticContact CE2-CE1 3.64Å; F29-Y44 HydrophobicContact CE2-CE1 3.64Å; F29-Y44 HydrophobicContact CZ-CD1 4.46Å; F29-Y44 AromaticContact CZ-CE1 3.79Å; F29-Y44 HydrophobicContact CZ-CE1 3.79Å; L30-Y44 WeakPolarHBondContact CA-O 3.12Å; L31-Y44 HydrophobicContact CD1-CD1 4.03Å; L31-Y44 HydrophobicContact CD1-CG 4.28Å; L31-Y44 HydrophobicContact CG-CD1 4.32Å; L31-Y44 PolarHBondContact N-O 3.01Å; L31-Y44 PolarHBondContact O-N 3.22Å; I42-Y44 WeakPolarHBondContact CG2-O 3.28Å
45	C	89.3	Confident	82.5	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	134.6	168.4	71	0	0	0	0	111	L30 F49 C50 R57 V60	L30-C45 HydrophobicContact CD2-CB 3.19Å; C45-F49 HydrophobicContact CB-CD1 4.29Å; C45-C50 VanDerWaalsContact SG-SG 3.63Å; C45-R57 PolarHBondContact O-NE 3.27Å; C45-R57 PolarHBondContact O-NH2 3.47Å; C45-R57 VanDerWaalsContact SG-CA 3.6Å; C45-R57 VanDerWaalsContact SG-CB 3.55Å; C45-R57 WeakPolarHBondContact SG-CG 3.31Å; C45-V60 HydrophobicContact CB-CG1 4.07Å
46	S	88.9	Confident	83.4	Confident	3 Å²	3	61.5 Å²	61.5	2%	0.021	31%	0.308	C	S	.	.			trans	-65.3	158.7	172.6	56.5	0	0	0	0	112.2	S27 F29 F49 C50	S27-S46 WeakPolarHBondContact O-CB 3.24Å; S27-S46 PolarHBondContact O-OG 2.86Å; F29-S46 PolarHBondContact N-OG 2.95Å; F29-S46 WeakPolarHBondContact O-CB 3.48Å; F29-S46 PolarHBondContact O-N 2.8Å; F29-S46 PolarHBondContact O-OG 3.47Å; S46-F49 VanDerWaalsContact OG-CB 3.27Å; S46-F49 WeakPolarHBondContact OG-CB 3.18Å; S46-F49 PolarHBondContact OG-N 3.45Å; S46-C50 PolarHBondContact O-N 2.85Å; S46-C50 PolarHBondContact O-SG 2.99Å
47	D	87.3	Confident	84.8	Confident	82 Å²	82	62.9 Å²	62.9	44%	0.439	29%	0.294	S	S	.	.	H	α-helix	trans	-68	-39.6	174.8	-64.2	-34.8	0	0	0	110.9	F49 C50 E51 R57	D47-F49 VanDerWaalsContact C-N 3.31Å; D47-F49 PolarHBondContact O-N 3.49Å; D47-C50 WeakPolarHBondContact O-CA 3.4Å; D47-C50 WeakPolarHBondContact O-CB 3.43Å; D47-C50 PolarHBondContact O-N 3.18Å; D47-E51 PolarHBondContact O-N 2.76Å; D47-R57 IonicContact OD1-CZ 3.88Å; D47-R57 IonicContact OD1-NH1 2.73Å; D47-R57 IonicContact OD1-NH2 3.62Å; D47-R57 PolarHBondContact OD1-NH2 2.87Å
48	G	86.6	Confident	86.5	Confident	1 Å²	1	57 Å²	57	1%	0.01	28%	0.284	C	S	.	.	H	α-helix	trans	-56.9	-40.1	174.5	0	0	0	0	0	113.4	N28 C50 E51 L52	N28-G48 VanDerWaalsContact OD1-CA 3.27Å; N28-G48 WeakPolarHBondContact OD1-CA 3.45Å; N28-G48 PolarHBondContact OD1-O 3.08Å; N28-G48 VanDerWaalsContact OD1-O 3.05Å; G48-C50 VanDerWaalsContact C-N 3.32Å; G48-C50 PolarHBondContact O-N 2.83Å; G48-E51 PolarHBondContact O-N 2.8Å; G48-L52 WeakPolarHBondContact O-CB 3.37Å; G48-L52 PolarHBondContact O-N 2.83Å
49	F	89.3	Confident	88.2	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-62.6	-38.2	173.8	177.4	-89.2	0	0	0	112.7	L30 C45 S46 D47 L52 T53 V60 F69 L70 F130	L30-F49 HydrophobicContact CD1-CD2 4.31Å; L30-F49 HydrophobicContact CD1-CE1 4.23Å; L30-F49 HydrophobicContact CD1-CE2 3.75Å; L30-F49 HydrophobicContact CD1-CZ 3.7Å; L30-F49 HydrophobicContact CD2-CB 4.46Å; L30-F49 HydrophobicContact CD2-CD1 3.6Å; L30-F49 HydrophobicContact CD2-CD2 4.07Å; L30-F49 HydrophobicContact CD2-CE1 3.76Å; L30-F49 HydrophobicContact CD2-CE2 4.2Å; L30-F49 HydrophobicContact CD2-CG 3.76Å; L30-F49 HydrophobicContact CD2-CZ 4.04Å; L30-F49 HydrophobicContact CG-CD1 4.36Å; L30-F49 HydrophobicContact CG-CD2 3.96Å; L30-F49 HydrophobicContact CG-CE1 4.35Å; L30-F49 HydrophobicContact CG-CE2 3.93Å; L30-F49 HydrophobicContact CG-CG 4.17Å; L30-F49 HydrophobicContact CG-CZ 4.12Å; C45-F49 HydrophobicContact CB-CD1 4.29Å; S46-F49 VanDerWaalsContact OG-CB 3.27Å; S46-F49 WeakPolarHBondContact OG-CB 3.18Å; S46-F49 PolarHBondContact OG-N 3.45Å; D47-F49 VanDerWaalsContact C-N 3.31Å; D47-F49 PolarHBondContact O-N 3.49Å; F49-L52 PolarHBondContact O-N 2.79Å; F49-T53 HydrophobicContact CD1-CG2 4.43Å; F49-T53 HydrophobicContact CD2-CG2 4.14Å; F49-T53 HydrophobicContact CE1-CG2 3.99Å; F49-T53 HydrophobicContact CE2-CG2 3.68Å; F49-T53 HydrophobicContact CZ-CG2 3.61Å; F49-T53 WeakPolarHBondContact O-CG2 3.3Å; F49-T53 PolarHBondContact O-N 3.42Å; F49-T53 PolarHBondContact O-OG1 2.96Å; F49-V60 HydrophobicContact CD1-CG1 4.48Å; F49-V60 HydrophobicContact CE1-CG1 3.83Å; F49-V60 HydrophobicContact CE1-CG2 3.95Å; F49-F69 HydrophobicContact CZ-CE2 4.44Å; F49-F69 HydrophobicContact CZ-CZ 4.26Å; F49-L70 HydrophobicContact CE2-CD1 4.32Å; F49-L70 HydrophobicContact CZ-CD1 4.07Å; F49-F130 AromaticContact CD2-CD2 3.7Å; F49-F130 HydrophobicContact CD2-CD2 3.7Å; F49-F130 AromaticContact CD2-CE2 3.95Å; F49-F130 HydrophobicContact CD2-CE2 3.95Å; F49-F130 HydrophobicContact CD2-CG 4.05Å; F49-F130 HydrophobicContact CD2-CZ 4.47Å; F49-F130 HydrophobicContact CE2-CD1 4.11Å; F49-F130 AromaticContact CE2-CD2 3.86Å; F49-F130 HydrophobicContact CE2-CD2 3.86Å; F49-F130 AromaticContact CE2-CE1 3.98Å; F49-F130 HydrophobicContact CE2-CE1 3.98Å; F49-F130 AromaticContact CE2-CE2 3.75Å; F49-F130 HydrophobicContact CE2-CE2 3.75Å; F49-F130 HydrophobicContact CE2-CG 4.06Å; F49-F130 AromaticContact CE2-CZ 3.81Å; F49-F130 HydrophobicContact CE2-CZ 3.81Å
50	C	89.9	Confident	89.2	Confident	22 Å²	22	47 Å²	47	15%	0.149	24%	0.241	C	C	.	.	H	α-helix	trans	-67.6	-39.8	178	-59.2	0	0	0	0	110.8	C45 S46 D47 G48 G54 F55	C45-C50 VanDerWaalsContact SG-SG 3.63Å; S46-C50 PolarHBondContact O-N 2.85Å; S46-C50 PolarHBondContact O-SG 2.99Å; D47-C50 WeakPolarHBondContact O-CA 3.4Å; D47-C50 WeakPolarHBondContact O-CB 3.43Å; D47-C50 PolarHBondContact O-N 3.18Å; G48-C50 VanDerWaalsContact C-N 3.32Å; G48-C50 PolarHBondContact O-N 2.83Å; C50-G54 VanDerWaalsContact O-CA 3.27Å; C50-G54 WeakPolarHBondContact O-CA 3.43Å; C50-G54 PolarHBondContact O-N 3.28Å; C50-F55 WeakPolarHBondContact CA-O 3.38Å; C50-F55 VanDerWaalsContact CB-O 3.31Å; C50-F55 WeakPolarHBondContact CB-O 3.22Å
51	E	89	Confident	89.4	Confident	138 Å²	138	47.2 Å²	47.2	65%	0.645	24%	0.244	S	C	*	.	H	α-helix	trans	-65.2	-42.2	174.2	-68.6	177.2	177.9	0	0	112	D47 G48	D47-E51 PolarHBondContact O-N 2.76Å; G48-E51 PolarHBondContact O-N 2.8Å
52	L	87.8	Confident	89.3	Confident	15 Å²	15	47.1 Å²	47.1	8%	0.079	25%	0.248	C	C	.	.	H	α-helix	trans	-63.5	-50.2	178.2	-179.2	68.1	0	0	0	111.4	N28 G48 F49 R101 F107 F130 D132	N28-L52 HydrophobicContact CB-CD2 4.22Å; G48-L52 WeakPolarHBondContact O-CB 3.37Å; G48-L52 PolarHBondContact O-N 2.83Å; F49-L52 PolarHBondContact O-N 2.79Å; L52-R101 WeakPolarHBondContact O-CD 3.31Å; L52-R101 PolarHBondContact O-NE 3.32Å; L52-R101 PolarHBondContact O-NH1 3.24Å; L52-F107 HydrophobicContact CD1-CD2 4.49Å; L52-F107 HydrophobicContact CD1-CE2 4.3Å; L52-F107 HydrophobicContact CD2-CE2 3.96Å; L52-F107 HydrophobicContact CD2-CZ 4.41Å; L52-F107 HydrophobicContact CG-CE2 4.1Å; L52-F107 HydrophobicContact CG-CZ 4.38Å; L52-F130 HydrophobicContact CD2-CB 4.1Å; L52-D132 HydrophobicContact CD1-CB 4.09Å
53	T	89.8	Confident	89.3	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-89.1	-19.1	-171.8	62.6	0	0	0	0	113.4	F49 F55 L70 R101 K102 F107	F49-T53 HydrophobicContact CD1-CG2 4.43Å; F49-T53 HydrophobicContact CD2-CG2 4.14Å; F49-T53 HydrophobicContact CE1-CG2 3.99Å; F49-T53 HydrophobicContact CE2-CG2 3.68Å; F49-T53 HydrophobicContact CZ-CG2 3.61Å; F49-T53 WeakPolarHBondContact O-CG2 3.3Å; F49-T53 PolarHBondContact O-N 3.42Å; F49-T53 PolarHBondContact O-OG1 2.96Å; T53-F55 WeakPolarHBondContact O-CD2 3.49Å; T53-F55 PolarHBondContact O-N 3.3Å; T53-L70 HydrophobicContact CG2-CD1 4.13Å; T53-L70 HydrophobicContact CG2-CD2 3.94Å; T53-R101 WeakPolarHBondContact O-CA 3.36Å; T53-K102 PolarHBondContact O-N 2.78Å; T53-F107 HydrophobicContact CG2-CZ 4.43Å
54	G	88.5	Confident	89.2	Confident	42 Å²	42	49.1 Å²	49.1	43%	0.433	26%	0.255	S	S	.	.			trans	75.5	4.5	-174.3	0	0	0	0	0	114.1	C50 K102	C50-G54 VanDerWaalsContact O-CA 3.27Å; C50-G54 WeakPolarHBondContact O-CA 3.43Å; C50-G54 PolarHBondContact O-N 3.28Å; G54-K102 WeakPolarHBondContact O-CD 3.35Å
55	F	91.6	Very high	89.1	Confident	29 Å²	29	45.8 Å²	45.8	13%	0.127	24%	0.242	C	C	.	.			trans	-87.1	145.8	175.4	-72.7	-89	0	0	0	111.4	C50 T53 E59 V60 F69 L70 K102	C50-F55 WeakPolarHBondContact CA-O 3.38Å; C50-F55 VanDerWaalsContact CB-O 3.31Å; C50-F55 WeakPolarHBondContact CB-O 3.22Å; T53-F55 WeakPolarHBondContact O-CD2 3.49Å; T53-F55 PolarHBondContact O-N 3.3Å; F55-E59 HydrophobicContact CD1-CB 4.38Å; F55-E59 WeakPolarHBondContact CD1-OE2 3.38Å; F55-V60 HydrophobicContact CB-CG2 3.66Å; F55-F69 HydrophobicContact CD2-CD2 4.28Å; F55-F69 HydrophobicContact CD2-CE2 4.33Å; F55-F69 HydrophobicContact CE1-CD2 4.37Å; F55-F69 HydrophobicContact CE2-CD2 4.13Å; F55-F69 HydrophobicContact CG-CD2 4.47Å; F55-F69 HydrophobicContact CZ-CD2 4.16Å; F55-L70 HydrophobicContact CD2-CD2 4.02Å; F55-L70 HydrophobicContact CE2-CD2 3.7Å; F55-K102 HydrophobicContact CD1-CB 4.43Å; F55-K102 HydrophobicContact CD1-CD 4.08Å; F55-K102 HydrophobicContact CD1-CG 4.32Å; F55-K102 HydrophobicContact CD2-CB 3.99Å; F55-K102 HydrophobicContact CE1-CB 4.24Å; F55-K102 HydrophobicContact CE1-CD 4.28Å; F55-K102 HydrophobicContact CE1-CG 4.06Å; F55-K102 HydrophobicContact CE2-CB 3.78Å; F55-K102 HydrophobicContact CE2-CG 4.49Å; F55-K102 HydrophobicContact CG-CB 4.32Å; F55-K102 HydrophobicContact CG-CD 4.41Å; F55-K102 HydrophobicContact CZ-CB 3.93Å; F55-K102 HydrophobicContact CZ-CG 4.16Å
56	V	91.8	Very high	88.9	Confident	79 Å²	79	46.9 Å²	46.9	48%	0.479	25%	0.249	S	C	.	.			trans	-83.5	146.9	176.2	-170.6	0	0	0	0	109.3	T58 E59 V60	V56-T58 PolarHBondContact O-N 3.25Å; V56-E59 HydrophobicContact CB-CG 4.41Å; V56-E59 PolarHBondContact N-OE2 3.13Å; V56-E59 WeakPolarHBondContact O-CA 3.24Å; V56-E59 WeakPolarHBondContact O-CB 3.35Å; V56-E59 PolarHBondContact O-N 3.44Å; V56-V60 PolarHBondContact O-N 3Å
57	R	90.1	Very high	88.8	Confident	92 Å²	92	46.9 Å²	46.9	35%	0.347	25%	0.249	S	C	.	.	H	α-helix	trans	-46	-42.2	178.5	175.3	170.8	-65.5	134.9	1.7	113.7	C45 D47 E59 V60 M61	C45-R57 PolarHBondContact O-NE 3.27Å; C45-R57 PolarHBondContact O-NH2 3.47Å; C45-R57 VanDerWaalsContact SG-CA 3.6Å; C45-R57 VanDerWaalsContact SG-CB 3.55Å; C45-R57 WeakPolarHBondContact SG-CG 3.31Å; D47-R57 IonicContact OD1-CZ 3.88Å; D47-R57 IonicContact OD1-NH1 2.73Å; D47-R57 IonicContact OD1-NH2 3.62Å; D47-R57 PolarHBondContact OD1-NH2 2.87Å; R57-E59 VanDerWaalsContact C-N 3.26Å; R57-E59 PolarHBondContact O-N 3.1Å; R57-V60 PolarHBondContact O-N 2.95Å; R57-M61 HydrophobicContact CG-CG 3.92Å; R57-M61 WeakPolarHBondContact O-CB 3.22Å; R57-M61 WeakPolarHBondContact O-CG 3.26Å; R57-M61 PolarHBondContact O-N 3.4Å
58	T	90.1	Very high	88.7	Confident	117 Å²	117	46.7 Å²	46.7	72%	0.718	25%	0.251	S	S	*	.	H	α-helix	trans	-63.1	-27.8	178.5	50.3	0	0	0	0	114.1	V56	V56-T58 PolarHBondContact O-N 3.25Å
59	E	90.6	Very high	88.8	Confident	71 Å²	71	48.4 Å²	48.4	33%	0.332	26%	0.258	S	S	.	.	H	α-helix	trans	-84.7	-19.5	178.6	-59.3	175.3	150.3	0	0	112.4	F55 V56 R57 K63 K102	F55-E59 HydrophobicContact CD1-CB 4.38Å; F55-E59 WeakPolarHBondContact CD1-OE2 3.38Å; V56-E59 HydrophobicContact CB-CG 4.41Å; V56-E59 PolarHBondContact N-OE2 3.13Å; V56-E59 WeakPolarHBondContact O-CA 3.24Å; V56-E59 WeakPolarHBondContact O-CB 3.35Å; V56-E59 PolarHBondContact O-N 3.44Å; R57-E59 VanDerWaalsContact C-N 3.26Å; R57-E59 PolarHBondContact O-N 3.1Å; E59-K63 WeakPolarHBondContact O-CD 3.24Å; E59-K63 WeakPolarHBondContact O-CE 3.1Å; E59-K63 PolarHBondContact O-NZ 2.89Å; E59-K102 IonicContact OE1-NZ 3.91Å; E59-K102 PolarHBondContact OE1-NZ 2.95Å; E59-K102 IonicContact OE2-NZ 3.6Å; E59-K102 PolarHBondContact OE2-NZ 2.84Å
60	V	90.2	Very high	88.8	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-95.1	-39.2	-177.4	178.3	0	0	0	0	111	L30 I42 C45 F49 F55 V56 R57 K63 F69	L30-V60 HydrophobicContact CD2-CG1 3.94Å; I42-V60 HydrophobicContact CD1-CG1 4.12Å; I42-V60 HydrophobicContact CG2-CG1 4.28Å; C45-V60 HydrophobicContact CB-CG1 4.07Å; F49-V60 HydrophobicContact CD1-CG1 4.48Å; F49-V60 HydrophobicContact CE1-CG1 3.83Å; F49-V60 HydrophobicContact CE1-CG2 3.95Å; F55-V60 HydrophobicContact CB-CG2 3.66Å; V56-V60 PolarHBondContact O-N 3Å; R57-V60 PolarHBondContact O-N 2.95Å; V60-K63 WeakPolarHBondContact O-CB 3.14Å; V60-K63 PolarHBondContact O-N 3.46Å; V60-F69 HydrophobicContact CG1-CZ 4.07Å; V60-F69 HydrophobicContact CG2-CE2 4.31Å; V60-F69 HydrophobicContact CG2-CZ 4.43Å
61	M	89.3	Confident	88.8	Confident	60 Å²	60	50.3 Å²	50.3	30%	0.296	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	141.9	177.7	-71.8	-70.2	-57.6	0	0	111.4	V43 R57 K63	V43-M61 WeakPolarHBondContact O-CE 3.29Å; R57-M61 HydrophobicContact CG-CG 3.92Å; R57-M61 WeakPolarHBondContact O-CB 3.22Å; R57-M61 WeakPolarHBondContact O-CG 3.26Å; R57-M61 PolarHBondContact O-N 3.4Å; M61-K63 PolarHBondContact O-N 3.42Å
62	Q	86.6	Confident	88.7	Confident	109 Å²	109	45.2 Å²	45.2	51%	0.509	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	68	-3.8	-176.9	-59.7	-68.1	-43.1	0	0	116.8	R41 I42	R41-Q62 VanDerWaalsContact CD-OE1 3.3Å; I42-Q62 PolarHBondContact O-N 3.25Å
63	K	89.3	Confident	88.4	Confident	67 Å²	67	49.5 Å²	49.5	29%	0.291	29%	0.286	S	S	.	.	S	Bend	trans	-74.7	167.4	168.4	-66.8	-170	173.5	159.4	0	111.5	R41 I42 E59 V60 M61 F69	R41-K63 CarbonylContact C-O 3.52Å; R41-K63 WeakPolarHBondContact CA-O 3.46Å; I42-K63 HydrophobicContact CD1-CB 4.25Å; I42-K63 WeakPolarHBondContact CG1-O 3.42Å; I42-K63 PolarHBondContact N-O 2.94Å; E59-K63 WeakPolarHBondContact O-CD 3.24Å; E59-K63 WeakPolarHBondContact O-CE 3.1Å; E59-K63 PolarHBondContact O-NZ 2.89Å; V60-K63 WeakPolarHBondContact O-CB 3.14Å; V60-K63 PolarHBondContact O-N 3.46Å; M61-K63 PolarHBondContact O-N 3.42Å; K63-F69 HydrophobicContact CB-CD1 4.04Å; K63-F69 HydrophobicContact CB-CE1 3.99Å; K63-F69 HydrophobicContact CD-CB 3.97Å; K63-F69 HydrophobicContact CD-CD1 3.27Å; K63-F69 HydrophobicContact CD-CD2 4.43Å; K63-F69 HydrophobicContact CD-CE1 3.8Å; K63-F69 HydrophobicContact CD-CG 3.64Å; K63-F69 HydrophobicContact CG-CD1 4.3Å
64	T	88.8	Confident	87.9	Confident	34 Å²	34	54.9 Å²	54.9	21%	0.209	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-74.9	146.4	-178.9	60.6	0	0	0	0	111.4	D39 I42 T66 C67	D39-T64 HydrophobicContact CB-CG2 3.79Å; I42-T64 WeakPolarHBondContact CD1-O 3.48Å; T64-T66 WeakPolarHBondContact CB-OG1 3.45Å; T64-T66 PolarHBondContact O-N 3.43Å; T64-T66 PolarHBondContact OG1-OG1 3.38Å; T64-C67 PolarHBondContact O-N 3.05Å
65	C	86	Confident	87.8	Confident	1 Å²	1	53.4 Å²	53.4	1%	0.007	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-16	176.4	-73.5	0	0	0	0	113.8	G32 Y40 C67 L87 L128	G32-C65 WeakPolarHBondContact CA-SG 3.13Å; Y40-C65 WeakPolarHBondContact O-CB 3.47Å; Y40-C65 PolarHBondContact O-N 3.46Å; Y40-C65 PolarHBondContact O-SG 3.37Å; C65-C67 PolarHBondContact O-N 3.23Å; C65-C67 PolarHBondContact O-SG 2.98Å; C65-L87 HydrophobicContact CB-CD1 4.16Å; C65-L128 HydrophobicContact CB-CD1 4.27Å; C65-L128 HydrophobicContact CB-CD2 4.18Å; C65-L128 VanDerWaalsContact O-CD2 3.27Å; C65-L128 WeakPolarHBondContact O-CD2 3.42Å
66	T	84.9	Confident	87.5	Confident	23 Å²	23	55.1 Å²	55.1	14%	0.141	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-7.1	169.6	51.8	0	0	0	0	113.4	T64 T68 H71 M80 L87	T64-T66 WeakPolarHBondContact CB-OG1 3.45Å; T64-T66 PolarHBondContact O-N 3.43Å; T64-T66 PolarHBondContact OG1-OG1 3.38Å; T66-T68 VanDerWaalsContact C-N 3.33Å; T66-T68 PolarHBondContact O-N 3.41Å; T66-H71 PolarHBondContact O-NE2 3.35Å; T66-M80 WeakPolarHBondContact O-CE 3.24Å; T66-L87 HydrophobicContact CG2-CD1 3.97Å
67	C	86.9	Confident	87.1	Confident	2 Å²	2	58 Å²	58	1%	0.014	32%	0.322	C	S	.	.			trans	54.5	43.4	174.1	-59.2	0	0	0	0	113.7	T64 C65 F69 L70 H71	T64-C67 PolarHBondContact O-N 3.05Å; C65-C67 PolarHBondContact O-N 3.23Å; C65-C67 PolarHBondContact O-SG 2.98Å; C67-F69 HydrophobicContact CB-CE1 4.18Å; C67-F69 HydrophobicContact CB-CZ 4.48Å; C67-F69 PolarHBondContact O-N 3.09Å; C67-L70 HydrophobicContact CB-CB 4.46Å; C67-L70 HydrophobicContact CB-CD1 4.02Å; C67-L70 HydrophobicContact CB-CG 4.3Å; C67-L70 WeakPolarHBondContact O-CB 3.44Å; C67-L70 PolarHBondContact O-N 3.33Å; C67-H71 PolarHBondContact O-CD2 3.4Å; C67-H71 VanDerWaalsContact O-CD2 3.24Å; C67-H71 PolarHBondContact O-NE2 3.46Å
68	T	85.8	Confident	86.8	Confident	79 Å²	79	55.4 Å²	55.4	49%	0.485	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-55.6	-26.6	-179.1	52.3	0	0	0	0	114.2	T66 L70 H71	T66-T68 VanDerWaalsContact C-N 3.33Å; T66-T68 PolarHBondContact O-N 3.41Å; T68-L70 PolarHBondContact O-N 3.4Å; T68-H71 WeakPolarHBondContact O-CB 3.29Å; T68-H71 PolarHBondContact O-N 2.85Å
69	F	89.1	Confident	86.5	Confident	37 Å²	37	51.3 Å²	51.3	16%	0.162	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-73.1	-10.5	176.5	64.3	-85.4	0	0	0	114.5	I42 F49 F55 V60 K63 C67	I42-F69 HydrophobicContact CD1-CE1 4.13Å; I42-F69 HydrophobicContact CD1-CZ 4.49Å; F49-F69 HydrophobicContact CZ-CE2 4.44Å; F49-F69 HydrophobicContact CZ-CZ 4.26Å; F55-F69 HydrophobicContact CD2-CD2 4.28Å; F55-F69 HydrophobicContact CD2-CE2 4.33Å; F55-F69 HydrophobicContact CE1-CD2 4.37Å; F55-F69 HydrophobicContact CE2-CD2 4.13Å; F55-F69 HydrophobicContact CG-CD2 4.47Å; F55-F69 HydrophobicContact CZ-CD2 4.16Å; V60-F69 HydrophobicContact CG1-CZ 4.07Å; V60-F69 HydrophobicContact CG2-CE2 4.31Å; V60-F69 HydrophobicContact CG2-CZ 4.43Å; K63-F69 HydrophobicContact CB-CD1 4.04Å; K63-F69 HydrophobicContact CB-CE1 3.99Å; K63-F69 HydrophobicContact CD-CB 3.97Å; K63-F69 HydrophobicContact CD-CD1 3.27Å; K63-F69 HydrophobicContact CD-CD2 4.43Å; K63-F69 HydrophobicContact CD-CE1 3.8Å; K63-F69 HydrophobicContact CD-CG 3.64Å; K63-F69 HydrophobicContact CG-CD1 4.3Å; C67-F69 HydrophobicContact CB-CE1 4.18Å; C67-F69 HydrophobicContact CB-CZ 4.48Å; C67-F69 PolarHBondContact O-N 3.09Å
70	L	89.7	Confident	86.2	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-99.9	-2.3	173.4	-61.5	-179.3	0	0	0	112.4	F49 T53 F55 C67 T68 F99 Y100	F49-L70 HydrophobicContact CE2-CD1 4.32Å; F49-L70 HydrophobicContact CZ-CD1 4.07Å; T53-L70 HydrophobicContact CG2-CD1 4.13Å; T53-L70 HydrophobicContact CG2-CD2 3.94Å; F55-L70 HydrophobicContact CD2-CD2 4.02Å; F55-L70 HydrophobicContact CE2-CD2 3.7Å; C67-L70 HydrophobicContact CB-CB 4.46Å; C67-L70 HydrophobicContact CB-CD1 4.02Å; C67-L70 HydrophobicContact CB-CG 4.3Å; C67-L70 WeakPolarHBondContact O-CB 3.44Å; C67-L70 PolarHBondContact O-N 3.33Å; T68-L70 PolarHBondContact O-N 3.4Å; L70-F99 HydrophobicContact CB-CB 4.17Å; L70-F99 HydrophobicContact CB-CD1 3.64Å; L70-F99 HydrophobicContact CB-CE1 4.25Å; L70-F99 HydrophobicContact CB-CG 4.01Å; L70-F99 HydrophobicContact CD1-CD2 4.47Å; L70-F99 HydrophobicContact CD1-CG 4.34Å; L70-F99 WeakPolarHBondContact O-CA 3.43Å; L70-Y100 WeakPolarHBondContact CD2-O 3.46Å; L70-Y100 PolarHBondContact O-N 3.25Å
71	H	89.1	Confident	86	Confident	62 Å²	62	56 Å²	56	29%	0.287	32%	0.322	S	S	.	.			trans	-76.4	147.6	-178.8	-60.6	176.1	0	0	0	110.7	T66 C67 T68 T75 M80	T66-H71 PolarHBondContact O-NE2 3.35Å; C67-H71 PolarHBondContact O-CD2 3.4Å; C67-H71 VanDerWaalsContact O-CD2 3.24Å; C67-H71 PolarHBondContact O-NE2 3.46Å; T68-H71 WeakPolarHBondContact O-CB 3.29Å; T68-H71 PolarHBondContact O-N 2.85Å; H71-T75 HydrophobicContact CB-CG2 4.5Å; H71-M80 VanDerWaalsContact NE2-CE 3.26Å; H71-M80 WeakPolarHBondContact NE2-CE 3.45Å; H71-M80 PolarHBondContact NE2-SD 3.37Å; H71-M80 VanDerWaalsContact NE2-SD 3.45Å
72	G	86	Confident	85.9	Confident	31 Å²	31	58.4 Å²	58.4	32%	0.32	33%	0.332	S	S	.	.			trans	-149.4	-165.6	170.8	0	0	0	0	0	111.4	E74 T75 Y100	G72-E74 VanDerWaalsContact C-N 3.3Å; G72-E74 PolarHBondContact O-N 3.05Å; G72-T75 PolarHBondContact N-OG1 3.38Å; G72-T75 WeakPolarHBondContact O-CB 3.18Å; G72-T75 PolarHBondContact O-N 3.01Å; G72-T75 VanDerWaalsContact O-N 3.15Å; G72-T75 PolarHBondContact O-OG1 3.14Å; G72-Y100 VanDerWaalsContact CA-CD2 3.41Å
73	A	81.3	Confident	85.8	Confident	104 Å²	104	53.2 Å²	53.2	86%	0.86	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-29.6	-168.2	0	0	0	0	0	114.2
74	E	81	Confident	85.8	Confident	113 Å²	113	53.7 Å²	53.7	53%	0.528	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	4.2	179.2	-63	-168.3	174.5	0	0	113.7	G72 S76 Y100 Q106	G72-E74 VanDerWaalsContact C-N 3.3Å; G72-E74 PolarHBondContact O-N 3.05Å; E74-S76 PolarHBondContact O-N 3.24Å; E74-Y100 PolarHBondContact N-OH 3.3Å; E74-Q106 PolarHBondContact OE2-NE2 3.49Å; E74-Q106 PolarHBondContact OE2-OE1 3.37Å; E74-Q106 VanDerWaalsContact OE2-OE1 3.07Å
75	T	86	Confident	85.7	Confident	11 Å²	11	58.9 Å²	58.9	7%	0.067	33%	0.331	C	S	.	.	S	Bend	trans	-75.6	122.7	176.4	-54.2	0	0	0	0	109.5	H71 G72 D77 M80 I97 C98	H71-T75 HydrophobicContact CB-CG2 4.5Å; G72-T75 PolarHBondContact N-OG1 3.38Å; G72-T75 WeakPolarHBondContact O-CB 3.18Å; G72-T75 PolarHBondContact O-N 3.01Å; G72-T75 VanDerWaalsContact O-N 3.15Å; G72-T75 PolarHBondContact O-OG1 3.14Å; T75-D77 PolarHBondContact O-N 3.45Å; T75-M80 HydrophobicContact CG2-CG 3.95Å; T75-M80 HydrophobicContact CG2-SD 4.27Å; T75-I97 HydrophobicContact CG2-CG2 4Å; T75-C98 PolarHBondContact OG1-O 3.39Å
76	S	85.8	Confident	85.7	Confident	66 Å²	66	59.2 Å²	59.2	46%	0.462	33%	0.333	S	S	.	.			trans	-73.2	116.7	-178.5	-177.3	0	0	0	0	112.3	E74 G78 V79 M80	E74-S76 PolarHBondContact O-N 3.24Å; S76-G78 VanDerWaalsContact C-N 3.27Å; S76-G78 PolarHBondContact O-N 3.1Å; S76-V79 PolarHBondContact O-N 3.33Å; S76-M80 PolarHBondContact O-N 3.48Å
77	D	82.4	Confident	85.8	Confident	138 Å²	138	58.1 Å²	58.1	74%	0.738	33%	0.327	S	S	*	.	H	α-helix	trans	-58.8	-36.9	177.5	-69.3	-32.3	0	0	0	112.8	T75 V79 M80 E81	T75-D77 PolarHBondContact O-N 3.45Å; D77-V79 VanDerWaalsContact C-N 3.32Å; D77-V79 PolarHBondContact O-N 3.05Å; D77-M80 PolarHBondContact O-N 2.97Å; D77-E81 PolarHBondContact O-N 2.85Å
78	G	84.1	Confident	85.8	Confident	38 Å²	38	63.3 Å²	63.3	39%	0.392	35%	0.351	S	S	.	.	H	α-helix	trans	-66.2	-32.1	179.1	0	0	0	0	0	113.5	S76 Q82	S76-G78 VanDerWaalsContact C-N 3.27Å; S76-G78 PolarHBondContact O-N 3.1Å; G78-Q82 WeakPolarHBondContact O-CG 3.49Å; G78-Q82 PolarHBondContact O-N 3.38Å
79	V	83.1	Confident	85.8	Confident	32 Å²	32	62.1 Å²	62.1	19%	0.194	35%	0.345	C	S	.	.	H	α-helix	trans	-75.6	-36.7	175.7	-175.3	0	0	0	0	110.3	S76 D77 E81 Q82 V83 Y93 I97	S76-V79 PolarHBondContact O-N 3.33Å; D77-V79 VanDerWaalsContact C-N 3.32Å; D77-V79 PolarHBondContact O-N 3.05Å; V79-E81 PolarHBondContact O-N 3.12Å; V79-Q82 WeakPolarHBondContact O-CB 3.29Å; V79-Q82 PolarHBondContact O-N 3.42Å; V79-V83 WeakPolarHBondContact O-CG2 3.4Å; V79-V83 PolarHBondContact O-N 2.88Å; V79-Y93 WeakPolarHBondContact CG1-OH 3.43Å; V79-I97 HydrophobicContact CG1-CD1 4.1Å; V79-I97 HydrophobicContact CG1-CG1 3.65Å
80	M	85.1	Confident	85.7	Confident	20 Å²	20	64.5 Å²	64.5	10%	0.099	36%	0.357	C	S	.	.	H	α-helix	trans	-66.5	-34.9	175.3	-69.9	-52.1	-43.3	0	0	113.1	T66 H71 T75 S76 D77 Q82 V83 H84 I97 F99	T66-M80 WeakPolarHBondContact O-CE 3.24Å; H71-M80 VanDerWaalsContact NE2-CE 3.26Å; H71-M80 WeakPolarHBondContact NE2-CE 3.45Å; H71-M80 PolarHBondContact NE2-SD 3.37Å; H71-M80 VanDerWaalsContact NE2-SD 3.45Å; T75-M80 HydrophobicContact CG2-CG 3.95Å; T75-M80 HydrophobicContact CG2-SD 4.27Å; S76-M80 PolarHBondContact O-N 3.48Å; D77-M80 PolarHBondContact O-N 2.97Å; M80-Q82 VanDerWaalsContact C-N 3.31Å; M80-V83 HydrophobicContact CE-CB 4.25Å; M80-V83 HydrophobicContact CE-CG1 4.21Å; M80-V83 PolarHBondContact O-N 3.07Å; M80-H84 PolarHBondContact O-N 3Å; M80-I97 HydrophobicContact SD-CD1 4.22Å; M80-I97 HydrophobicContact SD-CG2 4.31Å; M80-F99 HydrophobicContact SD-CE1 4.49Å
81	E	86.3	Confident	85.5	Confident	149 Å²	149	70.5 Å²	70.5	70%	0.696	39%	0.385	S	S	*	.	H	α-helix	trans	-65	-36.3	173.2	-166.6	174.2	-172.8	0	0	111.7	D77 V79 H84 K85	D77-E81 PolarHBondContact O-N 2.85Å; V79-E81 PolarHBondContact O-N 3.12Å; E81-H84 PolarHBondContact O-N 3.43Å; E81-K85 WeakPolarHBondContact O-CB 3.4Å; E81-K85 PolarHBondContact O-N 3.38Å
82	Q	85.9	Confident	85.4	Confident	111 Å²	111	72.4 Å²	72.4	52%	0.519	39%	0.394	S	S	.	.	H	α-helix	trans	-66.3	-41.7	173.1	-67.1	174.1	16.9	0	0	112.3	G78 V79 M80 H84 K85 A86 Y93	G78-Q82 WeakPolarHBondContact O-CG 3.49Å; G78-Q82 PolarHBondContact O-N 3.38Å; V79-Q82 WeakPolarHBondContact O-CB 3.29Å; V79-Q82 PolarHBondContact O-N 3.42Å; M80-Q82 VanDerWaalsContact C-N 3.31Å; Q82-H84 VanDerWaalsContact C-N 3.33Å; Q82-H84 PolarHBondContact O-N 3.39Å; Q82-K85 PolarHBondContact O-N 3.1Å; Q82-A86 WeakPolarHBondContact O-CB 3.42Å; Q82-A86 PolarHBondContact O-N 3.16Å; Q82-Y93 HydrophobicContact CB-CE2 3.88Å
83	V	85.8	Confident	85.6	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-59.8	-45.2	173.9	168	0	0	0	0	110.8	V79 M80 A86 L87 Y93 I97 L111 I113	V79-V83 WeakPolarHBondContact O-CG2 3.4Å; V79-V83 PolarHBondContact O-N 2.88Å; M80-V83 HydrophobicContact CE-CB 4.25Å; M80-V83 HydrophobicContact CE-CG1 4.21Å; M80-V83 PolarHBondContact O-N 3.07Å; V83-A86 PolarHBondContact O-N 2.8Å; V83-L87 HydrophobicContact CG1-CD1 4.34Å; V83-L87 WeakPolarHBondContact O-CG 3.32Å; V83-L87 PolarHBondContact O-N 2.93Å; V83-L87 VanDerWaalsContact O-N 3.07Å; V83-Y93 HydrophobicContact CG2-CD1 3.89Å; V83-Y93 HydrophobicContact CG2-CE1 3.39Å; V83-I97 HydrophobicContact CG2-CD1 3.83Å; V83-L111 HydrophobicContact CG1-CD2 4.46Å; V83-L111 HydrophobicContact CG2-CD2 4.11Å; V83-I113 HydrophobicContact CG1-CD1 3.74Å
84	H	87.8	Confident	85.9	Confident	77 Å²	77	73.6 Å²	73.6	36%	0.356	37%	0.373	S	S	.	.	H	α-helix	trans	-60.3	-47.7	177	-171.5	-95.1	0	0	0	111.4	M80 E81 Q82 A86 L87 E88	M80-H84 PolarHBondContact O-N 3Å; E81-H84 PolarHBondContact O-N 3.43Å; Q82-H84 VanDerWaalsContact C-N 3.33Å; Q82-H84 PolarHBondContact O-N 3.39Å; H84-A86 VanDerWaalsContact C-N 3.29Å; H84-A86 PolarHBondContact O-N 3.15Å; H84-L87 PolarHBondContact O-N 2.83Å; H84-E88 IonicContact CE1-OE1 3.57Å; H84-E88 PolarHBondContact CE1-OE1 2.85Å; H84-E88 IonicContact CE1-OE2 3.15Å; H84-E88 IonicContact ND1-OE1 2.8Å; H84-E88 IonicContact ND1-OE2 3.77Å; H84-E88 PolarHBondContact O-N 3.37Å
85	K	87.6	Confident	86.1	Confident	143 Å²	143	68.8 Å²	68.8	62%	0.622	35%	0.354	S	S	*	.	H	α-helix	trans	-62.1	-34.9	177	-171.3	177.1	-178.5	178.1	0	112.5	E81 Q82 E88 S89	E81-K85 WeakPolarHBondContact O-CB 3.4Å; E81-K85 PolarHBondContact O-N 3.38Å; Q82-K85 PolarHBondContact O-N 3.1Å; K85-E88 PolarHBondContact O-N 2.75Å; K85-S89 VanDerWaalsContact O-CB 3.25Å; K85-S89 WeakPolarHBondContact O-CB 3.33Å; K85-S89 PolarHBondContact O-N 2.84Å; K85-S89 PolarHBondContact O-OG 2.93Å
86	A	86.6	Confident	86.2	Confident	7 Å²	7	72.3 Å²	72.3	6%	0.058	37%	0.37	C	S	.	.	H	α-helix	trans	-66.7	-41.7	176	0	0	0	0	0	112.1	Q82 V83 H84 S89 Q90 Q91 Y93	Q82-A86 WeakPolarHBondContact O-CB 3.42Å; Q82-A86 PolarHBondContact O-N 3.16Å; V83-A86 PolarHBondContact O-N 2.8Å; H84-A86 VanDerWaalsContact C-N 3.29Å; H84-A86 PolarHBondContact O-N 3.15Å; A86-S89 PolarHBondContact O-OG 2.73Å; A86-Q90 WeakPolarHBondContact O-CA 3.38Å; A86-Q90 PolarHBondContact O-N 3.49Å; A86-Q91 PolarHBondContact O-N 2.78Å; A86-Y93 HydrophobicContact CB-CD2 4.27Å; A86-Y93 HydrophobicContact CB-CG 4.09Å
87	L	87.3	Confident	86.4	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-64.2	-42.5	174.3	-67.4	170.6	0	0	0	111.7	Y40 C65 T66 V83 H84 Q90 I113 F126	Y40-L87 HydrophobicContact CD2-CB 4.17Å; Y40-L87 HydrophobicContact CE2-CB 4.15Å; C65-L87 HydrophobicContact CB-CD1 4.16Å; T66-L87 HydrophobicContact CG2-CD1 3.97Å; V83-L87 HydrophobicContact CG1-CD1 4.34Å; V83-L87 WeakPolarHBondContact O-CG 3.32Å; V83-L87 PolarHBondContact O-N 2.93Å; V83-L87 VanDerWaalsContact O-N 3.07Å; H84-L87 PolarHBondContact O-N 2.83Å; L87-Q90 PolarHBondContact O-N 3.07Å; L87-I113 HydrophobicContact CD2-CD1 4.48Å; L87-I113 HydrophobicContact CD2-CG2 3.94Å; L87-F126 HydrophobicContact CD2-CB 4.41Å; L87-F126 HydrophobicContact CD2-CD1 3.98Å; L87-F126 HydrophobicContact CD2-CD2 3.92Å; L87-F126 HydrophobicContact CD2-CE1 4.16Å; L87-F126 HydrophobicContact CD2-CE2 4.1Å; L87-F126 HydrophobicContact CD2-CG 3.85Å; L87-F126 HydrophobicContact CD2-CZ 4.22Å; L87-F126 VanDerWaalsContact O-CZ 3.3Å; L87-F126 WeakPolarHBondContact O-CZ 3.45Å
88	E	85.9	Confident	86.8	Confident	111 Å²	111	62.9 Å²	62.9	52%	0.519	31%	0.314	S	S	.	.	H	α-helix	trans	-66.9	-43.8	176.8	-71.6	-174.7	149.3	0	0	113.3	Y40 H84 K85 Q90	Y40-E88 HydrophobicContact CE2-CG 4.3Å; Y40-E88 WeakPolarHBondContact OH-CA 3.36Å; H84-E88 IonicContact CE1-OE1 3.57Å; H84-E88 PolarHBondContact CE1-OE1 2.85Å; H84-E88 IonicContact CE1-OE2 3.15Å; H84-E88 IonicContact ND1-OE1 2.8Å; H84-E88 IonicContact ND1-OE2 3.77Å; H84-E88 PolarHBondContact O-N 3.37Å; K85-E88 PolarHBondContact O-N 2.75Å; E88-Q90 PolarHBondContact O-N 3.01Å
89	S	85.8	Confident	87.1	Confident	54 Å²	54	61.1 Å²	61.1	38%	0.378	30%	0.296	S	S	.	.	H	α-helix	trans	-78.1	-5.1	178.9	62	0	0	0	0	113.5	K85 A86 Q91	K85-S89 VanDerWaalsContact O-CB 3.25Å; K85-S89 WeakPolarHBondContact O-CB 3.33Å; K85-S89 PolarHBondContact O-N 2.84Å; K85-S89 PolarHBondContact O-OG 2.93Å; A86-S89 PolarHBondContact O-OG 2.73Å; S89-Q91 PolarHBondContact O-N 3.19Å
90	Q	86.9	Confident	87.5	Confident	87 Å²	87	61.8 Å²	61.8	41%	0.407	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	39.3	-176.7	-53.8	-176.7	-14.4	0	0	112.7	A86 L87 E88 V123 F126	A86-Q90 WeakPolarHBondContact O-CA 3.38Å; A86-Q90 PolarHBondContact O-N 3.49Å; L87-Q90 PolarHBondContact O-N 3.07Å; E88-Q90 PolarHBondContact O-N 3.01Å; Q90-V123 HydrophobicContact CB-CG2 4.27Å; Q90-F126 HydrophobicContact CG-CZ 4.19Å
91	Q	85.8	Confident	87.8	Confident	127 Å²	127	64 Å²	64	59%	0.593	30%	0.302	S	S	*	.			trans	-103.8	159	179.7	-65.8	-169.7	-8.7	0	0	111	A86 S89	A86-Q91 PolarHBondContact O-N 2.78Å; S89-Q91 PolarHBondContact O-N 3.19Å
92	E	87	Confident	88	Confident	101 Å²	101	61.7 Å²	61.7	47%	0.472	29%	0.29	S	S	.	.			trans	-69.2	142.7	170.6	-65.6	172.5	175.3	0	0	110	I113 K214	E92-I113 VanDerWaalsContact CA-O 3.27Å; E92-I113 WeakPolarHBondContact CA-O 3.36Å; E92-K214 IonicContact OE1-NZ 2.95Å; E92-K214 PolarHBondContact OE1-NZ 3.45Å; E92-K214 IonicContact OE2-NZ 2.86Å; E92-K214 PolarHBondContact OE2-NZ 2.86Å
93	Y	89.6	Confident	88	Confident	28 Å²	28	61.6 Å²	61.6	11%	0.11	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	135.2	177.4	173.3	-90.3	0	0	0	110.4	V79 Q82 V83 A86 D112 I113	V79-Y93 WeakPolarHBondContact CG1-OH 3.43Å; Q82-Y93 HydrophobicContact CB-CE2 3.88Å; V83-Y93 HydrophobicContact CG2-CD1 3.89Å; V83-Y93 HydrophobicContact CG2-CE1 3.39Å; A86-Y93 HydrophobicContact CB-CD2 4.27Å; A86-Y93 HydrophobicContact CB-CG 4.09Å; Y93-D112 CarbonylContact O-C 3.37Å; Y93-D112 WeakPolarHBondContact O-CA 3.33Å; Y93-I113 HydrophobicContact CD1-CD1 4.12Å; Y93-I113 HydrophobicContact CD1-CG1 4.33Å; Y93-I113 PolarHBondContact N-O 3.18Å; Y93-I113 PolarHBondContact O-N 3.06Å
94	Q	88.3	Confident	87.8	Confident	132 Å²	132	63.8 Å²	63.8	62%	0.617	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.9	125.3	174.5	-172.1	178.9	2.7	0	0	108.8	L110 L111	Q94-L110 HydrophobicContact CG-CD1 4.02Å; Q94-L111 WeakPolarHBondContact CA-O 3.29Å
95	G	85.6	Confident	87.8	Confident	13 Å²	13	64.7 Å²	64.7	13%	0.134	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	156.9	-178.5	0	0	0	0	0	113.1	L111	G95-L111 PolarHBondContact N-O 2.76Å; G95-L111 PolarHBondContact O-N 2.73Å
96	E	88.1	Confident	87.9	Confident	85 Å²	85	62.3 Å²	62.3	40%	0.397	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	128	178.6	-65.4	177	157.9	0	0	109.9	C109 L110 Y137	E96-C109 WeakPolarHBondContact CA-O 3.36Å; E96-L110 HydrophobicContact CG-CB 4.5Å; E96-L110 HydrophobicContact CG-CD1 3.69Å; E96-Y137 WeakPolarHBondContact OE2-CE2 3.49Å; E96-Y137 PolarHBondContact OE2-OH 3.26Å
97	I	89.5	Confident	88	Confident	4 Å²	4	62.1 Å²	62.1	2%	0.021	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	135.4	-174.9	-56.5	171	0	0	0	109	T75 V79 M80 V83 F99 C109 L111	T75-I97 HydrophobicContact CG2-CG2 4Å; V79-I97 HydrophobicContact CG1-CD1 4.1Å; V79-I97 HydrophobicContact CG1-CG1 3.65Å; M80-I97 HydrophobicContact SD-CD1 4.22Å; M80-I97 HydrophobicContact SD-CG2 4.31Å; V83-I97 HydrophobicContact CG2-CD1 3.83Å; I97-F99 HydrophobicContact CB-CE1 4.37Å; I97-F99 HydrophobicContact CB-CE2 4.09Å; I97-F99 HydrophobicContact CB-CZ 3.99Å; I97-F99 HydrophobicContact CD1-CZ 4.01Å; I97-F99 HydrophobicContact CG2-CD1 3.92Å; I97-F99 HydrophobicContact CG2-CD2 4.48Å; I97-F99 HydrophobicContact CG2-CE1 3.54Å; I97-F99 HydrophobicContact CG2-CE2 4.14Å; I97-F99 HydrophobicContact CG2-CG 4.37Å; I97-F99 HydrophobicContact CG2-CZ 3.66Å; I97-C109 PolarHBondContact N-O 2.99Å; I97-C109 PolarHBondContact O-N 2.79Å; I97-L111 HydrophobicContact CD1-CB 4.1Å; I97-L111 HydrophobicContact CD1-CD2 3.65Å
98	C	89.7	Confident	88.1	Confident	2 Å²	2	65.7 Å²	65.7	1%	0.014	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	115.1	170.1	-172.8	0	0	0	0	109.7	T75 W108	T75-C98 PolarHBondContact OG1-O 3.39Å; C98-W108 HydrophobicContact CB-CD2 4.2Å; C98-W108 HydrophobicContact CB-CE3 4.18Å; C98-W108 HydrophobicContact CB-CH2 4.04Å; C98-W108 HydrophobicContact CB-CZ2 4.05Å; C98-W108 HydrophobicContact CB-CZ3 4.11Å
99	F	92.3	Very high	88.2	Confident	1 Å²	1	60.4 Å²	60.4	0%	0.004	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	159.7	178.4	-74.6	-45.9	0	0	0	111.6	L70 M80 I97 Q106 F107 C109 L111 F130	L70-F99 HydrophobicContact CB-CB 4.17Å; L70-F99 HydrophobicContact CB-CD1 3.64Å; L70-F99 HydrophobicContact CB-CE1 4.25Å; L70-F99 HydrophobicContact CB-CG 4.01Å; L70-F99 HydrophobicContact CD1-CD2 4.47Å; L70-F99 HydrophobicContact CD1-CG 4.34Å; L70-F99 WeakPolarHBondContact O-CA 3.43Å; M80-F99 HydrophobicContact SD-CE1 4.49Å; I97-F99 HydrophobicContact CB-CE1 4.37Å; I97-F99 HydrophobicContact CB-CE2 4.09Å; I97-F99 HydrophobicContact CB-CZ 3.99Å; I97-F99 HydrophobicContact CD1-CZ 4.01Å; I97-F99 HydrophobicContact CG2-CD1 3.92Å; I97-F99 HydrophobicContact CG2-CD2 4.48Å; I97-F99 HydrophobicContact CG2-CE1 3.54Å; I97-F99 HydrophobicContact CG2-CE2 4.14Å; I97-F99 HydrophobicContact CG2-CG 4.37Å; I97-F99 HydrophobicContact CG2-CZ 3.66Å; F99-Q106 WeakPolarHBondContact O-CA 3.36Å; F99-F107 HydrophobicContact CB-CD1 4.21Å; F99-F107 HydrophobicContact CB-CE1 3.57Å; F99-F107 HydrophobicContact CB-CE2 4.34Å; F99-F107 HydrophobicContact CB-CZ 3.65Å; F99-F107 HydrophobicContact CD2-CZ 4.42Å; F99-F107 PolarHBondContact N-O 2.78Å; F99-F107 VanDerWaalsContact O-CD1 3.23Å; F99-F107 WeakPolarHBondContact O-CD1 3.32Å; F99-F107 PolarHBondContact O-N 3.07Å; F99-C109 HydrophobicContact CD2-CB 3.63Å; F99-C109 HydrophobicContact CE2-CB 4.15Å; F99-L111 HydrophobicContact CZ-CD2 4.48Å; F99-F130 HydrophobicContact CE2-CD1 4.19Å; F99-F130 AromaticContact CE2-CE1 3.97Å; F99-F130 HydrophobicContact CE2-CE1 3.97Å
100	Y	90.4	Very high	88.3	Confident	46 Å²	46	59.6 Å²	59.6	18%	0.18	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	131.4	179.3	-72.9	-106	0	0	0	110.5	L70 G72 E74 Q106	L70-Y100 WeakPolarHBondContact CD2-O 3.46Å; L70-Y100 PolarHBondContact O-N 3.25Å; G72-Y100 VanDerWaalsContact CA-CD2 3.41Å; E74-Y100 PolarHBondContact N-OH 3.3Å; Y100-Q106 HydrophobicContact CE1-CB 4.23Å
101	R	91.3	Very high	88.4	Confident	67 Å²	67	55.7 Å²	55.7	25%	0.253	27%	0.274	S	S	.	.			trans	-76.8	165	172.5	-62.5	-177.4	-172.5	-130	6	110.2	L52 T53 N103 G104 N105 F107 D132	L52-R101 WeakPolarHBondContact O-CD 3.31Å; L52-R101 PolarHBondContact O-NE 3.32Å; L52-R101 PolarHBondContact O-NH1 3.24Å; T53-R101 WeakPolarHBondContact O-CA 3.36Å; R101-N103 WeakPolarHBondContact CB-OD1 3.12Å; R101-N103 PolarHBondContact O-N 3.25Å; R101-N103 VanDerWaalsContact O-N 3.12Å; R101-G104 PolarHBondContact O-N 2.98Å; R101-N105 PolarHBondContact N-O 3.39Å; R101-F107 HydrophobicContact CG-CD1 3.5Å; R101-F107 HydrophobicContact CG-CE1 3.62Å; R101-F107 HydrophobicContact CG-CG 4.47Å; R101-D132 IonicContact NH2-OD2 3.24Å; R101-D132 PolarHBondContact NH2-OD2 3.19Å
102	K	89.9	Confident	88.5	Confident	99 Å²	99	52.2 Å²	52.2	43%	0.43	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-29.5	178.5	-170.9	174.1	-174.5	169.3	0	113.8	T53 G54 F55 E59 G104	T53-K102 PolarHBondContact O-N 2.78Å; G54-K102 WeakPolarHBondContact O-CD 3.35Å; F55-K102 HydrophobicContact CD1-CB 4.43Å; F55-K102 HydrophobicContact CD1-CD 4.08Å; F55-K102 HydrophobicContact CD1-CG 4.32Å; F55-K102 HydrophobicContact CD2-CB 3.99Å; F55-K102 HydrophobicContact CE1-CB 4.24Å; F55-K102 HydrophobicContact CE1-CD 4.28Å; F55-K102 HydrophobicContact CE1-CG 4.06Å; F55-K102 HydrophobicContact CE2-CB 3.78Å; F55-K102 HydrophobicContact CE2-CG 4.49Å; F55-K102 HydrophobicContact CG-CB 4.32Å; F55-K102 HydrophobicContact CG-CD 4.41Å; F55-K102 HydrophobicContact CZ-CB 3.93Å; F55-K102 HydrophobicContact CZ-CG 4.16Å; E59-K102 IonicContact OE1-NZ 3.91Å; E59-K102 PolarHBondContact OE1-NZ 2.95Å; E59-K102 IonicContact OE2-NZ 3.6Å; E59-K102 PolarHBondContact OE2-NZ 2.84Å; K102-G104 VanDerWaalsContact C-N 3.26Å; K102-G104 PolarHBondContact O-N 3.31Å
103	N	87.4	Confident	88.6	Confident	110 Å²	110	47.4 Å²	47.4	59%	0.588	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-0.7	176.6	66.2	-6.9	0	0	0	113.9	R101 N105	R101-N103 WeakPolarHBondContact CB-OD1 3.12Å; R101-N103 PolarHBondContact O-N 3.25Å; R101-N103 VanDerWaalsContact O-N 3.12Å; N103-N105 PolarHBondContact ND2-ND2 2.92Å; N103-N105 WeakPolarHBondContact OD1-CB 3.32Å; N103-N105 PolarHBondContact OD1-N 2.88Å; N103-N105 VanDerWaalsContact OD1-N 3.11Å
104	G	81.3	Confident	88.5	Confident	46 Å²	46	46.8 Å²	46.8	47%	0.474	24%	0.236	S	C	.	.	S	Bend	trans	89.5	-2.7	-179	0	0	0	0	0	115	R101 K102	R101-G104 PolarHBondContact O-N 2.98Å; K102-G104 VanDerWaalsContact C-N 3.26Å; K102-G104 PolarHBondContact O-N 3.31Å
105	N	87.4	Confident	88.5	Confident	95 Å²	95	41.5 Å²	41.5	51%	0.508	21%	0.213	S	C	.	.			trans	-73.3	134.2	178.3	-67.4	-2.4	0	0	0	111	R101 N103	R101-N105 PolarHBondContact N-O 3.39Å; N103-N105 PolarHBondContact ND2-ND2 2.92Å; N103-N105 WeakPolarHBondContact OD1-CB 3.32Å; N103-N105 PolarHBondContact OD1-N 2.88Å; N103-N105 VanDerWaalsContact OD1-N 3.11Å
106	Q	89.3	Confident	88.5	Confident	93 Å²	93	40.9 Å²	40.9	44%	0.435	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	145.6	173.3	71.3	-172.5	23.3	0	0	112	E74 F99 Y100	E74-Q106 PolarHBondContact OE2-NE2 3.49Å; E74-Q106 PolarHBondContact OE2-OE1 3.37Å; E74-Q106 VanDerWaalsContact OE2-OE1 3.07Å; F99-Q106 WeakPolarHBondContact O-CA 3.36Å; Y100-Q106 HydrophobicContact CE1-CB 4.23Å
107	F	89.6	Confident	88.3	Confident	3 Å²	3	42 Å²	42	1%	0.013	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	141.8	172.6	71.5	-75	0	0	0	110	L52 T53 F99 R101 C109 S134	L52-F107 HydrophobicContact CD1-CD2 4.49Å; L52-F107 HydrophobicContact CD1-CE2 4.3Å; L52-F107 HydrophobicContact CD2-CE2 3.96Å; L52-F107 HydrophobicContact CD2-CZ 4.41Å; L52-F107 HydrophobicContact CG-CE2 4.1Å; L52-F107 HydrophobicContact CG-CZ 4.38Å; T53-F107 HydrophobicContact CG2-CZ 4.43Å; F99-F107 HydrophobicContact CB-CD1 4.21Å; F99-F107 HydrophobicContact CB-CE1 3.57Å; F99-F107 HydrophobicContact CB-CE2 4.34Å; F99-F107 HydrophobicContact CB-CZ 3.65Å; F99-F107 HydrophobicContact CD2-CZ 4.42Å; F99-F107 PolarHBondContact N-O 2.78Å; F99-F107 VanDerWaalsContact O-CD1 3.23Å; F99-F107 WeakPolarHBondContact O-CD1 3.32Å; F99-F107 PolarHBondContact O-N 3.07Å; R101-F107 HydrophobicContact CG-CD1 3.5Å; R101-F107 HydrophobicContact CG-CE1 3.62Å; R101-F107 HydrophobicContact CG-CG 4.47Å; F107-C109 HydrophobicContact CD2-CB 4.14Å; F107-C109 HydrophobicContact CE2-CB 3.74Å; F107-S134 WeakPolarHBondContact CA-OG 3.29Å; F107-S134 WeakPolarHBondContact CB-OG 3.37Å
108	W	88.4	Confident	88	Confident	75 Å²	75	43.8 Å²	43.8	28%	0.284	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	125.1	174.8	-77.6	93.6	0	0	0	109.4	C98 V133 S134 Y137	C98-W108 HydrophobicContact CB-CD2 4.2Å; C98-W108 HydrophobicContact CB-CE3 4.18Å; C98-W108 HydrophobicContact CB-CH2 4.04Å; C98-W108 HydrophobicContact CB-CZ2 4.05Å; C98-W108 HydrophobicContact CB-CZ3 4.11Å; W108-V133 HydrophobicContact CB-CG2 3.87Å; W108-V133 WeakPolarHBondContact O-CG2 3.5Å; W108-V133 PolarHBondContact O-N 3.35Å; W108-S134 PolarHBondContact N-OG 2.82Å; W108-Y137 HydrophobicContact CB-CD2 4.28Å; W108-Y137 HydrophobicContact CD2-CD1 4.41Å; W108-Y137 HydrophobicContact CD2-CD2 4.47Å; W108-Y137 HydrophobicContact CD2-CE1 4.35Å; W108-Y137 HydrophobicContact CD2-CE2 4.42Å; W108-Y137 HydrophobicContact CD2-CG 4.46Å; W108-Y137 HydrophobicContact CE3-CE2 4.36Å; W108-Y137 HydrophobicContact CG-CD2 4.22Å; W108-Y137 HydrophobicContact CG-CG 4.18Å; W108-Y137 HydrophobicContact CZ2-CE1 4.45Å
109	C	87.9	Confident	87.2	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	126	-177.5	-172.8	0	0	0	0	110.5	E96 I97 F99 F107 L111 K131	E96-C109 WeakPolarHBondContact CA-O 3.36Å; I97-C109 PolarHBondContact N-O 2.99Å; I97-C109 PolarHBondContact O-N 2.79Å; F99-C109 HydrophobicContact CD2-CB 3.63Å; F99-C109 HydrophobicContact CE2-CB 4.15Å; F107-C109 HydrophobicContact CD2-CB 4.14Å; F107-C109 HydrophobicContact CE2-CB 3.74Å; C109-L111 PolarHBondContact O-N 2.76Å; C109-K131 CarbonylContact C-O 3.49Å; C109-K131 WeakPolarHBondContact CA-O 3.23Å
110	L	88.1	Confident	86.5	Confident	38 Å²	38	56.7 Å²	56.7	20%	0.199	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	111.5	162.5	-178.7	70.1	0	0	0	108	Q94 E96 K131 V133	Q94-L110 HydrophobicContact CG-CD1 4.02Å; E96-L110 HydrophobicContact CG-CB 4.5Å; E96-L110 HydrophobicContact CG-CD1 3.69Å; L110-K131 HydrophobicContact CB-CB 4.32Å; L110-K131 PolarHBondContact N-O 3.18Å; L110-K131 PolarHBondContact O-N 2.88Å; L110-V133 HydrophobicContact CB-CG1 4.15Å
111	L	88.8	Confident	85.8	Confident	4 Å²	4	56.7 Å²	56.7	2%	0.021	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	124.6	176.9	178.7	63	0	0	0	109.5	V83 Q94 G95 I97 F99 C109 I113 L128 F130	V83-L111 HydrophobicContact CG1-CD2 4.46Å; V83-L111 HydrophobicContact CG2-CD2 4.11Å; Q94-L111 WeakPolarHBondContact CA-O 3.29Å; G95-L111 PolarHBondContact N-O 2.76Å; G95-L111 PolarHBondContact O-N 2.73Å; I97-L111 HydrophobicContact CD1-CB 4.1Å; I97-L111 HydrophobicContact CD1-CD2 3.65Å; F99-L111 HydrophobicContact CZ-CD2 4.48Å; C109-L111 PolarHBondContact O-N 2.76Å; L111-I113 HydrophobicContact CD1-CG1 4.31Å; L111-I113 HydrophobicContact CD2-CD1 4Å; L111-I113 HydrophobicContact CD2-CG1 4.2Å; L111-I113 HydrophobicContact CG-CD1 4.34Å; L111-I113 HydrophobicContact CG-CG1 3.98Å; L111-L128 HydrophobicContact CD1-CB 4.26Å; L111-L128 HydrophobicContact CD1-CD2 4.41Å; L111-F130 HydrophobicContact CD1-CD1 4.01Å; L111-F130 HydrophobicContact CD1-CE1 3.64Å; L111-F130 HydrophobicContact CD1-CE2 4.21Å; L111-F130 HydrophobicContact CD1-CG 4.45Å; L111-F130 HydrophobicContact CD1-CZ 3.74Å
112	D	87.8	Confident	85.5	Confident	54 Å²	54	57.8 Å²	57.8	29%	0.289	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	120.6	174	-179.9	25	0	0	0	109.8	Y93 L128 S129	Y93-D112 CarbonylContact O-C 3.37Å; Y93-D112 WeakPolarHBondContact O-CA 3.33Å; D112-L128 CarbonylContact O-C 3.24Å; D112-L128 WeakPolarHBondContact O-CA 3.46Å; D112-S129 PolarHBondContact N-O 2.85Å; D112-S129 PolarHBondContact O-N 3.24Å
113	I	88.9	Confident	85.2	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	121.6	-177.3	-52.6	-178.8	0	0	0	108.7	V83 L87 E92 Y93 L111 F126 L127 L128	V83-I113 HydrophobicContact CG1-CD1 3.74Å; L87-I113 HydrophobicContact CD2-CD1 4.48Å; L87-I113 HydrophobicContact CD2-CG2 3.94Å; E92-I113 VanDerWaalsContact CA-O 3.27Å; E92-I113 WeakPolarHBondContact CA-O 3.36Å; Y93-I113 HydrophobicContact CD1-CD1 4.12Å; Y93-I113 HydrophobicContact CD1-CG1 4.33Å; Y93-I113 PolarHBondContact N-O 3.18Å; Y93-I113 PolarHBondContact O-N 3.06Å; L111-I113 HydrophobicContact CD1-CG1 4.31Å; L111-I113 HydrophobicContact CD2-CD1 4Å; L111-I113 HydrophobicContact CD2-CG1 4.2Å; L111-I113 HydrophobicContact CG-CD1 4.34Å; L111-I113 HydrophobicContact CG-CG1 3.98Å; I113-F126 HydrophobicContact CG2-CD1 4.25Å; I113-L127 WeakPolarHBondContact CA-O 3.29Å; I113-L128 HydrophobicContact CD1-CD2 4.36Å; I113-L128 HydrophobicContact CG1-CD2 4.34Å; I113-L128 HydrophobicContact CG1-CG 4.15Å; I113-L128 HydrophobicContact CG2-CG 4.38Å
114	V	88.5	Confident	85.2	Confident	16 Å²	16	49 Å²	49	10%	0.097	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	121	-177.5	-177.6	0	0	0	0	110.4	L127 V217	V114-L127 HydrophobicContact CB-CB 4.45Å; V114-L127 PolarHBondContact N-O 2.79Å; V114-L127 PolarHBondContact O-N 2.95Å; V114-V217 HydrophobicContact CG1-CB 4.38Å; V114-V217 HydrophobicContact CG1-CG1 3.94Å; V114-V217 HydrophobicContact CG1-CG2 3.6Å
115	P	88.8	Confident	85.5	Confident	20 Å²	20	47.6 Å²	47.6	13%	0.13	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	127.7	175.4	29.2	-32.9	0	0	0	111.4	V123 F126	P115-V123 HydrophobicContact CB-CG1 3.72Å; P115-V123 HydrophobicContact CB-CG2 4.08Å; P115-F126 HydrophobicContact CB-CD1 4.11Å; P115-F126 HydrophobicContact CB-CE1 3.96Å
116	I	85.4	Confident	85.6	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	124	179	-62.3	151.4	0	0	0	109.6	F14 L31 V123 V124 L125 L127 V217	F14-I116 HydrophobicContact CE2-CD1 4.42Å; F14-I116 HydrophobicContact CE2-CG2 3.89Å; F14-I116 HydrophobicContact CZ-CD1 3.6Å; F14-I116 HydrophobicContact CZ-CG1 4.34Å; F14-I116 HydrophobicContact CZ-CG2 3.98Å; L31-I116 HydrophobicContact CD2-CD1 3.89Å; I116-V123 WeakPolarHBondContact O-CA 3.29Å; I116-V124 WeakPolarHBondContact O-CG2 3.48Å; I116-V124 PolarHBondContact O-N 3.37Å; I116-L125 HydrophobicContact CB-CB 4.07Å; I116-L125 WeakPolarHBondContact CB-O 3.48Å; I116-L125 HydrophobicContact CD1-CB 3.83Å; I116-L125 PolarHBondContact N-O 2.89Å; I116-L125 PolarHBondContact O-N 2.91Å; I116-L127 HydrophobicContact CD1-CB 3.7Å; I116-L127 HydrophobicContact CG1-CB 4.25Å; I116-V217 HydrophobicContact CG1-CG1 4.3Å
117	K	83.8	Confident	85.6	Confident	107 Å²	107	39 Å²	39	47%	0.465	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	151.7	179.7	-64.2	175.1	-178.5	-179.2	0	111.7	G121 E122 V123 E219 Y220	K117-G121 WeakPolarHBondContact CD-O 3.46Å; K117-E122 CarbonylContact C-O 3.58Å; K117-E122 VanDerWaalsContact CA-O 3.29Å; K117-E122 WeakPolarHBondContact CA-O 3.36Å; K117-V123 HydrophobicContact CG-CG2 3.98Å; K117-E219 WeakPolarHBondContact O-CA 3.44Å; K117-E219 WeakPolarHBondContact O-CB 3.37Å; K117-Y220 PolarHBondContact O-N 3.46Å
118	N	82.3	Confident	85.6	Confident	42 Å²	42	38.9 Å²	38.9	23%	0.225	20%	0.196	C	C	.	.			trans	-91.3	175.8	169.7	-163.4	-8.1	0	0	0	110.3	K120 G121 E122 V124 Y220	N118-K120 PolarHBondContact O-N 3.22Å; N118-G121 PolarHBondContact O-N 2.92Å; N118-E122 PolarHBondContact N-O 3.39Å; N118-V124 HydrophobicContact CB-CG1 3.7Å; N118-V124 HydrophobicContact CB-CG2 4.07Å; N118-Y220 PolarHBondContact OD1-O 2.97Å
119	E	73.4	Confident	85.6	Confident	102 Å²	102	36.5 Å²	36.5	48%	0.477	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-27.1	179.2	-57.3	-162.4	-157.6	0	0	114.5	G121 K221	E119-G121 VanDerWaalsContact C-N 3.27Å; E119-K221 HydrophobicContact CG-CB 4.11Å; E119-K221 HydrophobicContact CG-CD 3.6Å; E119-K221 HydrophobicContact CG-CG 3.56Å; E119-K221 WeakPolarHBondContact OE1-CE 3.42Å; E119-K221 WeakPolarHBondContact OE1-CG 3.25Å; E119-K221 IonicContact OE1-NZ 2.75Å; E119-K221 PolarHBondContact OE1-NZ 3Å; E119-K221 WeakPolarHBondContact OE2-CE 3.33Å; E119-K221 IonicContact OE2-NZ 2.73Å; E119-K221 PolarHBondContact OE2-NZ 3.48Å
120	K	76.8	Confident	85.7	Confident	173 Å²	173	36.7 Å²	36.7	75%	0.752	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.1	3.3	-179.9	-61.4	-175.9	-180	-177.7	0	113.2	N118 E122	N118-K120 PolarHBondContact O-N 3.22Å; K120-E122 HydrophobicContact CB-CG 4.06Å; K120-E122 PolarHBondContact O-N 3.07Å
121	G	76.8	Confident	85.6	Confident	45 Å²	45	40.9 Å²	40.9	46%	0.464	21%	0.208	S	C	.	.	S	Bend	trans	78.2	3.1	-176.2	0	0	0	0	0	114.5	K117 N118 E119	K117-G121 WeakPolarHBondContact CD-O 3.46Å; N118-G121 PolarHBondContact O-N 2.92Å; E119-G121 VanDerWaalsContact C-N 3.27Å
122	E	84.2	Confident	85.5	Confident	90 Å²	90	43.5 Å²	43.5	42%	0.421	22%	0.222	S	C	.	.			trans	-89.8	138.1	-176.7	-50.6	172	131.2	0	0	111	R35 K117 N118 K120 V124	R35-E122 IonicContact CZ-OE2 3.87Å; R35-E122 IonicContact NH1-OE2 2.67Å; R35-E122 IonicContact NH2-OE1 3.82Å; R35-E122 IonicContact NH2-OE2 2.73Å; R35-E122 PolarHBondContact NH2-OE2 3.04Å; K117-E122 CarbonylContact C-O 3.58Å; K117-E122 VanDerWaalsContact CA-O 3.29Å; K117-E122 WeakPolarHBondContact CA-O 3.36Å; N118-E122 PolarHBondContact N-O 3.39Å; K120-E122 HydrophobicContact CB-CG 4.06Å; K120-E122 PolarHBondContact O-N 3.07Å; E122-V124 PolarHBondContact O-N 3.5Å
123	V	84.4	Confident	85.3	Confident	11 Å²	11	41.7 Å²	41.7	7%	0.067	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	128.5	176.9	-173.2	0	0	0	0	110	A34 R35 Q90 P115 I116 K117 F126	A34-V123 HydrophobicContact CB-CG1 3.73Å; R35-V123 PolarHBondContact NE-O 3.5Å; Q90-V123 HydrophobicContact CB-CG2 4.27Å; P115-V123 HydrophobicContact CB-CG1 3.72Å; P115-V123 HydrophobicContact CB-CG2 4.08Å; I116-V123 WeakPolarHBondContact O-CA 3.29Å; K117-V123 HydrophobicContact CG-CG2 3.98Å; V123-F126 HydrophobicContact CG1-CE1 4.41Å
124	V	86.4	Confident	84.9	Confident	13 Å²	13	43.7 Å²	43.7	8%	0.079	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	-32.1	-178.8	-72.7	0	0	0	0	112.8	N33 A34 I116 N118 E122 Y220	N33-V124 PolarHBondContact OD1-O 3.49Å; A34-V124 PolarHBondContact N-O 2.78Å; I116-V124 WeakPolarHBondContact O-CG2 3.48Å; I116-V124 PolarHBondContact O-N 3.37Å; N118-V124 HydrophobicContact CB-CG1 3.7Å; N118-V124 HydrophobicContact CB-CG2 4.07Å; E122-V124 PolarHBondContact O-N 3.5Å; V124-Y220 HydrophobicContact CG2-CD1 3.97Å; V124-Y220 HydrophobicContact CG2-CG 4.04Å
125	L	88.8	Confident	84	Confident	18 Å²	18	51.6 Å²	51.6	9%	0.094	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	158	-178.4	-67.9	166	0	0	0	110.2	F14 G32 V43 I116 Y220	F14-L125 HydrophobicContact CE1-CD1 3.98Å; F14-L125 HydrophobicContact CZ-CD1 4.27Å; G32-L125 CarbonylContact O-C 3.46Å; G32-L125 WeakPolarHBondContact O-CA 3.36Å; G32-L125 VanDerWaalsContact O-CD2 3.3Å; G32-L125 WeakPolarHBondContact O-CD2 3.36Å; V43-L125 HydrophobicContact CG2-CD2 3.92Å; I116-L125 HydrophobicContact CB-CB 4.07Å; I116-L125 WeakPolarHBondContact CB-O 3.48Å; I116-L125 HydrophobicContact CD1-CB 3.83Å; I116-L125 PolarHBondContact N-O 2.89Å; I116-L125 PolarHBondContact O-N 2.91Å; L125-Y220 HydrophobicContact CD1-CD2 3.42Å; L125-Y220 VanDerWaalsContact CD1-CD2 3.42Å; L125-Y220 HydrophobicContact CD1-CE2 3.81Å; L125-Y220 HydrophobicContact CD1-CG 3.9Å
126	F	89.4	Confident	82.7	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	133	165.6	-69.2	-72.6	0	0	0	109	L31 G32 A34 Y40 L87 Q90 I113 P115 V123 L128	L31-F126 CarbonylContact C-O 3.45Å; L31-F126 VanDerWaalsContact CA-O 3.31Å; L31-F126 WeakPolarHBondContact CA-O 3.49Å; G32-F126 PolarHBondContact N-O 3.23Å; G32-F126 PolarHBondContact O-N 2.81Å; A34-F126 HydrophobicContact CB-CD2 3.7Å; A34-F126 HydrophobicContact CB-CE2 3.42Å; A34-F126 VanDerWaalsContact CB-CE2 3.42Å; A34-F126 HydrophobicContact CB-CZ 4.04Å; Y40-F126 HydrophobicContact CD1-CD2 4.45Å; Y40-F126 AromaticContact CD1-CE2 3.78Å; Y40-F126 HydrophobicContact CD1-CE2 3.78Å; Y40-F126 HydrophobicContact CE1-CE2 4.13Å; L87-F126 HydrophobicContact CD2-CB 4.41Å; L87-F126 HydrophobicContact CD2-CD1 3.98Å; L87-F126 HydrophobicContact CD2-CD2 3.92Å; L87-F126 HydrophobicContact CD2-CE1 4.16Å; L87-F126 HydrophobicContact CD2-CE2 4.1Å; L87-F126 HydrophobicContact CD2-CG 3.85Å; L87-F126 HydrophobicContact CD2-CZ 4.22Å; L87-F126 VanDerWaalsContact O-CZ 3.3Å; L87-F126 WeakPolarHBondContact O-CZ 3.45Å; Q90-F126 HydrophobicContact CG-CZ 4.19Å; I113-F126 HydrophobicContact CG2-CD1 4.25Å; P115-F126 HydrophobicContact CB-CD1 4.11Å; P115-F126 HydrophobicContact CB-CE1 3.96Å; V123-F126 HydrophobicContact CG1-CE1 4.41Å; F126-L128 HydrophobicContact CB-CD1 3.9Å
127	L	89.7	Confident	81.4	Confident	8 Å²	8	57.2 Å²	57.2	4%	0.042	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	121.2	168.9	177.5	67	0	0	0	108	I18 F22 F29 L31 I113 V114 I116	I18-L127 HydrophobicContact CG2-CD1 4.39Å; F22-L127 HydrophobicContact CE2-CD2 3.83Å; F22-L127 HydrophobicContact CZ-CD2 3.89Å; F29-L127 HydrophobicContact CB-CD1 4.01Å; F29-L127 HydrophobicContact CD2-CD1 3.61Å; F29-L127 HydrophobicContact CE2-CD1 4.41Å; F29-L127 HydrophobicContact CG-CD1 4.05Å; L31-L127 HydrophobicContact CD2-CB 4.23Å; L31-L127 HydrophobicContact CD2-CD1 3.65Å; I113-L127 WeakPolarHBondContact CA-O 3.29Å; V114-L127 HydrophobicContact CB-CB 4.45Å; V114-L127 PolarHBondContact N-O 2.79Å; V114-L127 PolarHBondContact O-N 2.95Å; I116-L127 HydrophobicContact CD1-CB 3.7Å; I116-L127 HydrophobicContact CG1-CB 4.25Å
128	L	90	Very high	79.9	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	118.4	175.3	-64.7	82.9	0	0	0	108.1	F29 L30 C65 L111 D112 I113 F126 F130	F29-L128 CarbonylContact C-O 3.57Å; F29-L128 WeakPolarHBondContact CA-O 3.33Å; F29-L128 VanDerWaalsContact CB-O 3.32Å; F29-L128 WeakPolarHBondContact CB-O 3.49Å; L30-L128 HydrophobicContact CB-CB 4.31Å; L30-L128 PolarHBondContact N-O 2.88Å; L30-L128 PolarHBondContact O-N 2.87Å; C65-L128 HydrophobicContact CB-CD1 4.27Å; C65-L128 HydrophobicContact CB-CD2 4.18Å; C65-L128 VanDerWaalsContact O-CD2 3.27Å; C65-L128 WeakPolarHBondContact O-CD2 3.42Å; L111-L128 HydrophobicContact CD1-CB 4.26Å; L111-L128 HydrophobicContact CD1-CD2 4.41Å; D112-L128 CarbonylContact O-C 3.24Å; D112-L128 WeakPolarHBondContact O-CA 3.46Å; I113-L128 HydrophobicContact CD1-CD2 4.36Å; I113-L128 HydrophobicContact CG1-CD2 4.34Å; I113-L128 HydrophobicContact CG1-CG 4.15Å; I113-L128 HydrophobicContact CG2-CG 4.38Å; F126-L128 HydrophobicContact CB-CD1 3.9Å; L128-F130 HydrophobicContact CB-CE2 3.69Å; L128-F130 HydrophobicContact CB-CZ 4.11Å; L128-F130 HydrophobicContact CD2-CZ 4.43Å
129	S	88.6	Confident	78.1	Confident	24 Å²	24	60.1 Å²	60.1	17%	0.168	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	136.3	177.8	179.6	0	0	0	0	110.4	D112	D112-S129 PolarHBondContact N-O 2.85Å; D112-S129 PolarHBondContact O-N 3.24Å
130	F	88.7	Confident	76.7	Confident	4 Å²	4	59.2 Å²	59.2	2%	0.018	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	115.8	-172.8	-63.9	-99.4	0	0	0	110.1	N28 L30 F49 L52 F99 L111 L128	N28-F130 HydrophobicContact CB-CB 4.13Å; N28-F130 VanDerWaalsContact CB-O 3.27Å; N28-F130 WeakPolarHBondContact CB-O 3.43Å; N28-F130 PolarHBondContact ND2-O 2.99Å; N28-F130 PolarHBondContact O-N 3.15Å; L30-F130 HydrophobicContact CB-CE2 4.21Å; L30-F130 HydrophobicContact CD1-CE2 3.65Å; L30-F130 HydrophobicContact CD1-CZ 3.72Å; L30-F130 HydrophobicContact CG-CE2 3.68Å; L30-F130 HydrophobicContact CG-CZ 4.28Å; F49-F130 AromaticContact CD2-CD2 3.7Å; F49-F130 HydrophobicContact CD2-CD2 3.7Å; F49-F130 AromaticContact CD2-CE2 3.95Å; F49-F130 HydrophobicContact CD2-CE2 3.95Å; F49-F130 HydrophobicContact CD2-CG 4.05Å; F49-F130 HydrophobicContact CD2-CZ 4.47Å; F49-F130 HydrophobicContact CE2-CD1 4.11Å; F49-F130 AromaticContact CE2-CD2 3.86Å; F49-F130 HydrophobicContact CE2-CD2 3.86Å; F49-F130 AromaticContact CE2-CE1 3.98Å; F49-F130 HydrophobicContact CE2-CE1 3.98Å; F49-F130 AromaticContact CE2-CE2 3.75Å; F49-F130 HydrophobicContact CE2-CE2 3.75Å; F49-F130 HydrophobicContact CE2-CG 4.06Å; F49-F130 AromaticContact CE2-CZ 3.81Å; F49-F130 HydrophobicContact CE2-CZ 3.81Å; L52-F130 HydrophobicContact CD2-CB 4.1Å; F99-F130 HydrophobicContact CE2-CD1 4.19Å; F99-F130 AromaticContact CE2-CE1 3.97Å; F99-F130 HydrophobicContact CE2-CE1 3.97Å; L111-F130 HydrophobicContact CD1-CD1 4.01Å; L111-F130 HydrophobicContact CD1-CE1 3.64Å; L111-F130 HydrophobicContact CD1-CE2 4.21Å; L111-F130 HydrophobicContact CD1-CG 4.45Å; L111-F130 HydrophobicContact CD1-CZ 3.74Å; L128-F130 HydrophobicContact CB-CE2 3.69Å; L128-F130 HydrophobicContact CB-CZ 4.11Å; L128-F130 HydrophobicContact CD2-CZ 4.43Å
131	K	86.8	Confident	75.1	Confident	126 Å²	126	57.7 Å²	57.7	55%	0.548	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	122	176.1	-173.3	177.8	-178.4	-179.3	0	110.8	C109 L110 V133	C109-K131 CarbonylContact C-O 3.49Å; C109-K131 WeakPolarHBondContact CA-O 3.23Å; L110-K131 HydrophobicContact CB-CB 4.32Å; L110-K131 PolarHBondContact N-O 3.18Å; L110-K131 PolarHBondContact O-N 2.88Å; K131-V133 PolarHBondContact O-N 3.18Å
132	D	85.6	Confident	73	Confident	59 Å²	59	61.4 Å²	61.4	32%	0.316	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	123.2	175.3	-163.3	-22.5	0	0	0	109.9	L52 R101 S134	L52-D132 HydrophobicContact CD1-CB 4.09Å; R101-D132 IonicContact NH2-OD2 3.24Å; R101-D132 PolarHBondContact NH2-OD2 3.19Å; D132-S134 WeakPolarHBondContact OD1-CB 3.37Å; D132-S134 PolarHBondContact OD1-N 3.19Å; D132-S134 PolarHBondContact OD1-OG 3.44Å
133	V	84.6	Confident	70.9	Confident	17 Å²	17	66.1 Å²	66.1	10%	0.103	34%	0.337	C	S	.	.			trans	-121.6	17	-179.7	-66	0	0	0	0	111.9	W108 L110 K131 E135 S136 Y137	W108-V133 HydrophobicContact CB-CG2 3.87Å; W108-V133 WeakPolarHBondContact O-CG2 3.5Å; W108-V133 PolarHBondContact O-N 3.35Å; L110-V133 HydrophobicContact CB-CG1 4.15Å; K131-V133 PolarHBondContact O-N 3.18Å; V133-E135 VanDerWaalsContact C-N 3.28Å; V133-E135 PolarHBondContact O-N 2.82Å; V133-S136 PolarHBondContact O-N 2.82Å; V133-S136 PolarHBondContact O-OG 3.06Å; V133-Y137 HydrophobicContact CG2-CD2 4.38Å; V133-Y137 PolarHBondContact O-N 3.2Å
134	S	79.4	Confident	68.7	Low	42 Å²	42	72 Å²	72	29%	0.294	37%	0.367	S	S	.	.	H	α-helix	trans	-59.2	-35.8	-177	-54.6	0	0	0	0	113.1	F107 W108 D132 Y137 G138	F107-S134 WeakPolarHBondContact CA-OG 3.29Å; F107-S134 WeakPolarHBondContact CB-OG 3.37Å; W108-S134 PolarHBondContact N-OG 2.82Å; D132-S134 WeakPolarHBondContact OD1-CB 3.37Å; D132-S134 PolarHBondContact OD1-N 3.19Å; D132-S134 PolarHBondContact OD1-OG 3.44Å; S134-Y137 PolarHBondContact O-N 2.72Å; S134-G138 PolarHBondContact O-N 2.67Å
135	E	70.6	Confident	66.3	Low	181 Å²	181	79.6 Å²	79.6	85%	0.846	40%	0.402	S	S	*	.	H	α-helix	trans	-69.2	-32.4	179.2	-69.8	-171.4	170.6	0	0	113.7	V133	V133-E135 VanDerWaalsContact C-N 3.28Å; V133-E135 PolarHBondContact O-N 2.82Å
136	S	60.7	Low	63.7	Low	65 Å²	65	85.2 Å²	85.2	46%	0.455	43%	0.427	S	S	.	.	H	α-helix	trans	-76	-32.9	177.7	36.4	0	0	0	0	112.5	V133 K139 S140	V133-S136 PolarHBondContact O-N 2.82Å; V133-S136 PolarHBondContact O-OG 3.06Å; S136-K139 PolarHBondContact O-N 3.08Å; S136-S140 PolarHBondContact O-OG 3.06Å
137	Y	58.7	Low	60.9	Low	75 Å²	75	93 Å²	93	29%	0.294	47%	0.469	S	S	.	.	H	α-helix	trans	-68.3	-35.4	177.6	-106.8	-93.4	0	0	0	112.8	E96 W108 V133 S134 K139 S140	E96-Y137 WeakPolarHBondContact OE2-CE2 3.49Å; E96-Y137 PolarHBondContact OE2-OH 3.26Å; W108-Y137 HydrophobicContact CB-CD2 4.28Å; W108-Y137 HydrophobicContact CD2-CD1 4.41Å; W108-Y137 HydrophobicContact CD2-CD2 4.47Å; W108-Y137 HydrophobicContact CD2-CE1 4.35Å; W108-Y137 HydrophobicContact CD2-CE2 4.42Å; W108-Y137 HydrophobicContact CD2-CG 4.46Å; W108-Y137 HydrophobicContact CE3-CE2 4.36Å; W108-Y137 HydrophobicContact CG-CD2 4.22Å; W108-Y137 HydrophobicContact CG-CG 4.18Å; W108-Y137 HydrophobicContact CZ2-CE1 4.45Å; V133-Y137 HydrophobicContact CG2-CD2 4.38Å; V133-Y137 PolarHBondContact O-N 3.2Å; S134-Y137 PolarHBondContact O-N 2.72Å; Y137-K139 VanDerWaalsContact C-N 3.28Å; Y137-K139 PolarHBondContact O-N 3.05Å; Y137-S140 PolarHBondContact O-N 2.78Å
138	G	51.5	Low	58.1	Low	52 Å²	52	101.6 Å²	101.6	54%	0.536	51%	0.509	S	S	.	.	H	α-helix	trans	-65.1	-25.1	178.4	0	0	0	0	0	114.7	S134	S134-G138 PolarHBondContact O-N 2.67Å
139	K	46.2	Very low	55.4	Low	158 Å²	158	112.3 Å²	112.3	69%	0.687	55%	0.549	S	S	*	.	H	α-helix	trans	-83.6	-31.5	179.2	-71.7	-178.6	179.5	175.6	0	113.3	S136 Y137 Y143	S136-K139 PolarHBondContact O-N 3.08Å; Y137-K139 VanDerWaalsContact C-N 3.28Å; Y137-K139 PolarHBondContact O-N 3.05Å; K139-Y143 WeakPolarHBondContact O-CD2 3.48Å
140	S	44	Very low	52.5	Low	83 Å²	83	120.3 Å²	120.3	58%	0.58	58%	0.584	S	S	*	*	H	α-helix	trans	-73.3	-27	-177.8	-56.2	0	0	0	0	113.4	S136 Y137	S136-S140 PolarHBondContact O-OG 3.06Å; Y137-S140 PolarHBondContact O-N 2.78Å
141	H	41.5	Very low	49.6	Very low	140 Å²	140	129.3 Å²	129.3	65%	0.648	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	-17.3	179.8	-102.4	-81.5	0	0	0	114.5
142	H	34.3	Very low	46.7	Very low	124 Å²	124	131.6 Å²	131.6	57%	0.574	64%	0.639	S	S	*	*	G	3₁₀ helix	trans	-76.3	-23.8	-178.3	-145.7	-23.9	0	0	0	113	E146	H142-E146 IonicContact CE1-OE1 3.1Å; H142-E146 IonicContact ND1-OE1 3.08Å
143	Y	38.7	Very low	43.9	Very low	188 Å²	188	134.9 Å²	134.9	74%	0.737	66%	0.661	S	S	*	*	G	3₁₀ helix	trans	-79.7	-15.9	-179.1	-76.9	-77.3	0	0	0	115	K139	K139-Y143 WeakPolarHBondContact O-CD2 3.48Å
144	I	39.4	Very low	41.1	Very low	136 Å²	136	141.3 Å²	141.3	70%	0.697	70%	0.695	S	S	*	*	G	3₁₀ helix	trans	-85.7	-14.7	-177.8	-62.8	172.7	0	0	0	111.5
145	H	36	Very low	38.5	Very low	172 Å²	172	151.1 Å²	151.1	80%	0.796	73%	0.725	S	S	*	*	S	Bend	trans	-108.5	-1.2	-169.1	-127.2	-59.7	0	0	0	115.7
146	E	33.6	Very low	36.3	Very low	136 Å²	136	148.6 Å²	148.6	64%	0.636	73%	0.727	S	S	*	*	S	Bend	trans	-104	-8.4	-176.6	-72.7	-171.8	165.2	0	0	115.1	H142 E148	H142-E146 IonicContact CE1-OE1 3.1Å; H142-E146 IonicContact ND1-OE1 3.08Å; E146-E148 VanDerWaalsContact C-N 3.33Å; E146-E148 PolarHBondContact O-N 3.27Å
147	D	29.9	Very low	34.5	Very low	162 Å²	162	155.2 Å²	155.2	87%	0.866	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.5	6.8	-173.1	-109.9	-3.9	0	0	0	115.8
148	E	32.6	Very low	32.8	Very low	190 Å²	190	160.4 Å²	160.4	89%	0.888	78%	0.775	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.7	2.9	-178.8	-87.9	-166.6	169.4	0	0	116	E146	E146-E148 VanDerWaalsContact C-N 3.33Å; E146-E148 PolarHBondContact O-N 3.27Å
149	R	31.8	Very low	31.4	Very low	224 Å²	224	167.2 Å²	167.2	85%	0.845	79%	0.79	S	S	*	*	S	Bend	trans	-145.1	89.3	177.9	-70.4	-172.8	-176	167.1	2.5	113
150	Q	29	Very low	30.5	Very low	192 Å²	192	165.4 Å²	165.4	90%	0.897	79%	0.792	S	S	*	*				159.2	90.7	124.5	-86.8	168.6	-24.2	0	0	110.4
151	E	26.3	Very low	29.5	Very low	193 Å²	193	169.4 Å²	169.4	90%	0.902	81%	0.806	S	S	*	*			trans	-67.4	116.9	138.2	-77.3	-178.3	150.7	0	0	106.9
152	E	26.8	Very low	28.7	Very low	175 Å²	175	166.6 Å²	166.6	82%	0.818	80%	0.802	S	S	*	*				171.4	124.7	127.8	-95.9	179.7	161.4	0	0	111.7
153	T	27.3	Very low	28.2	Very low	127 Å²	127	169.6 Å²	169.6	78%	0.779	82%	0.816	S	S	*	*			trans	72.7	93.2	149.8	40	0	0	0	0	121
154	D	25	Very low	27.5	Very low	152 Å²	152	168.5 Å²	168.5	81%	0.813	82%	0.822	S	S	*	*				21.4	115.7	117.1	-77.4	-16.9	0	0	0	119.3
155	R	24.1	Very low	27.4	Very low	248 Å²	248	166.8 Å²	166.8	94%	0.936	82%	0.82	S	S	*	*				177	137.9	102.1	-97.5	-178.1	-175.3	-148.8	0.7	112.3
156	C	24.7	Very low	26.9	Very low	129 Å²	129	166.5 Å²	166.5	87%	0.872	82%	0.818	S	S	*	*			trans	-55.3	147.8	171.2	-71.7	0	0	0	0	113.4
157	E	23.2	Very low	26.5	Very low	203 Å²	203	166.9 Å²	166.9	95%	0.949	83%	0.825	S	S	*	*				-157.1	145.9	127.7	-116.7	175.7	-162.6	0	0	114.4
158	F	23.1	Very low	26.2	Very low	185 Å²	185	162 Å²	162	81%	0.811	81%	0.813	S	S	*	*			trans	-98.9	131.8	-168.4	-153.9	-90	0	0	0	108
159	K	22.6	Very low	26	Very low	195 Å²	195	163.2 Å²	163.2	85%	0.848	82%	0.815	S	S	*	*				170.7	133.7	129.1	-98.4	172.1	-179.6	172.6	0	114.3
160	T	26.3	Very low	25.7	Very low	120 Å²	120	159.8 Å²	159.8	74%	0.736	81%	0.809	S	S	*	*			trans	-49.4	142.7	161.3	-35.6	0	0	0	0	113.4
161	L	23.5	Very low	25.9	Very low	166 Å²	166	156.9 Å²	156.9	87%	0.869	81%	0.807	S	S	*	*			trans	-149.4	127.1	144.7	-147	92.6	0	0	0	112.5
162	S	24.6	Very low	26	Very low	81 Å²	81	154.9 Å²	154.9	57%	0.566	80%	0.798	S	S	*	*			trans	-66.9	159.4	159.3	47.6	0	0	0	0	113.5
163	Q	23.9	Very low	26	Very low	188 Å²	188	153.2 Å²	153.2	88%	0.879	80%	0.799	S	S	*	*			trans	115.8	116.6	151.1	-64.1	179	-13.6	0	0	117.8
164	L	23.6	Very low	26	Very low	165 Å²	165	157.2 Å²	157.2	86%	0.864	81%	0.806	S	S	*	*			trans	-57.8	-177.4	159.4	-77.5	148	0	0	0	113.3
165	P	36.7	Very low	26.1	Very low	100 Å²	100	159.4 Å²	159.4	65%	0.649	81%	0.808	S	S	*	*			cis	-140.2	-167.2	-5.6	21.5	6.2	0	0	0	115.7
166	H	26.6	Very low	26.3	Very low	165 Å²	165	155.1 Å²	155.1	76%	0.764	80%	0.802	S	S	*	*			trans	90.5	139.7	156.4	-78.5	-67.2	0	0	0	118.2
167	D	25.7	Very low	26.3	Very low	145 Å²	145	156.7 Å²	156.7	78%	0.775	80%	0.802	S	S	*	*			cis	-173.3	159	-13.6	-152.9	-25.5	0	0	0	106.5
168	G	23.8	Very low	26.6	Very low	60 Å²	60	151.5 Å²	151.5	62%	0.619	79%	0.794	S	S	*	*			trans	145.4	82.4	159.1	0	0	0	0	0	120
169	K	26.5	Very low	26.9	Very low	215 Å²	215	151.5 Å²	151.5	94%	0.935	80%	0.796	S	S	*	*			trans	94.5	109.7	139.1	-62.4	-178.3	179.4	177.5	0	120.5
170	Q	27.2	Very low	27.1	Very low	151 Å²	151	151.9 Å²	151.9	71%	0.706	80%	0.798	S	S	*	*			trans	-81.6	174.3	169.6	-117.2	177.7	3.2	0	0	112.3
171	P	33.1	Very low	27.2	Very low	131 Å²	131	154 Å²	154	85%	0.851	81%	0.805	S	S	*	*				-141.7	157.1	53.2	34.6	-12.3	0	0	0	119
172	E	27.9	Very low	27.5	Very low	152 Å²	152	153.2 Å²	153.2	71%	0.71	81%	0.806	S	S	*	*			trans	-98.9	145.9	-179.4	-66.8	178.8	141.1	0	0	113.4
173	T	25.8	Very low	27.7	Very low	139 Å²	139	153.8 Å²	153.8	85%	0.853	82%	0.816	S	S	*	*			trans	-144.2	104.1	138.8	46.8	0	0	0	0	109.3
174	K	29	Very low	27.9	Very low	212 Å²	212	152.9 Å²	152.9	92%	0.922	82%	0.817	S	S	*	*			trans	-178.7	100.8	147.9	-103	173.1	-174.1	-177.8	0	109.2
175	K	25.6	Very low	28	Very low	197 Å²	197	152.9 Å²	152.9	86%	0.857	82%	0.817	S	S	*	*			trans	-95.3	155.4	166.4	-87.1	-179.8	175.5	176	0	109.4
176	I	28.3	Very low	27.5	Very low	158 Å²	158	154.1 Å²	154.1	81%	0.81	82%	0.823	S	S	*	*			trans	99.8	75.5	174.2	-49.3	159.6	0	0	0	113.5
177	N	26.3	Very low	27.3	Very low	163 Å²	163	155.3 Å²	155.3	87%	0.872	83%	0.827	S	S	*	*			trans	179.4	75.1	135.8	-91.7	-13.4	0	0	0	109.5
178	A	28.8	Very low	27.3	Very low	94 Å²	94	157.8 Å²	157.8	78%	0.777	83%	0.831	S	S	*	*			trans	-152	68.8	168.5	0	0	0	0	0	108.7
179	H	29	Very low	27.3	Very low	185 Å²	185	162.6 Å²	162.6	86%	0.856	84%	0.841	S	S	*	*	S	Bend	trans	-153.4	54	171.7	-111.4	-76.6	0	0	0	109.4
180	F	27.4	Very low	27.2	Very low	202 Å²	202	158.9 Å²	158.9	89%	0.886	84%	0.836	S	S	*	*	S	Bend	trans	-155	18.7	171.3	-122.2	-81	0	0	0	117.2
181	N	27.9	Very low	27.3	Very low	165 Å²	165	156.5 Å²	156.5	88%	0.882	83%	0.834	S	S	*	*	S	Bend	trans	-129.2	49.8	178.6	-86.5	-28.1	0	0	0	113.8
182	V	30.6	Very low	26.9	Very low	149 Å²	149	158.4 Å²	158.4	90%	0.903	83%	0.831	S	S	*	*	S	Bend	trans	-136.1	7.6	171.9	-178	0	0	0	0	113.7
183	A	27.1	Very low	26.7	Very low	93 Å²	93	159.1 Å²	159.1	77%	0.769	83%	0.834	S	S	*	*	S	Bend	trans	-119.8	60.4	-176.6	0	0	0	0	0	113.3
184	L	28.6	Very low	26.6	Very low	170 Å²	170	157.3 Å²	157.3	89%	0.89	83%	0.827	S	S	*	*	S	Bend	trans	-168	61.4	162.7	-105.3	141.4	0	0	0	110.2
185	N	26.3	Very low	26.4	Very low	164 Å²	164	153 Å²	153	88%	0.877	82%	0.818	S	S	*	*			trans	-154.6	70.1	163.3	-103.3	-11	0	0	0	109.1
186	T	25.3	Very low	26.4	Very low	127 Å²	127	150.3 Å²	150.3	78%	0.779	81%	0.812	S	S	*	*			trans	-155.1	140.5	163.8	-35.6	0	0	0	0	107.2
187	F	24.1	Very low	26.3	Very low	189 Å²	189	151.8 Å²	151.8	83%	0.829	82%	0.816	S	S	*	*	S	Bend	trans	82	93.3	-164	-57.3	-79.3	0	0	0	111.6
188	F	24.8	Very low	26.2	Very low	197 Å²	197	147.3 Å²	147.3	86%	0.864	81%	0.807	S	S	*	*			cis	-152.9	136.9	46.6	-88.9	-100.8	0	0	0	111
189	I	23	Very low	26.2	Very low	161 Å²	161	150.6 Å²	150.6	83%	0.826	81%	0.81	S	S	*	*			trans	-125.7	131.7	156.8	-67.5	-179.7	0	0	0	106.1
190	V	25.4	Very low	26	Very low	137 Å²	137	152.9 Å²	152.9	83%	0.83	81%	0.812	S	S	*	*			trans	175	148.8	141.1	149.2	0	0	0	0	109.1
191	P	29.1	Very low	26	Very low	102 Å²	102	150.2 Å²	150.2	66%	0.662	81%	0.807	S	S	*	*				-123.9	167.9	-124	45	-36.1	0	0	0	117.4
192	Q	23.7	Very low	26	Very low	170 Å²	170	148.8 Å²	148.8	79%	0.794	80%	0.803	S	S	*	*			trans	47.7	117.9	135	-152.8	178.7	-14.5	0	0	121.4
193	E	24.2	Very low	25.7	Very low	168 Å²	168	148.3 Å²	148.3	79%	0.785	79%	0.791	S	S	*	*				172.2	133	112.2	-95.6	-171.6	159.1	0	0	114.4
194	S	23	Very low	25.6	Very low	100 Å²	100	154.6 Å²	154.6	70%	0.699	80%	0.802	S	S	*	*			trans	24.3	135.3	147.7	62.7	0	0	0	0	123.2
195	V	26.1	Very low	25.4	Very low	122 Å²	122	153.8 Å²	153.8	74%	0.739	79%	0.791	S	S	*	*				168.7	111.7	106.6	163.2	0	0	0	0	110.6
196	I	25.4	Very low	25.6	Very low	140 Å²	140	152.7 Å²	152.7	72%	0.718	78%	0.784	S	S	*	*			trans	51.5	117	135	-54.7	175.8	0	0	0	120.7
197	E	25.2	Very low	25.4	Very low	190 Å²	190	151.9 Å²	151.9	89%	0.888	78%	0.783	S	S	*	*			trans	37.3	119.5	138.4	-60	177	142	0	0	120.5
198	G	24.7	Very low	25.5	Very low	68 Å²	68	148.2 Å²	148.2	70%	0.701	78%	0.78	S	S	*	*			trans	174.3	113.1	153.6	0	0	0	0	0	111.9
199	I	28.4	Very low	25.5	Very low	164 Å²	164	147.7 Å²	147.7	84%	0.841	78%	0.779	S	S	*	*			trans	88.7	79.8	161.1	-46.5	161.7	0	0	0	114.2
200	R	25.4	Very low	25.5	Very low	233 Å²	233	145 Å²	145	88%	0.879	78%	0.775	S	S	*	*			trans	-61.2	148	142.8	-83.4	177.9	171.8	165.1	-3.5	108.6
201	D	28.5	Very low	25.5	Very low	146 Å²	146	146.9 Å²	146.9	78%	0.781	78%	0.777	S	S	*	*			trans	78.1	90.3	173.1	-52.3	-28.6	0	0	0	115.5
202	V	26.3	Very low	25.7	Very low	135 Å²	135	150.8 Å²	150.8	82%	0.818	78%	0.784	S	S	*	*	S	Bend		-173.9	122.3	129.3	155.5	0	0	0	0	108.7
203	E	26.1	Very low	25.9	Very low	139 Å²	139	151.6 Å²	151.6	65%	0.65	79%	0.788	S	S	*	*			trans	60.6	83.4	165.5	-78.4	-178.9	138.3	0	0	119.5	K205	E203-K205 HydrophobicContact CB-CB 3.99Å; E203-K205 HydrophobicContact CG-CB 4.08Å; E203-K205 HydrophobicContact CG-CD 4.39Å; E203-K205 PolarHBondContact O-N 2.95Å; E203-K205 WeakPolarHBondContact OE1-CD 3.46Å; E203-K205 IonicContact OE1-NZ 3.65Å; E203-K205 PolarHBondContact OE1-NZ 2.99Å
204	F	24.9	Very low	26.4	Very low	225 Å²	225	150.5 Å²	150.5	99%	0.987	78%	0.78	S	S	*	*			trans	-73.4	61.9	143.6	-138.3	-90.6	0	0	0	109.2
205	K	23.9	Very low	27.5	Very low	152 Å²	152	149.5 Å²	149.5	66%	0.661	77%	0.771	S	S	*	*			trans	-102.6	86.4	174.1	-165.3	173.4	-173.9	179.2	0	107.4	E203 S207	E203-K205 HydrophobicContact CB-CB 3.99Å; E203-K205 HydrophobicContact CG-CB 4.08Å; E203-K205 HydrophobicContact CG-CD 4.39Å; E203-K205 PolarHBondContact O-N 2.95Å; E203-K205 WeakPolarHBondContact OE1-CD 3.46Å; E203-K205 IonicContact OE1-NZ 3.65Å; E203-K205 PolarHBondContact OE1-NZ 2.99Å; K205-S207 PolarHBondContact O-N 3.21Å
206	I	29.8	Very low	28.9	Very low	142 Å²	142	149 Å²	149	73%	0.728	77%	0.774	S	S	*	*			trans	23.4	77.6	153.7	-54.1	172	0	0	0	112.8	C208	I206-C208 HydrophobicContact CG2-CB 3.92Å; I206-C208 PolarHBondContact O-N 3.47Å
207	S	22	Very low	30.6	Very low	110 Å²	110	145.3 Å²	145.3	77%	0.769	76%	0.757	S	S	*	*			trans	-77.9	74.5	158.3	-171	0	0	0	0	107.6	K205	K205-S207 PolarHBondContact O-N 3.21Å
208	C	26.6	Very low	32.3	Very low	111 Å²	111	137.9 Å²	137.9	75%	0.75	73%	0.725	S	S	*	*			trans	-119.8	15.6	162.9	-81.3	0	0	0	0	110.9	I206	I206-C208 HydrophobicContact CG2-CB 3.92Å; I206-C208 PolarHBondContact O-N 3.47Å
209	H	24.6	Very low	34.3	Very low	186 Å²	186	139.8 Å²	139.8	86%	0.861	72%	0.716	S	S	*	*	S	Bend	trans	-87.1	-1.3	-177.6	-150	-14.2	0	0	0	114.3
210	S	22.7	Very low	35.9	Very low	105 Å²	105	136.3 Å²	136.3	73%	0.734	69%	0.693	S	S	*	*	S	Bend	trans	-119.9	9.7	-171.1	76.2	0	0	0	0	117.8
211	M	24.9	Very low	37.7	Very low	176 Å²	176	128.8 Å²	128.8	87%	0.867	67%	0.667	S	S	*	*	S	Bend	trans	-102.8	1	-178.8	-113.7	-172.5	-153.7	0	0	116.7
212	F	32.8	Very low	38.9	Very low	184 Å²	184	125.3 Å²	125.3	81%	0.807	65%	0.651	S	S	*	*			trans	-118.5	92.5	170.5	-77.6	-82.2	0	0	0	110.1	K214	F212-K214 VanDerWaalsContact C-N 3.32Å; F212-K214 PolarHBondContact O-N 3.48Å
213	Q	29.1	Very low	40.1	Very low	187 Å²	187	120.4 Å²	120.4	87%	0.874	62%	0.624	S	S	*	*			trans	-63.5	96.3	162.1	-167.9	172.1	23.4	0	0	107	P215	Q213-P215 WeakPolarHBondContact O-CD 3.27Å
214	K	34.7	Very low	41.3	Very low	146 Å²	146	117.6 Å²	117.6	64%	0.635	62%	0.62	S	S	*	*			trans	-49.4	106.7	179.9	-89.7	-174.5	176.2	-176.6	0	110.1	E92 F212	E92-K214 IonicContact OE1-NZ 2.95Å; E92-K214 PolarHBondContact OE1-NZ 3.45Å; E92-K214 IonicContact OE2-NZ 2.86Å; E92-K214 PolarHBondContact OE2-NZ 2.86Å; F212-K214 VanDerWaalsContact C-N 3.32Å; F212-K214 PolarHBondContact O-N 3.48Å
215	P	46	Very low	42.8	Very low	78 Å²	78	110.5 Å²	110.5	51%	0.506	60%	0.595	S	S	.	*	P	Polyproline II helix	trans	-68.8	141.4	165.8	-8	27.3	0	0	0	106.7	H21 Q213 V217	H21-P215 WeakPolarHBondContact NE2-CB 3.31Å; H21-P215 WeakPolarHBondContact NE2-CG 3.26Å; Q213-P215 WeakPolarHBondContact O-CD 3.27Å; P215-V217 PolarHBondContact O-N 3.46Å; P215-V217 VanDerWaalsContact O-N 3.07Å
216	S	54.4	Low	44.2	Very low	113 Å²	113	112.7 Å²	112.7	79%	0.79	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-57.3	116.7	178.3	56.8	0	0	0	0	110.2
217	V	61	Low	45.4	Very low	61 Å²	61	112.4 Å²	112.4	37%	0.37	60%	0.598	S	S	.	*	P	Polyproline II helix	trans	-53.1	132.9	177.6	-175.9	0	0	0	0	109.3	V114 I116 P215 E219	V114-V217 HydrophobicContact CG1-CB 4.38Å; V114-V217 HydrophobicContact CG1-CG1 3.94Å; V114-V217 HydrophobicContact CG1-CG2 3.6Å; I116-V217 HydrophobicContact CG1-CG1 4.3Å; P215-V217 PolarHBondContact O-N 3.46Å; P215-V217 VanDerWaalsContact O-N 3.07Å; V217-E219 PolarHBondContact O-N 3.44Å
218	P	62	Low	47.4	Very low	34 Å²	34	110 Å²	110	22%	0.221	58%	0.581	C	S	.	*	P	Polyproline II helix	trans	-64	128.5	178.9	24.7	-31.9	0	0	0	110.4	F14 I18	F14-P218 HydrophobicContact CE2-CB 4.46Å; F14-P218 HydrophobicContact CE2-CG 4.38Å; I18-P218 HydrophobicContact CG1-CG 3.8Å
219	E	65.7	Low	49.3	Very low	108 Å²	108	116 Å²	116	51%	0.505	59%	0.588	S	S	.	*	P	Polyproline II helix	trans	-71.2	143.9	172.2	-70.2	179.5	174.8	0	0	110.6	K117 V217 K221	K117-E219 WeakPolarHBondContact O-CA 3.44Å; K117-E219 WeakPolarHBondContact O-CB 3.37Å; V217-E219 PolarHBondContact O-N 3.44Å; E219-K221 VanDerWaalsContact C-N 3.26Å; E219-K221 PolarHBondContact O-N 3.37Å
220	Y	63.3	Low	51.8	Low	91 Å²	91	114.7 Å²	114.7	36%	0.357	58%	0.58	S	S	.	*			trans	-74.6	84.9	172.2	-175.9	-99.4	0	0	0	109	F14 K117 N118 V124 L125	F14-Y220 HydrophobicContact CB-CD2 4.46Å; F14-Y220 AromaticContact CD1-CD2 3.8Å; F14-Y220 HydrophobicContact CD1-CD2 3.8Å; F14-Y220 HydrophobicContact CD1-CE2 4.25Å; F14-Y220 HydrophobicContact CD2-CD2 4.21Å; F14-Y220 HydrophobicContact CE1-CD2 4.04Å; F14-Y220 HydrophobicContact CE2-CD2 4.44Å; F14-Y220 AromaticContact CG-CD2 3.88Å; F14-Y220 HydrophobicContact CG-CD2 3.88Å; F14-Y220 HydrophobicContact CZ-CD2 4.35Å; K117-Y220 PolarHBondContact O-N 3.46Å; N118-Y220 PolarHBondContact OD1-O 2.97Å; V124-Y220 HydrophobicContact CG2-CD1 3.97Å; V124-Y220 HydrophobicContact CG2-CG 4.04Å; L125-Y220 HydrophobicContact CD1-CD2 3.42Å; L125-Y220 VanDerWaalsContact CD1-CD2 3.42Å; L125-Y220 HydrophobicContact CD1-CE2 3.81Å; L125-Y220 HydrophobicContact CD1-CG 3.9Å
221	K	62.6	Low	54.8	Low	76 Å²	76	110.8 Å²	110.8	33%	0.33	55%	0.551	S	S	.	*			trans	-127.6	139	-174.2	-179.1	169.2	-177.2	135.6	0	110.5	E119 E219 A223	E119-K221 HydrophobicContact CG-CB 4.11Å; E119-K221 HydrophobicContact CG-CD 3.6Å; E119-K221 HydrophobicContact CG-CG 3.56Å; E119-K221 WeakPolarHBondContact OE1-CE 3.42Å; E119-K221 WeakPolarHBondContact OE1-CG 3.25Å; E119-K221 IonicContact OE1-NZ 2.75Å; E119-K221 PolarHBondContact OE1-NZ 3Å; E119-K221 WeakPolarHBondContact OE2-CE 3.33Å; E119-K221 IonicContact OE2-NZ 2.73Å; E119-K221 PolarHBondContact OE2-NZ 3.48Å; E219-K221 VanDerWaalsContact C-N 3.26Å; E219-K221 PolarHBondContact O-N 3.37Å; K221-A223 HydrophobicContact CG-CB 4.35Å; K221-A223 PolarHBondContact O-N 3.19Å
222	V	54.4	Low	57.7	Low	73 Å²	73	104 Å²	104	44%	0.442	52%	0.518	S	S	.	.			trans	-70.7	76.6	160.1	-178.8	0	0	0	0	107	P10 N12 S224	P10-V222 HydrophobicContact CB-CG1 3.69Å; P10-V222 HydrophobicContact CG-CG1 4.02Å; N12-V222 WeakPolarHBondContact OD1-CA 3.35Å; N12-V222 WeakPolarHBondContact OD1-CB 3.44Å; N12-V222 WeakPolarHBondContact OD1-CG2 3.4Å; N12-V222 PolarHBondContact OD1-N 2.87Å; V222-S224 PolarHBondContact O-N 3.39Å; V222-S224 VanDerWaalsContact O-N 3.17Å
223	A	50.3	Low	60.2	Low	32 Å²	32	96.6 Å²	96.6	26%	0.264	49%	0.486	S	S	.	.			trans	-73.4	114.1	-173.9	0	0	0	0	0	108.3	K221 V225	K221-A223 HydrophobicContact CG-CB 4.35Å; K221-A223 PolarHBondContact O-N 3.19Å; A223-V225 PolarHBondContact O-N 2.87Å
224	S	52.1	Low	63	Low	80 Å²	80	88.4 Å²	88.4	56%	0.559	45%	0.448	S	S	*	.			trans	-55.1	125.8	155.8	64.4	0	0	0	0	106.9	V222 K226	V222-S224 PolarHBondContact O-N 3.39Å; V222-S224 VanDerWaalsContact O-N 3.17Å; S224-K226 PolarHBondContact O-N 3.48Å; S224-K226 VanDerWaalsContact O-N 3.14Å
225	V	55.7	Low	65.3	Low	76 Å²	76	85 Å²	85	46%	0.461	43%	0.432	S	S	.	.			trans	-41.5	122.7	-174.6	-179.2	0	0	0	0	109.5	A223 K227 Y312	A223-V225 PolarHBondContact O-N 2.87Å; V225-K227 WeakPolarHBondContact O-CG 3.17Å; V225-K227 PolarHBondContact O-N 3.49Å; V225-Y312 HydrophobicContact CB-CD2 4.38Å; V225-Y312 HydrophobicContact CB-CE2 4.13Å; V225-Y312 HydrophobicContact CG1-CD2 3.65Å; V225-Y312 HydrophobicContact CG1-CE2 3.9Å; V225-Y312 HydrophobicContact CG1-CG 4.15Å; V225-Y312 HydrophobicContact CG2-CE2 4.31Å
226	K	54.1	Low	67.2	Low	197 Å²	197	83.2 Å²	83.2	86%	0.857	42%	0.421	S	S	*	.			trans	-51.4	103.2	-175.2	-82.1	-178.9	179	174.2	0	109	S224 S228	S224-K226 PolarHBondContact O-N 3.48Å; S224-K226 VanDerWaalsContact O-N 3.14Å; K226-S228 PolarHBondContact O-N 2.99Å
227	K	55.5	Low	68.7	Low	137 Å²	137	84.3 Å²	84.3	60%	0.596	42%	0.417	S	S	*	.			trans	-71.4	114.5	179	-62.2	179.3	-175.1	172.8	0	107.5	V225 R229	V225-K227 WeakPolarHBondContact O-CG 3.17Å; V225-K227 PolarHBondContact O-N 3.49Å; K227-R229 PolarHBondContact O-N 3.33Å
228	S	62.5	Low	70.1	Confident	58 Å²	58	86.5 Å²	86.5	41%	0.406	42%	0.421	S	S	.	.			trans	-59.4	135.5	163.9	172.9	0	0	0	0	108.5	K226 F230 I231	K226-S228 PolarHBondContact O-N 2.99Å; S228-F230 PolarHBondContact O-N 2.96Å; S228-I231 PolarHBondContact O-N 3.06Å
229	R	67	Low	71.4	Confident	238 Å²	238	85.7 Å²	85.7	90%	0.898	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-13.2	-168.9	-65	-175.9	-171.1	175.8	3.6	114.3	K227	K227-R229 PolarHBondContact O-N 3.33Å
230	F	77.2	Confident	72.3	Confident	158 Å²	158	82 Å²	82	69%	0.693	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.5	32.9	-176.7	-63.1	-74.3	0	0	0	113.5	S228	S228-F230 PolarHBondContact O-N 2.96Å
231	I	84.8	Confident	73.6	Confident	24 Å²	24	83.9 Å²	83.9	12%	0.123	42%	0.416	C	S	.	.			trans	-112.4	127.8	176.5	-62.9	-174.3	0	0	0	110.6	S228 T302 Y312	S228-I231 PolarHBondContact O-N 3.06Å; I231-T302 HydrophobicContact CG2-CG2 3.44Å; I231-T302 VanDerWaalsContact CG2-CG2 3.44Å; I231-Y312 WeakPolarHBondContact CD1-O 3.45Å
232	L	86.3	Confident	74.9	Confident	34 Å²	34	82.1 Å²	82.1	18%	0.178	41%	0.407	C	S	.	.	B	Isolated β-bridge	trans	-93.6	128.7	178	-157.5	106.7	0	0	0	110.4	F238 K239 R300 T301 T302	L232-F238 HydrophobicContact CD1-CD1 3.62Å; L232-F238 HydrophobicContact CD1-CE1 3.87Å; L232-F238 HydrophobicContact CD2-CD1 4.46Å; L232-K239 HydrophobicContact CD2-CB 3.53Å; L232-K239 HydrophobicContact CD2-CD 3.54Å; L232-K239 HydrophobicContact CD2-CG 3.77Å; L232-R300 PolarHBondContact N-O 3.24Å; L232-T301 WeakPolarHBondContact O-CA 3.16Å; L232-T302 PolarHBondContact O-N 3.27Å
233	L	86.4	Confident	76.5	Confident	27 Å²	27	78.9 Å²	78.9	14%	0.141	39%	0.387	C	S	.	.			trans	-77.8	133.4	176.7	-81.6	60.3	0	0	0	110	Y235 S236	L233-Y235 HydrophobicContact CB-CD1 4.35Å; L233-Y235 HydrophobicContact CB-CE1 4.16Å; L233-Y235 HydrophobicContact CD2-CE1 3.89Å; L233-Y235 HydrophobicContact CD2-CE2 3.81Å; L233-Y235 WeakPolarHBondContact CD2-OH 3.21Å; L233-Y235 HydrophobicContact CG-CE1 4.11Å; L233-Y235 PolarHBondContact O-N 3.48Å; L233-S236 WeakPolarHBondContact O-CB 3.41Å; L233-S236 PolarHBondContact O-N 3.38Å
234	H	86.1	Confident	78.2	Confident	16 Å²	16	83.6 Å²	83.6	7%	0.074	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-24.7	179.4	64.2	-85.7	0	0	0	114	T301 T302 R372	H234-T301 HydrophobicContact CB-CG2 4.15Å; H234-T302 WeakPolarHBondContact CB-O 3.25Å; H234-T302 PolarHBondContact N-OG1 2.67Å; H234-T302 PolarHBondContact ND1-OG1 2.92Å; H234-R372 PolarHBondContact O-NH2 3.42Å
235	Y	83.3	Confident	80.1	Confident	74 Å²	74	83.2 Å²	83.2	29%	0.29	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	7.5	176.6	63.2	-92	0	0	0	113.6	L8 L233	L8-Y235 HydrophobicContact CD1-CD1 4.46Å; L8-Y235 HydrophobicContact CD1-CE1 3.76Å; L8-Y235 HydrophobicContact CD1-CE2 4.26Å; L8-Y235 HydrophobicContact CD2-CE1 3.91Å; L8-Y235 WeakPolarHBondContact CD2-OH 3.28Å; L8-Y235 HydrophobicContact CG-CE1 4.45Å; L233-Y235 HydrophobicContact CB-CD1 4.35Å; L233-Y235 HydrophobicContact CB-CE1 4.16Å; L233-Y235 HydrophobicContact CD2-CE1 3.89Å; L233-Y235 HydrophobicContact CD2-CE2 3.81Å; L233-Y235 WeakPolarHBondContact CD2-OH 3.21Å; L233-Y235 HydrophobicContact CG-CE1 4.11Å; L233-Y235 PolarHBondContact O-N 3.48Å
236	S	86.4	Confident	81.7	Confident	41 Å²	41	79.6 Å²	79.6	29%	0.287	37%	0.368	S	S	.	.			trans	-64.9	145	175.7	-179	0	0	0	0	111.4	L233 F238 K239 A240	L233-S236 WeakPolarHBondContact O-CB 3.41Å; L233-S236 PolarHBondContact O-N 3.38Å; S236-F238 VanDerWaalsContact C-N 3.26Å; S236-F238 PolarHBondContact O-N 3.15Å; S236-F238 PolarHBondContact OG-N 3.24Å; S236-K239 WeakPolarHBondContact O-CB 3.49Å; S236-K239 PolarHBondContact O-N 2.61Å; S236-K239 VanDerWaalsContact O-N 3.14Å; S236-A240 PolarHBondContact O-N 2.86Å
237	I	87	Confident	83.3	Confident	136 Å²	136	71.6 Å²	71.6	70%	0.697	33%	0.334	S	S	*	.	H	α-helix	trans	-58.9	-41.7	174.2	-61.3	169	0	0	0	110.1	K239 A240 M241	I237-K239 VanDerWaalsContact C-N 3.34Å; I237-K239 PolarHBondContact O-N 2.87Å; I237-A240 WeakPolarHBondContact O-CB 3.28Å; I237-A240 PolarHBondContact O-N 3.48Å; I237-M241 HydrophobicContact CG2-SD 4.43Å; I237-M241 PolarHBondContact O-N 3.21Å
238	F	90.1	Very high	84.9	Confident	107 Å²	107	70.5 Å²	70.5	47%	0.469	33%	0.334	S	S	.	.	H	α-helix	trans	-59.2	-44.6	175.8	176.5	-90.7	0	0	0	111.6	L232 S236 A240 M241 W242	L232-F238 HydrophobicContact CD1-CD1 3.62Å; L232-F238 HydrophobicContact CD1-CE1 3.87Å; L232-F238 HydrophobicContact CD2-CD1 4.46Å; S236-F238 VanDerWaalsContact C-N 3.26Å; S236-F238 PolarHBondContact O-N 3.15Å; S236-F238 PolarHBondContact OG-N 3.24Å; F238-A240 VanDerWaalsContact C-N 3.31Å; F238-A240 PolarHBondContact O-N 3.29Å; F238-M241 PolarHBondContact O-N 2.88Å; F238-W242 HydrophobicContact CZ-CE3 4.31Å; F238-W242 WeakPolarHBondContact O-CB 3.4Å; F238-W242 PolarHBondContact O-N 2.79Å
239	K	87.8	Confident	86.2	Confident	16 Å²	16	68 Å²	68	7%	0.07	32%	0.317	C	S	.	.	H	α-helix	trans	-62.4	-40.9	176.7	-173.3	47	166	78.4	0	111.4	L232 S236 I237 W242 D243	L232-K239 HydrophobicContact CD2-CB 3.53Å; L232-K239 HydrophobicContact CD2-CD 3.54Å; L232-K239 HydrophobicContact CD2-CG 3.77Å; S236-K239 WeakPolarHBondContact O-CB 3.49Å; S236-K239 PolarHBondContact O-N 2.61Å; S236-K239 VanDerWaalsContact O-N 3.14Å; I237-K239 VanDerWaalsContact C-N 3.34Å; I237-K239 PolarHBondContact O-N 2.87Å; K239-W242 PolarHBondContact O-N 3.43Å; K239-D243 IonicContact NZ-OD1 3.97Å; K239-D243 PolarHBondContact NZ-OD1 3.43Å; K239-D243 IonicContact NZ-OD2 3.2Å; K239-D243 PolarHBondContact NZ-OD2 3.31Å; K239-D243 WeakPolarHBondContact O-CB 3.24Å; K239-D243 VanDerWaalsContact O-CG 3.31Å; K239-D243 PolarHBondContact O-N 2.94Å
240	A	86	Confident	87.3	Confident	30 Å²	30	56.9 Å²	56.9	25%	0.248	28%	0.276	C	S	.	.	H	α-helix	trans	-62.5	-45.3	177.4	0	0	0	0	0	111.7	S236 I237 F238 D243 W244	S236-A240 PolarHBondContact O-N 2.86Å; I237-A240 WeakPolarHBondContact O-CB 3.28Å; I237-A240 PolarHBondContact O-N 3.48Å; F238-A240 VanDerWaalsContact C-N 3.31Å; F238-A240 PolarHBondContact O-N 3.29Å; A240-D243 PolarHBondContact O-N 3.36Å; A240-W244 PolarHBondContact O-N 3.02Å; A240-W244 VanDerWaalsContact O-N 3.14Å
241	M	89.2	Confident	87.9	Confident	131 Å²	131	53.4 Å²	53.4	65%	0.645	26%	0.26	S	S	*	.	H	α-helix	trans	-63.4	-42.6	175.4	-70.6	-178.3	66.6	0	0	112.1	I237 F238 D243 W244 L245	I237-M241 HydrophobicContact CG2-SD 4.43Å; I237-M241 PolarHBondContact O-N 3.21Å; F238-M241 PolarHBondContact O-N 2.88Å; M241-D243 VanDerWaalsContact C-N 3.3Å; M241-D243 PolarHBondContact O-N 2.93Å; M241-W244 WeakPolarHBondContact O-CB 3.39Å; M241-W244 PolarHBondContact O-N 3.27Å; M241-L245 PolarHBondContact O-N 2.92Å
242	W	90.8	Very high	88.2	Confident	40 Å²	40	55.3 Å²	55.3	15%	0.152	27%	0.266	C	S	.	.	H	α-helix	trans	-59.6	-42.5	174.4	-173.1	-93.3	0	0	0	111.5	F238 K239 W244 L245 I246 L290 A293 D294 L297	F238-W242 HydrophobicContact CZ-CE3 4.31Å; F238-W242 WeakPolarHBondContact O-CB 3.4Å; F238-W242 PolarHBondContact O-N 2.79Å; K239-W242 PolarHBondContact O-N 3.43Å; W242-W244 VanDerWaalsContact C-N 3.29Å; W242-W244 PolarHBondContact O-N 3.27Å; W242-L245 HydrophobicContact CE3-CD2 4.32Å; W242-L245 HydrophobicContact CZ3-CD2 4.28Å; W242-L245 WeakPolarHBondContact O-CB 3.32Å; W242-L245 PolarHBondContact O-N 3.07Å; W242-L245 VanDerWaalsContact O-N 3.11Å; W242-I246 HydrophobicContact CZ2-CD1 4.27Å; W242-I246 WeakPolarHBondContact O-CG1 3.36Å; W242-I246 PolarHBondContact O-N 3.25Å; W242-L290 HydrophobicContact CH2-CD2 4Å; W242-A293 HydrophobicContact CH2-CB 4.02Å; W242-A293 HydrophobicContact CZ2-CB 3.95Å; W242-D294 PolarHBondContact NE1-OD1 3.11Å; W242-L297 HydrophobicContact CD2-CD1 3.72Å; W242-L297 HydrophobicContact CE3-CD1 4.23Å; W242-L297 HydrophobicContact CG-CD1 4.21Å; W242-L297 HydrophobicContact CH2-CD1 4.1Å; W242-L297 HydrophobicContact CZ2-CD1 3.58Å; W242-L297 HydrophobicContact CZ3-CD1 4.4Å
243	D	87.1	Confident	88.3	Confident	4 Å²	4	53.9 Å²	53.9	2%	0.021	26%	0.259	C	S	.	.	H	α-helix	trans	-62.8	-35	177.9	-79.3	-30.7	0	0	0	113.4	K239 A240 M241 L247 K369	K239-D243 IonicContact NZ-OD1 3.97Å; K239-D243 PolarHBondContact NZ-OD1 3.43Å; K239-D243 IonicContact NZ-OD2 3.2Å; K239-D243 PolarHBondContact NZ-OD2 3.31Å; K239-D243 WeakPolarHBondContact O-CB 3.24Å; K239-D243 VanDerWaalsContact O-CG 3.31Å; K239-D243 PolarHBondContact O-N 2.94Å; A240-D243 PolarHBondContact O-N 3.36Å; M241-D243 VanDerWaalsContact C-N 3.3Å; M241-D243 PolarHBondContact O-N 2.93Å; D243-L247 WeakPolarHBondContact O-CB 3.45Å; D243-L247 PolarHBondContact O-N 3.06Å; D243-K369 HydrophobicContact CB-CD 4.35Å; D243-K369 PolarHBondContact O-NZ 3.03Å; D243-K369 VanDerWaalsContact O-NZ 3.15Å; D243-K369 WeakPolarHBondContact OD1-CE 3.47Å; D243-K369 IonicContact OD1-NZ 2.76Å; D243-K369 PolarHBondContact OD1-NZ 3.22Å
244	W	87.6	Confident	88.4	Confident	132 Å²	132	52.7 Å²	52.7	50%	0.5	25%	0.253	S	S	.	.	H	α-helix	trans	-68.4	-40.1	171.5	-79.7	110.6	0	0	0	112.6	A240 M241 W242 L247 L248 Y373 V379	A240-W244 PolarHBondContact O-N 3.02Å; A240-W244 VanDerWaalsContact O-N 3.14Å; M241-W244 WeakPolarHBondContact O-CB 3.39Å; M241-W244 PolarHBondContact O-N 3.27Å; W242-W244 VanDerWaalsContact C-N 3.29Å; W242-W244 PolarHBondContact O-N 3.27Å; W244-L247 HydrophobicContact CE3-CD2 3.71Å; W244-L247 HydrophobicContact CZ3-CD2 3.64Å; W244-L247 WeakPolarHBondContact O-CB 3.5Å; W244-L247 PolarHBondContact O-N 2.91Å; W244-L248 PolarHBondContact O-N 3.29Å; W244-Y373 HydrophobicContact CH2-CD1 4.45Å; W244-Y373 HydrophobicContact CH2-CE1 4.03Å; W244-Y373 HydrophobicContact CZ2-CD1 4.27Å; W244-Y373 AromaticContact CZ2-CE1 3.72Å; W244-Y373 HydrophobicContact CZ2-CE1 3.72Å; W244-V379 HydrophobicContact CH2-CG1 4.28Å
245	L	91.1	Very high	88.7	Confident	71 Å²	71	54 Å²	54	37%	0.372	26%	0.262	S	S	.	.	H	α-helix	trans	-62.6	-44.8	175.3	-178.2	64.7	0	0	0	111.2	M241 W242 L248 A249 L290	M241-L245 PolarHBondContact O-N 2.92Å; W242-L245 HydrophobicContact CE3-CD2 4.32Å; W242-L245 HydrophobicContact CZ3-CD2 4.28Å; W242-L245 WeakPolarHBondContact O-CB 3.32Å; W242-L245 PolarHBondContact O-N 3.07Å; W242-L245 VanDerWaalsContact O-N 3.11Å; L245-L248 PolarHBondContact O-N 3.4Å; L245-A249 PolarHBondContact O-N 3.06Å; L245-L290 HydrophobicContact CD2-CD2 3.93Å
246	I	89.8	Confident	88.9	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-64.5	-40.7	175.5	-64.1	-60.3	0	0	0	111	W242 L248 A249 T250 L290 F291 D294	W242-I246 HydrophobicContact CZ2-CD1 4.27Å; W242-I246 WeakPolarHBondContact O-CG1 3.36Å; W242-I246 PolarHBondContact O-N 3.25Å; I246-L248 VanDerWaalsContact C-N 3.35Å; I246-L248 PolarHBondContact O-N 2.95Å; I246-A249 PolarHBondContact O-N 3.15Å; I246-T250 HydrophobicContact CG2-CG2 4.43Å; I246-T250 WeakPolarHBondContact O-CG2 3.3Å; I246-T250 PolarHBondContact O-N 2.7Å; I246-T250 PolarHBondContact O-OG1 3.4Å; I246-L290 HydrophobicContact CD1-CB 4.46Å; I246-F291 HydrophobicContact CG2-CD1 4.49Å; I246-F291 HydrophobicContact CG2-CE1 3.98Å; I246-D294 HydrophobicContact CD1-CB 3.79Å; I246-D294 HydrophobicContact CG1-CB 4.28Å
247	L	86.9	Confident	88.8	Confident	28 Å²	28	50 Å²	50	15%	0.147	24%	0.244	C	C	.	.	H	α-helix	trans	-57.9	-47.2	174.3	175.6	61.3	0	0	0	111.4	D243 W244 A249 T250 F251 L366 Y373	D243-L247 WeakPolarHBondContact O-CB 3.45Å; D243-L247 PolarHBondContact O-N 3.06Å; W244-L247 HydrophobicContact CE3-CD2 3.71Å; W244-L247 HydrophobicContact CZ3-CD2 3.64Å; W244-L247 WeakPolarHBondContact O-CB 3.5Å; W244-L247 PolarHBondContact O-N 2.91Å; L247-A249 VanDerWaalsContact C-N 3.35Å; L247-A249 PolarHBondContact O-N 2.92Å; L247-T250 WeakPolarHBondContact CA-OG1 3.34Å; L247-T250 PolarHBondContact O-N 3.26Å; L247-T250 PolarHBondContact O-OG1 3.14Å; L247-F251 PolarHBondContact O-N 3.07Å; L247-L366 HydrophobicContact CD1-CD2 3.07Å; L247-Y373 HydrophobicContact CD2-CE2 4.13Å
248	L	89.8	Confident	88.9	Confident	115 Å²	115	44.2 Å²	44.2	60%	0.602	22%	0.215	S	C	*	.	H	α-helix	trans	-61.4	-42.9	176.8	-178.3	62.8	0	0	0	111.8	W244 L245 I246 T250 F251 Y252	W244-L248 PolarHBondContact O-N 3.29Å; L245-L248 PolarHBondContact O-N 3.4Å; I246-L248 VanDerWaalsContact C-N 3.35Å; I246-L248 PolarHBondContact O-N 2.95Å; L248-T250 PolarHBondContact O-N 2.91Å; L248-F251 PolarHBondContact O-N 2.9Å; L248-Y252 PolarHBondContact O-N 3.44Å
249	A	90.2	Very high	88.9	Confident	6 Å²	6	42 Å²	42	5%	0.05	21%	0.205	C	C	.	.	H	α-helix	trans	-62.6	-39.5	175.1	0	0	0	0	0	112.2	L245 I246 L247 Y252 V253 V287 F291	L245-A249 PolarHBondContact O-N 3.06Å; I246-A249 PolarHBondContact O-N 3.15Å; L247-A249 VanDerWaalsContact C-N 3.35Å; L247-A249 PolarHBondContact O-N 2.92Å; A249-Y252 PolarHBondContact O-N 3.35Å; A249-V253 VanDerWaalsContact O-CG2 3.29Å; A249-V253 WeakPolarHBondContact O-CG2 3.4Å; A249-V253 PolarHBondContact O-N 2.87Å; A249-V253 VanDerWaalsContact O-N 3.11Å; A249-V287 HydrophobicContact CB-CG1 4.26Å; A249-F291 HydrophobicContact CB-CE2 4.25Å; A249-F291 HydrophobicContact CB-CZ 3.9Å
250	T	89	Confident	88.6	Confident	4 Å²	4	43.1 Å²	43.1	3%	0.025	21%	0.212	C	C	.	.	H	α-helix	trans	-65.6	-38.8	174.6	57.5	0	0	0	0	112.4	I246 L247 L248 V253 A254 F291 R362	I246-T250 HydrophobicContact CG2-CG2 4.43Å; I246-T250 WeakPolarHBondContact O-CG2 3.3Å; I246-T250 PolarHBondContact O-N 2.7Å; I246-T250 PolarHBondContact O-OG1 3.4Å; L247-T250 WeakPolarHBondContact CA-OG1 3.34Å; L247-T250 PolarHBondContact O-N 3.26Å; L247-T250 PolarHBondContact O-OG1 3.14Å; L248-T250 PolarHBondContact O-N 2.91Å; T250-V253 PolarHBondContact O-N 2.73Å; T250-A254 WeakPolarHBondContact O-CB 3.37Å; T250-A254 PolarHBondContact O-N 2.75Å; T250-F291 HydrophobicContact CG2-CE1 3.66Å; T250-F291 HydrophobicContact CG2-CZ 3.69Å; T250-R362 HydrophobicContact CG2-CB 4.08Å
251	F	89.9	Confident	88.4	Confident	84 Å²	84	43 Å²	43	37%	0.368	21%	0.208	S	C	.	.	H	α-helix	trans	-64.7	-43.4	176	-175	-96.3	0	0	0	111.5	L247 L248 V253 A254 V255 L390	L247-F251 PolarHBondContact O-N 3.07Å; L248-F251 PolarHBondContact O-N 2.9Å; F251-V253 PolarHBondContact O-N 3.14Å; F251-A254 PolarHBondContact O-N 3.46Å; F251-V255 HydrophobicContact CE1-CG2 4.14Å; F251-V255 HydrophobicContact CZ-CG2 4.28Å; F251-V255 PolarHBondContact O-N 3.49Å; F251-L390 HydrophobicContact CD2-CD1 3.83Å; F251-L390 HydrophobicContact CD2-CD2 4.14Å; F251-L390 HydrophobicContact CD2-CG 4.16Å; F251-L390 HydrophobicContact CE2-CD1 3.82Å; F251-L390 HydrophobicContact CE2-CD2 3.75Å; F251-L390 HydrophobicContact CE2-CG 3.67Å; F251-L390 HydrophobicContact CZ-CD2 4.26Å; F251-L390 HydrophobicContact CZ-CG 4.49Å
252	Y	90.7	Very high	88.1	Confident	64 Å²	64	37.2 Å²	37.2	25%	0.251	18%	0.181	S	C	.	.	H	α-helix	trans	-54.5	-51.6	173.6	172.8	-95.5	0	0	0	111.4	L248 A249 A254 V255 T256 S283 D284 V287	L248-Y252 PolarHBondContact O-N 3.44Å; A249-Y252 PolarHBondContact O-N 3.35Å; Y252-A254 VanDerWaalsContact C-N 3.31Å; Y252-A254 PolarHBondContact O-N 2.95Å; Y252-V255 PolarHBondContact O-N 3.39Å; Y252-V255 VanDerWaalsContact O-N 3.13Å; Y252-T256 HydrophobicContact CD1-CG2 4.39Å; Y252-T256 HydrophobicContact CD2-CG2 3.87Å; Y252-T256 HydrophobicContact CE1-CG2 4.04Å; Y252-T256 HydrophobicContact CE2-CG2 3.48Å; Y252-T256 VanDerWaalsContact CE2-CG2 3.48Å; Y252-T256 HydrophobicContact CG-CG2 4.32Å; Y252-T256 PolarHBondContact O-N 3.18Å; Y252-T256 PolarHBondContact O-OG1 3.5Å; Y252-T256 VanDerWaalsContact O-OG1 3.1Å; Y252-S283 WeakPolarHBondContact OH-CB 3.25Å; Y252-S283 PolarHBondContact OH-OG 3.38Å; Y252-D284 WeakPolarHBondContact CE1-OD1 3.5Å; Y252-D284 PolarHBondContact OH-OD1 3.07Å; Y252-V287 HydrophobicContact CD1-CG2 3.89Å; Y252-V287 HydrophobicContact CE1-CG2 4.14Å
253	V	88.7	Confident	87.7	Confident	5 Å²	5	35.5 Å²	35.5	3%	0.03	17%	0.174	C	C	.	.	H	α-helix	trans	-60.7	-40.2	179.3	174.6	0	0	0	0	111.9	A249 T250 F251 V255 V257 V287 F291 R359	A249-V253 VanDerWaalsContact O-CG2 3.29Å; A249-V253 WeakPolarHBondContact O-CG2 3.4Å; A249-V253 PolarHBondContact O-N 2.87Å; A249-V253 VanDerWaalsContact O-N 3.11Å; T250-V253 PolarHBondContact O-N 2.73Å; F251-V253 PolarHBondContact O-N 3.14Å; V253-V255 PolarHBondContact O-N 3.36Å; V253-V257 HydrophobicContact CG1-CG2 3.66Å; V253-V257 VanDerWaalsContact O-CB 3.3Å; V253-V257 WeakPolarHBondContact O-CB 3.27Å; V253-V257 WeakPolarHBondContact O-CG2 3.48Å; V253-V257 PolarHBondContact O-N 3.36Å; V253-V287 HydrophobicContact CG2-CG1 3.66Å; V253-F291 HydrophobicContact CG2-CE2 4.04Å; V253-R359 HydrophobicContact CG1-CB 3.79Å
254	A	90.1	Very high	87	Confident	1 Å²	1	37.9 Å²	37.9	1%	0.008	19%	0.189	C	C	.	.	H	α-helix	trans	-64.6	-23.6	179.9	0	0	0	0	0	113.4	T250 F251 Y252 P258 L363 L390 W394	T250-A254 WeakPolarHBondContact O-CB 3.37Å; T250-A254 PolarHBondContact O-N 2.75Å; F251-A254 PolarHBondContact O-N 3.46Å; Y252-A254 VanDerWaalsContact C-N 3.31Å; Y252-A254 PolarHBondContact O-N 2.95Å; A254-P258 WeakPolarHBondContact O-CD 3.39Å; A254-P258 WeakPolarHBondContact O-CG 3.32Å; A254-L363 HydrophobicContact CB-CD1 4.15Å; A254-L363 HydrophobicContact CB-CD2 4.07Å; A254-L363 HydrophobicContact CB-CG 4.46Å; A254-L390 HydrophobicContact CB-CD1 4.21Å; A254-L390 HydrophobicContact CB-CD2 3.89Å; A254-W394 HydrophobicContact CB-CZ2 4.39Å; A254-W394 PolarHBondContact O-NE1 2.94Å
255	V	91.1	Very high	85.8	Confident	45 Å²	45	33.2 Å²	33.2	27%	0.273	18%	0.176	S	C	.	.	H	α-helix	trans	-92.6	-48.6	174.5	177.8	0	0	0	0	111.2	F251 Y252 V253 F259 L390 H393	F251-V255 HydrophobicContact CE1-CG2 4.14Å; F251-V255 HydrophobicContact CZ-CG2 4.28Å; F251-V255 PolarHBondContact O-N 3.49Å; Y252-V255 PolarHBondContact O-N 3.39Å; Y252-V255 VanDerWaalsContact O-N 3.13Å; V253-V255 PolarHBondContact O-N 3.36Å; V255-F259 WeakPolarHBondContact O-CB 3.28Å; V255-F259 PolarHBondContact O-N 3.47Å; V255-L390 HydrophobicContact CG2-CD2 3.52Å; V255-H393 PolarHBondContact O-NE2 3.25Å
256	T	87.1	Confident	84.1	Confident	24 Å²	24	34.5 Å²	34.5	15%	0.147	18%	0.18	C	C	.	.	H	α-helix	trans	-75	-34.1	-171.3	58.7	0	0	0	0	113.4	Y252 F259 N260	Y252-T256 HydrophobicContact CD1-CG2 4.39Å; Y252-T256 HydrophobicContact CD2-CG2 3.87Å; Y252-T256 HydrophobicContact CE1-CG2 4.04Å; Y252-T256 HydrophobicContact CE2-CG2 3.48Å; Y252-T256 VanDerWaalsContact CE2-CG2 3.48Å; Y252-T256 HydrophobicContact CG-CG2 4.32Å; Y252-T256 PolarHBondContact O-N 3.18Å; Y252-T256 PolarHBondContact O-OG1 3.5Å; Y252-T256 VanDerWaalsContact O-OG1 3.1Å; T256-F259 PolarHBondContact O-N 2.89Å; T256-N260 VanDerWaalsContact O-CB 3.29Å; T256-N260 WeakPolarHBondContact O-CB 3.16Å; T256-N260 PolarHBondContact O-N 3.46Å; T256-N260 PolarHBondContact O-ND2 3.04Å
257	V	85.8	Confident	82.3	Confident	6 Å²	6	36.6 Å²	36.6	4%	0.036	20%	0.195	C	C	.	.	H	α-helix	trans	-65.8	-53.7	-177.8	170.7	0	0	0	0	112.1	V253 F259 N260 V261 K356 R359	V253-V257 HydrophobicContact CG1-CG2 3.66Å; V253-V257 VanDerWaalsContact O-CB 3.3Å; V253-V257 WeakPolarHBondContact O-CB 3.27Å; V253-V257 WeakPolarHBondContact O-CG2 3.48Å; V253-V257 PolarHBondContact O-N 3.36Å; V257-F259 VanDerWaalsContact C-N 3.3Å; V257-F259 PolarHBondContact O-N 2.9Å; V257-N260 PolarHBondContact O-N 3.4Å; V257-V261 HydrophobicContact CG1-CG2 4.47Å; V257-V261 VanDerWaalsContact O-CG2 3.31Å; V257-V261 WeakPolarHBondContact O-CG2 3.49Å; V257-V261 PolarHBondContact O-N 3.41Å; V257-K356 HydrophobicContact CG1-CB 4.4Å; V257-K356 WeakPolarHBondContact CG1-O 3.27Å; V257-R359 HydrophobicContact CG2-CB 4.21Å
258	P	89.3	Confident	80.5	Confident	15 Å²	15	45 Å²	45	10%	0.097	23%	0.234	C	C	.	.	H	α-helix	trans	-60.5	-40.6	176.6	-23.8	35.9	0	0	0	112.2	A254 N260 V261 C262 L360 C397	A254-P258 WeakPolarHBondContact O-CD 3.39Å; A254-P258 WeakPolarHBondContact O-CG 3.32Å; P258-N260 PolarHBondContact O-N 3.15Å; P258-V261 PolarHBondContact O-N 3.39Å; P258-C262 WeakPolarHBondContact O-CB 3.4Å; P258-C262 PolarHBondContact O-N 3.5Å; P258-C262 PolarHBondContact O-SG 2.96Å; P258-L360 HydrophobicContact CG-CD2 4.31Å; P258-C397 HydrophobicContact CB-CB 4.29Å
259	F	88.4	Confident	78.3	Confident	59 Å²	59	42.4 Å²	42.4	26%	0.259	23%	0.234	S	C	.	.	H	α-helix	trans	-58.1	-50.4	176.3	-178.8	-95.5	0	0	0	112.2	V255 T256 V257 V261 C262 F263 V264 Y445	V255-F259 WeakPolarHBondContact O-CB 3.28Å; V255-F259 PolarHBondContact O-N 3.47Å; T256-F259 PolarHBondContact O-N 2.89Å; V257-F259 VanDerWaalsContact C-N 3.3Å; V257-F259 PolarHBondContact O-N 2.9Å; F259-V261 PolarHBondContact O-N 2.88Å; F259-C262 PolarHBondContact O-N 3.38Å; F259-F263 HydrophobicContact CD2-CB 4.49Å; F259-F263 AromaticContact CD2-CD2 3.74Å; F259-F263 HydrophobicContact CD2-CD2 3.74Å; F259-F263 HydrophobicContact CD2-CE2 4.32Å; F259-F263 HydrophobicContact CD2-CG 4.28Å; F259-F263 HydrophobicContact CE2-CB 4.2Å; F259-F263 AromaticContact CE2-CD2 3.99Å; F259-F263 HydrophobicContact CE2-CD2 3.99Å; F259-F263 HydrophobicContact CE2-CG 4.08Å; F259-F263 HydrophobicContact CG-CD2 4.42Å; F259-F263 HydrophobicContact CZ-CB 4.28Å; F259-F263 WeakPolarHBondContact O-CB 3.29Å; F259-F263 PolarHBondContact O-N 3.45Å; F259-V264 HydrophobicContact CE1-CG2 4.21Å; F259-Y445 AromaticContact CD2-CD2 3.97Å; F259-Y445 HydrophobicContact CD2-CD2 3.97Å; F259-Y445 HydrophobicContact CD2-CE2 4.05Å; F259-Y445 HydrophobicContact CD2-CG 4.5Å; F259-Y445 AromaticContact CE2-CD2 3.97Å; F259-Y445 HydrophobicContact CE2-CD2 3.97Å; F259-Y445 HydrophobicContact CE2-CE2 4.41Å; F259-Y445 HydrophobicContact CE2-CG 4.07Å
260	N	82.6	Confident	75.9	Confident	41 Å²	41	44.8 Å²	44.8	22%	0.219	26%	0.259	C	S	.	.	I	π-helix	trans	-64.1	-40.2	-179.2	-72.7	-17.4	0	0	0	112.1	T256 V257 P258 V264 S265	T256-N260 VanDerWaalsContact O-CB 3.29Å; T256-N260 WeakPolarHBondContact O-CB 3.16Å; T256-N260 PolarHBondContact O-N 3.46Å; T256-N260 PolarHBondContact O-ND2 3.04Å; V257-N260 PolarHBondContact O-N 3.4Å; P258-N260 PolarHBondContact O-N 3.15Å; N260-V264 WeakPolarHBondContact O-CB 3.25Å; N260-V264 PolarHBondContact O-N 3.42Å; N260-S265 PolarHBondContact O-N 2.98Å
261	V	81.7	Confident	73.7	Confident	27 Å²	27	51.9 Å²	51.9	16%	0.164	30%	0.297	C	S	.	.	I	π-helix	trans	-65.5	-42.7	177.8	172.8	0	0	0	0	111.2	V257 P258 F259 S265 H353 K356 T357	V257-V261 HydrophobicContact CG1-CG2 4.47Å; V257-V261 VanDerWaalsContact O-CG2 3.31Å; V257-V261 WeakPolarHBondContact O-CG2 3.49Å; V257-V261 PolarHBondContact O-N 3.41Å; P258-V261 PolarHBondContact O-N 3.39Å; F259-V261 PolarHBondContact O-N 2.88Å; V261-S265 WeakPolarHBondContact O-CB 3.31Å; V261-H353 WeakPolarHBondContact CG2-O 3.35Å; V261-K356 HydrophobicContact CG2-CB 4.39Å; V261-T357 HydrophobicContact CG2-CG2 4.47Å
262	C	83.6	Confident	71.5	Confident	10 Å²	10	58.8 Å²	58.8	7%	0.068	32%	0.321	C	S	.	.	I	π-helix	trans	-84	-41.8	-173.2	-56.1	0	0	0	0	113.2	P258 F259 C397 Y400 I401	P258-C262 WeakPolarHBondContact O-CB 3.4Å; P258-C262 PolarHBondContact O-N 3.5Å; P258-C262 PolarHBondContact O-SG 2.96Å; F259-C262 PolarHBondContact O-N 3.38Å; C262-C397 HydrophobicContact CB-CB 4.28Å; C262-C397 VanDerWaalsContact SG-CB 3.55Å; C262-Y400 HydrophobicContact CB-CD1 4.37Å; C262-Y400 VanDerWaalsContact O-CE1 3.28Å; C262-Y400 WeakPolarHBondContact O-CE1 3.3Å; C262-I401 HydrophobicContact CB-CD1 4.13Å; C262-I401 HydrophobicContact CB-CG1 4.02Å; C262-I401 WeakPolarHBondContact SG-CD1 3.43Å
263	F	81.6	Confident	69.4	Low	3 Å²	3	59.5 Å²	59.5	1%	0.013	33%	0.329	C	S	.	.	I	π-helix	trans	-103.5	-29	-168.7	-69.1	-88.8	0	0	0	114	F259 Y400 I441 Y445	F259-F263 HydrophobicContact CD2-CB 4.49Å; F259-F263 AromaticContact CD2-CD2 3.74Å; F259-F263 HydrophobicContact CD2-CD2 3.74Å; F259-F263 HydrophobicContact CD2-CE2 4.32Å; F259-F263 HydrophobicContact CD2-CG 4.28Å; F259-F263 HydrophobicContact CE2-CB 4.2Å; F259-F263 AromaticContact CE2-CD2 3.99Å; F259-F263 HydrophobicContact CE2-CD2 3.99Å; F259-F263 HydrophobicContact CE2-CG 4.08Å; F259-F263 HydrophobicContact CG-CD2 4.42Å; F259-F263 HydrophobicContact CZ-CB 4.28Å; F259-F263 WeakPolarHBondContact O-CB 3.29Å; F259-F263 PolarHBondContact O-N 3.45Å; F263-Y400 AromaticContact CD1-CD1 3.72Å; F263-Y400 HydrophobicContact CD1-CD1 3.72Å; F263-Y400 HydrophobicContact CD1-CD2 4.25Å; F263-Y400 AromaticContact CD1-CE1 3.61Å; F263-Y400 HydrophobicContact CD1-CE1 3.61Å; F263-Y400 HydrophobicContact CD1-CE2 4.17Å; F263-Y400 HydrophobicContact CD1-CG 4.03Å; F263-Y400 AromaticContact CD1-CZ 3.84Å; F263-Y400 HydrophobicContact CD2-CD1 4.38Å; F263-Y400 AromaticContact CE1-CD1 3.54Å; F263-Y400 HydrophobicContact CE1-CD1 3.54Å; F263-Y400 AromaticContact CE1-CD2 3.52Å; F263-Y400 HydrophobicContact CE1-CD2 3.52Å; F263-Y400 AromaticContact CE1-CE1 3.83Å; F263-Y400 HydrophobicContact CE1-CE1 3.83Å; F263-Y400 AromaticContact CE1-CE2 3.83Å; F263-Y400 HydrophobicContact CE1-CE2 3.83Å; F263-Y400 AromaticContact CE1-CG 3.36Å; F263-Y400 HydrophobicContact CE1-CG 3.36Å; F263-Y400 AromaticContact CE1-CZ 3.96Å; F263-Y400 HydrophobicContact CE2-CD1 4.21Å; F263-Y400 HydrophobicContact CE2-CG 4.29Å; F263-Y400 HydrophobicContact CG-CD1 4.15Å; F263-Y400 HydrophobicContact CG-CE1 4.15Å; F263-Y400 AromaticContact CZ-CD1 3.79Å; F263-Y400 HydrophobicContact CZ-CD1 3.79Å; F263-Y400 HydrophobicContact CZ-CD2 4.04Å; F263-Y400 AromaticContact CZ-CG 3.5Å; F263-Y400 HydrophobicContact CZ-CG 3.5Å; F263-I441 HydrophobicContact CB-CG2 4.05Å; F263-I441 HydrophobicContact CD1-CG2 4Å; F263-I441 HydrophobicContact CG-CG2 4.39Å; F263-Y445 HydrophobicContact CD2-CD2 4.44Å; F263-Y445 HydrophobicContact CE1-CD2 4.45Å; F263-Y445 AromaticContact CE2-CD2 3.74Å; F263-Y445 HydrophobicContact CE2-CD2 3.74Å; F263-Y445 AromaticContact CZ-CD2 3.75Å; F263-Y445 HydrophobicContact CZ-CD2 3.75Å; F263-Y445 HydrophobicContact CZ-CG 4.39Å
264	V	72.1	Confident	67.5	Low	54 Å²	54	62.8 Å²	62.8	33%	0.327	35%	0.351	S	S	.	.	I	π-helix	trans	-96.5	-33.9	-173.9	-178.1	0	0	0	0	112.1	F259 N260 H266 S267	F259-V264 HydrophobicContact CE1-CG2 4.21Å; N260-V264 WeakPolarHBondContact O-CB 3.25Å; N260-V264 PolarHBondContact O-N 3.42Å; V264-H266 PolarHBondContact O-N 3.43Å; V264-S267 PolarHBondContact O-N 2.92Å
265	S	62.3	Low	65.4	Low	35 Å²	35	68.7 Å²	68.7	25%	0.245	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-11.3	-177.9	-168.8	0	0	0	0	115.2	N260 V261 H353	N260-S265 PolarHBondContact O-N 2.98Å; V261-S265 WeakPolarHBondContact O-CB 3.31Å; S265-H353 PolarHBondContact OG-CD2 3.44Å; S265-H353 VanDerWaalsContact OG-CD2 3.25Å
266	H	56.3	Low	63.3	Low	98 Å²	98	71.1 Å²	71.1	45%	0.454	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.1	14.9	-174.3	-71.4	2.8	0	0	0	113.5	V264 E408	V264-H266 PolarHBondContact O-N 3.43Å; H266-E408 IonicContact CD2-OE1 3.97Å
267	S	52.2	Low	61.6	Low	44 Å²	44	72.8 Å²	72.8	31%	0.308	41%	0.407	S	S	.	.			trans	-100.4	82.4	176.5	148.2	0	0	0	0	109.7	V264 G269	V264-S267 PolarHBondContact O-N 2.92Å; S267-G269 PolarHBondContact O-N 3.39Å
268	E	48.4	Very low	60	Low	206 Å²	206	80 Å²	80	96%	0.963	43%	0.434	S	S	*	.			trans	-79.3	21.1	175.7	-71.7	-163.8	149.7	0	0	114.7
269	G	43.9	Very low	58.3	Low	60 Å²	60	82.7 Å²	82.7	62%	0.619	45%	0.453	S	S	*	.			trans	-143.6	111.5	-174.2	0	0	0	0	0	117	S267	S267-G269 PolarHBondContact O-N 3.39Å
270	G	39.8	Very low	57.2	Low	55 Å²	55	81.8 Å²	81.8	57%	0.567	45%	0.453	S	S	*	.			trans	107.5	136.9	146.9	0	0	0	0	0	117.8	R272 L273	G270-R272 PolarHBondContact O-N 3.44Å; G270-L273 WeakPolarHBondContact O-CB 3.39Å; G270-L273 PolarHBondContact O-N 3.32Å
271	D	42.2	Very low	56.5	Low	154 Å²	154	82.9 Å²	82.9	82%	0.824	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-42.9	-11.7	-172.3	-68.1	-42	0	0	0	119.5	L273 S274	D271-L273 PolarHBondContact O-N 3.29Å; D271-S274 PolarHBondContact O-N 3.49Å; D271-S274 PolarHBondContact O-OG 3.21Å
272	R	43.3	Very low	56.4	Low	228 Å²	228	89.2 Å²	89.2	86%	0.86	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-18.1	169.7	-71.5	-173.3	169	-172	-2.5	113.2	G270 S274	G270-R272 PolarHBondContact O-N 3.44Å; R272-S274 VanDerWaalsContact C-N 3.31Å; R272-S274 PolarHBondContact O-N 3.24Å
273	L	46.5	Very low	56.3	Low	80 Å²	80	90.7 Å²	90.7	42%	0.419	49%	0.492	S	S	.	.	H	α-helix	trans	-56.6	-42.1	171.5	-173.7	65.9	0	0	0	111.4	G270 D271 L275 T277	G270-L273 WeakPolarHBondContact O-CB 3.39Å; G270-L273 PolarHBondContact O-N 3.32Å; D271-L273 PolarHBondContact O-N 3.29Å; L273-L275 PolarHBondContact O-N 3.36Å; L273-T277 WeakPolarHBondContact O-CB 3.37Å; L273-T277 PolarHBondContact O-N 3.22Å; L273-T277 VanDerWaalsContact O-N 3.08Å; L273-T277 PolarHBondContact O-OG1 2.84Å
274	S	49.1	Very low	56.3	Low	73 Å²	73	91.5 Å²	91.5	51%	0.51	50%	0.497	S	S	.	.	H	α-helix	trans	-66	-30.8	-172.1	67.9	0	0	0	0	115.1	D271 R272 R278	D271-S274 PolarHBondContact O-N 3.49Å; D271-S274 PolarHBondContact O-OG 3.21Å; R272-S274 VanDerWaalsContact C-N 3.31Å; R272-S274 PolarHBondContact O-N 3.24Å; S274-R278 VanDerWaalsContact O-CB 3.29Å; S274-R278 WeakPolarHBondContact O-CB 3.38Å; S274-R278 PolarHBondContact O-N 3Å
275	L	45.7	Very low	56.8	Low	125 Å²	125	93 Å²	93	65%	0.654	50%	0.502	S	S	*	.	H	α-helix	trans	-87.5	-41.7	-175.2	-84.5	164.5	0	0	0	113.4	L273 R278 S279	L273-L275 PolarHBondContact O-N 3.36Å; L275-R278 PolarHBondContact O-N 3.04Å; L275-S279 PolarHBondContact O-N 3.37Å; L275-S279 PolarHBondContact O-OG 3.05Å
276	V	47.5	Very low	58	Low	97 Å²	97	93.8 Å²	93.8	59%	0.588	51%	0.511	S	S	*	.	H	α-helix	trans	-71.5	-40.2	176.5	178.7	0	0	0	0	110	R278 S279 T280	V276-R278 VanDerWaalsContact C-N 3.34Å; V276-R278 PolarHBondContact O-N 3.29Å; V276-S279 PolarHBondContact O-N 3.35Å; V276-S279 PolarHBondContact O-OG 2.79Å; V276-T280 PolarHBondContact O-N 3.49Å; V276-T280 VanDerWaalsContact O-N 3.14Å; V276-T280 PolarHBondContact O-OG1 2.87Å
277	T	52.2	Low	59.5	Low	58 Å²	58	90 Å²	90	36%	0.356	49%	0.494	S	S	.	.	H	α-helix	trans	-67.3	-33.4	175.4	-46.1	0	0	0	0	111.5	L273 T280 T281	L273-T277 WeakPolarHBondContact O-CB 3.37Å; L273-T277 PolarHBondContact O-N 3.22Å; L273-T277 VanDerWaalsContact O-N 3.08Å; L273-T277 PolarHBondContact O-OG1 2.84Å; T277-T280 PolarHBondContact O-OG1 3.47Å; T277-T281 VanDerWaalsContact O-CB 3.31Å; T277-T281 WeakPolarHBondContact O-CB 3.22Å; T277-T281 PolarHBondContact O-N 3.09Å; T277-T281 VanDerWaalsContact O-N 3.12Å; T277-T281 PolarHBondContact O-OG1 3.03Å
278	R	50.6	Low	61.1	Low	157 Å²	157	88.6 Å²	88.6	59%	0.592	48%	0.483	S	S	*	.	H	α-helix	trans	-63.7	-48.5	173.6	-112.1	168.5	69.5	154.4	-1.8	112.5	S274 L275 V276 T281 W282	S274-R278 VanDerWaalsContact O-CB 3.29Å; S274-R278 WeakPolarHBondContact O-CB 3.38Å; S274-R278 PolarHBondContact O-N 3Å; L275-R278 PolarHBondContact O-N 3.04Å; V276-R278 VanDerWaalsContact C-N 3.34Å; V276-R278 PolarHBondContact O-N 3.29Å; R278-T281 PolarHBondContact O-N 3.12Å; R278-W282 HydrophobicContact CB-CH2 4.5Å; R278-W282 HydrophobicContact CB-CZ3 3.83Å; R278-W282 HydrophobicContact CG-CH2 4.02Å; R278-W282 HydrophobicContact CG-CZ3 3.85Å; R278-W282 WeakPolarHBondContact O-CZ3 3.19Å
279	S	55.3	Low	63	Low	73 Å²	73	84.3 Å²	84.3	51%	0.51	46%	0.464	S	S	.	.	H	α-helix	trans	-69.1	-37.3	-176.5	61.8	0	0	0	0	113.1	L275 V276	L275-S279 PolarHBondContact O-N 3.37Å; L275-S279 PolarHBondContact O-OG 3.05Å; V276-S279 PolarHBondContact O-N 3.35Å; V276-S279 PolarHBondContact O-OG 2.79Å
280	T	63.6	Low	65.3	Low	40 Å²	40	83.7 Å²	83.7	25%	0.245	45%	0.447	C	S	.	.	H	α-helix	trans	-72.4	-27	175.5	55.9	0	0	0	0	113.1	V276 T277 S283 D284	V276-T280 PolarHBondContact O-N 3.49Å; V276-T280 VanDerWaalsContact O-N 3.14Å; V276-T280 PolarHBondContact O-OG1 2.87Å; T277-T280 PolarHBondContact O-OG1 3.47Å; T280-S283 WeakPolarHBondContact CA-OG 3.49Å; T280-S283 PolarHBondContact O-N 2.92Å; T280-S283 PolarHBondContact O-OG 3.17Å; T280-D284 WeakPolarHBondContact O-CB 3.29Å; T280-D284 VanDerWaalsContact O-CG 3.28Å; T280-D284 PolarHBondContact O-N 2.84Å
281	T	69.3	Low	67.7	Low	64 Å²	64	81 Å²	81	39%	0.393	42%	0.42	S	S	.	.	H	α-helix	trans	-66.2	-40.5	178.2	-60.8	0	0	0	0	112	T277 R278 D284 I285	T277-T281 VanDerWaalsContact O-CB 3.31Å; T277-T281 WeakPolarHBondContact O-CB 3.22Å; T277-T281 PolarHBondContact O-N 3.09Å; T277-T281 VanDerWaalsContact O-N 3.12Å; T277-T281 PolarHBondContact O-OG1 3.03Å; R278-T281 PolarHBondContact O-N 3.12Å; T281-D284 PolarHBondContact O-N 3.3Å; T281-I285 HydrophobicContact CG2-CD1 3.81Å; T281-I285 HydrophobicContact CG2-CG1 4.43Å; T281-I285 WeakPolarHBondContact O-CD1 3.49Å; T281-I285 VanDerWaalsContact O-CG1 3.25Å; T281-I285 WeakPolarHBondContact O-CG1 3.45Å; T281-I285 PolarHBondContact O-N 3.35Å
282	W	79.3	Confident	69.9	Low	159 Å²	159	76.8 Å²	76.8	60%	0.602	40%	0.396	S	S	*	.	H	α-helix	trans	-66.4	-39.5	177.1	-82.2	-68.5	0	0	0	112.8	R278 A286	R278-W282 HydrophobicContact CB-CH2 4.5Å; R278-W282 HydrophobicContact CB-CZ3 3.83Å; R278-W282 HydrophobicContact CG-CH2 4.02Å; R278-W282 HydrophobicContact CG-CZ3 3.85Å; R278-W282 WeakPolarHBondContact O-CZ3 3.19Å; W282-A286 WeakPolarHBondContact O-CB 3.28Å; W282-A286 PolarHBondContact O-N 2.89Å
283	S	81.9	Confident	72.3	Confident	41 Å²	41	67.5 Å²	67.5	29%	0.287	37%	0.368	S	S	.	.	H	α-helix	trans	-67.4	-38.9	175.8	49.9	0	0	0	0	112.2	Y252 T280 A286 V287	Y252-S283 WeakPolarHBondContact OH-CB 3.25Å; Y252-S283 PolarHBondContact OH-OG 3.38Å; T280-S283 WeakPolarHBondContact CA-OG 3.49Å; T280-S283 PolarHBondContact O-N 2.92Å; T280-S283 PolarHBondContact O-OG 3.17Å; S283-A286 PolarHBondContact O-N 3.18Å; S283-V287 WeakPolarHBondContact O-CB 3.35Å; S283-V287 VanDerWaalsContact O-CG2 3.27Å; S283-V287 WeakPolarHBondContact O-CG2 3.47Å; S283-V287 PolarHBondContact O-N 3.26Å
284	D	81.1	Confident	74.4	Confident	20 Å²	20	63.9 Å²	63.9	11%	0.107	35%	0.349	C	S	.	.	H	α-helix	trans	-64	-45.4	176.5	-75.9	-13.6	0	0	0	111.4	Y252 T280 T281 A286 V287 E288	Y252-D284 WeakPolarHBondContact CE1-OD1 3.5Å; Y252-D284 PolarHBondContact OH-OD1 3.07Å; T280-D284 WeakPolarHBondContact O-CB 3.29Å; T280-D284 VanDerWaalsContact O-CG 3.28Å; T280-D284 PolarHBondContact O-N 2.84Å; T281-D284 PolarHBondContact O-N 3.3Å; D284-A286 PolarHBondContact O-N 2.97Å; D284-V287 PolarHBondContact O-N 2.97Å; D284-E288 WeakPolarHBondContact O-CG 3.31Å; D284-E288 PolarHBondContact O-N 2.9Å
285	I	82.7	Confident	76.4	Confident	85 Å²	85	61.2 Å²	61.2	44%	0.436	33%	0.329	S	S	.	.	H	α-helix	trans	-61.3	-44.4	175.4	-67.8	165.9	0	0	0	111	T281 V287 E288 M289	T281-I285 HydrophobicContact CG2-CD1 3.81Å; T281-I285 HydrophobicContact CG2-CG1 4.43Å; T281-I285 WeakPolarHBondContact O-CD1 3.49Å; T281-I285 VanDerWaalsContact O-CG1 3.25Å; T281-I285 WeakPolarHBondContact O-CG1 3.45Å; T281-I285 PolarHBondContact O-N 3.35Å; I285-V287 VanDerWaalsContact C-N 3.31Å; I285-V287 PolarHBondContact O-N 3.32Å; I285-E288 PolarHBondContact O-N 2.95Å; I285-M289 HydrophobicContact CG2-CG 4.46Å; I285-M289 WeakPolarHBondContact O-CG 3.15Å; I285-M289 PolarHBondContact O-N 3.48Å
286	A	86.6	Confident	78.6	Confident	53 Å²	53	60.5 Å²	60.5	44%	0.438	33%	0.325	S	S	.	.	H	α-helix	trans	-60.8	-42.3	178.8	0	0	0	0	0	111.8	W282 S283 D284 M289 L290	W282-A286 WeakPolarHBondContact O-CB 3.28Å; W282-A286 PolarHBondContact O-N 2.89Å; S283-A286 PolarHBondContact O-N 3.18Å; D284-A286 PolarHBondContact O-N 2.97Å; A286-M289 PolarHBondContact O-N 2.96Å; A286-L290 WeakPolarHBondContact O-CG 3.4Å; A286-L290 PolarHBondContact O-N 3.19Å
287	V	88.1	Confident	80.7	Confident	17 Å²	17	58 Å²	58	10%	0.103	31%	0.308	C	S	.	.	H	α-helix	trans	-66.2	-39.5	177.1	167.4	0	0	0	0	111.5	A249 Y252 V253 S283 D284 I285 L290 F291	A249-V287 HydrophobicContact CB-CG1 4.26Å; Y252-V287 HydrophobicContact CD1-CG2 3.89Å; Y252-V287 HydrophobicContact CE1-CG2 4.14Å; V253-V287 HydrophobicContact CG2-CG1 3.66Å; S283-V287 WeakPolarHBondContact O-CB 3.35Å; S283-V287 VanDerWaalsContact O-CG2 3.27Å; S283-V287 WeakPolarHBondContact O-CG2 3.47Å; S283-V287 PolarHBondContact O-N 3.26Å; D284-V287 PolarHBondContact O-N 2.97Å; I285-V287 VanDerWaalsContact C-N 3.31Å; I285-V287 PolarHBondContact O-N 3.32Å; V287-L290 WeakPolarHBondContact O-CB 3.31Å; V287-L290 PolarHBondContact O-N 3.05Å; V287-F291 HydrophobicContact CG1-CD2 3.83Å; V287-F291 HydrophobicContact CG1-CE2 3.33Å; V287-F291 HydrophobicContact CG1-CZ 4.37Å; V287-F291 WeakPolarHBondContact O-CD2 3.39Å; V287-F291 PolarHBondContact O-N 2.9Å; V287-F291 VanDerWaalsContact O-N 3.13Å
288	E	86.1	Confident	82.4	Confident	15 Å²	15	56.4 Å²	56.4	7%	0.07	30%	0.297	C	S	.	.	H	α-helix	trans	-61.7	-45.7	173.1	-72.9	-179	166.9	0	0	112.4	D284 I285 L290 F291 I292 P335 R359	D284-E288 WeakPolarHBondContact O-CG 3.31Å; D284-E288 PolarHBondContact O-N 2.9Å; I285-E288 PolarHBondContact O-N 2.95Å; E288-L290 VanDerWaalsContact C-N 3.29Å; E288-L290 PolarHBondContact O-N 2.76Å; E288-F291 PolarHBondContact O-N 2.83Å; E288-F291 VanDerWaalsContact O-N 3.12Å; E288-I292 WeakPolarHBondContact O-CG1 3.45Å; E288-I292 PolarHBondContact O-N 3.11Å; E288-P335 WeakPolarHBondContact OE2-CB 3.46Å; E288-R359 IonicContact OE1-CZ 3.49Å; E288-R359 IonicContact OE1-NE 2.77Å; E288-R359 IonicContact OE1-NH1 3.94Å; E288-R359 IonicContact OE1-NH2 3.62Å; E288-R359 PolarHBondContact OE1-NH2 2.95Å
289	M	88.8	Confident	84.4	Confident	116 Å²	116	51.4 Å²	51.4	57%	0.571	28%	0.28	S	S	*	.	H	α-helix	trans	-60.9	-37.6	176.1	-68.6	-56	-64.3	0	0	112.2	I285 A286 I292 A293	I285-M289 HydrophobicContact CG2-CG 4.46Å; I285-M289 WeakPolarHBondContact O-CG 3.15Å; I285-M289 PolarHBondContact O-N 3.48Å; A286-M289 PolarHBondContact O-N 2.96Å; M289-I292 PolarHBondContact O-N 3.39Å; M289-I292 HydrophobicContact SD-CD1 4.29Å; M289-A293 WeakPolarHBondContact O-CB 3.2Å; M289-A293 PolarHBondContact O-N 3.08Å
290	L	91.4	Very high	86	Confident	47 Å²	47	53.1 Å²	53.1	25%	0.246	28%	0.275	C	S	.	.	H	α-helix	trans	-62.2	-41.3	174	-75.3	172.5	0	0	0	112.3	W242 L245 I246 A286 V287 E288 A293 D294	W242-L290 HydrophobicContact CH2-CD2 4Å; L245-L290 HydrophobicContact CD2-CD2 3.93Å; I246-L290 HydrophobicContact CD1-CB 4.46Å; A286-L290 WeakPolarHBondContact O-CG 3.4Å; A286-L290 PolarHBondContact O-N 3.19Å; V287-L290 WeakPolarHBondContact O-CB 3.31Å; V287-L290 PolarHBondContact O-N 3.05Å; E288-L290 VanDerWaalsContact C-N 3.29Å; E288-L290 PolarHBondContact O-N 2.76Å; L290-A293 PolarHBondContact O-N 2.69Å; L290-D294 PolarHBondContact O-N 3.15Å
291	F	89.9	Confident	87.3	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-70.3	-35.4	177.8	-73.1	-61.1	0	0	0	113.1	I246 A249 T250 V253 V287 E288 D294 I295 A333 R362	I246-F291 HydrophobicContact CG2-CD1 4.49Å; I246-F291 HydrophobicContact CG2-CE1 3.98Å; A249-F291 HydrophobicContact CB-CE2 4.25Å; A249-F291 HydrophobicContact CB-CZ 3.9Å; T250-F291 HydrophobicContact CG2-CE1 3.66Å; T250-F291 HydrophobicContact CG2-CZ 3.69Å; V253-F291 HydrophobicContact CG2-CE2 4.04Å; V287-F291 HydrophobicContact CG1-CD2 3.83Å; V287-F291 HydrophobicContact CG1-CE2 3.33Å; V287-F291 HydrophobicContact CG1-CZ 4.37Å; V287-F291 WeakPolarHBondContact O-CD2 3.39Å; V287-F291 PolarHBondContact O-N 2.9Å; V287-F291 VanDerWaalsContact O-N 3.13Å; E288-F291 PolarHBondContact O-N 2.83Å; E288-F291 VanDerWaalsContact O-N 3.12Å; F291-D294 WeakPolarHBondContact O-CB 3.49Å; F291-D294 PolarHBondContact O-N 3.26Å; F291-I295 WeakPolarHBondContact O-CG1 2.88Å; F291-I295 PolarHBondContact O-N 3.34Å; F291-I295 VanDerWaalsContact O-N 3.17Å; F291-A333 HydrophobicContact CB-CB 4.43Å; F291-R362 VanDerWaalsContact CD2-CZ 3.48Å; F291-R362 HydrophobicContact CZ-CG 4.49Å
292	I	89.9	Confident	88.3	Confident	65 Å²	65	49 Å²	49	33%	0.333	25%	0.25	S	S	.	.	H	α-helix	trans	-64.3	-45.1	172.6	-65.7	167.7	0	0	0	109.8	E288 M289 D294 I295 I296	E288-I292 WeakPolarHBondContact O-CG1 3.45Å; E288-I292 PolarHBondContact O-N 3.11Å; M289-I292 PolarHBondContact O-N 3.39Å; M289-I292 HydrophobicContact SD-CD1 4.29Å; I292-D294 VanDerWaalsContact C-N 3.29Å; I292-D294 PolarHBondContact O-N 3.22Å; I292-I295 PolarHBondContact O-N 2.86Å; I292-I296 HydrophobicContact CG2-CD1 4.39Å; I292-I296 WeakPolarHBondContact O-CG1 3.19Å; I292-I296 PolarHBondContact O-N 2.84Å
293	A	91.9	Very high	88.7	Confident	32 Å²	32	44.2 Å²	44.2	26%	0.264	23%	0.232	S	C	.	.	H	α-helix	trans	-60.4	-38.1	174.7	0	0	0	0	0	112.2	W242 M289 L290 I295 I296 L297	W242-A293 HydrophobicContact CH2-CB 4.02Å; W242-A293 HydrophobicContact CZ2-CB 3.95Å; M289-A293 WeakPolarHBondContact O-CB 3.2Å; M289-A293 PolarHBondContact O-N 3.08Å; L290-A293 PolarHBondContact O-N 2.69Å; A293-I295 PolarHBondContact O-N 3.43Å; A293-I296 PolarHBondContact O-N 3.03Å; A293-L297 WeakPolarHBondContact O-CG 3.12Å; A293-L297 PolarHBondContact O-N 3.38Å
294	D	92	Very high	88.9	Confident	4 Å²	4	44.7 Å²	44.7	2%	0.021	23%	0.233	C	C	.	.	H	α-helix	trans	-60.5	-43.1	176.1	-166.1	52.4	0	0	0	112.4	W242 I246 L290 F291 I292 I296 L297 N298 R365	W242-D294 PolarHBondContact NE1-OD1 3.11Å; I246-D294 HydrophobicContact CD1-CB 3.79Å; I246-D294 HydrophobicContact CG1-CB 4.28Å; L290-D294 PolarHBondContact O-N 3.15Å; F291-D294 WeakPolarHBondContact O-CB 3.49Å; F291-D294 PolarHBondContact O-N 3.26Å; I292-D294 VanDerWaalsContact C-N 3.29Å; I292-D294 PolarHBondContact O-N 3.22Å; D294-I296 VanDerWaalsContact C-N 3.32Å; D294-I296 PolarHBondContact O-N 3.27Å; D294-L297 PolarHBondContact O-N 3.15Å; D294-N298 WeakPolarHBondContact O-CB 3.45Å; D294-N298 PolarHBondContact O-N 2.83Å; D294-N298 PolarHBondContact O-ND2 3.44Å; D294-R365 IonicContact OD2-CZ 3.47Å; D294-R365 IonicContact OD2-NH1 3.64Å; D294-R365 PolarHBondContact OD2-NH1 2.89Å
295	I	91.2	Very high	89	Confident	18 Å²	18	45.8 Å²	45.8	9%	0.092	24%	0.242	C	C	.	.	H	α-helix	trans	-59.4	-45.6	175.7	-67.1	169.7	0	0	0	110.4	F291 I292 A293 L297 N298 F299 Y321 F326 D329 A333	F291-I295 WeakPolarHBondContact O-CG1 2.88Å; F291-I295 PolarHBondContact O-N 3.34Å; F291-I295 VanDerWaalsContact O-N 3.17Å; I292-I295 PolarHBondContact O-N 2.86Å; A293-I295 PolarHBondContact O-N 3.43Å; I295-L297 VanDerWaalsContact C-N 3.33Å; I295-L297 PolarHBondContact O-N 2.98Å; I295-N298 PolarHBondContact O-N 2.98Å; I295-F299 HydrophobicContact CG2-CD2 4.13Å; I295-F299 HydrophobicContact CG2-CE2 3.77Å; I295-F299 WeakPolarHBondContact O-CD2 3.42Å; I295-F299 PolarHBondContact O-N 2.88Å; I295-Y321 HydrophobicContact CG2-CE1 4.34Å; I295-F326 HydrophobicContact CG2-CD2 4.42Å; I295-F326 HydrophobicContact CG2-CE2 4.3Å; I295-D329 HydrophobicContact CD1-CB 4.35Å; I295-D329 HydrophobicContact CG1-CB 4.13Å; I295-A333 HydrophobicContact CD1-CB 3.69Å
296	I	91.9	Very high	88.9	Confident	109 Å²	109	51.7 Å²	51.7	56%	0.559	27%	0.268	S	S	*	.	H	α-helix	trans	-61.9	-42	178.7	-62.7	168.9	0	0	0	110.8	I292 A293 D294	I292-I296 HydrophobicContact CG2-CD1 4.39Å; I292-I296 WeakPolarHBondContact O-CG1 3.19Å; I292-I296 PolarHBondContact O-N 2.84Å; A293-I296 PolarHBondContact O-N 3.03Å; D294-I296 VanDerWaalsContact C-N 3.32Å; D294-I296 PolarHBondContact O-N 3.27Å
297	L	90.6	Very high	88.5	Confident	44 Å²	44	52.8 Å²	52.8	23%	0.23	27%	0.272	C	S	.	.	H	α-helix	trans	-69.2	-34.6	177.9	-70.1	174.9	0	0	0	112.5	W242 A293 D294 I295 F299 R300 T301	W242-L297 HydrophobicContact CD2-CD1 3.72Å; W242-L297 HydrophobicContact CE3-CD1 4.23Å; W242-L297 HydrophobicContact CG-CD1 4.21Å; W242-L297 HydrophobicContact CH2-CD1 4.1Å; W242-L297 HydrophobicContact CZ2-CD1 3.58Å; W242-L297 HydrophobicContact CZ3-CD1 4.4Å; A293-L297 WeakPolarHBondContact O-CG 3.12Å; A293-L297 PolarHBondContact O-N 3.38Å; D294-L297 PolarHBondContact O-N 3.15Å; I295-L297 VanDerWaalsContact C-N 3.33Å; I295-L297 PolarHBondContact O-N 2.98Å; L297-F299 VanDerWaalsContact C-N 3.35Å; L297-F299 PolarHBondContact O-N 3.36Å; L297-R300 CarbonylContact O-C 3.51Å; L297-R300 PolarHBondContact O-N 3.29Å; L297-T301 PolarHBondContact O-N 3.32Å; L297-T301 PolarHBondContact O-OG1 2.99Å
298	N	89.5	Confident	87.8	Confident	25 Å²	25	53 Å²	53	13%	0.134	28%	0.278	C	S	.	.	H	α-helix	trans	-65.2	-36.6	177.8	-73.2	-23.3	0	0	0	111.9	D294 I295 R300 T301 Y321	D294-N298 WeakPolarHBondContact O-CB 3.45Å; D294-N298 PolarHBondContact O-N 2.83Å; D294-N298 PolarHBondContact O-ND2 3.44Å; I295-N298 PolarHBondContact O-N 2.98Å; N298-R300 PolarHBondContact O-N 3.4Å; N298-R300 VanDerWaalsContact O-N 3.12Å; N298-T301 PolarHBondContact O-N 3.43Å; N298-Y321 HydrophobicContact CB-CD2 4.23Å; N298-Y321 HydrophobicContact CB-CE1 4.12Å; N298-Y321 HydrophobicContact CB-CE2 3.73Å
299	F	91.2	Very high	87.5	Confident	53 Å²	53	57.2 Å²	57.2	23%	0.232	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-18.2	171.3	-80.8	-71.1	0	0	0	114.2	I295 L297 I317 C318 Y321 F326	I295-F299 HydrophobicContact CG2-CD2 4.13Å; I295-F299 HydrophobicContact CG2-CE2 3.77Å; I295-F299 WeakPolarHBondContact O-CD2 3.42Å; I295-F299 PolarHBondContact O-N 2.88Å; L297-F299 VanDerWaalsContact C-N 3.35Å; L297-F299 PolarHBondContact O-N 3.36Å; F299-I317 WeakPolarHBondContact O-CG2 3.49Å; F299-C318 HydrophobicContact CD1-CB 4.17Å; F299-Y321 AromaticContact CD1-CD1 3.71Å; F299-Y321 HydrophobicContact CD1-CD1 3.71Å; F299-Y321 HydrophobicContact CD1-CE1 4.37Å; F299-Y321 HydrophobicContact CD2-CD1 4.06Å; F299-Y321 AromaticContact CD2-CE1 3.88Å; F299-Y321 HydrophobicContact CD2-CE1 3.88Å; F299-Y321 AromaticContact CE1-CD1 3.58Å; F299-Y321 HydrophobicContact CE1-CD1 3.58Å; F299-Y321 HydrophobicContact CE1-CE1 4.18Å; F299-Y321 AromaticContact CE2-CD1 3.92Å; F299-Y321 HydrophobicContact CE2-CD1 3.92Å; F299-Y321 AromaticContact CE2-CE1 3.65Å; F299-Y321 HydrophobicContact CE2-CE1 3.65Å; F299-Y321 AromaticContact CG-CD1 3.95Å; F299-Y321 HydrophobicContact CG-CD1 3.95Å; F299-Y321 HydrophobicContact CG-CE1 4.23Å; F299-Y321 AromaticContact CZ-CD1 3.67Å; F299-Y321 HydrophobicContact CZ-CD1 3.67Å; F299-Y321 AromaticContact CZ-CE1 3.8Å; F299-Y321 HydrophobicContact CZ-CE1 3.8Å; F299-F326 AromaticContact CE2-CD2 3.85Å; F299-F326 HydrophobicContact CE2-CD2 3.85Å; F299-F326 AromaticContact CE2-CE2 3.84Å; F299-F326 HydrophobicContact CE2-CE2 3.84Å; F299-F326 AromaticContact CZ-CD2 3.54Å; F299-F326 HydrophobicContact CZ-CD2 3.54Å; F299-F326 AromaticContact CZ-CE2 3.69Å; F299-F326 HydrophobicContact CZ-CE2 3.69Å; F299-F326 HydrophobicContact CZ-CG 4.28Å
300	R	90.3	Very high	87.3	Confident	108 Å²	108	52.5 Å²	52.5	41%	0.408	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.2	3.3	-179.3	-63.5	-61	-173.5	152.6	0.3	113.4	L232 L297 N298	L232-R300 PolarHBondContact N-O 3.24Å; L297-R300 CarbonylContact O-C 3.51Å; L297-R300 PolarHBondContact O-N 3.29Å; N298-R300 PolarHBondContact O-N 3.4Å; N298-R300 VanDerWaalsContact O-N 3.12Å
301	T	90.3	Very high	87	Confident	15 Å²	15	51.6 Å²	51.6	9%	0.092	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-92.3	130.9	-179.2	-62	0	0	0	0	110.5	L232 H234 L297 N298 I317	L232-T301 WeakPolarHBondContact O-CA 3.16Å; H234-T301 HydrophobicContact CB-CG2 4.15Å; L297-T301 PolarHBondContact O-N 3.32Å; L297-T301 PolarHBondContact O-OG1 2.99Å; N298-T301 PolarHBondContact O-N 3.43Å; T301-I317 VanDerWaalsContact O-CG2 3.28Å; T301-I317 WeakPolarHBondContact O-CG2 3.5Å
302	T	89.9	Confident	86.6	Confident	4 Å²	4	53.7 Å²	53.7	3%	0.025	28%	0.28	C	S	.	.			trans	-61.6	151.8	175.3	58.7	0	0	0	0	111.7	I231 L232 H234 V310 Y312	I231-T302 HydrophobicContact CG2-CG2 3.44Å; I231-T302 VanDerWaalsContact CG2-CG2 3.44Å; L232-T302 PolarHBondContact O-N 3.27Å; H234-T302 WeakPolarHBondContact CB-O 3.25Å; H234-T302 PolarHBondContact N-OG1 2.67Å; H234-T302 PolarHBondContact ND1-OG1 2.92Å; T302-V310 HydrophobicContact CG2-CG1 4.24Å; T302-Y312 HydrophobicContact CG2-CD1 3.87Å; T302-Y312 HydrophobicContact CG2-CE1 4.06Å
303	Y	87.2	Confident	86.4	Confident	57 Å²	57	54.3 Å²	54.3	22%	0.224	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	166.4	168.5	71.8	-83.5	0	0	0	111	V311 I317 H320	Y303-V311 HydrophobicContact CD1-CB 4.37Å; Y303-V311 HydrophobicContact CE1-CB 3.89Å; Y303-V311 HydrophobicContact CE1-CG1 4.03Å; Y303-V311 HydrophobicContact CE1-CG2 4.36Å; Y303-V311 HydrophobicContact CE2-CB 4.49Å; Y303-V311 HydrophobicContact CE2-CG2 4.14Å; Y303-V311 PolarHBondContact O-N 3.19Å; Y303-I317 HydrophobicContact CD1-CG1 4Å; Y303-I317 HydrophobicContact CE1-CG1 4.06Å; Y303-H320 HydrophobicContact CD1-CB 4.46Å; Y303-H320 AromaticContact CD2-CD2 3.98Å; Y303-H320 HydrophobicContact CE1-CB 3.9Å; Y303-H320 AromaticContact CG-CD2 3.95Å; Y303-H320 AromaticContact CZ-CG 3.91Å
304	V	85.9	Confident	86.1	Confident	52 Å²	52	54.5 Å²	54.5	32%	0.315	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	123	176	-176.6	0	0	0	0	108.1
305	S	83.2	Confident	85.9	Confident	42 Å²	42	63.9 Å²	63.9	29%	0.294	32%	0.317	S	S	.	.			trans	-69.5	164.8	175.7	-175.3	0	0	0	0	111.2	S307 G308 Q309	S305-S307 PolarHBondContact O-N 3.38Å; S305-S307 VanDerWaalsContact O-N 3.15Å; S305-G308 PolarHBondContact O-N 3.26Å; S305-Q309 PolarHBondContact N-O 3.3Å
306	Q	80.9	Confident	85.8	Confident	209 Å²	209	65.1 Å²	65.1	98%	0.977	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-27.1	173.5	-66.7	180	-9.3	0	0	112.7	G308	Q306-G308 PolarHBondContact O-N 3.04Å
307	S	77.4	Confident	85.7	Confident	76 Å²	76	60.1 Å²	60.1	53%	0.531	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-1.5	173.8	60	0	0	0	0	114.3	S305 Q309	S305-S307 PolarHBondContact O-N 3.38Å; S305-S307 VanDerWaalsContact O-N 3.15Å; S307-Q309 VanDerWaalsContact C-N 3.26Å; S307-Q309 PolarHBondContact O-N 3.18Å
308	G	75.3	Confident	85.7	Confident	22 Å²	22	60 Å²	60	23%	0.227	30%	0.304	C	S	.	.	S	Bend	trans	78.1	3.2	-178.1	0	0	0	0	0	114.7	G6 L7 S305 Q306	G6-G308 CarbonylContact C-O 3.56Å; G6-G308 WeakPolarHBondContact CA-O 3.29Å; L7-G308 PolarHBondContact N-O 3.02Å; S305-G308 PolarHBondContact O-N 3.26Å; Q306-G308 PolarHBondContact O-N 3.04Å
309	Q	79.8	Confident	85.8	Confident	104 Å²	104	64.4 Å²	64.4	49%	0.486	33%	0.327	S	S	.	.	B	Isolated β-bridge	trans	-85.9	146.5	175.4	-67.6	-176.5	-15.7	0	0	111.8	S305 S307	S305-Q309 PolarHBondContact N-O 3.3Å; S307-Q309 VanDerWaalsContact C-N 3.26Å; S307-Q309 PolarHBondContact O-N 3.18Å
310	V	83.7	Confident	85.7	Confident	16 Å²	16	65.8 Å²	65.8	10%	0.097	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	120.9	175.9	-175.8	0	0	0	0	109.4	K5 L8 T302 Y312	K5-V310 VanDerWaalsContact O-CG2 3.25Å; K5-V310 WeakPolarHBondContact O-CG2 3.38Å; L8-V310 HydrophobicContact CD2-CB 4.44Å; L8-V310 HydrophobicContact CD2-CG2 3.81Å; L8-V310 HydrophobicContact CG-CG2 4.28Å; T302-V310 HydrophobicContact CG2-CG1 4.24Å; V310-Y312 HydrophobicContact CB-CE2 3.9Å; V310-Y312 HydrophobicContact CG1-CD2 4.4Å; V310-Y312 HydrophobicContact CG1-CE1 4.25Å; V310-Y312 HydrophobicContact CG1-CE2 3.84Å; V310-Y312 VanDerWaalsContact O-CD2 3.29Å; V310-Y312 WeakPolarHBondContact O-CD2 3.45Å; V310-Y312 WeakPolarHBondContact O-CE2 3.34Å
311	V	84.3	Confident	85.7	Confident	29 Å²	29	61.4 Å²	61.4	18%	0.176	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	123.4	179.1	-178	0	0	0	0	109.6	Y303	Y303-V311 HydrophobicContact CD1-CB 4.37Å; Y303-V311 HydrophobicContact CE1-CB 3.89Å; Y303-V311 HydrophobicContact CE1-CG1 4.03Å; Y303-V311 HydrophobicContact CE1-CG2 4.36Å; Y303-V311 HydrophobicContact CE2-CB 4.49Å; Y303-V311 HydrophobicContact CE2-CG2 4.14Å; Y303-V311 PolarHBondContact O-N 3.19Å
312	Y	82.8	Confident	85.8	Confident	43 Å²	43	65.3 Å²	65.3	17%	0.169	33%	0.334	C	S	.	.			trans	-106	-8.1	178.5	-64.4	-87.7	0	0	0	113.4	L8 V225 I231 T302 V310 T314	L8-Y312 WeakPolarHBondContact CD2-OH 3.41Å; V225-Y312 HydrophobicContact CB-CD2 4.38Å; V225-Y312 HydrophobicContact CB-CE2 4.13Å; V225-Y312 HydrophobicContact CG1-CD2 3.65Å; V225-Y312 HydrophobicContact CG1-CE2 3.9Å; V225-Y312 HydrophobicContact CG1-CG 4.15Å; V225-Y312 HydrophobicContact CG2-CE2 4.31Å; I231-Y312 WeakPolarHBondContact CD1-O 3.45Å; T302-Y312 HydrophobicContact CG2-CD1 3.87Å; T302-Y312 HydrophobicContact CG2-CE1 4.06Å; V310-Y312 HydrophobicContact CB-CE2 3.9Å; V310-Y312 HydrophobicContact CG1-CD2 4.4Å; V310-Y312 HydrophobicContact CG1-CE1 4.25Å; V310-Y312 HydrophobicContact CG1-CE2 3.84Å; V310-Y312 VanDerWaalsContact O-CD2 3.29Å; V310-Y312 WeakPolarHBondContact O-CD2 3.45Å; V310-Y312 WeakPolarHBondContact O-CE2 3.34Å; Y312-T314 PolarHBondContact O-N 2.89Å
313	D	84.6	Confident	85.8	Confident	78 Å²	78	70.6 Å²	70.6	42%	0.417	37%	0.366	S	S	.	.			trans	-71.5	128.1	-179.8	173.2	39.2	0	0	0	111.5	R315 S316 I317	D313-R315 PolarHBondContact O-N 2.88Å; D313-R315 PolarHBondContact OD1-N 3.28Å; D313-S316 PolarHBondContact O-N 3.34Å; D313-S316 WeakPolarHBondContact OD2-CB 3.21Å; D313-S316 PolarHBondContact OD2-N 3.21Å; D313-S316 PolarHBondContact OD2-OG 3.03Å; D313-I317 WeakPolarHBondContact O-CD1 3.41Å; D313-I317 WeakPolarHBondContact O-CG1 3.41Å; D313-I317 PolarHBondContact O-N 2.88Å
314	T	86.1	Confident	85.7	Confident	36 Å²	36	70.9 Å²	70.9	22%	0.221	37%	0.374	C	S	.	.	H	α-helix	trans	-66.9	-38.3	-176.3	-56.1	0	0	0	0	111.8	Y312 I317 C318	Y312-T314 PolarHBondContact O-N 2.89Å; T314-I317 PolarHBondContact O-N 3.27Å; T314-C318 PolarHBondContact O-N 3.13Å; T314-C318 PolarHBondContact O-SG 2.82Å
315	R	88.4	Confident	85.8	Confident	201 Å²	201	72.7 Å²	72.7	76%	0.758	38%	0.375	S	S	*	.	H	α-helix	trans	-66.3	-45.4	179.7	-69.6	-176.9	177.5	175.4	0	110.8	D313 I317 C318 L319	D313-R315 PolarHBondContact O-N 2.88Å; D313-R315 PolarHBondContact OD1-N 3.28Å; R315-I317 VanDerWaalsContact C-N 3.34Å; R315-I317 PolarHBondContact O-N 2.8Å; R315-C318 PolarHBondContact O-N 2.85Å; R315-L319 WeakPolarHBondContact O-CG 3.44Å; R315-L319 PolarHBondContact O-N 3.01Å
316	S	87.8	Confident	86.1	Confident	45 Å²	45	72.2 Å²	72.2	32%	0.315	37%	0.368	S	S	.	.	H	α-helix	trans	-61	-40.3	176.3	-59.8	0	0	0	0	112.6	D313 H320	D313-S316 PolarHBondContact O-N 3.34Å; D313-S316 WeakPolarHBondContact OD2-CB 3.21Å; D313-S316 PolarHBondContact OD2-N 3.21Å; D313-S316 PolarHBondContact OD2-OG 3.03Å; S316-H320 VanDerWaalsContact O-CB 3.29Å; S316-H320 WeakPolarHBondContact O-CB 3.27Å; S316-H320 PolarHBondContact O-N 3.44Å; S316-H320 VanDerWaalsContact O-N 3.09Å
317	I	90.6	Very high	86.5	Confident	4 Å²	4	67.6 Å²	67.6	2%	0.021	35%	0.345	C	S	.	.	H	α-helix	trans	-62.8	-48.6	174.2	-67.9	162.3	0	0	0	110.8	F299 T301 Y303 D313 T314 R315 L319 H320 Y321	F299-I317 WeakPolarHBondContact O-CG2 3.49Å; T301-I317 VanDerWaalsContact O-CG2 3.28Å; T301-I317 WeakPolarHBondContact O-CG2 3.5Å; Y303-I317 HydrophobicContact CD1-CG1 4Å; Y303-I317 HydrophobicContact CE1-CG1 4.06Å; D313-I317 WeakPolarHBondContact O-CD1 3.41Å; D313-I317 WeakPolarHBondContact O-CG1 3.41Å; D313-I317 PolarHBondContact O-N 2.88Å; T314-I317 PolarHBondContact O-N 3.27Å; R315-I317 VanDerWaalsContact C-N 3.34Å; R315-I317 PolarHBondContact O-N 2.8Å; I317-L319 PolarHBondContact O-N 2.89Å; I317-H320 PolarHBondContact O-N 3.2Å; I317-Y321 WeakPolarHBondContact O-CB 3.36Å; I317-Y321 PolarHBondContact O-N 3.42Å
318	C	90.3	Very high	86.9	Confident	40 Å²	40	66 Å²	66	27%	0.27	33%	0.332	S	S	.	.	H	α-helix	trans	-61.5	-46.5	-179.3	-69.7	0	0	0	0	112.5	F299 T314 R315 H320 Y321 F322	F299-C318 HydrophobicContact CD1-CB 4.17Å; T314-C318 PolarHBondContact O-N 3.13Å; T314-C318 PolarHBondContact O-SG 2.82Å; R315-C318 PolarHBondContact O-N 2.85Å; C318-H320 VanDerWaalsContact C-N 3.35Å; C318-H320 PolarHBondContact O-N 2.94Å; C318-Y321 PolarHBondContact O-N 3.45Å; C318-F322 VanDerWaalsContact O-CB 3.29Å; C318-F322 WeakPolarHBondContact O-CB 3.48Å; C318-F322 PolarHBondContact O-N 3.27Å
319	L	90.8	Very high	87.5	Confident	119 Å²	119	65 Å²	65	62%	0.623	32%	0.321	S	S	*	.	H	α-helix	trans	-63.3	-41.6	178.9	-72.7	170.8	0	0	0	111.8	R315 I317 F322 T323	R315-L319 WeakPolarHBondContact O-CG 3.44Å; R315-L319 PolarHBondContact O-N 3.01Å; I317-L319 PolarHBondContact O-N 2.89Å; L319-F322 PolarHBondContact O-N 3.29Å; L319-T323 WeakPolarHBondContact O-CB 3.5Å; L319-T323 PolarHBondContact O-N 3.45Å; L319-T323 VanDerWaalsContact O-N 3.09Å; L319-T323 PolarHBondContact O-OG1 2.84Å
320	H	89.9	Confident	87.9	Confident	81 Å²	81	63.6 Å²	63.6	38%	0.375	32%	0.317	S	S	.	.	H	α-helix	trans	-63.3	-46	177.1	-175.3	74.4	0	0	0	111.7	Y303 S316 I317 C318 T323 T324	Y303-H320 HydrophobicContact CD1-CB 4.46Å; Y303-H320 AromaticContact CD2-CD2 3.98Å; Y303-H320 HydrophobicContact CE1-CB 3.9Å; Y303-H320 AromaticContact CG-CD2 3.95Å; Y303-H320 AromaticContact CZ-CG 3.91Å; S316-H320 VanDerWaalsContact O-CB 3.29Å; S316-H320 WeakPolarHBondContact O-CB 3.27Å; S316-H320 PolarHBondContact O-N 3.44Å; S316-H320 VanDerWaalsContact O-N 3.09Å; I317-H320 PolarHBondContact O-N 3.2Å; C318-H320 VanDerWaalsContact C-N 3.35Å; C318-H320 PolarHBondContact O-N 2.94Å; H320-T323 PolarHBondContact O-N 3.48Å; H320-T324 WeakPolarHBondContact O-CB 3.48Å; H320-T324 VanDerWaalsContact O-CG2 3.32Å; H320-T324 WeakPolarHBondContact O-CG2 3.45Å; H320-T324 PolarHBondContact O-N 3.27Å; H320-T324 PolarHBondContact O-OG1 3.26Å
321	Y	90.8	Very high	88	Confident	17 Å²	17	66.6 Å²	66.6	7%	0.067	33%	0.331	C	S	.	.	H	α-helix	trans	-66.9	-40	178.5	-179.4	-118.8	0	0	0	112.6	I295 N298 F299 I317 C318 T323 T324 W325 F326 D329	I295-Y321 HydrophobicContact CG2-CE1 4.34Å; N298-Y321 HydrophobicContact CB-CD2 4.23Å; N298-Y321 HydrophobicContact CB-CE1 4.12Å; N298-Y321 HydrophobicContact CB-CE2 3.73Å; F299-Y321 AromaticContact CD1-CD1 3.71Å; F299-Y321 HydrophobicContact CD1-CD1 3.71Å; F299-Y321 HydrophobicContact CD1-CE1 4.37Å; F299-Y321 HydrophobicContact CD2-CD1 4.06Å; F299-Y321 AromaticContact CD2-CE1 3.88Å; F299-Y321 HydrophobicContact CD2-CE1 3.88Å; F299-Y321 AromaticContact CE1-CD1 3.58Å; F299-Y321 HydrophobicContact CE1-CD1 3.58Å; F299-Y321 HydrophobicContact CE1-CE1 4.18Å; F299-Y321 AromaticContact CE2-CD1 3.92Å; F299-Y321 HydrophobicContact CE2-CD1 3.92Å; F299-Y321 AromaticContact CE2-CE1 3.65Å; F299-Y321 HydrophobicContact CE2-CE1 3.65Å; F299-Y321 AromaticContact CG-CD1 3.95Å; F299-Y321 HydrophobicContact CG-CD1 3.95Å; F299-Y321 HydrophobicContact CG-CE1 4.23Å; F299-Y321 AromaticContact CZ-CD1 3.67Å; F299-Y321 HydrophobicContact CZ-CD1 3.67Å; F299-Y321 AromaticContact CZ-CE1 3.8Å; F299-Y321 HydrophobicContact CZ-CE1 3.8Å; I317-Y321 WeakPolarHBondContact O-CB 3.36Å; I317-Y321 PolarHBondContact O-N 3.42Å; C318-Y321 PolarHBondContact O-N 3.45Å; Y321-T323 VanDerWaalsContact C-N 3.3Å; Y321-T323 PolarHBondContact O-N 2.94Å; Y321-T324 PolarHBondContact O-N 2.9Å; Y321-T324 PolarHBondContact O-OG1 3.48Å; Y321-W325 HydrophobicContact CD2-CB 4.42Å; Y321-W325 HydrophobicContact CE2-CB 4.15Å; Y321-W325 PolarHBondContact O-N 3.3Å; Y321-F326 HydrophobicContact CD1-CB 4.14Å; Y321-F326 HydrophobicContact CD1-CD2 4.39Å; Y321-F326 HydrophobicContact CE1-CB 4.03Å; Y321-F326 AromaticContact CE1-CD2 3.82Å; Y321-F326 HydrophobicContact CE1-CD2 3.82Å; Y321-F326 HydrophobicContact CE1-CG 4.41Å; Y321-F326 WeakPolarHBondContact O-CB 3.43Å; Y321-F326 PolarHBondContact O-N 2.9Å; Y321-F326 VanDerWaalsContact O-N 3.08Å; Y321-D329 PolarHBondContact OH-OD2 2.87Å; Y321-D329 VanDerWaalsContact OH-OD2 3.08Å
322	F	92	Very high	87.9	Confident	97 Å²	97	65.2 Å²	65.2	43%	0.425	32%	0.323	S	S	.	.	H	α-helix	trans	-62.1	-38	177.7	-167.3	-96.6	0	0	0	112.5	C318 L319 F326 F327	C318-F322 VanDerWaalsContact O-CB 3.29Å; C318-F322 WeakPolarHBondContact O-CB 3.48Å; C318-F322 PolarHBondContact O-N 3.27Å; L319-F322 PolarHBondContact O-N 3.29Å; F322-F326 HydrophobicContact CD2-CB 4.48Å; F322-F326 AromaticContact CD2-CD1 3.41Å; F322-F326 HydrophobicContact CD2-CD1 3.41Å; F322-F326 VanDerWaalsContact CD2-CD1 3.41Å; F322-F326 AromaticContact CD2-CE1 3.79Å; F322-F326 HydrophobicContact CD2-CE1 3.79Å; F322-F326 HydrophobicContact CD2-CG 4.01Å; F322-F326 AromaticContact CE2-CD1 3.51Å; F322-F326 HydrophobicContact CE2-CD1 3.51Å; F322-F326 AromaticContact CE2-CE1 3.48Å; F322-F326 HydrophobicContact CE2-CE1 3.48Å; F322-F326 VanDerWaalsContact CE2-CE1 3.48Å; F322-F326 HydrophobicContact CE2-CG 4.5Å; F322-F326 HydrophobicContact CE2-CZ 4.46Å; F322-F326 HydrophobicContact CG-CD1 4.34Å; F322-F326 HydrophobicContact CZ-CD1 4.48Å; F322-F327 HydrophobicContact CD1-CE2 4.29Å; F322-F327 HydrophobicContact CD1-CZ 4.48Å; F322-F327 AromaticContact CE1-CE2 3.93Å; F322-F327 HydrophobicContact CE1-CE2 3.93Å; F322-F327 AromaticContact CE1-CZ 3.71Å; F322-F327 HydrophobicContact CE1-CZ 3.71Å; F322-F327 HydrophobicContact CE2-CZ 4.18Å; F322-F327 HydrophobicContact CZ-CE1 4.33Å; F322-F327 HydrophobicContact CZ-CE2 4.12Å; F322-F327 AromaticContact CZ-CZ 3.54Å; F322-F327 HydrophobicContact CZ-CZ 3.54Å; F322-F327 WeakPolarHBondContact O-CE2 3.47Å
323	T	89.5	Confident	87.9	Confident	115 Å²	115	63.5 Å²	63.5	71%	0.706	32%	0.317	S	S	*	.	H	α-helix	trans	-77.7	-25	-178.9	-51.4	0	0	0	0	112.8	L319 H320 Y321	L319-T323 WeakPolarHBondContact O-CB 3.5Å; L319-T323 PolarHBondContact O-N 3.45Å; L319-T323 VanDerWaalsContact O-N 3.09Å; L319-T323 PolarHBondContact O-OG1 2.84Å; H320-T323 PolarHBondContact O-N 3.48Å; Y321-T323 VanDerWaalsContact C-N 3.3Å; Y321-T323 PolarHBondContact O-N 2.94Å
324	T	86.2	Confident	87.7	Confident	62 Å²	62	63 Å²	63	38%	0.38	31%	0.314	S	S	.	.	H	α-helix	trans	-100.7	-67.4	-170.5	51.5	0	0	0	0	113.2	H320 Y321	H320-T324 WeakPolarHBondContact O-CB 3.48Å; H320-T324 VanDerWaalsContact O-CG2 3.32Å; H320-T324 WeakPolarHBondContact O-CG2 3.45Å; H320-T324 PolarHBondContact O-N 3.27Å; H320-T324 PolarHBondContact O-OG1 3.26Å; Y321-T324 PolarHBondContact O-N 2.9Å; Y321-T324 PolarHBondContact O-OG1 3.48Å
325	W	86.4	Confident	87.1	Confident	91 Å²	91	63.1 Å²	63.1	35%	0.345	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.3	-14.8	-164.3	-68.7	104.3	0	0	0	114.5	Y321 F327 V328 D329 Q368	Y321-W325 HydrophobicContact CD2-CB 4.42Å; Y321-W325 HydrophobicContact CE2-CB 4.15Å; Y321-W325 PolarHBondContact O-N 3.3Å; W325-F327 VanDerWaalsContact C-N 3.34Å; W325-F327 PolarHBondContact O-N 2.77Å; W325-V328 PolarHBondContact O-N 2.68Å; W325-D329 PolarHBondContact O-N 2.94Å; W325-Q368 HydrophobicContact CD2-CG 4.04Å; W325-Q368 HydrophobicContact CE3-CG 4.33Å; W325-Q368 VanDerWaalsContact CG-NE2 3.26Å; W325-Q368 HydrophobicContact CH2-CG 3.93Å; W325-Q368 HydrophobicContact CZ2-CG 3.62Å; W325-Q368 HydrophobicContact CZ3-CG 4.27Å
326	F	89.9	Confident	86.2	Confident	32 Å²	32	55.3 Å²	55.3	14%	0.14	29%	0.288	C	S	.	.	H	α-helix	trans	-52.7	-46.6	-175.5	172.2	-108.8	0	0	0	113.7	I295 F299 Y321 F322 V328 D329 L330	I295-F326 HydrophobicContact CG2-CD2 4.42Å; I295-F326 HydrophobicContact CG2-CE2 4.3Å; F299-F326 AromaticContact CE2-CD2 3.85Å; F299-F326 HydrophobicContact CE2-CD2 3.85Å; F299-F326 AromaticContact CE2-CE2 3.84Å; F299-F326 HydrophobicContact CE2-CE2 3.84Å; F299-F326 AromaticContact CZ-CD2 3.54Å; F299-F326 HydrophobicContact CZ-CD2 3.54Å; F299-F326 AromaticContact CZ-CE2 3.69Å; F299-F326 HydrophobicContact CZ-CE2 3.69Å; F299-F326 HydrophobicContact CZ-CG 4.28Å; Y321-F326 HydrophobicContact CD1-CB 4.14Å; Y321-F326 HydrophobicContact CD1-CD2 4.39Å; Y321-F326 HydrophobicContact CE1-CB 4.03Å; Y321-F326 AromaticContact CE1-CD2 3.82Å; Y321-F326 HydrophobicContact CE1-CD2 3.82Å; Y321-F326 HydrophobicContact CE1-CG 4.41Å; Y321-F326 WeakPolarHBondContact O-CB 3.43Å; Y321-F326 PolarHBondContact O-N 2.9Å; Y321-F326 VanDerWaalsContact O-N 3.08Å; F322-F326 HydrophobicContact CD2-CB 4.48Å; F322-F326 AromaticContact CD2-CD1 3.41Å; F322-F326 HydrophobicContact CD2-CD1 3.41Å; F322-F326 VanDerWaalsContact CD2-CD1 3.41Å; F322-F326 AromaticContact CD2-CE1 3.79Å; F322-F326 HydrophobicContact CD2-CE1 3.79Å; F322-F326 HydrophobicContact CD2-CG 4.01Å; F322-F326 AromaticContact CE2-CD1 3.51Å; F322-F326 HydrophobicContact CE2-CD1 3.51Å; F322-F326 AromaticContact CE2-CE1 3.48Å; F322-F326 HydrophobicContact CE2-CE1 3.48Å; F322-F326 VanDerWaalsContact CE2-CE1 3.48Å; F322-F326 HydrophobicContact CE2-CG 4.5Å; F322-F326 HydrophobicContact CE2-CZ 4.46Å; F322-F326 HydrophobicContact CG-CD1 4.34Å; F322-F326 HydrophobicContact CZ-CD1 4.48Å; F326-V328 PolarHBondContact O-N 3.43Å; F326-D329 PolarHBondContact O-N 3.07Å; F326-L330 HydrophobicContact CE1-CD2 4.02Å; F326-L330 HydrophobicContact CE2-CB 4.47Å; F326-L330 HydrophobicContact CZ-CB 4.4Å; F326-L330 HydrophobicContact CZ-CD2 3.89Å; F326-L330 VanDerWaalsContact O-CB 3.27Å; F326-L330 WeakPolarHBondContact O-CB 3.39Å; F326-L330 PolarHBondContact O-N 3.35Å
327	F	89.1	Confident	85.1	Confident	111 Å²	111	55.8 Å²	55.8	49%	0.487	29%	0.286	S	S	.	.	H	α-helix	trans	-64.7	-40.4	-177.5	-69.6	-76.1	0	0	0	112.7	F322 W325 D329 I331	F322-F327 HydrophobicContact CD1-CE2 4.29Å; F322-F327 HydrophobicContact CD1-CZ 4.48Å; F322-F327 AromaticContact CE1-CE2 3.93Å; F322-F327 HydrophobicContact CE1-CE2 3.93Å; F322-F327 AromaticContact CE1-CZ 3.71Å; F322-F327 HydrophobicContact CE1-CZ 3.71Å; F322-F327 HydrophobicContact CE2-CZ 4.18Å; F322-F327 HydrophobicContact CZ-CE1 4.33Å; F322-F327 HydrophobicContact CZ-CE2 4.12Å; F322-F327 AromaticContact CZ-CZ 3.54Å; F322-F327 HydrophobicContact CZ-CZ 3.54Å; F322-F327 WeakPolarHBondContact O-CE2 3.47Å; W325-F327 VanDerWaalsContact C-N 3.34Å; W325-F327 PolarHBondContact O-N 2.77Å; F327-D329 VanDerWaalsContact C-N 3.34Å; F327-I331 VanDerWaalsContact O-CG1 3.27Å; F327-I331 WeakPolarHBondContact O-CG1 3.49Å; F327-I331 PolarHBondContact O-N 3.26Å; F327-I331 VanDerWaalsContact O-N 3.09Å
328	V	86.3	Confident	83.8	Confident	44 Å²	44	60.2 Å²	60.2	27%	0.267	31%	0.31	S	S	.	.	H	α-helix	trans	-64.2	-44.3	175.7	-179.5	0	0	0	0	109.7	W325 F326 A332 L364	W325-V328 PolarHBondContact O-N 2.68Å; F326-V328 PolarHBondContact O-N 3.43Å; V328-A332 WeakPolarHBondContact O-CB 3.47Å; V328-A332 PolarHBondContact O-N 3.05Å; V328-L364 HydrophobicContact CG1-CD1 4.01Å
329	D	87.3	Confident	82.4	Confident	1 Å²	1	63.1 Å²	63.1	1%	0.005	32%	0.322	C	S	.	.	H	α-helix	trans	-68.7	-36.4	-178.6	-78.1	-10.6	0	0	0	113.1	I295 Y321 W325 F326 F327 A333 R365	I295-D329 HydrophobicContact CD1-CB 4.35Å; I295-D329 HydrophobicContact CG1-CB 4.13Å; Y321-D329 PolarHBondContact OH-OD2 2.87Å; Y321-D329 VanDerWaalsContact OH-OD2 3.08Å; W325-D329 PolarHBondContact O-N 2.94Å; F326-D329 PolarHBondContact O-N 3.07Å; F327-D329 VanDerWaalsContact C-N 3.34Å; D329-A333 VanDerWaalsContact O-CB 3.32Å; D329-A333 WeakPolarHBondContact O-CB 3.48Å; D329-A333 PolarHBondContact O-N 2.97Å; D329-A333 VanDerWaalsContact O-N 3.1Å; D329-R365 VanDerWaalsContact CB-NH2 3.32Å; D329-R365 VanDerWaalsContact CG-CZ 3.46Å; D329-R365 VanDerWaalsContact CG-NH2 3.31Å; D329-R365 PolarHBondContact O-NH2 2.79Å; D329-R365 IonicContact OD1-CZ 3.72Å; D329-R365 IonicContact OD1-NE 3.21Å; D329-R365 PolarHBondContact OD1-NE 3.32Å; D329-R365 IonicContact OD1-NH2 2.82Å; D329-R365 PolarHBondContact OD1-NH2 3.45Å; D329-R365 IonicContact OD2-CZ 3.24Å; D329-R365 IonicContact OD2-NE 3.26Å; D329-R365 IonicContact OD2-NH2 2.83Å
330	L	88.6	Confident	80.8	Confident	74 Å²	74	65.1 Å²	65.1	39%	0.387	32%	0.322	S	S	.	.	H	α-helix	trans	-65.2	-51.9	176.1	179.5	64.4	0	0	0	111.2	F326 A332 A333 L334	F326-L330 HydrophobicContact CE1-CD2 4.02Å; F326-L330 HydrophobicContact CE2-CB 4.47Å; F326-L330 HydrophobicContact CZ-CB 4.4Å; F326-L330 HydrophobicContact CZ-CD2 3.89Å; F326-L330 VanDerWaalsContact O-CB 3.27Å; F326-L330 WeakPolarHBondContact O-CB 3.39Å; F326-L330 PolarHBondContact O-N 3.35Å; L330-A332 PolarHBondContact O-N 3.18Å; L330-A333 PolarHBondContact O-N 3.32Å; L330-L334 PolarHBondContact O-N 2.77Å
331	I	85.7	Confident	79.2	Confident	78 Å²	78	64.7 Å²	64.7	40%	0.4	33%	0.333	S	S	.	.	H	α-helix	trans	-59.2	-41.2	178.8	-68.5	168.2	0	0	0	110.2	F327 A333 L334 V358 L361	F327-I331 VanDerWaalsContact O-CG1 3.27Å; F327-I331 WeakPolarHBondContact O-CG1 3.49Å; F327-I331 PolarHBondContact O-N 3.26Å; F327-I331 VanDerWaalsContact O-N 3.09Å; I331-A333 VanDerWaalsContact C-N 3.27Å; I331-A333 PolarHBondContact O-N 3.18Å; I331-L334 PolarHBondContact O-N 2.88Å; I331-V358 HydrophobicContact CG2-CG1 3.52Å; I331-L361 HydrophobicContact CG2-CD1 4Å
332	A	82.3	Confident	77.6	Confident	1 Å²	1	71.1 Å²	71.1	1%	0.008	36%	0.362	C	S	.	.	H	α-helix	trans	-67.5	-23.6	178.4	0	0	0	0	0	113.6	V328 L330 L361 R362	V328-A332 WeakPolarHBondContact O-CB 3.47Å; V328-A332 PolarHBondContact O-N 3.05Å; L330-A332 PolarHBondContact O-N 3.18Å; A332-L361 HydrophobicContact CB-CB 4.37Å; A332-R362 HydrophobicContact CB-CG 3.72Å; A332-R362 PolarHBondContact O-NE 2.85Å; A332-R362 PolarHBondContact O-NH2 3.03Å
333	A	83	Confident	75.7	Confident	6 Å²	6	73.3 Å²	73.3	5%	0.05	38%	0.378	C	S	.	.	H	α-helix	trans	-96.2	-0.9	-177.5	0	0	0	0	0	114.4	F291 I295 D329 L330 I331 P335	F291-A333 HydrophobicContact CB-CB 4.43Å; I295-A333 HydrophobicContact CD1-CB 3.69Å; D329-A333 VanDerWaalsContact O-CB 3.32Å; D329-A333 WeakPolarHBondContact O-CB 3.48Å; D329-A333 PolarHBondContact O-N 2.97Å; D329-A333 VanDerWaalsContact O-N 3.1Å; L330-A333 PolarHBondContact O-N 3.32Å; I331-A333 VanDerWaalsContact C-N 3.27Å; I331-A333 PolarHBondContact O-N 3.18Å; A333-P335 WeakPolarHBondContact O-CD 3.39Å
334	L	80	Confident	74.1	Confident	67 Å²	67	74 Å²	74	35%	0.351	38%	0.376	S	S	.	.			trans	-62.7	124.1	-178.2	-71.4	174.2	0	0	0	112.2	L330 I331 F336	L330-L334 PolarHBondContact O-N 2.77Å; I331-L334 PolarHBondContact O-N 2.88Å; L334-F336 VanDerWaalsContact C-N 3.34Å; L334-F336 HydrophobicContact CB-CD2 4.23Å; L334-F336 HydrophobicContact CB-CE1 4.25Å; L334-F336 HydrophobicContact CB-CE2 3.72Å; L334-F336 HydrophobicContact CB-CZ 3.73Å; L334-F336 HydrophobicContact CD1-CE1 4.22Å; L334-F336 HydrophobicContact CD1-CE2 4.5Å; L334-F336 HydrophobicContact CD1-CZ 3.76Å; L334-F336 HydrophobicContact CG-CZ 4.41Å; L334-F336 WeakPolarHBondContact O-CD2 3.45Å; L334-F336 PolarHBondContact O-N 3Å
335	P	74.6	Confident	72.5	Confident	39 Å²	39	76.4 Å²	76.4	25%	0.253	40%	0.395	S	S	.	.			trans	-82.8	76.8	179	33.8	-34.6	0	0	0	110.5	E288 A333 D337 L338	E288-P335 WeakPolarHBondContact OE2-CB 3.46Å; A333-P335 WeakPolarHBondContact O-CD 3.39Å; P335-D337 PolarHBondContact O-N 3.03Å; P335-L338 HydrophobicContact CB-CB 4.16Å; P335-L338 HydrophobicContact CG-CB 4.43Å; P335-L338 PolarHBondContact O-N 3.3Å; P335-L338 VanDerWaalsContact O-N 3.08Å
336	F	69.6	Low	70.7	Confident	38 Å²	38	78.1 Å²	78.1	17%	0.167	42%	0.415	C	S	.	.	H	α-helix	trans	-60.5	-25.5	-179.9	-64.8	-73.7	0	0	0	113.3	L334 L338 L339 Y340 V358	L334-F336 VanDerWaalsContact C-N 3.34Å; L334-F336 HydrophobicContact CB-CD2 4.23Å; L334-F336 HydrophobicContact CB-CE1 4.25Å; L334-F336 HydrophobicContact CB-CE2 3.72Å; L334-F336 HydrophobicContact CB-CZ 3.73Å; L334-F336 HydrophobicContact CD1-CE1 4.22Å; L334-F336 HydrophobicContact CD1-CE2 4.5Å; L334-F336 HydrophobicContact CD1-CZ 3.76Å; L334-F336 HydrophobicContact CG-CZ 4.41Å; L334-F336 WeakPolarHBondContact O-CD2 3.45Å; L334-F336 PolarHBondContact O-N 3Å; F336-L338 VanDerWaalsContact C-N 3.35Å; F336-L339 HydrophobicContact CD1-CD1 4.28Å; F336-L339 PolarHBondContact O-N 3.45Å; F336-Y340 PolarHBondContact O-N 2.98Å; F336-V358 HydrophobicContact CE2-CB 4.32Å; F336-V358 HydrophobicContact CE2-CG1 4.37Å
337	D	64.8	Low	68.7	Low	54 Å²	54	81.7 Å²	81.7	29%	0.289	44%	0.435	S	S	.	.	H	α-helix	trans	-69.7	-30.5	176.3	-69.2	-39.4	0	0	0	112.6	P335 Y340 A341 K356 R359	P335-D337 PolarHBondContact O-N 3.03Å; D337-Y340 PolarHBondContact O-N 2.83Å; D337-A341 PolarHBondContact O-N 3.02Å; D337-K356 WeakPolarHBondContact OD1-CE 3.39Å; D337-K356 IonicContact OD1-NZ 2.64Å; D337-K356 PolarHBondContact OD1-NZ 3.32Å; D337-K356 IonicContact OD2-NZ 3.36Å; D337-R359 IonicContact OD2-CZ 3.59Å; D337-R359 IonicContact OD2-NH1 2.7Å; D337-R359 PolarHBondContact OD2-NH1 2.94Å; D337-R359 IonicContact OD2-NH2 2.65Å; D337-R359 PolarHBondContact OD2-NH2 2.97Å
338	L	62.1	Low	67	Low	97 Å²	97	83.1 Å²	83.1	51%	0.508	44%	0.444	S	S	.	.	H	α-helix	trans	-73.1	-36.2	176.1	-173.8	65.4	0	0	0	111.4	P335 F336 Y340 A341 F342	P335-L338 HydrophobicContact CB-CB 4.16Å; P335-L338 HydrophobicContact CG-CB 4.43Å; P335-L338 PolarHBondContact O-N 3.3Å; P335-L338 VanDerWaalsContact O-N 3.08Å; F336-L338 VanDerWaalsContact C-N 3.35Å; L338-Y340 PolarHBondContact O-N 2.86Å; L338-A341 WeakPolarHBondContact O-CB 3.4Å; L338-A341 PolarHBondContact O-N 3.24Å; L338-A341 VanDerWaalsContact O-N 3.16Å; L338-F342 HydrophobicContact CD1-CD2 4.5Å; L338-F342 HydrophobicContact CD1-CE2 3.88Å; L338-F342 HydrophobicContact CD2-CE2 4.43Å; L338-F342 HydrophobicContact CG-CD2 4.26Å; L338-F342 HydrophobicContact CG-CE2 3.86Å; L338-F342 WeakPolarHBondContact O-CD2 3.42Å; L338-F342 PolarHBondContact O-N 2.9Å
339	L	61.1	Low	65.6	Low	101 Å²	101	85.7 Å²	85.7	53%	0.529	46%	0.46	S	S	.	.	H	α-helix	trans	-63	-30.1	175.3	-67	172.5	0	0	0	112.2	F336 F342	F336-L339 HydrophobicContact CD1-CD1 4.28Å; F336-L339 PolarHBondContact O-N 3.45Å; L339-F342 PolarHBondContact O-N 2.96Å
340	Y	57.3	Low	64.2	Low	161 Å²	161	89 Å²	89	63%	0.631	48%	0.482	S	S	*	.	H	α-helix	trans	-70	-36.9	174.1	-173.2	-98.4	0	0	0	112.5	F336 D337 L338 F342 N343	F336-Y340 PolarHBondContact O-N 2.98Å; D337-Y340 PolarHBondContact O-N 2.83Å; L338-Y340 PolarHBondContact O-N 2.86Å; Y340-F342 PolarHBondContact O-N 3.03Å; Y340-N343 PolarHBondContact O-N 3.32Å
341	A	56.3	Low	62.9	Low	73 Å²	73	89.4 Å²	89.4	60%	0.603	49%	0.485	S	S	*	.	H	α-helix	trans	-64.7	-20.6	176.3	0	0	0	0	0	113.3	D337 L338	D337-A341 PolarHBondContact O-N 3.02Å; L338-A341 WeakPolarHBondContact O-CB 3.4Å; L338-A341 PolarHBondContact O-N 3.24Å; L338-A341 VanDerWaalsContact O-N 3.16Å
342	F	57.1	Low	61.8	Low	152 Å²	152	87.2 Å²	87.2	67%	0.667	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	18.6	178.7	-73.5	-70.3	0	0	0	114.9	L338 L339 Y340	L338-F342 HydrophobicContact CD1-CD2 4.5Å; L338-F342 HydrophobicContact CD1-CE2 3.88Å; L338-F342 HydrophobicContact CD2-CE2 4.43Å; L338-F342 HydrophobicContact CG-CD2 4.26Å; L338-F342 HydrophobicContact CG-CE2 3.86Å; L338-F342 WeakPolarHBondContact O-CD2 3.42Å; L338-F342 PolarHBondContact O-N 2.9Å; L339-F342 PolarHBondContact O-N 2.96Å; Y340-F342 PolarHBondContact O-N 3.03Å
343	N	52.7	Low	60.9	Low	143 Å²	143	90 Å²	90	77%	0.765	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	50.3	162.3	-103	-14.9	0	0	0	116.3	Y340 S345	Y340-N343 PolarHBondContact O-N 3.32Å; N343-S345 PolarHBondContact O-N 3.38Å
344	I	55.5	Low	60.2	Low	129 Å²	129	94.7 Å²	94.7	66%	0.662	51%	0.511	S	S	*	.			trans	-91	91.6	162.4	-55.9	175.1	0	0	0	108.6	V346	I344-V346 VanDerWaalsContact C-N 3.29Å; I344-V346 PolarHBondContact O-N 3.34Å; I344-V346 VanDerWaalsContact O-N 3.12Å
345	S	52.4	Low	59.7	Low	113 Å²	113	95 Å²	95	79%	0.79	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	24.7	-168.7	49.6	0	0	0	0	116.6	N343	N343-S345 PolarHBondContact O-N 3.38Å
346	V	49.6	Very low	59.6	Low	126 Å²	126	95.2 Å²	95.2	76%	0.764	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.8	-8.3	-167.5	-175.2	0	0	0	0	115.6	I344	I344-V346 VanDerWaalsContact C-N 3.29Å; I344-V346 PolarHBondContact O-N 3.34Å; I344-V346 VanDerWaalsContact O-N 3.12Å
347	L	46.5	Very low	60	Low	107 Å²	107	95.9 Å²	95.9	56%	0.56	52%	0.517	S	S	*	.	S	Bend	trans	-92.9	112.2	172.4	-85.9	135.5	0	0	0	110.4	T349 L351 V352	L347-T349 PolarHBondContact O-N 2.89Å; L347-L351 HydrophobicContact CD2-CD1 4.38Å; L347-V352 HydrophobicContact CB-CG2 4.01Å
348	Q	53.4	Low	60.7	Low	142 Å²	142	95 Å²	95	66%	0.664	51%	0.513	S	S	*	.			trans	-30.7	118.8	169.4	-163.6	164.6	-3.5	0	0	111	S350 L351	Q348-S350 PolarHBondContact O-N 3Å; Q348-L351 PolarHBondContact O-N 3.15Å
349	T	57	Low	61.5	Low	98 Å²	98	90.8 Å²	90.8	60%	0.601	49%	0.491	S	S	*	.	H	α-helix	trans	-48.1	-32.3	-170.3	46.1	0	0	0	0	113.4	L347 H353	L347-T349 PolarHBondContact O-N 2.89Å; T349-H353 PolarHBondContact O-CD2 3.49Å; T349-H353 PolarHBondContact O-N 2.9Å
350	S	58.4	Low	62.5	Low	69 Å²	69	88 Å²	88	48%	0.483	48%	0.477	S	S	.	.	H	α-helix	trans	-66.3	-35.9	177.2	58.8	0	0	0	0	115.3	Q348 L354	Q348-S350 PolarHBondContact O-N 3Å; S350-L354 PolarHBondContact O-N 3.39Å
351	L	61.5	Low	63.7	Low	83 Å²	83	83.8 Å²	83.8	44%	0.435	46%	0.464	S	S	.	.	H	α-helix	trans	-71.7	-33.9	179.1	-70.3	176	0	0	0	111.6	L347 Q348 L354 L355	L347-L351 HydrophobicContact CD2-CD1 4.38Å; Q348-L351 PolarHBondContact O-N 3.15Å; L351-L354 PolarHBondContact O-N 2.76Å; L351-L355 WeakPolarHBondContact O-CG 3.23Å; L351-L355 PolarHBondContact O-N 3.28Å
352	V	62.8	Low	64.8	Low	33 Å²	33	80.5 Å²	80.5	20%	0.2	44%	0.436	C	S	.	.	H	α-helix	trans	-67.9	-38.5	178	-179.3	0	0	0	0	111.2	L347 L354 L355	L347-V352 HydrophobicContact CB-CG2 4.01Å; V352-L354 VanDerWaalsContact C-N 3.33Å; V352-L354 PolarHBondContact O-N 3.22Å; V352-L355 PolarHBondContact O-N 3.39Å
353	H	64.1	Low	66	Low	60 Å²	60	74.9 Å²	74.9	28%	0.278	41%	0.413	S	S	.	.	H	α-helix	trans	-65.7	-34.9	172.9	-74.1	-69.6	0	0	0	112.5	V261 S265 T349 K356	V261-H353 WeakPolarHBondContact CG2-O 3.35Å; S265-H353 PolarHBondContact OG-CD2 3.44Å; S265-H353 VanDerWaalsContact OG-CD2 3.25Å; T349-H353 PolarHBondContact O-CD2 3.49Å; T349-H353 PolarHBondContact O-N 2.9Å; H353-K356 WeakPolarHBondContact O-CB 3.49Å; H353-K356 PolarHBondContact O-N 2.98Å
354	L	68.4	Low	67.3	Low	103 Å²	103	71.2 Å²	71.2	54%	0.539	39%	0.393	S	S	.	.	H	α-helix	trans	-69.6	-34.5	175	-171	62.8	0	0	0	112.2	S350 L351 V352 K356 T357	S350-L354 PolarHBondContact O-N 3.39Å; L351-L354 PolarHBondContact O-N 2.76Å; V352-L354 VanDerWaalsContact C-N 3.33Å; V352-L354 PolarHBondContact O-N 3.22Å; L354-K356 PolarHBondContact O-N 3.05Å; L354-T357 HydrophobicContact CD1-CG2 4.17Å; L354-T357 WeakPolarHBondContact O-CB 3.4Å; L354-T357 WeakPolarHBondContact O-CG2 3.39Å; L354-T357 PolarHBondContact O-N 2.83Å; L354-T357 PolarHBondContact O-OG1 3.04Å
355	L	69.4	Low	68.2	Low	74 Å²	74	65.3 Å²	65.3	39%	0.387	36%	0.363	S	S	.	.	H	α-helix	trans	-61.4	-24	174.7	-73.8	170.3	0	0	0	113	L351 V352 T357 V358	L351-L355 WeakPolarHBondContact O-CG 3.23Å; L351-L355 PolarHBondContact O-N 3.28Å; V352-L355 PolarHBondContact O-N 3.39Å; L355-T357 PolarHBondContact O-N 3.48Å; L355-V358 VanDerWaalsContact O-CB 3.26Å; L355-V358 WeakPolarHBondContact O-CB 3.2Å; L355-V358 VanDerWaalsContact O-CG2 3.27Å; L355-V358 WeakPolarHBondContact O-CG2 3.41Å; L355-V358 PolarHBondContact O-N 2.97Å; L355-V358 VanDerWaalsContact O-N 3.13Å
356	K	71.6	Confident	69.4	Low	44 Å²	44	61.7 Å²	61.7	19%	0.191	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-61.6	-25.6	172.5	-60.6	-168.9	176	-159.2	0	112.8	V257 V261 D337 H353 L354 V358 R359	V257-K356 HydrophobicContact CG1-CB 4.4Å; V257-K356 WeakPolarHBondContact CG1-O 3.27Å; V261-K356 HydrophobicContact CG2-CB 4.39Å; D337-K356 WeakPolarHBondContact OD1-CE 3.39Å; D337-K356 IonicContact OD1-NZ 2.64Å; D337-K356 PolarHBondContact OD1-NZ 3.32Å; D337-K356 IonicContact OD2-NZ 3.36Å; H353-K356 WeakPolarHBondContact O-CB 3.49Å; H353-K356 PolarHBondContact O-N 2.98Å; L354-K356 PolarHBondContact O-N 3.05Å; K356-V358 PolarHBondContact O-N 2.87Å; K356-R359 VanDerWaalsContact O-CB 3.26Å; K356-R359 WeakPolarHBondContact O-CB 3.27Å; K356-R359 WeakPolarHBondContact O-CG 3.26Å; K356-R359 PolarHBondContact O-N 2.98Å; K356-R359 VanDerWaalsContact O-N 3.1Å
357	T	77.3	Confident	70.6	Confident	51 Å²	51	60.6 Å²	60.6	31%	0.313	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-66.9	-18.9	177.5	67.4	0	0	0	0	113.2	V261 L354 L355 R359 L360	V261-T357 HydrophobicContact CG2-CG2 4.47Å; L354-T357 HydrophobicContact CD1-CG2 4.17Å; L354-T357 WeakPolarHBondContact O-CB 3.4Å; L354-T357 WeakPolarHBondContact O-CG2 3.39Å; L354-T357 PolarHBondContact O-N 2.83Å; L354-T357 PolarHBondContact O-OG1 3.04Å; L355-T357 PolarHBondContact O-N 3.48Å; T357-R359 PolarHBondContact O-N 2.61Å; T357-R359 VanDerWaalsContact O-N 3.12Å; T357-L360 VanDerWaalsContact O-CB 3.26Å; T357-L360 WeakPolarHBondContact O-CB 3.19Å; T357-L360 WeakPolarHBondContact O-CG 3.43Å; T357-L360 PolarHBondContact O-N 3.49Å
358	V	80.2	Confident	71.7	Confident	35 Å²	35	59 Å²	59	21%	0.212	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-57.5	-26.6	171.4	178	0	0	0	0	111.2	I331 F336 L355 K356 L360 L361	I331-V358 HydrophobicContact CG2-CG1 3.52Å; F336-V358 HydrophobicContact CE2-CB 4.32Å; F336-V358 HydrophobicContact CE2-CG1 4.37Å; L355-V358 VanDerWaalsContact O-CB 3.26Å; L355-V358 WeakPolarHBondContact O-CB 3.2Å; L355-V358 VanDerWaalsContact O-CG2 3.27Å; L355-V358 WeakPolarHBondContact O-CG2 3.41Å; L355-V358 PolarHBondContact O-N 2.97Å; L355-V358 VanDerWaalsContact O-N 3.13Å; K356-V358 PolarHBondContact O-N 2.87Å; V358-L360 PolarHBondContact O-N 3.25Å; V358-L360 VanDerWaalsContact O-N 3.16Å; V358-L361 HydrophobicContact CG1-CD1 3.87Å; V358-L361 VanDerWaalsContact O-CB 3.29Å; V358-L361 WeakPolarHBondContact O-CB 3.31Å; V358-L361 WeakPolarHBondContact O-CG 3.27Å; V358-L361 PolarHBondContact O-N 3.5Å
359	R	79.5	Confident	72.6	Confident	10 Å²	10	53.1 Å²	53.1	4%	0.038	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-61.3	-20.1	173.4	-63.5	-179.2	175.3	166.8	6.9	113.2	V253 V257 E288 D337 K356 T357 L361 R362	V253-R359 HydrophobicContact CG1-CB 3.79Å; V257-R359 HydrophobicContact CG2-CB 4.21Å; E288-R359 IonicContact OE1-CZ 3.49Å; E288-R359 IonicContact OE1-NE 2.77Å; E288-R359 IonicContact OE1-NH1 3.94Å; E288-R359 IonicContact OE1-NH2 3.62Å; E288-R359 PolarHBondContact OE1-NH2 2.95Å; D337-R359 IonicContact OD2-CZ 3.59Å; D337-R359 IonicContact OD2-NH1 2.7Å; D337-R359 PolarHBondContact OD2-NH1 2.94Å; D337-R359 IonicContact OD2-NH2 2.65Å; D337-R359 PolarHBondContact OD2-NH2 2.97Å; K356-R359 VanDerWaalsContact O-CB 3.26Å; K356-R359 WeakPolarHBondContact O-CB 3.27Å; K356-R359 WeakPolarHBondContact O-CG 3.26Å; K356-R359 PolarHBondContact O-N 2.98Å; K356-R359 VanDerWaalsContact O-N 3.1Å; T357-R359 PolarHBondContact O-N 2.61Å; T357-R359 VanDerWaalsContact O-N 3.12Å; R359-L361 PolarHBondContact O-N 2.85Å; R359-R362 VanDerWaalsContact O-CB 3.29Å; R359-R362 WeakPolarHBondContact O-CB 3.28Å; R359-R362 VanDerWaalsContact O-CD 3.3Å; R359-R362 WeakPolarHBondContact O-CD 3.3Å; R359-R362 WeakPolarHBondContact O-CG 3.16Å; R359-R362 PolarHBondContact O-N 2.83Å
360	L	81.8	Confident	73.4	Confident	43 Å²	43	52.2 Å²	52.2	23%	0.225	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-70	-19.3	175.3	-62.8	178	0	0	0	112.8	P258 T357 V358 R362 L363 W394	P258-L360 HydrophobicContact CG-CD2 4.31Å; T357-L360 VanDerWaalsContact O-CB 3.26Å; T357-L360 WeakPolarHBondContact O-CB 3.19Å; T357-L360 WeakPolarHBondContact O-CG 3.43Å; T357-L360 PolarHBondContact O-N 3.49Å; V358-L360 PolarHBondContact O-N 3.25Å; V358-L360 VanDerWaalsContact O-N 3.16Å; L360-R362 PolarHBondContact O-N 3.01Å; L360-L363 WeakPolarHBondContact O-CB 3.06Å; L360-L363 PolarHBondContact O-N 3.42Å; L360-W394 HydrophobicContact CD2-CZ2 4.04Å
361	L	82.9	Confident	74	Confident	71 Å²	71	55 Å²	55	37%	0.372	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-57	-21.4	171.7	-66.4	176.4	0	0	0	112.2	I331 A332 V358 R359 L363 L364	I331-L361 HydrophobicContact CG2-CD1 4Å; A332-L361 HydrophobicContact CB-CB 4.37Å; V358-L361 HydrophobicContact CG1-CD1 3.87Å; V358-L361 VanDerWaalsContact O-CB 3.29Å; V358-L361 WeakPolarHBondContact O-CB 3.31Å; V358-L361 WeakPolarHBondContact O-CG 3.27Å; V358-L361 PolarHBondContact O-N 3.5Å; R359-L361 PolarHBondContact O-N 2.85Å; L361-L363 PolarHBondContact O-N 3.45Å; L361-L363 VanDerWaalsContact O-N 3.14Å; L361-L364 HydrophobicContact CB-CD1 4.32Å; L361-L364 HydrophobicContact CD2-CD1 3.88Å; L361-L364 VanDerWaalsContact O-CB 3.26Å; L361-L364 WeakPolarHBondContact O-CB 3.45Å; L361-L364 WeakPolarHBondContact O-CG 3.36Å; L361-L364 PolarHBondContact O-N 3.43Å
362	R	79.6	Confident	74.4	Confident	4 Å²	4	53.9 Å²	53.9	2%	0.015	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-57.3	-25.3	173.6	-63.8	173.8	-173.1	179.6	-1	113	T250 F291 A332 R359 L360 L364 R365	T250-R362 HydrophobicContact CG2-CB 4.08Å; F291-R362 VanDerWaalsContact CD2-CZ 3.48Å; F291-R362 HydrophobicContact CZ-CG 4.49Å; A332-R362 HydrophobicContact CB-CG 3.72Å; A332-R362 PolarHBondContact O-NE 2.85Å; A332-R362 PolarHBondContact O-NH2 3.03Å; R359-R362 VanDerWaalsContact O-CB 3.29Å; R359-R362 WeakPolarHBondContact O-CB 3.28Å; R359-R362 VanDerWaalsContact O-CD 3.3Å; R359-R362 WeakPolarHBondContact O-CD 3.3Å; R359-R362 WeakPolarHBondContact O-CG 3.16Å; R359-R362 PolarHBondContact O-N 2.83Å; L360-R362 PolarHBondContact O-N 3.01Å; R362-L364 PolarHBondContact O-N 2.99Å; R362-R365 VanDerWaalsContact O-CB 3.24Å; R362-R365 WeakPolarHBondContact O-CB 3.36Å; R362-R365 WeakPolarHBondContact O-CG 3.3Å; R362-R365 PolarHBondContact O-N 3.38Å; R362-R365 VanDerWaalsContact O-N 3.11Å
363	L	80.6	Confident	74.8	Confident	34 Å²	34	53 Å²	53	18%	0.178	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-66.9	-22	176.2	-69.3	169.5	0	0	0	113	A254 L360 L361 R365 L366 W394	A254-L363 HydrophobicContact CB-CD1 4.15Å; A254-L363 HydrophobicContact CB-CD2 4.07Å; A254-L363 HydrophobicContact CB-CG 4.46Å; L360-L363 WeakPolarHBondContact O-CB 3.06Å; L360-L363 PolarHBondContact O-N 3.42Å; L361-L363 PolarHBondContact O-N 3.45Å; L361-L363 VanDerWaalsContact O-N 3.14Å; L363-R365 PolarHBondContact O-N 2.83Å; L363-L366 HydrophobicContact CD2-CD1 3.66Å; L363-L366 HydrophobicContact CD2-CG 4.41Å; L363-L366 WeakPolarHBondContact O-CB 3.5Å; L363-L366 VanDerWaalsContact O-CG 3.31Å; L363-L366 WeakPolarHBondContact O-CG 3.33Å; L363-L366 PolarHBondContact O-N 2.84Å; L363-W394 HydrophobicContact CD1-CH2 3.38Å; L363-W394 HydrophobicContact CD1-CZ2 3.45Å; L363-W394 VanDerWaalsContact CD1-CZ2 3.45Å
364	L	81.2	Confident	75.2	Confident	66 Å²	66	52.8 Å²	52.8	35%	0.346	27%	0.274	S	S	.	.	H	α-helix	trans	-61	-24.2	172.3	-67.7	160.1	0	0	0	111.7	V328 L361 R362 L366 L367	V328-L364 HydrophobicContact CG1-CD1 4.01Å; L361-L364 HydrophobicContact CB-CD1 4.32Å; L361-L364 HydrophobicContact CD2-CD1 3.88Å; L361-L364 VanDerWaalsContact O-CB 3.26Å; L361-L364 WeakPolarHBondContact O-CB 3.45Å; L361-L364 WeakPolarHBondContact O-CG 3.36Å; L361-L364 PolarHBondContact O-N 3.43Å; R362-L364 PolarHBondContact O-N 2.99Å; L364-L366 PolarHBondContact O-N 3.4Å; L364-L367 HydrophobicContact CD2-CD1 3.9Å; L364-L367 VanDerWaalsContact O-CB 3.3Å; L364-L367 WeakPolarHBondContact O-CB 3.3Å; L364-L367 PolarHBondContact O-N 3.33Å; L364-L367 VanDerWaalsContact O-N 3.09Å
365	R	74.9	Confident	75.4	Confident	6 Å²	6	49.8 Å²	49.8	2%	0.023	26%	0.257	C	S	.	.	H	α-helix	trans	-64.8	-22.9	173.3	-59.5	-174.9	-178.8	-164.8	10.7	112.9	D294 D329 R362 L363 L367 Q368	D294-R365 IonicContact OD2-CZ 3.47Å; D294-R365 IonicContact OD2-NH1 3.64Å; D294-R365 PolarHBondContact OD2-NH1 2.89Å; D329-R365 VanDerWaalsContact CB-NH2 3.32Å; D329-R365 VanDerWaalsContact CG-CZ 3.46Å; D329-R365 VanDerWaalsContact CG-NH2 3.31Å; D329-R365 PolarHBondContact O-NH2 2.79Å; D329-R365 IonicContact OD1-CZ 3.72Å; D329-R365 IonicContact OD1-NE 3.21Å; D329-R365 PolarHBondContact OD1-NE 3.32Å; D329-R365 IonicContact OD1-NH2 2.82Å; D329-R365 PolarHBondContact OD1-NH2 3.45Å; D329-R365 IonicContact OD2-CZ 3.24Å; D329-R365 IonicContact OD2-NE 3.26Å; D329-R365 IonicContact OD2-NH2 2.83Å; R362-R365 VanDerWaalsContact O-CB 3.24Å; R362-R365 WeakPolarHBondContact O-CB 3.36Å; R362-R365 WeakPolarHBondContact O-CG 3.3Å; R362-R365 PolarHBondContact O-N 3.38Å; R362-R365 VanDerWaalsContact O-N 3.11Å; L363-R365 PolarHBondContact O-N 2.83Å; R365-L367 PolarHBondContact O-N 3.36Å; R365-Q368 WeakPolarHBondContact O-CB 3.47Å; R365-Q368 PolarHBondContact O-N 2.84Å
366	L	75.9	Confident	75.9	Confident	36 Å²	36	53.5 Å²	53.5	19%	0.188	27%	0.267	C	S	.	.	H	α-helix	trans	-63.4	-34.7	173.3	-59.7	-179.6	0	0	0	111.3	L247 L363 L364 Q368 K369 L370	L247-L366 HydrophobicContact CD1-CD2 3.07Å; L363-L366 HydrophobicContact CD2-CD1 3.66Å; L363-L366 HydrophobicContact CD2-CG 4.41Å; L363-L366 WeakPolarHBondContact O-CB 3.5Å; L363-L366 VanDerWaalsContact O-CG 3.31Å; L363-L366 WeakPolarHBondContact O-CG 3.33Å; L363-L366 PolarHBondContact O-N 2.84Å; L364-L366 PolarHBondContact O-N 3.4Å; L366-Q368 VanDerWaalsContact C-N 3.31Å; L366-Q368 PolarHBondContact O-N 2.98Å; L366-K369 CarbonylContact O-C 3.49Å; L366-K369 PolarHBondContact O-N 2.98Å; L366-K369 VanDerWaalsContact O-N 3.1Å; L366-L370 PolarHBondContact O-N 3.39Å
367	L	74.6	Confident	76.2	Confident	103 Å²	103	52.9 Å²	52.9	54%	0.539	27%	0.268	S	S	.	.	H	α-helix	trans	-62.5	-40.2	178.3	-59.6	175.7	0	0	0	111.1	L364 R365 K369 L370	L364-L367 HydrophobicContact CD2-CD1 3.9Å; L364-L367 VanDerWaalsContact O-CB 3.3Å; L364-L367 WeakPolarHBondContact O-CB 3.3Å; L364-L367 PolarHBondContact O-N 3.33Å; L364-L367 VanDerWaalsContact O-N 3.09Å; R365-L367 PolarHBondContact O-N 3.36Å; L367-K369 PolarHBondContact O-N 2.81Å; L367-L370 PolarHBondContact O-N 3.49Å
368	Q	70.3	Confident	76.4	Confident	73 Å²	73	53.9 Å²	53.9	34%	0.341	28%	0.282	S	S	.	.	H	α-helix	trans	-62.9	-25.8	176.7	-59.8	172.8	9	0	0	113	W325 R365 L366	W325-Q368 HydrophobicContact CD2-CG 4.04Å; W325-Q368 HydrophobicContact CE3-CG 4.33Å; W325-Q368 VanDerWaalsContact CG-NE2 3.26Å; W325-Q368 HydrophobicContact CH2-CG 3.93Å; W325-Q368 HydrophobicContact CZ2-CG 3.62Å; W325-Q368 HydrophobicContact CZ3-CG 4.27Å; R365-Q368 WeakPolarHBondContact O-CB 3.47Å; R365-Q368 PolarHBondContact O-N 2.84Å; L366-Q368 VanDerWaalsContact C-N 3.31Å; L366-Q368 PolarHBondContact O-N 2.98Å
369	K	73.1	Confident	76.6	Confident	19 Å²	19	54.1 Å²	54.1	8%	0.083	28%	0.284	C	S	.	.	H	α-helix	trans	-103.2	-6.1	-175.6	-61.9	179	176.5	-177.7	0	112.9	D243 L366 L367 D371 R372 Y373	D243-K369 HydrophobicContact CB-CD 4.35Å; D243-K369 PolarHBondContact O-NZ 3.03Å; D243-K369 VanDerWaalsContact O-NZ 3.15Å; D243-K369 WeakPolarHBondContact OD1-CE 3.47Å; D243-K369 IonicContact OD1-NZ 2.76Å; D243-K369 PolarHBondContact OD1-NZ 3.22Å; L366-K369 CarbonylContact O-C 3.49Å; L366-K369 PolarHBondContact O-N 2.98Å; L366-K369 VanDerWaalsContact O-N 3.1Å; L367-K369 PolarHBondContact O-N 2.81Å; K369-D371 VanDerWaalsContact C-N 3.3Å; K369-D371 PolarHBondContact O-N 3.47Å; K369-R372 WeakPolarHBondContact O-CB 3.28Å; K369-R372 PolarHBondContact O-N 2.84Å; K369-Y373 HydrophobicContact CB-CD2 3.95Å; K369-Y373 HydrophobicContact CB-CE2 3.47Å; K369-Y373 VanDerWaalsContact CB-CE2 3.47Å; K369-Y373 HydrophobicContact CD-CE2 4.32Å; K369-Y373 HydrophobicContact CG-CE2 4.49Å; K369-Y373 WeakPolarHBondContact O-CD2 3.22Å; K369-Y373 PolarHBondContact O-N 3.26Å
370	L	73.3	Confident	76.9	Confident	80 Å²	80	55.6 Å²	55.6	42%	0.419	29%	0.294	S	S	.	.	H	α-helix	trans	-62	-38.2	-174.2	-161.5	148.5	0	0	0	111.6	L366 L367 R372 Y373 S374	L366-L370 PolarHBondContact O-N 3.39Å; L367-L370 PolarHBondContact O-N 3.49Å; L370-R372 VanDerWaalsContact C-N 3.27Å; L370-R372 PolarHBondContact O-N 2.95Å; L370-Y373 PolarHBondContact O-N 3.08Å; L370-Y373 VanDerWaalsContact O-N 3.16Å; L370-S374 VanDerWaalsContact O-CB 3.26Å; L370-S374 WeakPolarHBondContact O-CB 3.34Å; L370-S374 PolarHBondContact O-N 2.84Å; L370-S374 PolarHBondContact O-OG 3.26Å
371	D	70.4	Confident	77	Confident	126 Å²	126	55.8 Å²	55.8	67%	0.674	29%	0.294	S	S	*	.	H	α-helix	trans	-64.7	-27.5	176.7	-74.5	-15.1	0	0	0	114	K369 S374 Q375	K369-D371 VanDerWaalsContact C-N 3.3Å; K369-D371 PolarHBondContact O-N 3.47Å; D371-S374 PolarHBondContact O-OG 3.36Å; D371-Q375 WeakPolarHBondContact O-CG 3.4Å; D371-Q375 PolarHBondContact O-NE2 3.49Å
372	R	71.4	Confident	77.3	Confident	60 Å²	60	57.1 Å²	57.1	23%	0.226	31%	0.306	C	S	.	.	H	α-helix	trans	-75.7	-40.7	174.3	-178.3	179.6	-58.7	-130.8	3.6	110.8	V3 H234 K369 L370 Q375	V3-R372 HydrophobicContact CG2-CB 3.81Å; V3-R372 HydrophobicContact CG2-CG 3.6Å; H234-R372 PolarHBondContact O-NH2 3.42Å; K369-R372 WeakPolarHBondContact O-CB 3.28Å; K369-R372 PolarHBondContact O-N 2.84Å; L370-R372 VanDerWaalsContact C-N 3.27Å; L370-R372 PolarHBondContact O-N 2.95Å; R372-Q375 WeakPolarHBondContact O-CG 3.27Å
373	Y	71.3	Confident	77.5	Confident	14 Å²	14	59.1 Å²	59.1	6%	0.055	32%	0.317	C	S	.	.	H	α-helix	trans	-82.2	-29	-176	-61	-46.5	0	0	0	113.4	W244 L247 K369 L370 Q375 Y376 V379	W244-Y373 HydrophobicContact CH2-CD1 4.45Å; W244-Y373 HydrophobicContact CH2-CE1 4.03Å; W244-Y373 HydrophobicContact CZ2-CD1 4.27Å; W244-Y373 AromaticContact CZ2-CE1 3.72Å; W244-Y373 HydrophobicContact CZ2-CE1 3.72Å; L247-Y373 HydrophobicContact CD2-CE2 4.13Å; K369-Y373 HydrophobicContact CB-CD2 3.95Å; K369-Y373 HydrophobicContact CB-CE2 3.47Å; K369-Y373 VanDerWaalsContact CB-CE2 3.47Å; K369-Y373 HydrophobicContact CD-CE2 4.32Å; K369-Y373 HydrophobicContact CG-CE2 4.49Å; K369-Y373 WeakPolarHBondContact O-CD2 3.22Å; K369-Y373 PolarHBondContact O-N 3.26Å; L370-Y373 PolarHBondContact O-N 3.08Å; L370-Y373 VanDerWaalsContact O-N 3.16Å; Y373-Q375 PolarHBondContact O-N 2.87Å; Y373-Y376 PolarHBondContact O-N 2.85Å; Y373-V379 HydrophobicContact CD1-CG1 4.12Å; Y373-V379 HydrophobicContact CG-CG1 4.31Å
374	S	71.4	Confident	77.8	Confident	56 Å²	56	59 Å²	59	39%	0.392	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-16	-179.2	68.1	0	0	0	0	114.2	L370 D371	L370-S374 VanDerWaalsContact O-CB 3.26Å; L370-S374 WeakPolarHBondContact O-CB 3.34Å; L370-S374 PolarHBondContact O-N 2.84Å; L370-S374 PolarHBondContact O-OG 3.26Å; D371-S374 PolarHBondContact O-OG 3.36Å
375	Q	71.8	Confident	78.2	Confident	40 Å²	40	59.7 Å²	59.7	19%	0.187	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-33.3	-177.6	-51.2	175.7	8	0	0	112.3	M1 D371 R372 Y373	M1-Q375 WeakPolarHBondContact O-CG 3.45Å; M1-Q375 PolarHBondContact O-NE2 3.47Å; M1-Q375 PolarHBondContact O-OE1 2.65Å; D371-Q375 WeakPolarHBondContact O-CG 3.4Å; D371-Q375 PolarHBondContact O-NE2 3.49Å; R372-Q375 WeakPolarHBondContact O-CG 3.27Å; Y373-Q375 PolarHBondContact O-N 2.87Å
376	Y	80	Confident	78.9	Confident	152 Å²	152	61 Å²	61	60%	0.596	33%	0.328	S	S	*	.	S	Bend	trans	-106.6	104.7	-177.5	-61.3	-79.5	0	0	0	109	Y373 A378 V379 V380	Y373-Y376 PolarHBondContact O-N 2.85Å; Y376-A378 PolarHBondContact O-N 3.4Å; Y376-A378 VanDerWaalsContact O-N 3.13Å; Y376-V379 HydrophobicContact CG-CG2 4.48Å; Y376-V379 WeakPolarHBondContact O-CB 3.46Å; Y376-V379 PolarHBondContact O-N 3.07Å; Y376-V380 PolarHBondContact O-N 3.35Å; Y376-V380 VanDerWaalsContact O-N 3.08Å
377	S	79.2	Confident	79.5	Confident	31 Å²	31	61.7 Å²	61.7	22%	0.217	33%	0.334	C	S	.	.	H	α-helix	trans	-59.4	-30.6	-174.4	-51.9	0	0	0	0	113.5	V380 L381 R499	S377-V380 PolarHBondContact O-N 2.78Å; S377-L381 PolarHBondContact O-N 2.77Å; S377-L381 VanDerWaalsContact O-N 3.07Å; S377-R499 PolarHBondContact OG-NH1 3.48Å
378	A	81.3	Confident	80.3	Confident	72 Å²	72	58.6 Å²	58.6	60%	0.595	32%	0.316	S	S	*	.	H	α-helix	trans	-65.7	-39.8	172.8	0	0	0	0	0	112.7	Y376 L381 T382	Y376-A378 PolarHBondContact O-N 3.4Å; Y376-A378 VanDerWaalsContact O-N 3.13Å; A378-L381 PolarHBondContact O-N 2.87Å; A378-T382 PolarHBondContact O-N 3.33Å; A378-T382 PolarHBondContact O-OG1 2.94Å; A378-T382 VanDerWaalsContact O-OG1 3.08Å
379	V	84.3	Confident	81.4	Confident	41 Å²	41	57.5 Å²	57.5	25%	0.248	32%	0.32	C	S	.	.	H	α-helix	trans	-66.7	-39.9	176.5	178.5	0	0	0	0	110.5	W244 Y373 Y376 L381 T382 L383	W244-V379 HydrophobicContact CH2-CG1 4.28Å; Y373-V379 HydrophobicContact CD1-CG1 4.12Å; Y373-V379 HydrophobicContact CG-CG1 4.31Å; Y376-V379 HydrophobicContact CG-CG2 4.48Å; Y376-V379 WeakPolarHBondContact O-CB 3.46Å; Y376-V379 PolarHBondContact O-N 3.07Å; V379-L381 VanDerWaalsContact C-N 3.35Å; V379-L381 PolarHBondContact O-N 2.82Å; V379-T382 PolarHBondContact O-N 3.34Å; V379-L383 WeakPolarHBondContact O-CB 3.47Å; V379-L383 PolarHBondContact O-N 3.49Å
380	V	84.7	Confident	82.3	Confident	41 Å²	41	57.3 Å²	57.3	25%	0.248	32%	0.319	C	S	.	.	H	α-helix	trans	-59.4	-45.4	174.7	177	0	0	0	0	111.3	Y376 S377 L383 L384	Y376-V380 PolarHBondContact O-N 3.35Å; Y376-V380 VanDerWaalsContact O-N 3.08Å; S377-V380 PolarHBondContact O-N 2.78Å; V380-L383 PolarHBondContact O-N 3.03Å; V380-L384 WeakPolarHBondContact O-CB 3.15Å; V380-L384 PolarHBondContact O-N 2.85Å
381	L	85.8	Confident	83.2	Confident	46 Å²	46	55 Å²	55	24%	0.241	31%	0.308	C	S	.	.	H	α-helix	trans	-62.6	-46.4	177.3	-177.5	63.1	0	0	0	111.6	S377 A378 V379 L383 L384 M385 V493 I496	S377-L381 PolarHBondContact O-N 2.77Å; S377-L381 VanDerWaalsContact O-N 3.07Å; A378-L381 PolarHBondContact O-N 2.87Å; V379-L381 VanDerWaalsContact C-N 3.35Å; V379-L381 PolarHBondContact O-N 2.82Å; L381-L383 VanDerWaalsContact C-N 3.33Å; L381-L383 PolarHBondContact O-N 3.39Å; L381-L384 PolarHBondContact O-N 3.4Å; L381-M385 HydrophobicContact CD1-CE 3.84Å; L381-M385 WeakPolarHBondContact O-CG 3.41Å; L381-M385 PolarHBondContact O-N 2.88Å; L381-V493 HydrophobicContact CD1-CG2 3.68Å; L381-V493 HydrophobicContact CD2-CG2 4.45Å; L381-I496 HydrophobicContact CB-CD1 3.86Å; L381-I496 HydrophobicContact CD2-CD1 4.18Å; L381-I496 HydrophobicContact CG-CD1 4.41Å
382	T	87.6	Confident	84.4	Confident	100 Å²	100	49.1 Å²	49.1	61%	0.613	28%	0.276	S	S	*	.	H	α-helix	trans	-61.8	-40.9	177.6	-56.5	0	0	0	0	111.9	A378 V379 M385 S386	A378-T382 PolarHBondContact O-N 3.33Å; A378-T382 PolarHBondContact O-OG1 2.94Å; A378-T382 VanDerWaalsContact O-OG1 3.08Å; V379-T382 PolarHBondContact O-N 3.34Å; T382-M385 PolarHBondContact O-N 2.91Å; T382-S386 PolarHBondContact O-N 2.99Å; T382-S386 PolarHBondContact O-OG 2.86Å
383	L	84.7	Confident	85.5	Confident	46 Å²	46	46.6 Å²	46.6	24%	0.241	27%	0.267	C	S	.	.	H	α-helix	trans	-64.2	-41	174.9	-179.5	65.9	0	0	0	111.6	V379 V380 L381 S386 V387	V379-L383 WeakPolarHBondContact O-CB 3.47Å; V379-L383 PolarHBondContact O-N 3.49Å; V380-L383 PolarHBondContact O-N 3.03Å; L381-L383 VanDerWaalsContact C-N 3.33Å; L381-L383 PolarHBondContact O-N 3.39Å; L383-S386 WeakPolarHBondContact CA-OG 3.35Å; L383-S386 PolarHBondContact O-N 3.22Å; L383-S386 PolarHBondContact O-OG 3.06Å; L383-V387 VanDerWaalsContact O-CG2 3.29Å; L383-V387 WeakPolarHBondContact O-CG2 3.48Å; L383-V387 PolarHBondContact O-N 2.97Å
384	L	86.9	Confident	86.6	Confident	30 Å²	30	49 Å²	49	16%	0.157	28%	0.276	C	S	.	.	H	α-helix	trans	-65.2	-41.9	177.1	-175.7	64.4	0	0	0	111.5	V380 L381 S386 V387 F388 V488 V489 N492	V380-L384 WeakPolarHBondContact O-CB 3.15Å; V380-L384 PolarHBondContact O-N 2.85Å; L381-L384 PolarHBondContact O-N 3.4Å; L384-S386 VanDerWaalsContact C-N 3.35Å; L384-V387 PolarHBondContact O-N 2.68Å; L384-F388 WeakPolarHBondContact O-CB 3.11Å; L384-F388 PolarHBondContact O-N 3.15Å; L384-V488 HydrophobicContact CD1-CG1 4.07Å; L384-V488 HydrophobicContact CD2-CG1 4.15Å; L384-V489 HydrophobicContact CD2-CB 4.29Å; L384-V489 HydrophobicContact CD2-CG2 3.74Å; L384-V489 HydrophobicContact CG-CG2 3.89Å; L384-N492 HydrophobicContact CD2-CB 4.16Å
385	M	89.9	Confident	87.7	Confident	81 Å²	81	47.7 Å²	47.7	40%	0.399	26%	0.264	S	S	.	.	H	α-helix	trans	-65.3	-36.9	175.2	-68.8	-62.3	172.6	0	0	112.2	L381 T382 F388 A389 V489	L381-M385 HydrophobicContact CD1-CE 3.84Å; L381-M385 WeakPolarHBondContact O-CG 3.41Å; L381-M385 PolarHBondContact O-N 2.88Å; T382-M385 PolarHBondContact O-N 2.91Å; M385-F388 PolarHBondContact O-N 2.89Å; M385-A389 PolarHBondContact O-N 3.46Å; M385-V489 HydrophobicContact CE-CG1 3.33Å; M385-V489 HydrophobicContact SD-CG1 4.34Å
386	S	89.8	Confident	88.8	Confident	33 Å²	33	45.8 Å²	45.8	23%	0.231	26%	0.255	C	S	.	.	H	α-helix	trans	-69.9	-38.2	175.4	71.8	0	0	0	0	112.1	T382 L383 L384 F388 A389 L390	T382-S386 PolarHBondContact O-N 2.99Å; T382-S386 PolarHBondContact O-OG 2.86Å; L383-S386 WeakPolarHBondContact CA-OG 3.35Å; L383-S386 PolarHBondContact O-N 3.22Å; L383-S386 PolarHBondContact O-OG 3.06Å; L384-S386 VanDerWaalsContact C-N 3.35Å; S386-F388 VanDerWaalsContact C-N 3.35Å; S386-A389 PolarHBondContact O-N 3.02Å; S386-L390 WeakPolarHBondContact O-CG 3.32Å; S386-L390 PolarHBondContact O-N 2.88Å
387	V	88.8	Confident	89.5	Confident	52 Å²	52	38.7 Å²	38.7	32%	0.315	23%	0.227	S	C	.	.	H	α-helix	trans	-62.1	-42.1	171.5	169.9	0	0	0	0	111.1	L383 L384 A389 L390 L391	L383-V387 VanDerWaalsContact O-CG2 3.29Å; L383-V387 WeakPolarHBondContact O-CG2 3.48Å; L383-V387 PolarHBondContact O-N 2.97Å; L384-V387 PolarHBondContact O-N 2.68Å; V387-A389 PolarHBondContact O-N 3.38Å; V387-L390 PolarHBondContact O-N 3.05Å; V387-L391 HydrophobicContact CG1-CD1 4.09Å; V387-L391 HydrophobicContact CG1-CG 4.43Å; V387-L391 WeakPolarHBondContact O-CB 3.49Å; V387-L391 WeakPolarHBondContact O-CG 3.42Å; V387-L391 PolarHBondContact O-N 2.97Å
388	F	90.9	Very high	90.1	Very high	38 Å²	38	40.7 Å²	40.7	17%	0.167	24%	0.235	C	C	.	.	H	α-helix	trans	-60.2	-45.2	174.9	178.2	-104.5	0	0	0	112	L384 M385 S386 L391 A392 L453 L456 T457 M485	L384-F388 WeakPolarHBondContact O-CB 3.11Å; L384-F388 PolarHBondContact O-N 3.15Å; M385-F388 PolarHBondContact O-N 2.89Å; S386-F388 VanDerWaalsContact C-N 3.35Å; F388-L391 PolarHBondContact O-N 3.49Å; F388-A392 PolarHBondContact O-N 3.23Å; F388-L453 HydrophobicContact CE1-CD2 4.3Å; F388-L456 HydrophobicContact CE2-CB 3.91Å; F388-L456 HydrophobicContact CE2-CD1 4.47Å; F388-L456 HydrophobicContact CZ-CB 3.93Å; F388-T457 HydrophobicContact CE1-CG2 4.26Å; F388-T457 HydrophobicContact CZ-CG2 3.89Å; F388-M485 HydrophobicContact CD2-CB 4.29Å
389	A	92.4	Very high	90.8	Very high	50 Å²	50	37.2 Å²	37.2	41%	0.413	21%	0.207	S	C	.	.	H	α-helix	trans	-63.8	-39.7	175.8	0	0	0	0	0	112.6	M385 S386 V387 A392 H393	M385-A389 PolarHBondContact O-N 3.46Å; S386-A389 PolarHBondContact O-N 3.02Å; V387-A389 PolarHBondContact O-N 3.38Å; A389-A392 PolarHBondContact O-N 3.08Å; A389-H393 WeakPolarHBondContact O-CB 3.42Å; A389-H393 PolarHBondContact O-N 2.83Å
390	L	92.5	Very high	91.1	Very high	14 Å²	14	35.9 Å²	35.9	7%	0.073	20%	0.197	C	C	.	.	H	α-helix	trans	-64.5	-43	174.9	-74.6	174.4	0	0	0	112	F251 A254 V255 S386 V387 H393 W394	F251-L390 HydrophobicContact CD2-CD1 3.83Å; F251-L390 HydrophobicContact CD2-CD2 4.14Å; F251-L390 HydrophobicContact CD2-CG 4.16Å; F251-L390 HydrophobicContact CE2-CD1 3.82Å; F251-L390 HydrophobicContact CE2-CD2 3.75Å; F251-L390 HydrophobicContact CE2-CG 3.67Å; F251-L390 HydrophobicContact CZ-CD2 4.26Å; F251-L390 HydrophobicContact CZ-CG 4.49Å; A254-L390 HydrophobicContact CB-CD1 4.21Å; A254-L390 HydrophobicContact CB-CD2 3.89Å; V255-L390 HydrophobicContact CG2-CD2 3.52Å; S386-L390 WeakPolarHBondContact O-CG 3.32Å; S386-L390 PolarHBondContact O-N 2.88Å; V387-L390 PolarHBondContact O-N 3.05Å; L390-H393 WeakPolarHBondContact O-CB 3.35Å; L390-H393 PolarHBondContact O-N 3.47Å; L390-W394 VanDerWaalsContact O-CD1 3.31Å; L390-W394 VanDerWaalsContact O-CG 3.28Å; L390-W394 PolarHBondContact O-N 2.8Å
391	L	92.6	Very high	91.3	Very high	33 Å²	33	36.7 Å²	36.7	17%	0.173	20%	0.199	C	C	.	.	H	α-helix	trans	-61.4	-44.4	175.3	-75.7	170.5	0	0	0	111.2	V387 F388 H393 W394 M395 M485	V387-L391 HydrophobicContact CG1-CD1 4.09Å; V387-L391 HydrophobicContact CG1-CG 4.43Å; V387-L391 WeakPolarHBondContact O-CB 3.49Å; V387-L391 WeakPolarHBondContact O-CG 3.42Å; V387-L391 PolarHBondContact O-N 2.97Å; F388-L391 PolarHBondContact O-N 3.49Å; L391-H393 VanDerWaalsContact C-N 3.32Å; L391-H393 PolarHBondContact O-N 2.81Å; L391-W394 PolarHBondContact O-N 2.97Å; L391-M395 WeakPolarHBondContact O-CB 3.42Å; L391-M395 VanDerWaalsContact O-CG 3.26Å; L391-M395 WeakPolarHBondContact O-CG 3.43Å; L391-M395 PolarHBondContact O-N 2.65Å; L391-M485 HydrophobicContact CD1-CE 3.66Å; L391-M485 HydrophobicContact CD1-CG 4.14Å; L391-M485 HydrophobicContact CD1-SD 3.82Å
392	A	94.7	Very high	91.6	Very high	1 Å²	1	36 Å²	36	1%	0.008	20%	0.196	C	C	.	.	H	α-helix	trans	-58.3	-45.2	174.2	0	0	0	0	0	111.6	F388 A389 M395 A396 L449 T452 L453 L456	F388-A392 PolarHBondContact O-N 3.23Å; A389-A392 PolarHBondContact O-N 3.08Å; A392-M395 PolarHBondContact O-N 3.28Å; A392-A396 WeakPolarHBondContact O-CB 3.39Å; A392-A396 PolarHBondContact O-N 3.47Å; A392-L449 HydrophobicContact CB-CD1 4.32Å; A392-T452 PolarHBondContact O-OG1 3.04Å; A392-L453 HydrophobicContact CB-CD2 3.66Å; A392-L453 HydrophobicContact CB-CG 4.08Å; A392-L456 VanDerWaalsContact CA-CD1 3.5Å; A392-L456 HydrophobicContact CB-CD1 3.62Å
393	H	95.2	Very high	91.6	Very high	7 Å²	7	31.3 Å²	31.3	3%	0.032	17%	0.167	C	C	.	.	H	α-helix	trans	-60.5	-45.9	175.6	174	68.6	0	0	0	112.7	V255 A389 L390 L391 A396 C397 Y445	V255-H393 PolarHBondContact O-NE2 3.25Å; A389-H393 WeakPolarHBondContact O-CB 3.42Å; A389-H393 PolarHBondContact O-N 2.83Å; L390-H393 WeakPolarHBondContact O-CB 3.35Å; L390-H393 PolarHBondContact O-N 3.47Å; L391-H393 VanDerWaalsContact C-N 3.32Å; L391-H393 PolarHBondContact O-N 2.81Å; H393-A396 WeakPolarHBondContact O-CB 3.43Å; H393-A396 PolarHBondContact O-N 2.84Å; H393-C397 PolarHBondContact O-N 3.21Å; H393-C397 PolarHBondContact O-SG 3Å; H393-Y445 AromaticContact CE1-CE2 3.72Å; H393-Y445 AromaticContact ND1-CE2 3.52Å; H393-Y445 AromaticContact ND1-CZ 3.69Å; H393-Y445 PolarHBondContact ND1-OH 3.38Å
394	W	94.4	Very high	91.5	Very high	66 Å²	66	31.5 Å²	31.5	25%	0.25	16%	0.164	C	C	.	.	H	α-helix	trans	-65.5	-42.9	179	-67.7	-0.8	0	0	0	112.3	A254 L360 L363 L390 L391 A396 C397 I398	A254-W394 HydrophobicContact CB-CZ2 4.39Å; A254-W394 PolarHBondContact O-NE1 2.94Å; L360-W394 HydrophobicContact CD2-CZ2 4.04Å; L363-W394 HydrophobicContact CD1-CH2 3.38Å; L363-W394 HydrophobicContact CD1-CZ2 3.45Å; L363-W394 VanDerWaalsContact CD1-CZ2 3.45Å; L390-W394 VanDerWaalsContact O-CD1 3.31Å; L390-W394 VanDerWaalsContact O-CG 3.28Å; L390-W394 PolarHBondContact O-N 2.8Å; L391-W394 PolarHBondContact O-N 2.97Å; W394-A396 VanDerWaalsContact C-N 3.26Å; W394-A396 PolarHBondContact O-N 3.16Å; W394-C397 WeakPolarHBondContact O-CB 3.41Å; W394-C397 PolarHBondContact O-N 3.3Å; W394-I398 WeakPolarHBondContact O-CG1 3.3Å; W394-I398 PolarHBondContact O-N 3.03Å
395	M	94.5	Very high	91.4	Very high	28 Å²	28	36.6 Å²	36.6	14%	0.138	19%	0.185	C	C	.	.	H	α-helix	trans	-62.1	-37.5	173.8	-68	-54.3	122.8	0	0	110.8	L391 A392 I398 W399 T452 F474 I478	L391-M395 WeakPolarHBondContact O-CB 3.42Å; L391-M395 VanDerWaalsContact O-CG 3.26Å; L391-M395 WeakPolarHBondContact O-CG 3.43Å; L391-M395 PolarHBondContact O-N 2.65Å; A392-M395 PolarHBondContact O-N 3.28Å; M395-I398 HydrophobicContact CE-CD1 3.99Å; M395-I398 PolarHBondContact O-N 3.27Å; M395-I398 HydrophobicContact SD-CD1 4.29Å; M395-W399 VanDerWaalsContact O-CB 3.31Å; M395-W399 WeakPolarHBondContact O-CB 3.42Å; M395-W399 PolarHBondContact O-N 3.09Å; M395-T452 HydrophobicContact CB-CG2 3.88Å; M395-F474 HydrophobicContact CB-CZ 4.39Å; M395-F474 WeakPolarHBondContact O-CZ 3.19Å; M395-F474 HydrophobicContact SD-CE2 4.15Å; M395-F474 HydrophobicContact SD-CZ 4.21Å; M395-I478 HydrophobicContact CB-CD1 3.85Å; M395-I478 HydrophobicContact CB-CG1 4.37Å; M395-I478 HydrophobicContact CG-CD1 4.18Å; M395-I478 HydrophobicContact CG-CG1 4.15Å; M395-I478 HydrophobicContact SD-CD1 4.42Å; M395-I478 HydrophobicContact SD-CG1 4.08Å
396	A	95.2	Very high	91.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-64.9	-40.8	176.5	0	0	0	0	0	112	A392 H393 W394 W399 Y400 L449 T452	A392-A396 WeakPolarHBondContact O-CB 3.39Å; A392-A396 PolarHBondContact O-N 3.47Å; H393-A396 WeakPolarHBondContact O-CB 3.43Å; H393-A396 PolarHBondContact O-N 2.84Å; W394-A396 VanDerWaalsContact C-N 3.26Å; W394-A396 PolarHBondContact O-N 3.16Å; A396-W399 WeakPolarHBondContact O-CB 3.47Å; A396-W399 PolarHBondContact O-N 3.4Å; A396-Y400 PolarHBondContact O-N 3.37Å; A396-L449 HydrophobicContact CB-CB 4.25Å; A396-L449 HydrophobicContact CB-CD1 4.17Å; A396-T452 HydrophobicContact CB-CG2 4.24Å
397	C	93.4	Very high	90.6	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.014	17%	0.166	C	C	.	.	H	α-helix	trans	-60.3	-45.8	173	-78.6	0	0	0	0	112	P258 C262 H393 W394 Y400 I401	P258-C397 HydrophobicContact CB-CB 4.29Å; C262-C397 HydrophobicContact CB-CB 4.28Å; C262-C397 VanDerWaalsContact SG-CB 3.55Å; H393-C397 PolarHBondContact O-N 3.21Å; H393-C397 PolarHBondContact O-SG 3Å; W394-C397 WeakPolarHBondContact O-CB 3.41Å; W394-C397 PolarHBondContact O-N 3.3Å; C397-Y400 PolarHBondContact O-N 3.29Å; C397-I401 PolarHBondContact O-N 2.91Å; C397-I401 VanDerWaalsContact O-N 3.08Å
398	I	93.1	Very high	89.9	Confident	73 Å²	73	35.8 Å²	35.8	37%	0.374	17%	0.173	S	C	.	.	H	α-helix	trans	-65.5	-42.7	177.3	-63.9	164.7	0	0	0	110.7	W394 M395 Y400 I401 I402 F474	W394-I398 WeakPolarHBondContact O-CG1 3.3Å; W394-I398 PolarHBondContact O-N 3.03Å; M395-I398 HydrophobicContact CE-CD1 3.99Å; M395-I398 PolarHBondContact O-N 3.27Å; M395-I398 HydrophobicContact SD-CD1 4.29Å; I398-Y400 VanDerWaalsContact C-N 3.29Å; I398-Y400 PolarHBondContact O-N 2.91Å; I398-I401 PolarHBondContact O-N 2.93Å; I398-I401 VanDerWaalsContact O-N 3.12Å; I398-I402 HydrophobicContact CG2-CD1 4Å; I398-I402 HydrophobicContact CG2-CG1 4.41Å; I398-I402 WeakPolarHBondContact O-CG1 3.47Å; I398-I402 PolarHBondContact O-N 3.38Å; I398-F474 HydrophobicContact CB-CE2 3.98Å; I398-F474 HydrophobicContact CB-CZ 3.96Å; I398-F474 HydrophobicContact CG2-CD2 4.14Å; I398-F474 HydrophobicContact CG2-CE2 3.4Å; I398-F474 HydrophobicContact CG2-CZ 3.81Å
399	W	94.8	Very high	89.1	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-56.5	-42.6	176.1	-177	-114	0	0	0	112.5	M395 A396 I402 G403 W419 F451 T452 V464 A466 E471 F474	M395-W399 VanDerWaalsContact O-CB 3.31Å; M395-W399 WeakPolarHBondContact O-CB 3.42Å; M395-W399 PolarHBondContact O-N 3.09Å; A396-W399 WeakPolarHBondContact O-CB 3.47Å; A396-W399 PolarHBondContact O-N 3.4Å; W399-I402 PolarHBondContact O-N 3.08Å; W399-G403 PolarHBondContact O-N 3.07Å; W399-G403 VanDerWaalsContact O-N 3.17Å; W399-W419 AromaticContact CD1-CE2 3.52Å; W399-W419 AromaticContact CD1-CH2 3.78Å; W399-W419 AromaticContact CD1-CZ2 3.37Å; W399-W419 AromaticContact CD1-NE1 3.94Å; W399-W419 AromaticContact CD2-NE1 3.83Å; W399-W419 AromaticContact CE2-CD1 3.53Å; W399-W419 AromaticContact CE2-CD2 3.62Å; W399-W419 AromaticContact CE2-CE2 3.58Å; W399-W419 AromaticContact CE2-CG 3.62Å; W399-W419 AromaticContact CE2-NE1 3.48Å; W399-W419 HydrophobicContact CG-CZ2 4.19Å; W399-W419 HydrophobicContact CH2-CB 4.37Å; W399-W419 AromaticContact CH2-CD1 3.84Å; W399-W419 HydrophobicContact CH2-CG 4.13Å; W399-W419 HydrophobicContact CZ2-CB 3.69Å; W399-W419 AromaticContact CZ2-CD1 3.35Å; W399-W419 AromaticContact CZ2-CD2 3.81Å; W399-W419 HydrophobicContact CZ2-CD2 3.81Å; W399-W419 AromaticContact CZ2-CG 3.32Å; W399-W419 HydrophobicContact CZ2-CG 3.32Å; W399-W419 AromaticContact CZ2-NE1 3.83Å; W399-W419 AromaticContact NE1-CD1 3.9Å; W399-W419 AromaticContact NE1-CD2 3.2Å; W399-W419 AromaticContact NE1-CE2 3.12Å; W399-W419 AromaticContact NE1-CE3 3.54Å; W399-W419 AromaticContact NE1-CG 3.75Å; W399-W419 AromaticContact NE1-CH2 3.77Å; W399-W419 AromaticContact NE1-CZ2 3.43Å; W399-W419 AromaticContact NE1-CZ3 3.8Å; W399-W419 AromaticContact NE1-NE1 3.53Å; W399-W419 PolarHBondContact O-NE1 3.19Å; W399-F451 AromaticContact CD1-CD1 3.9Å; W399-F451 AromaticContact CD2-CD1 3.66Å; W399-F451 HydrophobicContact CD2-CD1 3.66Å; W399-F451 AromaticContact CD2-CE1 3.64Å; W399-F451 HydrophobicContact CD2-CE1 3.64Å; W399-F451 AromaticContact CE2-CD1 3.45Å; W399-F451 VanDerWaalsContact CE2-CD1 3.45Å; W399-F451 AromaticContact CE2-CE1 3.6Å; W399-F451 HydrophobicContact CE3-CD1 4.31Å; W399-F451 AromaticContact CE3-CE1 3.81Å; W399-F451 HydrophobicContact CE3-CE1 3.81Å; W399-F451 AromaticContact CG-CD1 3.9Å; W399-F451 HydrophobicContact CG-CD1 3.9Å; W399-F451 HydrophobicContact CG-CE1 4.29Å; W399-F451 HydrophobicContact CH2-CD1 4.47Å; W399-F451 AromaticContact CH2-CE1 3.83Å; W399-F451 HydrophobicContact CH2-CE1 3.83Å; W399-F451 AromaticContact CH2-CZ 3.92Å; W399-F451 HydrophobicContact CH2-CZ 3.92Å; W399-F451 AromaticContact CZ2-CD1 3.91Å; W399-F451 HydrophobicContact CZ2-CD1 3.91Å; W399-F451 AromaticContact CZ2-CE1 3.71Å; W399-F451 HydrophobicContact CZ2-CE1 3.71Å; W399-F451 HydrophobicContact CZ2-CE2 4.4Å; W399-F451 HydrophobicContact CZ2-CG 4.34Å; W399-F451 AromaticContact CZ2-CZ 3.97Å; W399-F451 HydrophobicContact CZ2-CZ 3.97Å; W399-F451 AromaticContact CZ3-CE1 3.88Å; W399-F451 HydrophobicContact CZ3-CE1 3.88Å; W399-F451 HydrophobicContact CZ3-CZ 4.27Å; W399-F451 AromaticContact NE1-CD1 3.61Å; W399-F451 AromaticContact NE1-CG 3.99Å; W399-T452 HydrophobicContact CB-CG2 4.39Å; W399-V464 HydrophobicContact CZ2-CG1 4.35Å; W399-A466 HydrophobicContact CH2-CB 4.03Å; W399-E471 HydrophobicContact CH2-CB 3.68Å; W399-E471 HydrophobicContact CH2-CG 3.66Å; W399-E471 HydrophobicContact CZ3-CB 3.72Å; W399-E471 HydrophobicContact CZ3-CG 3.76Å; W399-F474 HydrophobicContact CB-CE1 3.82Å; W399-F474 HydrophobicContact CB-CZ 4.33Å; W399-F474 HydrophobicContact CD2-CD1 4.38Å; W399-F474 HydrophobicContact CD2-CE1 4.18Å; W399-F474 AromaticContact CE3-CD1 3.33Å; W399-F474 HydrophobicContact CE3-CD1 3.33Å; W399-F474 AromaticContact CE3-CE1 3.52Å; W399-F474 HydrophobicContact CE3-CE1 3.52Å; W399-F474 HydrophobicContact CE3-CG 4.42Å; W399-F474 HydrophobicContact CG-CE1 4.36Å; W399-F474 AromaticContact CZ3-CD1 3.78Å; W399-F474 HydrophobicContact CZ3-CD1 3.78Å; W399-F474 HydrophobicContact CZ3-CE1 4.39Å
400	Y	92.1	Very high	87.6	Confident	12 Å²	12	37.7 Å²	37.7	5%	0.047	19%	0.189	C	C	.	.	H	α-helix	trans	-63	-45.1	173.2	-175.9	-105.2	0	0	0	113.2	C262 F263 A396 C397 I398 I402 G403 R404 W419 L420 A444	C262-Y400 HydrophobicContact CB-CD1 4.37Å; C262-Y400 VanDerWaalsContact O-CE1 3.28Å; C262-Y400 WeakPolarHBondContact O-CE1 3.3Å; F263-Y400 AromaticContact CD1-CD1 3.72Å; F263-Y400 HydrophobicContact CD1-CD1 3.72Å; F263-Y400 HydrophobicContact CD1-CD2 4.25Å; F263-Y400 AromaticContact CD1-CE1 3.61Å; F263-Y400 HydrophobicContact CD1-CE1 3.61Å; F263-Y400 HydrophobicContact CD1-CE2 4.17Å; F263-Y400 HydrophobicContact CD1-CG 4.03Å; F263-Y400 AromaticContact CD1-CZ 3.84Å; F263-Y400 HydrophobicContact CD2-CD1 4.38Å; F263-Y400 AromaticContact CE1-CD1 3.54Å; F263-Y400 HydrophobicContact CE1-CD1 3.54Å; F263-Y400 AromaticContact CE1-CD2 3.52Å; F263-Y400 HydrophobicContact CE1-CD2 3.52Å; F263-Y400 AromaticContact CE1-CE1 3.83Å; F263-Y400 HydrophobicContact CE1-CE1 3.83Å; F263-Y400 AromaticContact CE1-CE2 3.83Å; F263-Y400 HydrophobicContact CE1-CE2 3.83Å; F263-Y400 AromaticContact CE1-CG 3.36Å; F263-Y400 HydrophobicContact CE1-CG 3.36Å; F263-Y400 AromaticContact CE1-CZ 3.96Å; F263-Y400 HydrophobicContact CE2-CD1 4.21Å; F263-Y400 HydrophobicContact CE2-CG 4.29Å; F263-Y400 HydrophobicContact CG-CD1 4.15Å; F263-Y400 HydrophobicContact CG-CE1 4.15Å; F263-Y400 AromaticContact CZ-CD1 3.79Å; F263-Y400 HydrophobicContact CZ-CD1 3.79Å; F263-Y400 HydrophobicContact CZ-CD2 4.04Å; F263-Y400 AromaticContact CZ-CG 3.5Å; F263-Y400 HydrophobicContact CZ-CG 3.5Å; A396-Y400 PolarHBondContact O-N 3.37Å; C397-Y400 PolarHBondContact O-N 3.29Å; I398-Y400 VanDerWaalsContact C-N 3.29Å; I398-Y400 PolarHBondContact O-N 2.91Å; Y400-I402 VanDerWaalsContact C-N 3.31Å; Y400-I402 PolarHBondContact O-N 3.43Å; Y400-G403 PolarHBondContact O-N 3.36Å; Y400-R404 HydrophobicContact CD1-CG 4.08Å; Y400-R404 HydrophobicContact CD2-CG 4.4Å; Y400-R404 HydrophobicContact CE1-CG 3.63Å; Y400-R404 HydrophobicContact CE2-CG 3.98Å; Y400-R404 HydrophobicContact CG-CG 4.45Å; Y400-R404 WeakPolarHBondContact O-CB 3.25Å; Y400-R404 WeakPolarHBondContact O-CG 3.09Å; Y400-R404 PolarHBondContact O-N 3.08Å; Y400-W419 HydrophobicContact CD2-CZ2 4.47Å; Y400-L420 HydrophobicContact CD2-CD2 4.37Å; Y400-L420 HydrophobicContact CE2-CD1 4.41Å; Y400-L420 HydrophobicContact CE2-CD2 4.01Å; Y400-A444 HydrophobicContact CD2-CB 4.29Å; Y400-A444 HydrophobicContact CE2-CB 3.91Å
401	I	89.1	Confident	86.3	Confident	58 Å²	58	41.8 Å²	41.8	30%	0.297	21%	0.21	S	C	.	.	H	α-helix	trans	-60.5	-40.7	176.2	-72.1	176.8	0	0	0	111.4	C262 C397 I398 R404 K405	C262-I401 HydrophobicContact CB-CD1 4.13Å; C262-I401 HydrophobicContact CB-CG1 4.02Å; C262-I401 WeakPolarHBondContact SG-CD1 3.43Å; C397-I401 PolarHBondContact O-N 2.91Å; C397-I401 VanDerWaalsContact O-N 3.08Å; I398-I401 PolarHBondContact O-N 2.93Å; I398-I401 VanDerWaalsContact O-N 3.12Å; I401-R404 PolarHBondContact O-N 2.87Å; I401-K405 HydrophobicContact CG2-CD 4.17Å; I401-K405 HydrophobicContact CG2-CG 4.3Å; I401-K405 WeakPolarHBondContact O-CB 3.06Å; I401-K405 PolarHBondContact O-N 3.33Å
402	I	90.1	Very high	84.8	Confident	33 Å²	33	45.8 Å²	45.8	17%	0.169	24%	0.239	C	C	.	.	H	α-helix	trans	-59.6	-52.7	178.3	-68.1	166.8	0	0	0	109.8	I398 W399 Y400 R404 K405 E406 E471 F474	I398-I402 HydrophobicContact CG2-CD1 4Å; I398-I402 HydrophobicContact CG2-CG1 4.41Å; I398-I402 WeakPolarHBondContact O-CG1 3.47Å; I398-I402 PolarHBondContact O-N 3.38Å; W399-I402 PolarHBondContact O-N 3.08Å; Y400-I402 VanDerWaalsContact C-N 3.31Å; Y400-I402 PolarHBondContact O-N 3.43Å; I402-R404 VanDerWaalsContact C-N 3.29Å; I402-R404 PolarHBondContact O-N 2.92Å; I402-K405 PolarHBondContact O-N 3.13Å; I402-E406 WeakPolarHBondContact O-CG 3.48Å; I402-E406 PolarHBondContact O-N 3.24Å; I402-E471 HydrophobicContact CG2-CG 4.24Å; I402-F474 HydrophobicContact CD1-CB 3.84Å; I402-F474 HydrophobicContact CD1-CD1 3.97Å; I402-F474 HydrophobicContact CD1-CD2 3.68Å; I402-F474 HydrophobicContact CD1-CE1 4.37Å; I402-F474 HydrophobicContact CD1-CE2 4.16Å; I402-F474 HydrophobicContact CD1-CG 3.55Å; I402-F474 HydrophobicContact CD1-CZ 4.45Å
403	G	88.1	Confident	83.1	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-61.2	-36.9	179.2	0	0	0	0	0	113	W399 Y400 I407	W399-G403 PolarHBondContact O-N 3.07Å; W399-G403 VanDerWaalsContact O-N 3.17Å; Y400-G403 PolarHBondContact O-N 3.36Å; G403-I407 WeakPolarHBondContact O-CG1 3.12Å; G403-I407 PolarHBondContact O-N 3.27Å
404	R	84	Confident	81.6	Confident	51 Å²	51	54.4 Å²	54.4	19%	0.192	29%	0.291	C	S	.	.	H	α-helix	trans	-67.2	-44.7	175.9	-75.7	-62	-52.9	-135.4	-3.1	113.2	Y400 I401 I402 E406 I407 E408 L420	Y400-R404 HydrophobicContact CD1-CG 4.08Å; Y400-R404 HydrophobicContact CD2-CG 4.4Å; Y400-R404 HydrophobicContact CE1-CG 3.63Å; Y400-R404 HydrophobicContact CE2-CG 3.98Å; Y400-R404 HydrophobicContact CG-CG 4.45Å; Y400-R404 WeakPolarHBondContact O-CB 3.25Å; Y400-R404 WeakPolarHBondContact O-CG 3.09Å; Y400-R404 PolarHBondContact O-N 3.08Å; I401-R404 PolarHBondContact O-N 2.87Å; I402-R404 VanDerWaalsContact C-N 3.29Å; I402-R404 PolarHBondContact O-N 2.92Å; R404-E406 VanDerWaalsContact C-N 3.31Å; R404-E406 PolarHBondContact O-N 3.45Å; R404-I407 WeakPolarHBondContact O-CB 3.49Å; R404-I407 PolarHBondContact O-N 3.3Å; R404-E408 IonicContact NE-OE1 3.97Å; R404-E408 IonicContact NH2-OE1 3.39Å; R404-E408 PolarHBondContact NH2-OE1 2.97Å; R404-E408 WeakPolarHBondContact O-CG 3.43Å; R404-E408 PolarHBondContact O-N 3.03Å; R404-E408 VanDerWaalsContact O-N 3.11Å; R404-L420 HydrophobicContact CG-CD2 4.12Å
405	K	84	Confident	80.2	Confident	137 Å²	137	54.6 Å²	54.6	60%	0.596	29%	0.292	S	S	*	.	H	α-helix	trans	-65.7	-35.4	177.5	-78.9	-171.4	175.2	-176.2	0	112.2	I401 I402 E408 S409	I401-K405 HydrophobicContact CG2-CD 4.17Å; I401-K405 HydrophobicContact CG2-CG 4.3Å; I401-K405 WeakPolarHBondContact O-CB 3.06Å; I401-K405 PolarHBondContact O-N 3.33Å; I402-K405 PolarHBondContact O-N 3.13Å; K405-E408 PolarHBondContact O-N 3.48Å; K405-S409 WeakPolarHBondContact O-CB 3.45Å; K405-S409 PolarHBondContact O-N 3.38Å; K405-S409 PolarHBondContact O-OG 3.09Å
406	E	83.3	Confident	78.9	Confident	42 Å²	42	57.8 Å²	57.8	20%	0.196	31%	0.31	C	S	.	.	H	α-helix	trans	-64.7	-41.6	175.1	-73.5	-177.6	165.5	0	0	111.5	I402 R404 E408 S409 T468	I402-E406 WeakPolarHBondContact O-CG 3.48Å; I402-E406 PolarHBondContact O-N 3.24Å; R404-E406 VanDerWaalsContact C-N 3.31Å; R404-E406 PolarHBondContact O-N 3.45Å; E406-E408 VanDerWaalsContact C-N 3.3Å; E406-E408 PolarHBondContact O-N 2.77Å; E406-S409 PolarHBondContact O-N 3.19Å; E406-S409 PolarHBondContact O-OG 3.09Å; E406-T468 WeakPolarHBondContact OE1-CB 3.33Å; E406-T468 PolarHBondContact OE1-OG1 3.28Å
407	I	78.8	Confident	78.2	Confident	6 Å²	6	61.9 Å²	61.9	3%	0.031	33%	0.33	C	S	.	.	H	α-helix	trans	-58	-41.9	171.6	-68.4	166.8	0	0	0	111.5	G403 R404 W415 L420 Q421 Y431	G403-I407 WeakPolarHBondContact O-CG1 3.12Å; G403-I407 PolarHBondContact O-N 3.27Å; R404-I407 WeakPolarHBondContact O-CB 3.49Å; R404-I407 PolarHBondContact O-N 3.3Å; I407-W415 HydrophobicContact CG2-CZ3 4.22Å; I407-L420 HydrophobicContact CD1-CB 4.29Å; I407-L420 HydrophobicContact CD1-CD2 3.64Å; I407-L420 HydrophobicContact CD1-CG 4.05Å; I407-Q421 HydrophobicContact CG1-CG 4.27Å; I407-Y431 HydrophobicContact CD1-CD2 4.46Å; I407-Y431 HydrophobicContact CD1-CE2 4.03Å
408	E	75.9	Confident	77.8	Confident	100 Å²	100	61.8 Å²	61.8	47%	0.467	33%	0.33	S	S	.	.	H	α-helix	trans	-74.9	-36.2	-177.3	-72.4	167.1	-162.3	0	0	113	H266 R404 K405 E406 S410	H266-E408 IonicContact CD2-OE1 3.97Å; R404-E408 IonicContact NE-OE1 3.97Å; R404-E408 IonicContact NH2-OE1 3.39Å; R404-E408 PolarHBondContact NH2-OE1 2.97Å; R404-E408 WeakPolarHBondContact O-CG 3.43Å; R404-E408 PolarHBondContact O-N 3.03Å; R404-E408 VanDerWaalsContact O-N 3.11Å; K405-E408 PolarHBondContact O-N 3.48Å; E406-E408 VanDerWaalsContact C-N 3.3Å; E406-E408 PolarHBondContact O-N 2.77Å; E408-S410 PolarHBondContact O-N 3.03Å; E408-S410 VanDerWaalsContact O-N 3.08Å; E408-S410 PolarHBondContact O-OG 2.79Å
409	S	72.3	Confident	77.7	Confident	74 Å²	74	58.5 Å²	58.5	52%	0.517	31%	0.313	S	S	.	.	H	α-helix	trans	-63.5	-14.8	-176	67.6	0	0	0	0	115.1	K405 E406 D411	K405-S409 WeakPolarHBondContact O-CB 3.45Å; K405-S409 PolarHBondContact O-N 3.38Å; K405-S409 PolarHBondContact O-OG 3.09Å; E406-S409 PolarHBondContact O-N 3.19Å; E406-S409 PolarHBondContact O-OG 3.09Å; S409-D411 PolarHBondContact O-N 3.05Å
410	S	61.4	Low	77.4	Confident	55 Å²	55	58.5 Å²	58.5	39%	0.385	31%	0.313	S	S	.	.			trans	60.3	33.7	165.5	-59	0	0	0	0	115.9	E408 P412	E408-S410 PolarHBondContact O-N 3.03Å; E408-S410 VanDerWaalsContact O-N 3.08Å; E408-S410 PolarHBondContact O-OG 2.79Å; S410-P412 WeakPolarHBondContact O-CD 3.28Å
411	D	65.1	Low	77.1	Confident	99 Å²	99	58.4 Å²	58.4	53%	0.529	31%	0.313	S	S	.	.			trans	-75.9	118.6	171.3	-94.9	-28.1	0	0	0	111.2	S409 V413 T414 W415	S409-D411 PolarHBondContact O-N 3.05Å; D411-V413 PolarHBondContact O-N 3.04Å; D411-V413 VanDerWaalsContact O-N 3.13Å; D411-T414 VanDerWaalsContact CB-OG1 3.24Å; D411-T414 WeakPolarHBondContact CB-OG1 3.37Å; D411-T414 PolarHBondContact O-N 3.28Å; D411-W415 PolarHBondContact O-N 2.98Å
412	P	61.2	Low	77	Confident	118 Å²	118	57.7 Å²	57.7	77%	0.766	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-11.9	-173.1	24.5	-31.8	0	0	0	114.6	S410	S410-P412 WeakPolarHBondContact O-CD 3.28Å
413	V	60.2	Low	76.9	Confident	125 Å²	125	57 Å²	57	76%	0.758	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-30.9	-178.8	-178.6	0	0	0	0	112.3	D411	D411-V413 PolarHBondContact O-N 3.04Å; D411-V413 VanDerWaalsContact O-N 3.13Å
414	T	62	Low	76.8	Confident	63 Å²	63	57 Å²	57	39%	0.387	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-7	-175	50.3	0	0	0	0	113.5	D411 D416 I417	D411-T414 VanDerWaalsContact CB-OG1 3.24Å; D411-T414 WeakPolarHBondContact CB-OG1 3.37Å; D411-T414 PolarHBondContact O-N 3.28Å; T414-D416 VanDerWaalsContact C-N 3.3Å; T414-D416 PolarHBondContact O-N 3.37Å; T414-D416 VanDerWaalsContact O-N 3.15Å; T414-I417 PolarHBondContact O-N 3.06Å
415	W	64.9	Low	76.9	Confident	71 Å²	71	59.1 Å²	59.1	27%	0.269	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.3	-41.7	-176.7	165.5	-95.5	0	0	0	115.2	I407 D411 Q421 R434	I407-W415 HydrophobicContact CG2-CZ3 4.22Å; D411-W415 PolarHBondContact O-N 2.98Å; W415-Q421 PolarHBondContact O-NE2 3.32Å; W415-R434 HydrophobicContact CH2-CB 4.38Å; W415-R434 HydrophobicContact CH2-CG 4.05Å; W415-R434 HydrophobicContact CZ3-CB 4.47Å; W415-R434 HydrophobicContact CZ3-CG 4.03Å
416	D	68.9	Low	77.1	Confident	95 Å²	95	59.5 Å²	59.5	51%	0.508	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-4.5	-172	-97	-39.9	0	0	0	115	T414 K425	T414-D416 VanDerWaalsContact C-N 3.3Å; T414-D416 PolarHBondContact O-N 3.37Å; T414-D416 VanDerWaalsContact O-N 3.15Å; D416-K425 PolarHBondContact O-NZ 3.05Å; D416-K425 VanDerWaalsContact O-NZ 3.11Å; D416-K425 IonicContact OD1-NZ 3.74Å; D416-K425 PolarHBondContact OD1-NZ 3.46Å
417	I	79.6	Confident	77.2	Confident	85 Å²	85	61 Å²	61	44%	0.436	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	-20.1	-164.6	-34.5	178.7	0	0	0	112.1	T414 N467	T414-I417 PolarHBondContact O-N 3.06Å; I417-N467 HydrophobicContact CG2-CB 3.71Å; I417-N467 VanDerWaalsContact O-CB 3.23Å; I417-N467 WeakPolarHBondContact O-CB 3.29Å; I417-N467 PolarHBondContact O-ND2 3.09Å
418	G	85.9	Confident	77.5	Confident	1 Å²	1	69.2 Å²	69.2	1%	0.01	36%	0.362	C	S	.	.	S	Bend	trans	-59.3	148.2	179.7	0	0	0	0	0	113.6	L420 Q421 D422 E471	G418-L420 VanDerWaalsContact C-N 3.29Å; G418-L420 PolarHBondContact O-N 3.14Å; G418-Q421 PolarHBondContact O-N 2.87Å; G418-D422 PolarHBondContact O-N 2.85Å; G418-E471 WeakPolarHBondContact CA-OE1 3.42Å
419	W	90.1	Very high	78	Confident	3 Å²	3	67.3 Å²	67.3	1%	0.011	36%	0.357	C	S	.	.	H	α-helix	trans	-62.6	-35	-172.5	80.1	-96.3	0	0	0	113	W399 Y400 D422 L423 S448 V464 E471	W399-W419 AromaticContact CD1-CE2 3.52Å; W399-W419 AromaticContact CD1-CH2 3.78Å; W399-W419 AromaticContact CD1-CZ2 3.37Å; W399-W419 AromaticContact CD1-NE1 3.94Å; W399-W419 AromaticContact CD2-NE1 3.83Å; W399-W419 AromaticContact CE2-CD1 3.53Å; W399-W419 AromaticContact CE2-CD2 3.62Å; W399-W419 AromaticContact CE2-CE2 3.58Å; W399-W419 AromaticContact CE2-CG 3.62Å; W399-W419 AromaticContact CE2-NE1 3.48Å; W399-W419 HydrophobicContact CG-CZ2 4.19Å; W399-W419 HydrophobicContact CH2-CB 4.37Å; W399-W419 AromaticContact CH2-CD1 3.84Å; W399-W419 HydrophobicContact CH2-CG 4.13Å; W399-W419 HydrophobicContact CZ2-CB 3.69Å; W399-W419 AromaticContact CZ2-CD1 3.35Å; W399-W419 AromaticContact CZ2-CD2 3.81Å; W399-W419 HydrophobicContact CZ2-CD2 3.81Å; W399-W419 AromaticContact CZ2-CG 3.32Å; W399-W419 HydrophobicContact CZ2-CG 3.32Å; W399-W419 AromaticContact CZ2-NE1 3.83Å; W399-W419 AromaticContact NE1-CD1 3.9Å; W399-W419 AromaticContact NE1-CD2 3.2Å; W399-W419 AromaticContact NE1-CE2 3.12Å; W399-W419 AromaticContact NE1-CE3 3.54Å; W399-W419 AromaticContact NE1-CG 3.75Å; W399-W419 AromaticContact NE1-CH2 3.77Å; W399-W419 AromaticContact NE1-CZ2 3.43Å; W399-W419 AromaticContact NE1-CZ3 3.8Å; W399-W419 AromaticContact NE1-NE1 3.53Å; W399-W419 PolarHBondContact O-NE1 3.19Å; Y400-W419 HydrophobicContact CD2-CZ2 4.47Å; W419-D422 PolarHBondContact O-N 3.41Å; W419-L423 HydrophobicContact CZ3-CD2 3.86Å; W419-L423 WeakPolarHBondContact O-CB 3.41Å; W419-L423 PolarHBondContact O-N 3Å; W419-S448 WeakPolarHBondContact CH2-OG 3.26Å; W419-V464 HydrophobicContact CB-CG1 4.5Å; W419-V464 HydrophobicContact CD2-CG1 4.37Å; W419-V464 HydrophobicContact CE3-CG1 3.71Å; W419-V464 HydrophobicContact CZ3-CG1 4.36Å; W419-E471 WeakPolarHBondContact CB-OE1 3.38Å; W419-E471 PolarHBondContact N-OE1 3.33Å
420	L	88.4	Confident	78.4	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-74.2	-33.3	-176.2	-174.1	56.7	0	0	0	111.2	Y400 R404 I407 G418 L423 G424 Y431 P439 A444	Y400-L420 HydrophobicContact CD2-CD2 4.37Å; Y400-L420 HydrophobicContact CE2-CD1 4.41Å; Y400-L420 HydrophobicContact CE2-CD2 4.01Å; R404-L420 HydrophobicContact CG-CD2 4.12Å; I407-L420 HydrophobicContact CD1-CB 4.29Å; I407-L420 HydrophobicContact CD1-CD2 3.64Å; I407-L420 HydrophobicContact CD1-CG 4.05Å; G418-L420 VanDerWaalsContact C-N 3.29Å; G418-L420 PolarHBondContact O-N 3.14Å; L420-L423 HydrophobicContact CD1-CD2 4.43Å; L420-G424 PolarHBondContact O-N 3.17Å; L420-G424 VanDerWaalsContact O-N 3.09Å; L420-Y431 HydrophobicContact CG-CE2 4.03Å; L420-P439 HydrophobicContact CD1-CG 4.03Å; L420-A444 HydrophobicContact CD1-CB 4.39Å
421	Q	85	Confident	79.2	Confident	11 Å²	11	66 Å²	66	5%	0.051	34%	0.341	C	S	.	.	H	α-helix	trans	-71.7	-43.1	172.3	-66.7	89.9	-48.6	0	0	111.3	I407 W415 G418 L423 G424 K425 Y431	I407-Q421 HydrophobicContact CG1-CG 4.27Å; W415-Q421 PolarHBondContact O-NE2 3.32Å; G418-Q421 PolarHBondContact O-N 2.87Å; Q421-L423 VanDerWaalsContact C-N 3.29Å; Q421-L423 PolarHBondContact O-N 3.32Å; Q421-G424 PolarHBondContact O-N 3.1Å; Q421-K425 WeakPolarHBondContact O-CG 3.3Å; Q421-K425 PolarHBondContact O-N 3.18Å; Q421-Y431 HydrophobicContact CG-CD2 4.38Å
422	D	87.3	Confident	79.3	Confident	42 Å²	42	66 Å²	66	23%	0.225	34%	0.34	C	S	.	.	H	α-helix	trans	-59.6	-41.6	174	-172.2	51.4	0	0	0	111.2	G418 W419 G424 K425 R426	G418-D422 PolarHBondContact O-N 2.85Å; W419-D422 PolarHBondContact O-N 3.41Å; D422-G424 PolarHBondContact O-N 2.84Å; D422-K425 PolarHBondContact O-N 2.96Å; D422-R426 WeakPolarHBondContact O-CG 3.43Å; D422-R426 PolarHBondContact O-N 3.33Å; D422-R426 IonicContact OD1-NE 3.74Å; D422-R426 IonicContact OD2-CZ 2.83Å; D422-R426 VanDerWaalsContact OD2-CZ 3.24Å; D422-R426 IonicContact OD2-NE 2.67Å; D422-R426 PolarHBondContact OD2-NE 3.23Å; D422-R426 IonicContact OD2-NH2 3.93Å; D422-R426 PolarHBondContact OD2-NH2 3.07Å
423	L	89.1	Confident	79.5	Confident	18 Å²	18	67 Å²	67	9%	0.094	34%	0.339	C	S	.	.	H	α-helix	trans	-60.4	-45.9	173.9	-179.6	65.8	0	0	0	112.1	W419 L420 Q421 K425 R426 L427 P439 A447	W419-L423 HydrophobicContact CZ3-CD2 3.86Å; W419-L423 WeakPolarHBondContact O-CB 3.41Å; W419-L423 PolarHBondContact O-N 3Å; L420-L423 HydrophobicContact CD1-CD2 4.43Å; Q421-L423 VanDerWaalsContact C-N 3.29Å; Q421-L423 PolarHBondContact O-N 3.32Å; L423-K425 VanDerWaalsContact C-N 3.3Å; L423-K425 PolarHBondContact O-N 2.71Å; L423-R426 PolarHBondContact O-N 2.99Å; L423-L427 HydrophobicContact CD1-CD1 3.71Å; L423-L427 HydrophobicContact CD1-CG 4.15Å; L423-L427 HydrophobicContact CD2-CD1 4.37Å; L423-L427 HydrophobicContact CG-CD1 3.75Å; L423-L427 WeakPolarHBondContact O-CB 3.46Å; L423-L427 WeakPolarHBondContact O-CG 3.42Å; L423-L427 PolarHBondContact O-N 3.22Å; L423-P439 HydrophobicContact CD2-CG 4.35Å; L423-A447 HydrophobicContact CD1-CB 4.13Å; L423-A447 HydrophobicContact CD2-CB 3.46Å; L423-A447 VanDerWaalsContact CD2-CB 3.46Å; L423-A447 HydrophobicContact CG-CB 4.46Å
424	G	86.3	Confident	79.5	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-60.7	-37.6	176.9	0	0	0	0	0	112.9	L420 Q421 D422 E428 T429	L420-G424 PolarHBondContact O-N 3.17Å; L420-G424 VanDerWaalsContact O-N 3.09Å; Q421-G424 PolarHBondContact O-N 3.1Å; D422-G424 PolarHBondContact O-N 2.84Å; G424-E428 PolarHBondContact O-N 3.44Å; G424-T429 CarbonylContact O-C 3.5Å; G424-T429 VanDerWaalsContact O-C 3.24Å; G424-T429 PolarHBondContact O-N 2.96Å
425	K	86.1	Confident	79.6	Confident	97 Å²	97	71.3 Å²	71.3	42%	0.422	35%	0.348	S	S	.	.	H	α-helix	trans	-64.2	-46.2	174.2	-70.6	171.5	-176.3	173.2	0	111.5	D416 Q421 D422 L423 L427 E428	D416-K425 PolarHBondContact O-NZ 3.05Å; D416-K425 VanDerWaalsContact O-NZ 3.11Å; D416-K425 IonicContact OD1-NZ 3.74Å; D416-K425 PolarHBondContact OD1-NZ 3.46Å; Q421-K425 WeakPolarHBondContact O-CG 3.3Å; Q421-K425 PolarHBondContact O-N 3.18Å; D422-K425 PolarHBondContact O-N 2.96Å; L423-K425 VanDerWaalsContact C-N 3.3Å; L423-K425 PolarHBondContact O-N 2.71Å; K425-L427 VanDerWaalsContact C-N 3.32Å; K425-L427 PolarHBondContact O-N 3.48Å; K425-E428 PolarHBondContact O-N 3.07Å
426	R	86.6	Confident	79.5	Confident	144 Å²	144	73.1 Å²	73.1	54%	0.543	36%	0.362	S	S	.	.	H	α-helix	trans	-66.6	-30.9	179.6	-68.5	176	-168.9	-129.7	8	113.7	D422 L423 E428 N463	D422-R426 WeakPolarHBondContact O-CG 3.43Å; D422-R426 PolarHBondContact O-N 3.33Å; D422-R426 IonicContact OD1-NE 3.74Å; D422-R426 IonicContact OD2-CZ 2.83Å; D422-R426 VanDerWaalsContact OD2-CZ 3.24Å; D422-R426 IonicContact OD2-NE 2.67Å; D422-R426 PolarHBondContact OD2-NE 3.23Å; D422-R426 IonicContact OD2-NH2 3.93Å; D422-R426 PolarHBondContact OD2-NH2 3.07Å; L423-R426 PolarHBondContact O-N 2.99Å; R426-E428 VanDerWaalsContact C-N 3.31Å; R426-N463 PolarHBondContact NH1-O 3.22Å
427	L	86.7	Confident	79.5	Confident	74 Å²	74	71.1 Å²	71.1	39%	0.387	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	9.4	178.9	-70.6	171.3	0	0	0	113.5	L423 K425 T429 P439 S443	L423-L427 HydrophobicContact CD1-CD1 3.71Å; L423-L427 HydrophobicContact CD1-CG 4.15Å; L423-L427 HydrophobicContact CD2-CD1 4.37Å; L423-L427 HydrophobicContact CG-CD1 3.75Å; L423-L427 WeakPolarHBondContact O-CB 3.46Å; L423-L427 WeakPolarHBondContact O-CG 3.42Å; L423-L427 PolarHBondContact O-N 3.22Å; K425-L427 VanDerWaalsContact C-N 3.32Å; K425-L427 PolarHBondContact O-N 3.48Å; L427-T429 WeakPolarHBondContact CB-OG1 3.37Å; L427-T429 PolarHBondContact O-N 3.36Å; L427-T429 PolarHBondContact O-OG1 3.29Å; L427-P439 HydrophobicContact CD1-CB 3.94Å; L427-S443 VanDerWaalsContact CD1-OG 3.25Å; L427-S443 WeakPolarHBondContact CD1-OG 3.33Å
428	E	84.8	Confident	79.6	Confident	178 Å²	178	67.9 Å²	67.9	83%	0.832	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	25.4	-177.2	-57.2	-177.5	170.8	0	0	113.6	G424 K425 R426 P430	G424-E428 PolarHBondContact O-N 3.44Å; K425-E428 PolarHBondContact O-N 3.07Å; R426-E428 VanDerWaalsContact C-N 3.31Å; E428-P430 WeakPolarHBondContact O-CD 3.44Å
429	T	85.3	Confident	79.5	Confident	60 Å²	60	68.5 Å²	68.5	37%	0.368	36%	0.355	S	S	.	.			trans	-126.6	62.5	179.1	43.5	0	0	0	0	110	G424 L427 G438	G424-T429 CarbonylContact O-C 3.5Å; G424-T429 VanDerWaalsContact O-C 3.24Å; G424-T429 PolarHBondContact O-N 2.96Å; L427-T429 WeakPolarHBondContact CB-OG1 3.37Å; L427-T429 PolarHBondContact O-N 3.36Å; L427-T429 PolarHBondContact O-OG1 3.29Å; T429-G438 CarbonylContact O-C 3.54Å; T429-G438 WeakPolarHBondContact O-CA 3.37Å; T429-G438 PolarHBondContact O-N 3.03Å
430	P	81.3	Confident	79.3	Confident	64 Å²	64	71.8 Å²	71.8	42%	0.416	38%	0.379	S	S	.	.			trans	-67.8	155.5	-176	29.9	-35.8	0	0	0	111.9	E428 G438	E428-P430 WeakPolarHBondContact O-CD 3.44Å; P430-G438 PolarHBondContact O-N 3.35Å
431	Y	77.8	Confident	79.1	Confident	37 Å²	37	75 Å²	75	15%	0.145	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	126	168.9	-71.4	-82.4	0	0	0	110	I407 L420 Q421 G437	I407-Y431 HydrophobicContact CD1-CD2 4.46Å; I407-Y431 HydrophobicContact CD1-CE2 4.03Å; L420-Y431 HydrophobicContact CG-CE2 4.03Å; Q421-Y431 HydrophobicContact CG-CD2 4.38Å; Y431-G437 WeakPolarHBondContact CD1-O 3Å; Y431-G437 WeakPolarHBondContact CE1-O 3.08Å
432	I	67.9	Low	79.2	Confident	101 Å²	101	78.4 Å²	78.4	52%	0.518	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	123.9	177.2	-55	173.5	0	0	0	107.5	R434 I436	I432-R434 PolarHBondContact O-N 3.39Å; I432-I436 CarbonylContact C-O 3.57Å; I432-I436 WeakPolarHBondContact CA-O 3.37Å; I432-I436 PolarHBondContact N-O 2.89Å; I432-I436 WeakPolarHBondContact O-CB 3.34Å; I432-I436 PolarHBondContact O-N 3.07Å
433	N	64.4	Low	79.3	Confident	137 Å²	137	78 Å²	78	73%	0.733	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.4	53.9	178.1	-68.2	-17.2	0	0	0	114.8	T435	N433-T435 PolarHBondContact O-N 3.2Å
434	R	61.1	Low	79.3	Confident	158 Å²	158	77.1 Å²	77.1	60%	0.596	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.5	-28.4	166.7	-54.5	179	-177.1	178.3	-0.7	117.5	W415 I432	W415-R434 HydrophobicContact CH2-CB 4.38Å; W415-R434 HydrophobicContact CH2-CG 4.05Å; W415-R434 HydrophobicContact CZ3-CB 4.47Å; W415-R434 HydrophobicContact CZ3-CG 4.03Å; I432-R434 PolarHBondContact O-N 3.39Å
435	T	63.6	Low	79.7	Confident	121 Å²	121	79.5 Å²	79.5	74%	0.742	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139	-7.4	-174.4	54.9	0	0	0	0	114.7	N433	N433-T435 PolarHBondContact O-N 3.2Å
436	I	64.4	Low	80	Confident	109 Å²	109	80.2 Å²	80.2	56%	0.559	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.8	130.6	-174.5	-54.4	171.2	0	0	0	108.7	I432	I432-I436 CarbonylContact C-O 3.57Å; I432-I436 WeakPolarHBondContact CA-O 3.37Å; I432-I436 PolarHBondContact N-O 2.89Å; I432-I436 WeakPolarHBondContact O-CB 3.34Å; I432-I436 PolarHBondContact O-N 3.07Å
437	G	68.9	Low	80.4	Confident	54 Å²	54	73.9 Å²	73.9	56%	0.557	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	85.5	-162.9	-174.4	0	0	0	0	0	113.5	Y431	Y431-G437 WeakPolarHBondContact CD1-O 3Å; Y431-G437 WeakPolarHBondContact CE1-O 3.08Å
438	G	79.9	Confident	80.8	Confident	16 Å²	16	70.4 Å²	70.4	17%	0.165	39%	0.391	C	S	.	.			trans	101.9	168.8	-172.7	0	0	0	0	0	114.6	T429 P430	T429-G438 CarbonylContact O-C 3.54Å; T429-G438 WeakPolarHBondContact O-CA 3.37Å; T429-G438 PolarHBondContact O-N 3.03Å; P430-G438 PolarHBondContact O-N 3.35Å
439	P	84.8	Confident	81.3	Confident	14 Å²	14	63.8 Å²	63.8	9%	0.091	36%	0.361	C	S	.	.			trans	-64.4	147.6	178.1	26.6	-34.6	0	0	0	111.7	L420 L423 L427 A444	L420-P439 HydrophobicContact CD1-CG 4.03Å; L423-P439 HydrophobicContact CD2-CG 4.35Å; L427-P439 HydrophobicContact CD1-CB 3.94Å; P439-A444 HydrophobicContact CG-CB 4.45Å
440	S	85.4	Confident	81.7	Confident	73 Å²	73	64.5 Å²	64.5	51%	0.51	36%	0.358	S	S	.	.			trans	-59.9	148.9	175.6	67.3	0	0	0	0	111.8	P442 S443 A444	S440-P442 VanDerWaalsContact C-CD 3.47Å; S440-P442 VanDerWaalsContact C-N 3.33Å; S440-S443 WeakPolarHBondContact O-CA 3.43Å; S440-S443 WeakPolarHBondContact O-CB 3.35Å; S440-S443 PolarHBondContact O-N 3.46Å; S440-S443 VanDerWaalsContact OG-CB 3.31Å; S440-S443 WeakPolarHBondContact OG-CB 3.33Å; S440-S443 PolarHBondContact OG-N 2.91Å; S440-A444 PolarHBondContact O-N 3.35Å
441	I	83.6	Confident	82.4	Confident	67 Å²	67	62 Å²	62	34%	0.344	34%	0.34	S	S	.	.	H	α-helix	trans	-51.5	-45.2	179.1	-63.1	170.9	0	0	0	112.5	F263 S443 A444 Y445	F263-I441 HydrophobicContact CB-CG2 4.05Å; F263-I441 HydrophobicContact CD1-CG2 4Å; F263-I441 HydrophobicContact CG-CG2 4.39Å; I441-S443 VanDerWaalsContact C-N 3.32Å; I441-S443 PolarHBondContact O-N 2.76Å; I441-A444 PolarHBondContact O-N 3.36Å; I441-Y445 WeakPolarHBondContact O-CB 3.41Å; I441-Y445 PolarHBondContact O-N 2.88Å
442	P	87.9	Confident	83.2	Confident	83 Å²	83	60.2 Å²	60.2	54%	0.539	33%	0.333	S	S	.	.	H	α-helix	trans	-61.2	-40.5	175.9	-23	34.9	0	0	0	112.6	S440 Y445 I446	S440-P442 VanDerWaalsContact C-CD 3.47Å; S440-P442 VanDerWaalsContact C-N 3.33Å; P442-Y445 PolarHBondContact O-N 3.21Å; P442-I446 WeakPolarHBondContact O-CB 3.24Å; P442-I446 WeakPolarHBondContact O-CD1 3.45Å; P442-I446 WeakPolarHBondContact O-CG1 3.27Å; P442-I446 PolarHBondContact O-N 3.34Å
443	S	89.6	Confident	84.5	Confident	32 Å²	32	58.5 Å²	58.5	22%	0.224	33%	0.325	C	S	.	.	H	α-helix	trans	-66.9	-45.1	179.1	-178.6	0	0	0	0	111.8	L427 S440 I441 Y445 I446 A447	L427-S443 VanDerWaalsContact CD1-OG 3.25Å; L427-S443 WeakPolarHBondContact CD1-OG 3.33Å; S440-S443 WeakPolarHBondContact O-CA 3.43Å; S440-S443 WeakPolarHBondContact O-CB 3.35Å; S440-S443 PolarHBondContact O-N 3.46Å; S440-S443 VanDerWaalsContact OG-CB 3.31Å; S440-S443 WeakPolarHBondContact OG-CB 3.33Å; S440-S443 PolarHBondContact OG-N 2.91Å; I441-S443 VanDerWaalsContact C-N 3.32Å; I441-S443 PolarHBondContact O-N 2.76Å; S443-Y445 PolarHBondContact O-N 2.86Å; S443-I446 PolarHBondContact O-N 2.92Å; S443-A447 VanDerWaalsContact O-CB 3.31Å; S443-A447 WeakPolarHBondContact O-CB 3.29Å; S443-A447 PolarHBondContact O-N 3.49Å
444	A	90.1	Very high	85.9	Confident	1 Å²	1	52.3 Å²	52.3	1%	0.008	29%	0.293	C	S	.	.	H	α-helix	trans	-63.2	-40.5	176.5	0	0	0	0	0	112.2	Y400 L420 P439 S440 I441 S448	Y400-A444 HydrophobicContact CD2-CB 4.29Å; Y400-A444 HydrophobicContact CE2-CB 3.91Å; L420-A444 HydrophobicContact CD1-CB 4.39Å; P439-A444 HydrophobicContact CG-CB 4.45Å; S440-A444 PolarHBondContact O-N 3.35Å; I441-A444 PolarHBondContact O-N 3.36Å; A444-S448 WeakPolarHBondContact O-CB 3.47Å; A444-S448 PolarHBondContact O-N 3.41Å; A444-S448 PolarHBondContact O-OG 3.41Å
445	Y	93	Very high	87.4	Confident	49 Å²	49	45.7 Å²	45.7	19%	0.192	27%	0.271	C	S	.	.	H	α-helix	trans	-63.8	-49	175	174.2	-106.7	0	0	0	111.9	F259 F263 H393 I441 P442 S443 A447 S448 L449	F259-Y445 AromaticContact CD2-CD2 3.97Å; F259-Y445 HydrophobicContact CD2-CD2 3.97Å; F259-Y445 HydrophobicContact CD2-CE2 4.05Å; F259-Y445 HydrophobicContact CD2-CG 4.5Å; F259-Y445 AromaticContact CE2-CD2 3.97Å; F259-Y445 HydrophobicContact CE2-CD2 3.97Å; F259-Y445 HydrophobicContact CE2-CE2 4.41Å; F259-Y445 HydrophobicContact CE2-CG 4.07Å; F263-Y445 HydrophobicContact CD2-CD2 4.44Å; F263-Y445 HydrophobicContact CE1-CD2 4.45Å; F263-Y445 AromaticContact CE2-CD2 3.74Å; F263-Y445 HydrophobicContact CE2-CD2 3.74Å; F263-Y445 AromaticContact CZ-CD2 3.75Å; F263-Y445 HydrophobicContact CZ-CD2 3.75Å; F263-Y445 HydrophobicContact CZ-CG 4.39Å; H393-Y445 AromaticContact CE1-CE2 3.72Å; H393-Y445 AromaticContact ND1-CE2 3.52Å; H393-Y445 AromaticContact ND1-CZ 3.69Å; H393-Y445 PolarHBondContact ND1-OH 3.38Å; I441-Y445 WeakPolarHBondContact O-CB 3.41Å; I441-Y445 PolarHBondContact O-N 2.88Å; P442-Y445 PolarHBondContact O-N 3.21Å; S443-Y445 PolarHBondContact O-N 2.86Å; Y445-A447 VanDerWaalsContact C-N 3.33Å; Y445-A447 PolarHBondContact O-N 3.44Å; Y445-S448 PolarHBondContact O-N 2.84Å; Y445-L449 HydrophobicContact CE1-CD2 4.29Å; Y445-L449 WeakPolarHBondContact O-CB 3.39Å; Y445-L449 PolarHBondContact O-N 2.89Å
446	I	93.9	Very high	88.8	Confident	112 Å²	112	40.1 Å²	40.1	57%	0.574	24%	0.236	S	C	*	.	H	α-helix	trans	-61.7	-42.9	179.3	-69.4	165.6	0	0	0	110.6	P442 S443 L449 Y450	P442-I446 WeakPolarHBondContact O-CB 3.24Å; P442-I446 WeakPolarHBondContact O-CD1 3.45Å; P442-I446 WeakPolarHBondContact O-CG1 3.27Å; P442-I446 PolarHBondContact O-N 3.34Å; S443-I446 PolarHBondContact O-N 2.92Å; I446-L449 PolarHBondContact O-N 3.05Å; I446-Y450 WeakPolarHBondContact O-CB 3.48Å; I446-Y450 PolarHBondContact O-N 2.91Å
447	A	94	Very high	90.1	Very high	12 Å²	12	37.3 Å²	37.3	10%	0.099	22%	0.224	C	C	.	.	H	α-helix	trans	-64.2	-40.6	177.4	0	0	0	0	0	112.4	L423 S443 Y445 Y450 F451	L423-A447 HydrophobicContact CD1-CB 4.13Å; L423-A447 HydrophobicContact CD2-CB 3.46Å; L423-A447 VanDerWaalsContact CD2-CB 3.46Å; L423-A447 HydrophobicContact CG-CB 4.46Å; S443-A447 VanDerWaalsContact O-CB 3.31Å; S443-A447 WeakPolarHBondContact O-CB 3.29Å; S443-A447 PolarHBondContact O-N 3.49Å; Y445-A447 VanDerWaalsContact C-N 3.33Å; Y445-A447 PolarHBondContact O-N 3.44Å; A447-Y450 PolarHBondContact O-N 3.13Å; A447-F451 WeakPolarHBondContact O-CB 3.29Å; A447-F451 PolarHBondContact O-N 2.91Å
448	S	94.8	Very high	91.1	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-64.7	-43.6	175.4	-55.6	0	0	0	0	112	W419 A444 Y445 F451 T452	W419-S448 WeakPolarHBondContact CH2-OG 3.26Å; A444-S448 WeakPolarHBondContact O-CB 3.47Å; A444-S448 PolarHBondContact O-N 3.41Å; A444-S448 PolarHBondContact O-OG 3.41Å; Y445-S448 PolarHBondContact O-N 2.84Å; S448-F451 PolarHBondContact O-N 2.93Å; S448-T452 WeakPolarHBondContact O-CG2 3.25Å; S448-T452 PolarHBondContact O-N 3.22Å; S448-T452 VanDerWaalsContact O-N 3.08Å; S448-T452 PolarHBondContact O-OG1 3.42Å
449	L	95.3	Very high	91.8	Very high	40 Å²	40	42.4 Å²	42.4	21%	0.209	25%	0.245	C	C	.	.	H	α-helix	trans	-67.6	-39.1	177.7	-172.6	65.6	0	0	0	111.4	A392 A396 Y445 I446 T452 L453	A392-L449 HydrophobicContact CB-CD1 4.32Å; A396-L449 HydrophobicContact CB-CB 4.25Å; A396-L449 HydrophobicContact CB-CD1 4.17Å; Y445-L449 HydrophobicContact CE1-CD2 4.29Å; Y445-L449 WeakPolarHBondContact O-CB 3.39Å; Y445-L449 PolarHBondContact O-N 2.89Å; I446-L449 PolarHBondContact O-N 3.05Å; L449-T452 WeakPolarHBondContact CA-OG1 3.49Å; L449-T452 PolarHBondContact O-N 3.27Å; L449-T452 PolarHBondContact O-OG1 2.53Å; L449-T452 VanDerWaalsContact O-OG1 3.06Å; L449-L453 HydrophobicContact CD1-CD1 4.31Å; L449-L453 HydrophobicContact CD1-CG 4.38Å; L449-L453 HydrophobicContact CD2-CD1 4.47Å; L449-L453 HydrophobicContact CG-CD1 3.92Å; L449-L453 HydrophobicContact CG-CG 4.4Å; L449-L453 VanDerWaalsContact O-CB 3.26Å; L449-L453 WeakPolarHBondContact O-CB 3.35Å; L449-L453 WeakPolarHBondContact O-CG 3.19Å; L449-L453 PolarHBondContact O-N 3.32Å
450	Y	95.1	Very high	92.1	Very high	75 Å²	75	44.1 Å²	44.1	29%	0.294	27%	0.266	S	S	.	.	H	α-helix	trans	-61.1	-47.8	174.7	168.7	-100.1	0	0	0	111.7	I446 A447 T452 S454 F461 N463	I446-Y450 WeakPolarHBondContact O-CB 3.48Å; I446-Y450 PolarHBondContact O-N 2.91Å; A447-Y450 PolarHBondContact O-N 3.13Å; Y450-T452 PolarHBondContact O-N 3.47Å; Y450-S454 VanDerWaalsContact O-CB 3.26Å; Y450-S454 WeakPolarHBondContact O-CB 3.3Å; Y450-S454 PolarHBondContact O-N 2.77Å; Y450-S454 PolarHBondContact O-OG 2.66Å; Y450-F461 AromaticContact CE2-CD2 3.7Å; Y450-F461 HydrophobicContact CE2-CD2 3.7Å; Y450-F461 HydrophobicContact CE2-CE2 4Å; Y450-F461 AromaticContact CZ-CD2 3.58Å; Y450-F461 WeakPolarHBondContact OH-CB 3.42Å; Y450-F461 WeakPolarHBondContact OH-CD2 3.48Å; Y450-F461 VanDerWaalsContact OH-CG 3.22Å; Y450-F461 WeakPolarHBondContact OH-CG 3.29Å; Y450-N463 HydrophobicContact CE1-CB 4.12Å; Y450-N463 PolarHBondContact OH-ND2 3.42Å
451	F	95	Very high	92.3	Very high	10 Å²	10	46.5 Å²	46.5	4%	0.044	27%	0.267	C	S	.	.	H	α-helix	trans	-57.9	-50.9	176.8	171.6	-107.8	0	0	0	111.6	W399 A447 S448 S454 S455 V464 S475	W399-F451 AromaticContact CD1-CD1 3.9Å; W399-F451 AromaticContact CD2-CD1 3.66Å; W399-F451 HydrophobicContact CD2-CD1 3.66Å; W399-F451 AromaticContact CD2-CE1 3.64Å; W399-F451 HydrophobicContact CD2-CE1 3.64Å; W399-F451 AromaticContact CE2-CD1 3.45Å; W399-F451 VanDerWaalsContact CE2-CD1 3.45Å; W399-F451 AromaticContact CE2-CE1 3.6Å; W399-F451 HydrophobicContact CE3-CD1 4.31Å; W399-F451 AromaticContact CE3-CE1 3.81Å; W399-F451 HydrophobicContact CE3-CE1 3.81Å; W399-F451 AromaticContact CG-CD1 3.9Å; W399-F451 HydrophobicContact CG-CD1 3.9Å; W399-F451 HydrophobicContact CG-CE1 4.29Å; W399-F451 HydrophobicContact CH2-CD1 4.47Å; W399-F451 AromaticContact CH2-CE1 3.83Å; W399-F451 HydrophobicContact CH2-CE1 3.83Å; W399-F451 AromaticContact CH2-CZ 3.92Å; W399-F451 HydrophobicContact CH2-CZ 3.92Å; W399-F451 AromaticContact CZ2-CD1 3.91Å; W399-F451 HydrophobicContact CZ2-CD1 3.91Å; W399-F451 AromaticContact CZ2-CE1 3.71Å; W399-F451 HydrophobicContact CZ2-CE1 3.71Å; W399-F451 HydrophobicContact CZ2-CE2 4.4Å; W399-F451 HydrophobicContact CZ2-CG 4.34Å; W399-F451 AromaticContact CZ2-CZ 3.97Å; W399-F451 HydrophobicContact CZ2-CZ 3.97Å; W399-F451 AromaticContact CZ3-CE1 3.88Å; W399-F451 HydrophobicContact CZ3-CE1 3.88Å; W399-F451 HydrophobicContact CZ3-CZ 4.27Å; W399-F451 AromaticContact NE1-CD1 3.61Å; W399-F451 AromaticContact NE1-CG 3.99Å; A447-F451 WeakPolarHBondContact O-CB 3.29Å; A447-F451 PolarHBondContact O-N 2.91Å; S448-F451 PolarHBondContact O-N 2.93Å; F451-S454 PolarHBondContact O-N 3.09Å; F451-S454 PolarHBondContact O-OG 3.18Å; F451-S455 WeakPolarHBondContact O-CB 3.33Å; F451-S455 PolarHBondContact O-N 3Å; F451-S455 PolarHBondContact O-OG 3.39Å; F451-V464 HydrophobicContact CB-CB 4.14Å; F451-V464 HydrophobicContact CB-CG1 3.94Å; F451-V464 HydrophobicContact CD2-CB 4.25Å; F451-V464 HydrophobicContact CD2-CG1 4.07Å; F451-V464 VanDerWaalsContact CD2-O 3.25Å; F451-V464 WeakPolarHBondContact CD2-O 3.42Å; F451-V464 HydrophobicContact CG-CG1 4.1Å; F451-S475 WeakPolarHBondContact CZ-OG 3.49Å
452	T	94.8	Very high	92.4	Very high	0 Å²	0	45 Å²	45	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-68.3	-40.6	-177.3	51.7	0	0	0	0	112.9	A392 M395 A396 W399 S448 L449 Y450 S455 L456 I478	A392-T452 PolarHBondContact O-OG1 3.04Å; M395-T452 HydrophobicContact CB-CG2 3.88Å; A396-T452 HydrophobicContact CB-CG2 4.24Å; W399-T452 HydrophobicContact CB-CG2 4.39Å; S448-T452 WeakPolarHBondContact O-CG2 3.25Å; S448-T452 PolarHBondContact O-N 3.22Å; S448-T452 VanDerWaalsContact O-N 3.08Å; S448-T452 PolarHBondContact O-OG1 3.42Å; L449-T452 WeakPolarHBondContact CA-OG1 3.49Å; L449-T452 PolarHBondContact O-N 3.27Å; L449-T452 PolarHBondContact O-OG1 2.53Å; L449-T452 VanDerWaalsContact O-OG1 3.06Å; Y450-T452 PolarHBondContact O-N 3.47Å; T452-S455 PolarHBondContact O-N 3.33Å; T452-L456 VanDerWaalsContact O-CB 3.29Å; T452-L456 WeakPolarHBondContact O-CB 3.18Å; T452-L456 VanDerWaalsContact O-CG 3.26Å; T452-L456 WeakPolarHBondContact O-CG 3.33Å; T452-L456 PolarHBondContact O-N 3Å; T452-I478 HydrophobicContact CG2-CD1 3.95Å
453	L	94	Very high	92.4	Very high	65 Å²	65	45.4 Å²	45.4	34%	0.34	27%	0.265	S	S	.	.	H	α-helix	trans	-61.8	-45	171.6	-79.1	170.9	0	0	0	111.4	F388 A392 L449 S455 L456 T457	F388-L453 HydrophobicContact CE1-CD2 4.3Å; A392-L453 HydrophobicContact CB-CD2 3.66Å; A392-L453 HydrophobicContact CB-CG 4.08Å; L449-L453 HydrophobicContact CD1-CD1 4.31Å; L449-L453 HydrophobicContact CD1-CG 4.38Å; L449-L453 HydrophobicContact CD2-CD1 4.47Å; L449-L453 HydrophobicContact CG-CD1 3.92Å; L449-L453 HydrophobicContact CG-CG 4.4Å; L449-L453 VanDerWaalsContact O-CB 3.26Å; L449-L453 WeakPolarHBondContact O-CB 3.35Å; L449-L453 WeakPolarHBondContact O-CG 3.19Å; L449-L453 PolarHBondContact O-N 3.32Å; L453-S455 VanDerWaalsContact C-N 3.26Å; L453-S455 PolarHBondContact O-N 3.07Å; L453-L456 PolarHBondContact O-N 3.4Å; L453-T457 VanDerWaalsContact O-CB 3.31Å; L453-T457 WeakPolarHBondContact O-CB 3.09Å; L453-T457 WeakPolarHBondContact O-CG2 3.34Å; L453-T457 PolarHBondContact O-N 3.43Å; L453-T457 PolarHBondContact O-OG1 3.21Å
454	S	94.4	Very high	92.4	Very high	8 Å²	8	44.6 Å²	44.6	6%	0.056	26%	0.259	C	S	.	.	H	α-helix	trans	-63.4	-32.6	179	76.6	0	0	0	0	112.6	Y450 F451 S458 V459 G460	Y450-S454 VanDerWaalsContact O-CB 3.26Å; Y450-S454 WeakPolarHBondContact O-CB 3.3Å; Y450-S454 PolarHBondContact O-N 2.77Å; Y450-S454 PolarHBondContact O-OG 2.66Å; F451-S454 PolarHBondContact O-N 3.09Å; F451-S454 PolarHBondContact O-OG 3.18Å; S454-S458 PolarHBondContact O-N 3.03Å; S454-V459 PolarHBondContact O-N 3.49Å; S454-G460 PolarHBondContact O-N 3.37Å
455	S	93.2	Very high	92.3	Very high	19 Å²	19	47 Å²	47	13%	0.133	28%	0.275	C	S	.	.	H	α-helix	trans	-77.8	-45.4	177	-60.6	0	0	0	0	111.9	F451 T452 L453 T457 S458	F451-S455 WeakPolarHBondContact O-CB 3.33Å; F451-S455 PolarHBondContact O-N 3Å; F451-S455 PolarHBondContact O-OG 3.39Å; T452-S455 PolarHBondContact O-N 3.33Å; L453-S455 VanDerWaalsContact C-N 3.26Å; L453-S455 PolarHBondContact O-N 3.07Å; S455-T457 VanDerWaalsContact C-N 3.3Å; S455-T457 PolarHBondContact O-N 2.74Å; S455-S458 PolarHBondContact O-N 2.95Å; S455-S458 VanDerWaalsContact O-N 3.13Å
456	L	92.1	Very high	92.2	Very high	3 Å²	3	45.7 Å²	45.7	2%	0.016	28%	0.275	C	S	.	.	H	α-helix	trans	-66.3	-31.4	178.4	-74.3	171.8	0	0	0	112.8	F388 A392 T452 L453 S458 I478 I481	F388-L456 HydrophobicContact CE2-CB 3.91Å; F388-L456 HydrophobicContact CE2-CD1 4.47Å; F388-L456 HydrophobicContact CZ-CB 3.93Å; A392-L456 VanDerWaalsContact CA-CD1 3.5Å; A392-L456 HydrophobicContact CB-CD1 3.62Å; T452-L456 VanDerWaalsContact O-CB 3.29Å; T452-L456 WeakPolarHBondContact O-CB 3.18Å; T452-L456 VanDerWaalsContact O-CG 3.26Å; T452-L456 WeakPolarHBondContact O-CG 3.33Å; T452-L456 PolarHBondContact O-N 3Å; L453-L456 PolarHBondContact O-N 3.4Å; L456-S458 VanDerWaalsContact C-N 3.31Å; L456-I478 HydrophobicContact CD2-CG2 3.85Å; L456-I478 HydrophobicContact CG-CG2 3.92Å; L456-I481 HydrophobicContact CD2-CG2 4.48Å
457	T	92.1	Very high	92	Very high	50 Å²	50	43.1 Å²	43.1	31%	0.307	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	3.8	175.6	57.7	0	0	0	0	113.3	F388 L453 S455 V459	F388-T457 HydrophobicContact CE1-CG2 4.26Å; F388-T457 HydrophobicContact CZ-CG2 3.89Å; L453-T457 VanDerWaalsContact O-CB 3.31Å; L453-T457 WeakPolarHBondContact O-CB 3.09Å; L453-T457 WeakPolarHBondContact O-CG2 3.34Å; L453-T457 PolarHBondContact O-N 3.43Å; L453-T457 PolarHBondContact O-OG1 3.21Å; S455-T457 VanDerWaalsContact C-N 3.3Å; S455-T457 PolarHBondContact O-N 2.74Å; T457-V459 PolarHBondContact O-N 2.95Å; T457-V459 WeakPolarHBondContact OG1-CG2 3.2Å
458	S	91	Very high	91.7	Very high	99 Å²	99	43.4 Å²	43.4	69%	0.692	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.9	22.1	-178.9	66.2	0	0	0	0	115.4	S454 S455 L456	S454-S458 PolarHBondContact O-N 3.03Å; S455-S458 PolarHBondContact O-N 2.95Å; S455-S458 VanDerWaalsContact O-N 3.13Å; L456-S458 VanDerWaalsContact C-N 3.31Å
459	V	94.4	Very high	91.5	Very high	78 Å²	78	49 Å²	49	47%	0.473	29%	0.292	S	S	.	.			trans	-81.7	-48.1	178.7	-179.1	0	0	0	0	111.8	S454 T457 F461	S454-V459 PolarHBondContact O-N 3.49Å; T457-V459 PolarHBondContact O-N 2.95Å; T457-V459 WeakPolarHBondContact OG1-CG2 3.2Å; V459-F461 HydrophobicContact CB-CE2 4.31Å; V459-F461 HydrophobicContact CB-CZ 4.5Å; V459-F461 HydrophobicContact CG1-CD1 3.91Å; V459-F461 HydrophobicContact CG1-CD2 3.91Å; V459-F461 HydrophobicContact CG1-CE1 3.55Å; V459-F461 HydrophobicContact CG1-CE2 3.56Å; V459-F461 HydrophobicContact CG1-CG 4.08Å; V459-F461 HydrophobicContact CG1-CZ 3.38Å
460	G	89.7	Confident	91.2	Very high	51 Å²	51	49.6 Å²	49.6	53%	0.526	30%	0.303	S	S	.	.			trans	58.7	55.8	172.6	0	0	0	0	0	115.9	S454 G462	S454-G460 PolarHBondContact O-N 3.37Å; G460-G462 VanDerWaalsContact C-N 3.26Å; G460-G462 PolarHBondContact O-N 2.81Å
461	F	90.8	Very high	91.1	Very high	123 Å²	123	46 Å²	46	54%	0.539	29%	0.289	S	S	.	.			trans	-59.7	-26.6	-175.9	-67.5	-70	0	0	0	116	Y450 V459	Y450-F461 AromaticContact CE2-CD2 3.7Å; Y450-F461 HydrophobicContact CE2-CD2 3.7Å; Y450-F461 HydrophobicContact CE2-CE2 4Å; Y450-F461 AromaticContact CZ-CD2 3.58Å; Y450-F461 WeakPolarHBondContact OH-CB 3.42Å; Y450-F461 WeakPolarHBondContact OH-CD2 3.48Å; Y450-F461 VanDerWaalsContact OH-CG 3.22Å; Y450-F461 WeakPolarHBondContact OH-CG 3.29Å; V459-F461 HydrophobicContact CB-CE2 4.31Å; V459-F461 HydrophobicContact CB-CZ 4.5Å; V459-F461 HydrophobicContact CG1-CD1 3.91Å; V459-F461 HydrophobicContact CG1-CD2 3.91Å; V459-F461 HydrophobicContact CG1-CE1 3.55Å; V459-F461 HydrophobicContact CG1-CE2 3.56Å; V459-F461 HydrophobicContact CG1-CG 4.08Å; V459-F461 HydrophobicContact CG1-CZ 3.38Å
462	G	85.9	Confident	91	Very high	34 Å²	34	49.9 Å²	49.9	35%	0.351	31%	0.306	S	S	.	.	S	Bend	trans	85.5	0.8	176.1	0	0	0	0	0	116.7	G460 V464 C465	G460-G462 VanDerWaalsContact C-N 3.26Å; G460-G462 PolarHBondContact O-N 2.81Å; G462-V464 VanDerWaalsContact C-N 3.34Å; G462-C465 VanDerWaalsContact C-SG 3.53Å; G462-C465 WeakPolarHBondContact CA-SG 3.3Å; G462-C465 PolarHBondContact O-SG 3.38Å
463	N	87.3	Confident	91.1	Very high	93 Å²	93	55.1 Å²	55.1	50%	0.497	33%	0.333	S	S	.	.	S	Bend	trans	-70.2	-31.9	178.4	-66	-9.4	0	0	0	113	R426 Y450	R426-N463 PolarHBondContact NH1-O 3.22Å; Y450-N463 HydrophobicContact CE1-CB 4.12Å; Y450-N463 PolarHBondContact OH-ND2 3.42Å
464	V	90.1	Very high	91.1	Very high	15 Å²	15	53.2 Å²	53.2	9%	0.091	32%	0.322	C	S	.	.	S	Bend	trans	-121.9	124.9	168.3	178.1	0	0	0	0	105.5	W399 W419 F451 G462	W399-V464 HydrophobicContact CZ2-CG1 4.35Å; W419-V464 HydrophobicContact CB-CG1 4.5Å; W419-V464 HydrophobicContact CD2-CG1 4.37Å; W419-V464 HydrophobicContact CE3-CG1 3.71Å; W419-V464 HydrophobicContact CZ3-CG1 4.36Å; F451-V464 HydrophobicContact CB-CB 4.14Å; F451-V464 HydrophobicContact CB-CG1 3.94Å; F451-V464 HydrophobicContact CD2-CB 4.25Å; F451-V464 HydrophobicContact CD2-CG1 4.07Å; F451-V464 VanDerWaalsContact CD2-O 3.25Å; F451-V464 WeakPolarHBondContact CD2-O 3.42Å; F451-V464 HydrophobicContact CG-CG1 4.1Å; G462-V464 VanDerWaalsContact C-N 3.34Å
465	C	87.8	Confident	91.1	Very high	50 Å²	50	53.5 Å²	53.5	34%	0.338	32%	0.324	S	S	.	.			trans	-133.5	157	-174.9	-72.6	0	0	0	0	111.3	G462	G462-C465 VanDerWaalsContact C-SG 3.53Å; G462-C465 WeakPolarHBondContact CA-SG 3.3Å; G462-C465 PolarHBondContact O-SG 3.38Å
466	A	90.6	Very high	91.2	Very high	23 Å²	23	57.7 Å²	57.7	19%	0.19	34%	0.343	C	S	.	.			trans	-82.4	119.5	168.6	0	0	0	0	0	111	W399 E471 K472 S475	W399-A466 HydrophobicContact CH2-CB 4.03Å; A466-E471 WeakPolarHBondContact CA-OE2 3.4Å; A466-E471 VanDerWaalsContact CB-C 3.48Å; A466-E471 HydrophobicContact CB-CB 3.6Å; A466-E471 WeakPolarHBondContact CB-O 3.5Å; A466-K472 HydrophobicContact CB-CG 4.1Å; A466-S475 VanDerWaalsContact CB-OG 3.25Å; A466-S475 WeakPolarHBondContact CB-OG 3.26Å
467	N	88.8	Confident	91.3	Very high	58 Å²	58	60.6 Å²	60.6	31%	0.31	36%	0.363	S	S	.	.			trans	-109.6	-37.7	179.4	-57.1	-43.9	0	0	0	111.9	I417 E471 K472	I417-N467 HydrophobicContact CG2-CB 3.71Å; I417-N467 VanDerWaalsContact O-CB 3.23Å; I417-N467 WeakPolarHBondContact O-CB 3.29Å; I417-N467 PolarHBondContact O-ND2 3.09Å; N467-E471 PolarHBondContact N-OE2 2.63Å; N467-K472 WeakPolarHBondContact O-CE 3.29Å; N467-K472 PolarHBondContact O-NZ 3.43Å
468	T	89.6	Confident	91.4	Very high	18 Å²	18	58.2 Å²	58.2	11%	0.11	35%	0.349	C	S	.	.	S	Bend	trans	-82.1	162	178.3	76.7	0	0	0	0	111.8	E406 A470 E471 K472	E406-T468 WeakPolarHBondContact OE1-CB 3.33Å; E406-T468 PolarHBondContact OE1-OG1 3.28Å; T468-A470 VanDerWaalsContact C-N 3.34Å; T468-A470 PolarHBondContact O-N 2.95Å; T468-E471 PolarHBondContact N-OE2 3.43Å; T468-E471 PolarHBondContact O-N 3.18Å; T468-E471 VanDerWaalsContact OG1-CB 3.31Å; T468-E471 WeakPolarHBondContact OG1-CB 3.32Å; T468-E471 VanDerWaalsContact OG1-CD 3.32Å; T468-E471 WeakPolarHBondContact OG1-CG 3.29Å; T468-E471 PolarHBondContact OG1-N 3.11Å; T468-E471 VanDerWaalsContact OG1-N 3.15Å; T468-K472 WeakPolarHBondContact O-CB 3.42Å; T468-K472 VanDerWaalsContact O-CG 3.24Å; T468-K472 WeakPolarHBondContact O-CG 3.49Å; T468-K472 PolarHBondContact O-N 2.8Å
469	D	89.8	Confident	91.5	Very high	117 Å²	117	58.5 Å²	58.5	63%	0.626	34%	0.341	S	S	*	.	H	α-helix	trans	-67.6	-35.3	-179.9	-66.7	-18.9	0	0	0	112.1	K472 I473	D469-K472 PolarHBondContact O-N 2.99Å; D469-K472 IonicContact OD1-NZ 2.75Å; D469-I473 WeakPolarHBondContact O-CB 3.35Å; D469-I473 WeakPolarHBondContact O-CD1 3.46Å; D469-I473 VanDerWaalsContact O-CG1 3.23Å; D469-I473 WeakPolarHBondContact O-CG1 3.32Å; D469-I473 PolarHBondContact O-N 3.48Å
470	A	89.3	Confident	91.5	Very high	52 Å²	52	61.1 Å²	61.1	43%	0.43	35%	0.351	S	S	.	.	H	α-helix	trans	-65.9	-44.2	174.4	0	0	0	0	0	111.6	T468 K472 I473 F474	T468-A470 VanDerWaalsContact C-N 3.34Å; T468-A470 PolarHBondContact O-N 2.95Å; A470-K472 VanDerWaalsContact C-N 3.34Å; A470-K472 PolarHBondContact O-N 3.48Å; A470-I473 PolarHBondContact O-N 3.29Å; A470-F474 WeakPolarHBondContact O-CB 3.34Å; A470-F474 PolarHBondContact O-N 3.46Å
471	E	92.6	Very high	91.7	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-60.9	-41.3	174.3	-73	170.3	173.6	0	0	112.1	W399 I402 G418 W419 A466 N467 T468 F474 S475	W399-E471 HydrophobicContact CH2-CB 3.68Å; W399-E471 HydrophobicContact CH2-CG 3.66Å; W399-E471 HydrophobicContact CZ3-CB 3.72Å; W399-E471 HydrophobicContact CZ3-CG 3.76Å; I402-E471 HydrophobicContact CG2-CG 4.24Å; G418-E471 WeakPolarHBondContact CA-OE1 3.42Å; W419-E471 WeakPolarHBondContact CB-OE1 3.38Å; W419-E471 PolarHBondContact N-OE1 3.33Å; A466-E471 WeakPolarHBondContact CA-OE2 3.4Å; A466-E471 VanDerWaalsContact CB-C 3.48Å; A466-E471 HydrophobicContact CB-CB 3.6Å; A466-E471 WeakPolarHBondContact CB-O 3.5Å; N467-E471 PolarHBondContact N-OE2 2.63Å; T468-E471 PolarHBondContact N-OE2 3.43Å; T468-E471 PolarHBondContact O-N 3.18Å; T468-E471 VanDerWaalsContact OG1-CB 3.31Å; T468-E471 WeakPolarHBondContact OG1-CB 3.32Å; T468-E471 VanDerWaalsContact OG1-CD 3.32Å; T468-E471 WeakPolarHBondContact OG1-CG 3.29Å; T468-E471 PolarHBondContact OG1-N 3.11Å; T468-E471 VanDerWaalsContact OG1-N 3.15Å; E471-F474 PolarHBondContact O-N 2.89Å; E471-S475 WeakPolarHBondContact O-CB 2.91Å; E471-S475 PolarHBondContact O-N 3.47Å; E471-S475 PolarHBondContact O-OG 3.43Å
472	K	93.9	Very high	91.7	Very high	91 Å²	91	56 Å²	56	40%	0.396	32%	0.317	S	S	.	.	H	α-helix	trans	-67.3	-45.7	178.5	-73.9	168.6	-165.2	153.1	0	111.9	A466 N467 T468 D469 A470 F474 S475 I476	A466-K472 HydrophobicContact CB-CG 4.1Å; N467-K472 WeakPolarHBondContact O-CE 3.29Å; N467-K472 PolarHBondContact O-NZ 3.43Å; T468-K472 WeakPolarHBondContact O-CB 3.42Å; T468-K472 VanDerWaalsContact O-CG 3.24Å; T468-K472 WeakPolarHBondContact O-CG 3.49Å; T468-K472 PolarHBondContact O-N 2.8Å; D469-K472 PolarHBondContact O-N 2.99Å; D469-K472 IonicContact OD1-NZ 2.75Å; A470-K472 VanDerWaalsContact C-N 3.34Å; A470-K472 PolarHBondContact O-N 3.48Å; K472-F474 VanDerWaalsContact C-N 3.29Å; K472-F474 PolarHBondContact O-N 2.94Å; K472-S475 WeakPolarHBondContact O-CB 3.44Å; K472-S475 PolarHBondContact O-N 2.9Å; K472-S475 VanDerWaalsContact O-N 3.17Å; K472-I476 WeakPolarHBondContact O-CG1 3.39Å; K472-I476 PolarHBondContact O-N 3.17Å
473	I	95	Very high	92	Very high	110 Å²	110	57.4 Å²	57.4	56%	0.564	33%	0.326	S	S	*	.	H	α-helix	trans	-58.3	-45.8	175.8	-70.8	163.5	0	0	0	109.8	D469 A470 S475 I476 C477	D469-I473 WeakPolarHBondContact O-CB 3.35Å; D469-I473 WeakPolarHBondContact O-CD1 3.46Å; D469-I473 VanDerWaalsContact O-CG1 3.23Å; D469-I473 WeakPolarHBondContact O-CG1 3.32Å; D469-I473 PolarHBondContact O-N 3.48Å; A470-I473 PolarHBondContact O-N 3.29Å; I473-S475 VanDerWaalsContact C-N 3.34Å; I473-S475 PolarHBondContact O-N 3.02Å; I473-I476 PolarHBondContact O-N 3.17Å; I473-C477 PolarHBondContact O-N 3.39Å; I473-C477 VanDerWaalsContact O-N 3.07Å; I473-C477 PolarHBondContact O-SG 2.95Å; I473-C477 VanDerWaalsContact O-SG 3.38Å
474	F	95.2	Very high	92.3	Very high	25 Å²	25	58.4 Å²	58.4	11%	0.11	33%	0.33	C	S	.	.	H	α-helix	trans	-61.9	-41.7	176.5	179.6	-104.9	0	0	0	112.5	M395 I398 W399 I402 A470 E471 K472 I476 C477 I478	M395-F474 HydrophobicContact CB-CZ 4.39Å; M395-F474 WeakPolarHBondContact O-CZ 3.19Å; M395-F474 HydrophobicContact SD-CE2 4.15Å; M395-F474 HydrophobicContact SD-CZ 4.21Å; I398-F474 HydrophobicContact CB-CE2 3.98Å; I398-F474 HydrophobicContact CB-CZ 3.96Å; I398-F474 HydrophobicContact CG2-CD2 4.14Å; I398-F474 HydrophobicContact CG2-CE2 3.4Å; I398-F474 HydrophobicContact CG2-CZ 3.81Å; W399-F474 HydrophobicContact CB-CE1 3.82Å; W399-F474 HydrophobicContact CB-CZ 4.33Å; W399-F474 HydrophobicContact CD2-CD1 4.38Å; W399-F474 HydrophobicContact CD2-CE1 4.18Å; W399-F474 AromaticContact CE3-CD1 3.33Å; W399-F474 HydrophobicContact CE3-CD1 3.33Å; W399-F474 AromaticContact CE3-CE1 3.52Å; W399-F474 HydrophobicContact CE3-CE1 3.52Å; W399-F474 HydrophobicContact CE3-CG 4.42Å; W399-F474 HydrophobicContact CG-CE1 4.36Å; W399-F474 AromaticContact CZ3-CD1 3.78Å; W399-F474 HydrophobicContact CZ3-CD1 3.78Å; W399-F474 HydrophobicContact CZ3-CE1 4.39Å; I402-F474 HydrophobicContact CD1-CB 3.84Å; I402-F474 HydrophobicContact CD1-CD1 3.97Å; I402-F474 HydrophobicContact CD1-CD2 3.68Å; I402-F474 HydrophobicContact CD1-CE1 4.37Å; I402-F474 HydrophobicContact CD1-CE2 4.16Å; I402-F474 HydrophobicContact CD1-CG 3.55Å; I402-F474 HydrophobicContact CD1-CZ 4.45Å; A470-F474 WeakPolarHBondContact O-CB 3.34Å; A470-F474 PolarHBondContact O-N 3.46Å; E471-F474 PolarHBondContact O-N 2.89Å; K472-F474 VanDerWaalsContact C-N 3.29Å; K472-F474 PolarHBondContact O-N 2.94Å; F474-I476 PolarHBondContact O-N 2.99Å; F474-C477 WeakPolarHBondContact O-CB 3.39Å; F474-C477 PolarHBondContact O-N 3.14Å; F474-I478 HydrophobicContact CD1-CD1 3.75Å; F474-I478 HydrophobicContact CD1-CG1 4.38Å; F474-I478 HydrophobicContact CE1-CD1 3.11Å; F474-I478 HydrophobicContact CE1-CG1 4.04Å; F474-I478 HydrophobicContact CE2-CD1 4.17Å; F474-I478 HydrophobicContact CE2-CG1 4.36Å; F474-I478 HydrophobicContact CZ-CD1 3.38Å; F474-I478 HydrophobicContact CZ-CG1 4.03Å; F474-I478 PolarHBondContact O-N 2.93Å
475	S	94.1	Very high	92.2	Very high	14 Å²	14	60 Å²	60	10%	0.098	34%	0.337	C	S	.	.	H	α-helix	trans	-62.5	-41.1	176.2	-59.3	0	0	0	0	112.2	F451 A466 E471 K472 I473 C477 I478 M479	F451-S475 WeakPolarHBondContact CZ-OG 3.49Å; A466-S475 VanDerWaalsContact CB-OG 3.25Å; A466-S475 WeakPolarHBondContact CB-OG 3.26Å; E471-S475 WeakPolarHBondContact O-CB 2.91Å; E471-S475 PolarHBondContact O-N 3.47Å; E471-S475 PolarHBondContact O-OG 3.43Å; K472-S475 WeakPolarHBondContact O-CB 3.44Å; K472-S475 PolarHBondContact O-N 2.9Å; K472-S475 VanDerWaalsContact O-N 3.17Å; I473-S475 VanDerWaalsContact C-N 3.34Å; I473-S475 PolarHBondContact O-N 3.02Å; S475-C477 VanDerWaalsContact C-N 3.34Å; S475-C477 PolarHBondContact O-N 3.4Å; S475-I478 PolarHBondContact O-N 2.75Å; S475-M479 WeakPolarHBondContact O-CB 3.45Å; S475-M479 VanDerWaalsContact O-CG 3.29Å; S475-M479 WeakPolarHBondContact O-CG 3.23Å; S475-M479 PolarHBondContact O-N 3.3Å
476	I	94.9	Very high	92.2	Very high	107 Å²	107	61.3 Å²	61.3	55%	0.549	34%	0.338	S	S	.	.	H	α-helix	trans	-59.2	-46	174	-68	165.2	0	0	0	110.6	K472 I473 F474 M479 L480	K472-I476 WeakPolarHBondContact O-CG1 3.39Å; K472-I476 PolarHBondContact O-N 3.17Å; I473-I476 PolarHBondContact O-N 3.17Å; F474-I476 PolarHBondContact O-N 2.99Å; I476-M479 HydrophobicContact CG1-CE 4.12Å; I476-M479 PolarHBondContact O-N 3.37Å; I476-L480 PolarHBondContact O-N 2.84Å
477	C	94.7	Very high	92.3	Very high	64 Å²	64	63.1 Å²	63.1	43%	0.432	35%	0.353	S	S	.	.	H	α-helix	trans	-61.1	-45.2	176.6	-68.3	0	0	0	0	112.2	I473 F474 S475 L480 I481	I473-C477 PolarHBondContact O-N 3.39Å; I473-C477 VanDerWaalsContact O-N 3.07Å; I473-C477 PolarHBondContact O-SG 2.95Å; I473-C477 VanDerWaalsContact O-SG 3.38Å; F474-C477 WeakPolarHBondContact O-CB 3.39Å; F474-C477 PolarHBondContact O-N 3.14Å; S475-C477 VanDerWaalsContact C-N 3.34Å; S475-C477 PolarHBondContact O-N 3.4Å; C477-L480 PolarHBondContact O-N 3.44Å; C477-I481 WeakPolarHBondContact O-CG1 3.48Å; C477-I481 PolarHBondContact O-N 2.87Å
478	I	93.9	Very high	92.4	Very high	1 Å²	1	63.3 Å²	63.3	1%	0.005	36%	0.356	C	S	.	.	H	α-helix	trans	-62.5	-44.4	176.9	-72.9	-177.3	0	0	0	111.3	M395 T452 L456 F474 S475 L480 I481 G482	M395-I478 HydrophobicContact CB-CD1 3.85Å; M395-I478 HydrophobicContact CB-CG1 4.37Å; M395-I478 HydrophobicContact CG-CD1 4.18Å; M395-I478 HydrophobicContact CG-CG1 4.15Å; M395-I478 HydrophobicContact SD-CD1 4.42Å; M395-I478 HydrophobicContact SD-CG1 4.08Å; T452-I478 HydrophobicContact CG2-CD1 3.95Å; L456-I478 HydrophobicContact CD2-CG2 3.85Å; L456-I478 HydrophobicContact CG-CG2 3.92Å; F474-I478 HydrophobicContact CD1-CD1 3.75Å; F474-I478 HydrophobicContact CD1-CG1 4.38Å; F474-I478 HydrophobicContact CE1-CD1 3.11Å; F474-I478 HydrophobicContact CE1-CG1 4.04Å; F474-I478 HydrophobicContact CE2-CD1 4.17Å; F474-I478 HydrophobicContact CE2-CG1 4.36Å; F474-I478 HydrophobicContact CZ-CD1 3.38Å; F474-I478 HydrophobicContact CZ-CG1 4.03Å; F474-I478 PolarHBondContact O-N 2.93Å; S475-I478 PolarHBondContact O-N 2.75Å; I478-L480 VanDerWaalsContact C-N 3.28Å; I478-L480 PolarHBondContact O-N 2.98Å; I478-I481 PolarHBondContact O-N 3.29Å; I478-G482 PolarHBondContact O-N 2.89Å
479	M	94.2	Very high	92.4	Very high	105 Å²	105	63.3 Å²	63.3	52%	0.517	36%	0.356	S	S	.	.	H	α-helix	trans	-60.4	-40.2	179.3	-73.6	-175.7	-66.3	0	0	111.3	S475 I476 G482 A483	S475-M479 WeakPolarHBondContact O-CB 3.45Å; S475-M479 VanDerWaalsContact O-CG 3.29Å; S475-M479 WeakPolarHBondContact O-CG 3.23Å; S475-M479 PolarHBondContact O-N 3.3Å; I476-M479 HydrophobicContact CG1-CE 4.12Å; I476-M479 PolarHBondContact O-N 3.37Å; M479-G482 PolarHBondContact O-N 3.28Å; M479-A483 WeakPolarHBondContact O-CB 3.49Å; M479-A483 PolarHBondContact O-N 2.9Å
480	L	94.4	Very high	92.4	Very high	132 Å²	132	63.2 Å²	63.2	69%	0.691	35%	0.35	S	S	*	.	H	α-helix	trans	-65.5	-46	176.2	-174.6	66	0	0	0	112.2	I476 C477 I478 G482 A483 L484	I476-L480 PolarHBondContact O-N 2.84Å; C477-L480 PolarHBondContact O-N 3.44Å; I478-L480 VanDerWaalsContact C-N 3.28Å; I478-L480 PolarHBondContact O-N 2.98Å; L480-G482 VanDerWaalsContact C-N 3.33Å; L480-A483 PolarHBondContact O-N 3.41Å; L480-L484 PolarHBondContact O-N 3.36Å
481	I	92.4	Very high	92.5	Very high	65 Å²	65	62.7 Å²	62.7	33%	0.333	35%	0.35	S	S	.	.	H	α-helix	trans	-63.4	-42	176.6	-67	167	0	0	0	110.5	L456 C477 I478 L484 M485	L456-I481 HydrophobicContact CD2-CG2 4.48Å; C477-I481 WeakPolarHBondContact O-CG1 3.48Å; C477-I481 PolarHBondContact O-N 2.87Å; I478-I481 PolarHBondContact O-N 3.29Å; I481-L484 PolarHBondContact O-N 3.41Å; I481-M485 HydrophobicContact CG2-CG 4.25Å; I481-M485 WeakPolarHBondContact O-CB 3.19Å; I481-M485 VanDerWaalsContact O-CG 3.3Å; I481-M485 WeakPolarHBondContact O-CG 3.31Å; I481-M485 PolarHBondContact O-N 3.32Å
482	G	92.2	Very high	92.3	Very high	2 Å²	2	65.3 Å²	65.3	2%	0.021	36%	0.364	C	S	.	.	H	α-helix	trans	-60.6	-47.5	177.7	0	0	0	0	0	112.2	I478 M479 L480 L484 M485 H486	I478-G482 PolarHBondContact O-N 2.89Å; M479-G482 PolarHBondContact O-N 3.28Å; L480-G482 VanDerWaalsContact C-N 3.33Å; G482-L484 VanDerWaalsContact C-N 3.34Å; G482-L484 PolarHBondContact O-N 3.49Å; G482-M485 PolarHBondContact O-N 3.47Å; G482-H486 VanDerWaalsContact O-CB 3.3Å; G482-H486 WeakPolarHBondContact O-CB 3.2Å; G482-H486 PolarHBondContact O-N 2.94Å
483	A	92.4	Very high	92	Very high	64 Å²	64	63 Å²	63	53%	0.529	36%	0.358	S	S	.	.	H	α-helix	trans	-58	-44.9	176.7	0	0	0	0	0	112.1	M479 L480 A487	M479-A483 WeakPolarHBondContact O-CB 3.49Å; M479-A483 PolarHBondContact O-N 2.9Å; L480-A483 PolarHBondContact O-N 3.41Å; A483-A487 PolarHBondContact O-N 2.98Å; A483-A487 VanDerWaalsContact O-N 3.09Å
484	L	92	Very high	91.8	Very high	113 Å²	113	61.1 Å²	61.1	59%	0.592	35%	0.351	S	S	*	.	H	α-helix	trans	-65.4	-45.6	177.1	-176.8	64.8	0	0	0	111.8	L480 I481 G482 A487 V488	L480-L484 PolarHBondContact O-N 3.36Å; I481-L484 PolarHBondContact O-N 3.41Å; G482-L484 VanDerWaalsContact C-N 3.34Å; G482-L484 PolarHBondContact O-N 3.49Å; L484-A487 WeakPolarHBondContact O-CB 3.37Å; L484-A487 PolarHBondContact O-N 3.33Å; L484-V488 WeakPolarHBondContact O-CG2 3.11Å; L484-V488 PolarHBondContact O-N 3.34Å
485	M	88.8	Confident	91.6	Very high	48 Å²	48	62.2 Å²	62.2	24%	0.236	37%	0.365	C	S	.	.	H	α-helix	trans	-63.6	-42.8	179.6	-75	-66.4	158	0	0	111.9	F388 L391 I481 G482 A487 V488 V489	F388-M485 HydrophobicContact CD2-CB 4.29Å; L391-M485 HydrophobicContact CD1-CE 3.66Å; L391-M485 HydrophobicContact CD1-CG 4.14Å; L391-M485 HydrophobicContact CD1-SD 3.82Å; I481-M485 HydrophobicContact CG2-CG 4.25Å; I481-M485 WeakPolarHBondContact O-CB 3.19Å; I481-M485 VanDerWaalsContact O-CG 3.3Å; I481-M485 WeakPolarHBondContact O-CG 3.31Å; I481-M485 PolarHBondContact O-N 3.32Å; G482-M485 PolarHBondContact O-N 3.47Å; M485-A487 VanDerWaalsContact C-N 3.34Å; M485-A487 PolarHBondContact O-N 2.94Å; M485-V488 PolarHBondContact O-N 3.29Å; M485-V489 WeakPolarHBondContact O-CG2 3.48Å; M485-V489 PolarHBondContact O-N 2.78Å
486	H	88.5	Confident	91.2	Very high	79 Å²	79	63.7 Å²	63.7	37%	0.366	37%	0.371	S	S	.	.	H	α-helix	trans	-59.9	-45	175.4	-168	-95.9	0	0	0	110.9	G482 V488 V489 F490	G482-H486 VanDerWaalsContact O-CB 3.3Å; G482-H486 WeakPolarHBondContact O-CB 3.2Å; G482-H486 PolarHBondContact O-N 2.94Å; H486-V488 VanDerWaalsContact C-N 3.34Å; H486-V488 PolarHBondContact O-N 2.88Å; H486-V489 PolarHBondContact O-N 2.61Å; H486-F490 AromaticContact CD2-CD2 3.92Å; H486-F490 AromaticContact CD2-CE2 3.57Å; H486-F490 AromaticContact CE1-CD2 3.33Å; H486-F490 WeakPolarHBondContact CE1-CD2 3.49Å; H486-F490 AromaticContact CE1-CE2 3.08Å; H486-F490 WeakPolarHBondContact CE1-CE2 3.46Å; H486-F490 AromaticContact CE1-CZ 3.86Å; H486-F490 AromaticContact CG-CD2 3.83Å; H486-F490 AromaticContact CG-CE2 3.95Å; H486-F490 AromaticContact ND1-CD2 3.45Å; H486-F490 WeakPolarHBondContact ND1-CD2 3.4Å; H486-F490 AromaticContact ND1-CE2 3.67Å; H486-F490 AromaticContact NE2-CD2 3.64Å; H486-F490 AromaticContact NE2-CE2 3Å; H486-F490 WeakPolarHBondContact NE2-CE2 3.44Å; H486-F490 AromaticContact NE2-CZ 3.82Å; H486-F490 WeakPolarHBondContact O-CD2 3.46Å; H486-F490 PolarHBondContact O-N 3.14Å
487	A	92.2	Very high	90.9	Very high	61 Å²	61	62.3 Å²	62.3	50%	0.504	36%	0.364	S	S	.	.	H	α-helix	trans	-58.8	-42.5	175.4	0	0	0	0	0	112.7	A483 L484 M485 G491	A483-A487 PolarHBondContact O-N 2.98Å; A483-A487 VanDerWaalsContact O-N 3.09Å; L484-A487 WeakPolarHBondContact O-CB 3.37Å; L484-A487 PolarHBondContact O-N 3.33Å; M485-A487 VanDerWaalsContact C-N 3.34Å; M485-A487 PolarHBondContact O-N 2.94Å; A487-G491 PolarHBondContact O-N 3.09Å
488	V	90.1	Very high	90.6	Very high	62 Å²	62	65.7 Å²	65.7	38%	0.376	37%	0.374	S	S	.	.	H	α-helix	trans	-66	-43.3	177.3	174.4	0	0	0	0	111.7	L384 L484 M485 H486 G491 N492	L384-V488 HydrophobicContact CD1-CG1 4.07Å; L384-V488 HydrophobicContact CD2-CG1 4.15Å; L484-V488 WeakPolarHBondContact O-CG2 3.11Å; L484-V488 PolarHBondContact O-N 3.34Å; M485-V488 PolarHBondContact O-N 3.29Å; H486-V488 VanDerWaalsContact C-N 3.34Å; H486-V488 PolarHBondContact O-N 2.88Å; V488-G491 PolarHBondContact O-N 3.27Å; V488-N492 PolarHBondContact O-N 3.09Å; V488-N492 PolarHBondContact O-ND2 3.49Å
489	V	89.3	Confident	90.2	Very high	17 Å²	17	73.4 Å²	73.4	10%	0.103	40%	0.403	C	S	.	.	H	α-helix	trans	-61.3	-53.1	177.5	167.7	0	0	0	0	111	L384 M385 M485 H486 G491 N492 V493	L384-V489 HydrophobicContact CD2-CB 4.29Å; L384-V489 HydrophobicContact CD2-CG2 3.74Å; L384-V489 HydrophobicContact CG-CG2 3.89Å; M385-V489 HydrophobicContact CE-CG1 3.33Å; M385-V489 HydrophobicContact SD-CG1 4.34Å; M485-V489 WeakPolarHBondContact O-CG2 3.48Å; M485-V489 PolarHBondContact O-N 2.78Å; H486-V489 PolarHBondContact O-N 2.61Å; V489-G491 VanDerWaalsContact C-N 3.34Å; V489-G491 PolarHBondContact O-N 3.37Å; V489-N492 PolarHBondContact O-N 3.41Å; V489-V493 WeakPolarHBondContact O-CG2 3.39Å; V489-V493 PolarHBondContact O-N 3.5Å
490	F	90.2	Very high	89.7	Confident	115 Å²	115	74.4 Å²	74.4	50%	0.504	41%	0.408	S	S	.	.	H	α-helix	trans	-62.6	-41.3	179.2	-85.7	-87.6	0	0	0	111.7	H486 N492 V493 T494	H486-F490 AromaticContact CD2-CD2 3.92Å; H486-F490 AromaticContact CD2-CE2 3.57Å; H486-F490 AromaticContact CE1-CD2 3.33Å; H486-F490 WeakPolarHBondContact CE1-CD2 3.49Å; H486-F490 AromaticContact CE1-CE2 3.08Å; H486-F490 WeakPolarHBondContact CE1-CE2 3.46Å; H486-F490 AromaticContact CE1-CZ 3.86Å; H486-F490 AromaticContact CG-CD2 3.83Å; H486-F490 AromaticContact CG-CE2 3.95Å; H486-F490 AromaticContact ND1-CD2 3.45Å; H486-F490 WeakPolarHBondContact ND1-CD2 3.4Å; H486-F490 AromaticContact ND1-CE2 3.67Å; H486-F490 AromaticContact NE2-CD2 3.64Å; H486-F490 AromaticContact NE2-CE2 3Å; H486-F490 WeakPolarHBondContact NE2-CE2 3.44Å; H486-F490 AromaticContact NE2-CZ 3.82Å; H486-F490 WeakPolarHBondContact O-CD2 3.46Å; H486-F490 PolarHBondContact O-N 3.14Å; F490-N492 VanDerWaalsContact C-N 3.35Å; F490-N492 PolarHBondContact O-N 3.44Å; F490-V493 PolarHBondContact O-N 2.86Å; F490-T494 PolarHBondContact O-N 2.99Å; F490-T494 PolarHBondContact O-OG1 3.46Å
491	G	91.6	Very high	89.4	Confident	41 Å²	41	74.1 Å²	74.1	42%	0.423	40%	0.398	S	S	.	.	H	α-helix	trans	-57.6	-44.2	175.8	0	0	0	0	0	113.1	A487 V488 V489 T494 A495	A487-G491 PolarHBondContact O-N 3.09Å; V488-G491 PolarHBondContact O-N 3.27Å; V489-G491 VanDerWaalsContact C-N 3.34Å; V489-G491 PolarHBondContact O-N 3.37Å; G491-T494 PolarHBondContact O-N 2.94Å; G491-A495 WeakPolarHBondContact O-CB 3.26Å; G491-A495 PolarHBondContact O-N 3.01Å
492	N	87.8	Confident	89.3	Confident	56 Å²	56	74 Å²	74	30%	0.299	40%	0.403	S	S	.	.	H	α-helix	trans	-67.9	-41.8	176.6	-81.5	-74.4	0	0	0	112.5	L384 V488 V489 F490 T494 A495 I496	L384-N492 HydrophobicContact CD2-CB 4.16Å; V488-N492 PolarHBondContact O-N 3.09Å; V488-N492 PolarHBondContact O-ND2 3.49Å; V489-N492 PolarHBondContact O-N 3.41Å; F490-N492 VanDerWaalsContact C-N 3.35Å; F490-N492 PolarHBondContact O-N 3.44Å; N492-T494 VanDerWaalsContact C-N 3.35Å; N492-T494 PolarHBondContact O-N 2.96Å; N492-A495 PolarHBondContact O-N 3.27Å; N492-I496 WeakPolarHBondContact O-CD1 3.49Å; N492-I496 VanDerWaalsContact O-CG1 3.28Å; N492-I496 WeakPolarHBondContact O-CG1 3.11Å; N492-I496 PolarHBondContact O-N 3.37Å
493	V	88.9	Confident	89.1	Confident	43 Å²	43	80 Å²	80	26%	0.261	43%	0.425	S	S	.	.	H	α-helix	trans	-60.3	-46.2	175.6	171.5	0	0	0	0	110.4	L381 V489 F490 A495 I496 I497	L381-V493 HydrophobicContact CD1-CG2 3.68Å; L381-V493 HydrophobicContact CD2-CG2 4.45Å; V489-V493 WeakPolarHBondContact O-CG2 3.39Å; V489-V493 PolarHBondContact O-N 3.5Å; F490-V493 PolarHBondContact O-N 2.86Å; V493-A495 PolarHBondContact O-N 3.48Å; V493-I496 PolarHBondContact O-N 3.18Å; V493-I497 HydrophobicContact CG1-CD1 3.79Å; V493-I497 HydrophobicContact CG1-CG1 4.45Å; V493-I497 VanDerWaalsContact O-CG1 3.3Å; V493-I497 WeakPolarHBondContact O-CG1 3.25Å; V493-I497 PolarHBondContact O-N 3.25Å
494	T	90.9	Very high	89	Confident	69 Å²	69	84.8 Å²	84.8	42%	0.423	43%	0.43	S	S	.	.	H	α-helix	trans	-59.5	-45.1	175.4	-56.5	0	0	0	0	111.6	F490 G491 N492 I496 I497 Q498	F490-T494 PolarHBondContact O-N 2.99Å; F490-T494 PolarHBondContact O-OG1 3.46Å; G491-T494 PolarHBondContact O-N 2.94Å; N492-T494 VanDerWaalsContact C-N 3.35Å; N492-T494 PolarHBondContact O-N 2.96Å; T494-I496 VanDerWaalsContact C-N 3.35Å; T494-I496 PolarHBondContact O-N 2.9Å; T494-I497 PolarHBondContact O-N 3.39Å; T494-Q498 HydrophobicContact CG2-CG 4.45Å; T494-Q498 WeakPolarHBondContact O-CB 3.49Å; T494-Q498 VanDerWaalsContact O-CG 3.29Å; T494-Q498 WeakPolarHBondContact O-CG 3.35Å; T494-Q498 PolarHBondContact O-N 3.46Å
495	A	89.3	Confident	88.9	Confident	49 Å²	49	82.7 Å²	82.7	41%	0.405	42%	0.424	S	S	.	.	H	α-helix	trans	-62.4	-39.2	177.6	0	0	0	0	0	112.7	G491 N492 V493 Q498 R499	G491-A495 WeakPolarHBondContact O-CB 3.26Å; G491-A495 PolarHBondContact O-N 3.01Å; N492-A495 PolarHBondContact O-N 3.27Å; V493-A495 PolarHBondContact O-N 3.48Å; A495-Q498 PolarHBondContact O-N 2.98Å; A495-R499 WeakPolarHBondContact O-CB 3.26Å; A495-R499 PolarHBondContact O-N 3.25Å
496	I	87	Confident	89	Confident	44 Å²	44	83.5 Å²	83.5	23%	0.226	43%	0.429	C	S	.	.	H	α-helix	trans	-63.6	-48.1	175	-71.6	160.5	0	0	0	110.7	L381 N492 V493 T494 Q498 R499 M500	L381-I496 HydrophobicContact CB-CD1 3.86Å; L381-I496 HydrophobicContact CD2-CD1 4.18Å; L381-I496 HydrophobicContact CG-CD1 4.41Å; N492-I496 WeakPolarHBondContact O-CD1 3.49Å; N492-I496 VanDerWaalsContact O-CG1 3.28Å; N492-I496 WeakPolarHBondContact O-CG1 3.11Å; N492-I496 PolarHBondContact O-N 3.37Å; V493-I496 PolarHBondContact O-N 3.18Å; T494-I496 VanDerWaalsContact C-N 3.35Å; T494-I496 PolarHBondContact O-N 2.9Å; I496-Q498 VanDerWaalsContact C-N 3.32Å; I496-Q498 PolarHBondContact O-N 3.18Å; I496-R499 PolarHBondContact O-N 3.08Å; I496-M500 WeakPolarHBondContact O-CB 3.42Å; I496-M500 PolarHBondContact O-N 3.46Å
497	I	87.5	Confident	89.2	Confident	79 Å²	79	82.2 Å²	82.2	41%	0.405	42%	0.421	S	S	.	.	H	α-helix	trans	-59.6	-46.2	178.5	-69.8	170.3	0	0	0	109.8	V493 T494 R499 M500 Y501	V493-I497 HydrophobicContact CG1-CD1 3.79Å; V493-I497 HydrophobicContact CG1-CG1 4.45Å; V493-I497 VanDerWaalsContact O-CG1 3.3Å; V493-I497 WeakPolarHBondContact O-CG1 3.25Å; V493-I497 PolarHBondContact O-N 3.25Å; T494-I497 PolarHBondContact O-N 3.39Å; I497-R499 VanDerWaalsContact C-N 3.35Å; I497-R499 PolarHBondContact O-N 3.19Å; I497-M500 PolarHBondContact O-N 3.25Å; I497-Y501 HydrophobicContact CG2-CD2 3.78Å; I497-Y501 HydrophobicContact CG2-CE2 4.08Å; I497-Y501 WeakPolarHBondContact O-CD2 3.47Å; I497-Y501 PolarHBondContact O-N 3.08Å
498	Q	88.2	Confident	89.2	Confident	134 Å²	134	84.3 Å²	84.3	63%	0.626	42%	0.421	S	S	*	.	H	α-helix	trans	-58.9	-44.2	176.1	-74.6	176.2	-14	0	0	112	T494 A495 I496 Y501 S502	T494-Q498 HydrophobicContact CG2-CG 4.45Å; T494-Q498 WeakPolarHBondContact O-CB 3.49Å; T494-Q498 VanDerWaalsContact O-CG 3.29Å; T494-Q498 WeakPolarHBondContact O-CG 3.35Å; T494-Q498 PolarHBondContact O-N 3.46Å; A495-Q498 PolarHBondContact O-N 2.98Å; I496-Q498 VanDerWaalsContact C-N 3.32Å; I496-Q498 PolarHBondContact O-N 3.18Å; Q498-Y501 PolarHBondContact O-N 2.96Å; Q498-S502 PolarHBondContact O-N 2.98Å
499	R	85.8	Confident	89.4	Confident	163 Å²	163	84.5 Å²	84.5	62%	0.615	42%	0.422	S	S	*	.	H	α-helix	trans	-63.9	-44.2	176.5	-178.7	177.7	-82	-175.3	-6.3	111.7	S377 A495 I496 I497 Y501 S502	S377-R499 PolarHBondContact OG-NH1 3.48Å; A495-R499 WeakPolarHBondContact O-CB 3.26Å; A495-R499 PolarHBondContact O-N 3.25Å; I496-R499 PolarHBondContact O-N 3.08Å; I497-R499 VanDerWaalsContact C-N 3.35Å; I497-R499 PolarHBondContact O-N 3.19Å; R499-Y501 PolarHBondContact O-N 2.72Å; R499-S502 WeakPolarHBondContact O-CB 3.46Å; R499-S502 PolarHBondContact O-N 3.34Å; R499-S502 PolarHBondContact O-OG 3.27Å
500	M	84.1	Confident	89.6	Confident	127 Å²	127	90.6 Å²	90.6	63%	0.626	44%	0.443	S	S	*	.	H	α-helix	trans	-62.2	-41.6	179	-174.7	177.6	72	0	0	112	I496 I497	I496-M500 WeakPolarHBondContact O-CB 3.42Å; I496-M500 PolarHBondContact O-N 3.46Å; I497-M500 PolarHBondContact O-N 3.25Å
501	Y	89.1	Confident	89.8	Confident	125 Å²	125	85.6 Å²	85.6	49%	0.49	42%	0.422	S	S	.	.	H	α-helix	trans	-87.7	-2.4	179.3	-75.9	-73.6	0	0	0	114.4	I497 Q498 R499 R503 R504 S505	I497-Y501 HydrophobicContact CG2-CD2 3.78Å; I497-Y501 HydrophobicContact CG2-CE2 4.08Å; I497-Y501 WeakPolarHBondContact O-CD2 3.47Å; I497-Y501 PolarHBondContact O-N 3.08Å; Q498-Y501 PolarHBondContact O-N 2.96Å; R499-Y501 PolarHBondContact O-N 2.72Å; Y501-R503 VanDerWaalsContact C-N 3.35Å; Y501-R503 PolarHBondContact O-N 2.85Å; Y501-R504 HydrophobicContact CD1-CB 4.42Å; Y501-R504 PolarHBondContact O-N 2.76Å; Y501-R504 VanDerWaalsContact O-N 3.15Å; Y501-S505 VanDerWaalsContact O-CB 3.29Å; Y501-S505 WeakPolarHBondContact O-CB 3.31Å; Y501-S505 PolarHBondContact O-N 3.04Å
502	S	90.3	Very high	90	Very high	62 Å²	62	89.8 Å²	89.8	43%	0.434	43%	0.428	S	S	.	.	H	α-helix	trans	-52.3	-47.4	-176.4	61.5	0	0	0	0	113.3	Q498 R499 S505 L506	Q498-S502 PolarHBondContact O-N 2.98Å; R499-S502 WeakPolarHBondContact O-CB 3.46Å; R499-S502 PolarHBondContact O-N 3.34Å; R499-S502 PolarHBondContact O-OG 3.27Å; S502-S505 PolarHBondContact O-N 3.21Å; S502-L506 PolarHBondContact O-N 3.12Å
503	R	88	Confident	90.4	Very high	129 Å²	129	91 Å²	91	49%	0.487	43%	0.434	S	S	.	.	H	α-helix	trans	-66.5	-43	178.7	-72.2	-58.6	-148	-175.2	4.1	113.2	Y501 S505 L506 Y507	Y501-R503 VanDerWaalsContact C-N 3.35Å; Y501-R503 PolarHBondContact O-N 2.85Å; R503-S505 VanDerWaalsContact C-N 3.34Å; R503-L506 PolarHBondContact O-N 2.87Å; R503-Y507 PolarHBondContact O-N 3.26Å
504	R	88.6	Confident	90.7	Very high	165 Å²	165	90.3 Å²	90.3	62%	0.623	43%	0.429	S	S	*	.	H	α-helix	trans	-66.9	-39.7	178	-172.4	164.4	-141.5	139.3	6.6	111.2	Y501 Y507 H508	Y501-R504 HydrophobicContact CD1-CB 4.42Å; Y501-R504 PolarHBondContact O-N 2.76Å; Y501-R504 VanDerWaalsContact O-N 3.15Å; R504-Y507 WeakPolarHBondContact O-CB 3.35Å; R504-Y507 PolarHBondContact O-N 3.44Å; R504-H508 PolarHBondContact O-CD2 3.03Å; R504-H508 PolarHBondContact O-N 2.99Å
505	S	90.8	Very high	90.9	Very high	69 Å²	69	92.1 Å²	92.1	48%	0.483	43%	0.431	S	S	.	.	H	α-helix	trans	-61	-44.4	173.9	-174.3	0	0	0	0	111.5	Y501 S502 R503 Y507 H508 T509	Y501-S505 VanDerWaalsContact O-CB 3.29Å; Y501-S505 WeakPolarHBondContact O-CB 3.31Å; Y501-S505 PolarHBondContact O-N 3.04Å; S502-S505 PolarHBondContact O-N 3.21Å; R503-S505 VanDerWaalsContact C-N 3.34Å; S505-Y507 PolarHBondContact O-N 2.96Å; S505-H508 PolarHBondContact O-N 3.04Å; S505-T509 WeakPolarHBondContact O-CB 3.09Å; S505-T509 PolarHBondContact O-N 3Å; S505-T509 PolarHBondContact O-OG1 3.48Å
506	L	91.6	Very high	91.2	Very high	64 Å²	64	92.5 Å²	92.5	34%	0.335	43%	0.426	S	S	.	.	H	α-helix	trans	-60.6	-45.8	175.7	-177.5	64	0	0	0	112.1	S502 R503 H508 T509 R510 W539	S502-L506 PolarHBondContact O-N 3.12Å; R503-L506 PolarHBondContact O-N 2.87Å; L506-H508 PolarHBondContact O-N 3.34Å; L506-T509 PolarHBondContact O-N 3.14Å; L506-R510 HydrophobicContact CD1-CG 4.21Å; L506-R510 WeakPolarHBondContact O-CG 3.26Å; L506-R510 PolarHBondContact O-N 3.39Å; L506-W539 HydrophobicContact CB-CH2 4.36Å; L506-W539 HydrophobicContact CD2-CH2 3.98Å; L506-W539 HydrophobicContact CG-CH2 3.91Å
507	Y	91.8	Very high	91.7	Very high	52 Å²	52	95 Å²	95	20%	0.204	44%	0.436	C	S	.	.	H	α-helix	trans	-56.1	-50.6	174.5	172.1	-105.8	0	0	0	111.7	R503 R504 S505 T509 R510 M511 F535 W539	R503-Y507 PolarHBondContact O-N 3.26Å; R504-Y507 WeakPolarHBondContact O-CB 3.35Å; R504-Y507 PolarHBondContact O-N 3.44Å; S505-Y507 PolarHBondContact O-N 2.96Å; Y507-T509 VanDerWaalsContact C-N 3.33Å; Y507-T509 PolarHBondContact O-N 3.27Å; Y507-R510 PolarHBondContact O-N 2.92Å; Y507-M511 HydrophobicContact CE2-CE 4.1Å; Y507-M511 WeakPolarHBondContact O-CB 3.44Å; Y507-M511 PolarHBondContact O-N 3.39Å; Y507-M511 VanDerWaalsContact OH-CE 3.32Å; Y507-M511 WeakPolarHBondContact OH-CE 3.22Å; Y507-F535 AromaticContact CD2-CE1 3.87Å; Y507-F535 HydrophobicContact CD2-CE1 3.87Å; Y507-F535 HydrophobicContact CE2-CD1 4.23Å; Y507-F535 AromaticContact CE2-CE1 3.69Å; Y507-F535 HydrophobicContact CE2-CE1 3.69Å; Y507-W539 HydrophobicContact CD2-CB 4.35Å; Y507-W539 AromaticContact CD2-CD1 3.65Å; Y507-W539 AromaticContact CD2-CD2 3.57Å; Y507-W539 HydrophobicContact CD2-CD2 3.57Å; Y507-W539 AromaticContact CD2-CE2 3.66Å; Y507-W539 HydrophobicContact CD2-CE3 4.19Å; Y507-W539 AromaticContact CD2-CG 3.59Å; Y507-W539 HydrophobicContact CD2-CG 3.59Å; Y507-W539 HydrophobicContact CD2-CZ2 4.34Å; Y507-W539 AromaticContact CD2-NE1 3.68Å; Y507-W539 HydrophobicContact CE2-CB 4.31Å; Y507-W539 HydrophobicContact CE2-CD2 4.38Å; Y507-W539 AromaticContact CE2-CG 3.98Å; Y507-W539 HydrophobicContact CE2-CG 3.98Å; Y507-W539 HydrophobicContact CG-CD2 4.43Å; Y507-W539 HydrophobicContact CG-CZ2 4.44Å
508	H	93	Very high	92.1	Very high	105 Å²	105	91.7 Å²	91.7	49%	0.486	42%	0.419	S	S	.	.	H	α-helix	trans	-64.5	-37.2	-179.5	-76.3	-62.9	0	0	0	112.6	R504 S505 L506 K512	R504-H508 PolarHBondContact O-CD2 3.03Å; R504-H508 PolarHBondContact O-N 2.99Å; S505-H508 PolarHBondContact O-N 3.04Å; L506-H508 PolarHBondContact O-N 3.34Å; H508-K512 VanDerWaalsContact O-CB 3.29Å; H508-K512 WeakPolarHBondContact O-CB 2.98Å; H508-K512 PolarHBondContact O-N 3.49Å
509	T	94.6	Very high	92.5	Very high	67 Å²	67	94.2 Å²	94.2	41%	0.411	42%	0.423	S	S	.	.	H	α-helix	trans	-63.7	-53.4	176.1	-56.2	0	0	0	0	110.4	S505 L506 Y507 M511 K512 D513	S505-T509 WeakPolarHBondContact O-CB 3.09Å; S505-T509 PolarHBondContact O-N 3Å; S505-T509 PolarHBondContact O-OG1 3.48Å; L506-T509 PolarHBondContact O-N 3.14Å; Y507-T509 VanDerWaalsContact C-N 3.33Å; Y507-T509 PolarHBondContact O-N 3.27Å; T509-M511 VanDerWaalsContact C-N 3.35Å; T509-M511 PolarHBondContact O-N 2.73Å; T509-K512 WeakPolarHBondContact O-CB 3.12Å; T509-K512 PolarHBondContact O-N 2.9Å; T509-D513 VanDerWaalsContact O-CG 3.28Å; T509-D513 PolarHBondContact O-N 2.64Å
510	R	92.9	Very high	93	Very high	145 Å²	145	91.7 Å²	91.7	55%	0.547	43%	0.425	S	S	.	.	H	α-helix	trans	-62.3	-39.3	178.5	-68.1	-63.5	-167.8	170.8	3.4	113	L506 Y507 K512 D513 L514 F535	L506-R510 HydrophobicContact CD1-CG 4.21Å; L506-R510 WeakPolarHBondContact O-CG 3.26Å; L506-R510 PolarHBondContact O-N 3.39Å; Y507-R510 PolarHBondContact O-N 2.92Å; R510-K512 VanDerWaalsContact C-N 3.31Å; R510-K512 PolarHBondContact O-N 3.15Å; R510-D513 PolarHBondContact O-N 2.97Å; R510-L514 WeakPolarHBondContact O-CB 3.26Å; R510-L514 PolarHBondContact O-N 3.42Å; R510-F535 HydrophobicContact CB-CE2 4.16Å; R510-F535 HydrophobicContact CB-CZ 3.64Å
511	M	93.5	Very high	93.7	Very high	10 Å²	10	90.8 Å²	90.8	5%	0.049	42%	0.419	C	S	.	.	H	α-helix	trans	-63.5	-37.8	174.2	176.1	61.1	73.7	0	0	111.8	Y507 T509 K515 L532 F535 Q536	Y507-M511 HydrophobicContact CE2-CE 4.1Å; Y507-M511 WeakPolarHBondContact O-CB 3.44Å; Y507-M511 PolarHBondContact O-N 3.39Å; Y507-M511 VanDerWaalsContact OH-CE 3.32Å; Y507-M511 WeakPolarHBondContact OH-CE 3.22Å; T509-M511 VanDerWaalsContact C-N 3.35Å; T509-M511 PolarHBondContact O-N 2.73Å; M511-K515 HydrophobicContact CG-CD 4.44Å; M511-K515 WeakPolarHBondContact O-CG 3.36Å; M511-K515 PolarHBondContact O-N 2.67Å; M511-K515 VanDerWaalsContact O-N 3.07Å; M511-K515 HydrophobicContact SD-CD 4.49Å; M511-L532 HydrophobicContact CE-CD2 4.45Å; M511-L532 HydrophobicContact SD-CD2 3.53Å; M511-L532 VanDerWaalsContact SD-CD2 3.53Å; M511-F535 HydrophobicContact CB-CE1 4.2Å; M511-F535 HydrophobicContact CE-CD1 3.53Å; M511-F535 HydrophobicContact CE-CE1 3.92Å; M511-F535 HydrophobicContact SD-CD1 4.46Å; M511-Q536 HydrophobicContact CE-CG 3.88Å
512	K	95.8	Very high	94	Very high	129 Å²	129	95.7 Å²	95.7	56%	0.561	44%	0.437	S	S	*	.	H	α-helix	trans	-65.9	-48.9	174.9	-177.8	-175.7	173.7	-173.2	0	110.4	H508 T509 R510 L514 K515 D516	H508-K512 VanDerWaalsContact O-CB 3.29Å; H508-K512 WeakPolarHBondContact O-CB 2.98Å; H508-K512 PolarHBondContact O-N 3.49Å; T509-K512 WeakPolarHBondContact O-CB 3.12Å; T509-K512 PolarHBondContact O-N 2.9Å; R510-K512 VanDerWaalsContact C-N 3.31Å; R510-K512 PolarHBondContact O-N 3.15Å; K512-L514 VanDerWaalsContact C-N 3.27Å; K512-L514 PolarHBondContact O-N 2.89Å; K512-K515 WeakPolarHBondContact O-CB 3.44Å; K512-K515 PolarHBondContact O-N 3.39Å; K512-D516 PolarHBondContact O-N 3.4Å
513	D	96.4	Very high	94.2	Very high	80 Å²	80	94.9 Å²	94.9	43%	0.428	43%	0.428	S	S	.	.	H	α-helix	trans	-56.3	-42.8	177.6	-60.5	-22	0	0	0	111.4	T509 R510 D516 F517	T509-D513 VanDerWaalsContact O-CG 3.28Å; T509-D513 PolarHBondContact O-N 2.64Å; R510-D513 PolarHBondContact O-N 2.97Å; D513-D516 PolarHBondContact O-N 3.27Å; D513-F517 WeakPolarHBondContact O-CB 3.47Å; D513-F517 PolarHBondContact O-N 3.31Å
514	L	95.8	Very high	94.6	Very high	29 Å²	29	92.6 Å²	92.6	15%	0.152	43%	0.429	C	S	.	.	H	α-helix	trans	-61.9	-44.7	175.2	176.7	60	0	0	0	112.2	R510 K512 D516 F517 I518 M531 L532 F535	R510-L514 WeakPolarHBondContact O-CB 3.26Å; R510-L514 PolarHBondContact O-N 3.42Å; K512-L514 VanDerWaalsContact C-N 3.27Å; K512-L514 PolarHBondContact O-N 2.89Å; L514-D516 VanDerWaalsContact C-N 3.34Å; L514-F517 WeakPolarHBondContact O-CB 3.28Å; L514-F517 PolarHBondContact O-N 2.96Å; L514-I518 HydrophobicContact CD1-CD1 4.04Å; L514-I518 HydrophobicContact CD1-CG1 4.41Å; L514-I518 HydrophobicContact CG-CD1 3.96Å; L514-I518 WeakPolarHBondContact O-CD1 3.29Å; L514-I518 WeakPolarHBondContact O-CG1 3.45Å; L514-I518 PolarHBondContact O-N 2.84Å; L514-M531 HydrophobicContact CD1-CE 3.76Å; L514-L532 HydrophobicContact CD2-CD2 3.95Å; L514-L532 HydrophobicContact CG-CD2 4.36Å; L514-F535 HydrophobicContact CD2-CB 3.71Å; L514-F535 HydrophobicContact CD2-CD1 4.4Å; L514-F535 HydrophobicContact CD2-CD2 4.28Å; L514-F535 HydrophobicContact CD2-CG 3.87Å
515	K	95.1	Very high	94.6	Very high	107 Å²	107	90.9 Å²	90.9	47%	0.465	43%	0.428	S	S	.	.	H	α-helix	trans	-65.1	-38.5	177.2	-75.2	174.8	179.6	180	0	112.1	M511 K512 I518 R519 L532	M511-K515 HydrophobicContact CG-CD 4.44Å; M511-K515 WeakPolarHBondContact O-CG 3.36Å; M511-K515 PolarHBondContact O-N 2.67Å; M511-K515 VanDerWaalsContact O-N 3.07Å; M511-K515 HydrophobicContact SD-CD 4.49Å; K512-K515 WeakPolarHBondContact O-CB 3.44Å; K512-K515 PolarHBondContact O-N 3.39Å; K515-I518 PolarHBondContact O-N 3.25Å; K515-R519 WeakPolarHBondContact O-CB 3.39Å; K515-R519 PolarHBondContact O-N 2.86Å; K515-L532 HydrophobicContact CG-CD2 4.15Å
516	D	96.5	Very high	94.5	Very high	57 Å²	57	95.8 Å²	95.8	31%	0.305	44%	0.444	S	S	.	.	H	α-helix	trans	-68.3	-42	177	-72.1	-22	0	0	0	110.5	K512 D513 L514 I518 R519 V520	K512-D516 PolarHBondContact O-N 3.4Å; D513-D516 PolarHBondContact O-N 3.27Å; L514-D516 VanDerWaalsContact C-N 3.34Å; D516-I518 PolarHBondContact O-N 2.99Å; D516-R519 PolarHBondContact O-N 3.15Å; D516-R519 VanDerWaalsContact O-N 3.16Å; D516-R519 IonicContact OD1-NH1 3.92Å; D516-V520 VanDerWaalsContact O-CG2 3.31Å; D516-V520 WeakPolarHBondContact O-CG2 3.29Å; D516-V520 PolarHBondContact O-N 3.29Å
517	F	96.9	Very high	94.3	Very high	97 Å²	97	96 Å²	96	43%	0.425	45%	0.445	S	S	.	.	H	α-helix	trans	-55.9	-50.1	171.4	179.1	-92	0	0	0	111.9	D513 L514 R519 V520 H521 L523 M531	D513-F517 WeakPolarHBondContact O-CB 3.47Å; D513-F517 PolarHBondContact O-N 3.31Å; L514-F517 WeakPolarHBondContact O-CB 3.28Å; L514-F517 PolarHBondContact O-N 2.96Å; F517-R519 VanDerWaalsContact C-N 3.25Å; F517-R519 PolarHBondContact O-N 2.9Å; F517-V520 PolarHBondContact O-N 3.11Å; F517-H521 AromaticContact CD2-CD2 3.45Å; F517-H521 VanDerWaalsContact CD2-CD2 3.45Å; F517-H521 WeakPolarHBondContact CD2-CD2 3.45Å; F517-H521 AromaticContact CD2-NE2 3.6Å; F517-H521 AromaticContact CE1-CD2 3.97Å; F517-H521 AromaticContact CE2-CD2 3.29Å; F517-H521 WeakPolarHBondContact CE2-CD2 3.32Å; F517-H521 AromaticContact CE2-NE2 3.26Å; F517-H521 VanDerWaalsContact CE2-NE2 3.26Å; F517-H521 WeakPolarHBondContact CE2-NE2 3.39Å; F517-H521 AromaticContact CG-CD2 3.86Å; F517-H521 AromaticContact CZ-CD2 3.57Å; F517-H521 AromaticContact CZ-NE2 3.88Å; F517-H521 PolarHBondContact O-CD2 3.3Å; F517-H521 VanDerWaalsContact O-CD2 3.23Å; F517-H521 PolarHBondContact O-N 3.34Å; F517-L523 HydrophobicContact CD1-CD1 4.41Å; F517-L523 HydrophobicContact CE1-CD1 4.17Å; F517-M531 HydrophobicContact CD1-CE 4.16Å; F517-M531 HydrophobicContact CE1-CE 4.07Å
518	I	96.3	Very high	94.3	Very high	9 Å²	9	96.8 Å²	96.8	5%	0.046	45%	0.449	C	S	.	.	H	α-helix	trans	-57.4	-40.6	177.4	-71.8	161.9	0	0	0	111.4	L514 K515 D516 R522 L523 K528 M531 L532	L514-I518 HydrophobicContact CD1-CD1 4.04Å; L514-I518 HydrophobicContact CD1-CG1 4.41Å; L514-I518 HydrophobicContact CG-CD1 3.96Å; L514-I518 WeakPolarHBondContact O-CD1 3.29Å; L514-I518 WeakPolarHBondContact O-CG1 3.45Å; L514-I518 PolarHBondContact O-N 2.84Å; K515-I518 PolarHBondContact O-N 3.25Å; D516-I518 PolarHBondContact O-N 2.99Å; I518-R522 PolarHBondContact O-N 3.43Å; I518-L523 HydrophobicContact CG1-CD1 4.08Å; I518-L523 HydrophobicContact CG2-CB 4.33Å; I518-L523 PolarHBondContact O-N 3.46Å; I518-K528 HydrophobicContact CD1-CG 4.2Å; I518-K528 HydrophobicContact CG2-CB 3.86Å; I518-K528 HydrophobicContact CG2-CD 3.76Å; I518-K528 HydrophobicContact CG2-CG 3.8Å; I518-M531 HydrophobicContact CD1-CB 4.38Å; I518-M531 HydrophobicContact CD1-SD 4.41Å; I518-M531 HydrophobicContact CG1-CE 4.49Å; I518-M531 HydrophobicContact CG1-SD 4.08Å; I518-L532 HydrophobicContact CD1-CD2 4.36Å; I518-L532 HydrophobicContact CD1-CG 4.35Å
519	R	95.6	Very high	94.1	Very high	188 Å²	188	96.8 Å²	96.8	71%	0.709	45%	0.449	S	S	*	.	H	α-helix	trans	-69.7	-46.3	-179.9	-175.4	-174.4	-69.2	160.7	-2.8	111.8	K515 D516 F517 H521 R522	K515-R519 WeakPolarHBondContact O-CB 3.39Å; K515-R519 PolarHBondContact O-N 2.86Å; D516-R519 PolarHBondContact O-N 3.15Å; D516-R519 VanDerWaalsContact O-N 3.16Å; D516-R519 IonicContact OD1-NH1 3.92Å; F517-R519 VanDerWaalsContact C-N 3.25Å; F517-R519 PolarHBondContact O-N 2.9Å; R519-H521 VanDerWaalsContact C-N 3.35Å; R519-H521 PolarHBondContact O-N 3.44Å; R519-R522 PolarHBondContact O-N 2.96Å
520	V	97.6	Very high	93.7	Very high	110 Å²	110	99 Å²	99	67%	0.667	45%	0.45	S	S	*	.	H	α-helix	trans	-62	-43.9	-179.1	169.4	0	0	0	0	110.8	D516 F517 R522	D516-V520 VanDerWaalsContact O-CG2 3.31Å; D516-V520 WeakPolarHBondContact O-CG2 3.29Å; D516-V520 PolarHBondContact O-N 3.29Å; F517-V520 PolarHBondContact O-N 3.11Å; V520-R522 VanDerWaalsContact C-N 3.32Å; V520-R522 PolarHBondContact O-N 2.68Å
521	H	97	Very high	93.6	Very high	108 Å²	108	94.3 Å²	94.3	50%	0.5	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	1.4	-178.9	-66.5	-72.1	0	0	0	114.4	F517 R519 L523	F517-H521 AromaticContact CD2-CD2 3.45Å; F517-H521 VanDerWaalsContact CD2-CD2 3.45Å; F517-H521 WeakPolarHBondContact CD2-CD2 3.45Å; F517-H521 AromaticContact CD2-NE2 3.6Å; F517-H521 AromaticContact CE1-CD2 3.97Å; F517-H521 AromaticContact CE2-CD2 3.29Å; F517-H521 WeakPolarHBondContact CE2-CD2 3.32Å; F517-H521 AromaticContact CE2-NE2 3.26Å; F517-H521 VanDerWaalsContact CE2-NE2 3.26Å; F517-H521 WeakPolarHBondContact CE2-NE2 3.39Å; F517-H521 AromaticContact CG-CD2 3.86Å; F517-H521 AromaticContact CZ-CD2 3.57Å; F517-H521 AromaticContact CZ-NE2 3.88Å; F517-H521 PolarHBondContact O-CD2 3.3Å; F517-H521 VanDerWaalsContact O-CD2 3.23Å; F517-H521 PolarHBondContact O-N 3.34Å; R519-H521 VanDerWaalsContact C-N 3.35Å; R519-H521 PolarHBondContact O-N 3.44Å; H521-L523 VanDerWaalsContact C-N 3.3Å; H521-L523 HydrophobicContact CB-CD2 4Å; H521-L523 HydrophobicContact CB-CG 4.1Å; H521-L523 PolarHBondContact O-N 2.87Å
522	R	95.4	Very high	93.4	Very high	227 Å²	227	95.3 Å²	95.3	86%	0.857	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.2	47.3	179.3	-57.4	-175	-177.2	-166.3	1.2	113.2	I518 R519 V520	I518-R522 PolarHBondContact O-N 3.43Å; R519-R522 PolarHBondContact O-N 2.96Å; V520-R522 VanDerWaalsContact C-N 3.32Å; V520-R522 PolarHBondContact O-N 2.68Å
523	L	95.3	Very high	93	Very high	46 Å²	46	92 Å²	92	24%	0.241	43%	0.427	C	S	.	.			trans	-68.5	145.6	-177.4	-58.4	-178.6	0	0	0	111.7	F517 I518 H521 L527 M531	F517-L523 HydrophobicContact CD1-CD1 4.41Å; F517-L523 HydrophobicContact CE1-CD1 4.17Å; I518-L523 HydrophobicContact CG1-CD1 4.08Å; I518-L523 HydrophobicContact CG2-CB 4.33Å; I518-L523 PolarHBondContact O-N 3.46Å; H521-L523 VanDerWaalsContact C-N 3.3Å; H521-L523 HydrophobicContact CB-CD2 4Å; H521-L523 HydrophobicContact CB-CG 4.1Å; H521-L523 PolarHBondContact O-N 2.87Å; L523-L527 HydrophobicContact CD1-CD2 4.37Å; L523-L527 HydrophobicContact CD2-CD2 4.33Å; L523-M531 HydrophobicContact CD1-CE 4.27Å; L523-M531 HydrophobicContact CD1-SD 3.53Å; L523-M531 VanDerWaalsContact CD1-SD 3.53Å
524	P	95.6	Very high	92.4	Very high	81 Å²	81	94 Å²	94	53%	0.526	43%	0.429	S	S	.	.			trans	-64	150.3	179.6	25.3	-32.9	0	0	0	111.7	Q526 L527 K528	P524-Q526 VanDerWaalsContact C-N 3.26Å; P524-Q526 PolarHBondContact O-N 2.84Å; P524-L527 HydrophobicContact CG-CB 3.91Å; P524-L527 PolarHBondContact O-N 3.18Å; P524-L527 VanDerWaalsContact O-N 3.08Å; P524-K528 PolarHBondContact O-N 2.89Å
525	Q	90.3	Very high	92.1	Very high	128 Å²	128	94.7 Å²	94.7	60%	0.598	43%	0.431	S	S	*	.	H	α-helix	trans	-57.7	-36.2	-172.6	-176.3	68.4	6.1	0	0	113.1	K528 Q529	Q525-K528 PolarHBondContact O-N 3.46Å; Q525-Q529 PolarHBondContact O-N 2.85Å
526	Q	87.3	Confident	91.8	Very high	173 Å²	173	94.2 Å²	94.2	81%	0.808	43%	0.431	S	S	*	.	H	α-helix	trans	-64.4	-47	176.6	-69.2	178.4	-13.8	0	0	112	P524 K528 Q529 R530	P524-Q526 VanDerWaalsContact C-N 3.26Å; P524-Q526 PolarHBondContact O-N 2.84Å; Q526-K528 VanDerWaalsContact C-N 3.34Å; Q526-K528 PolarHBondContact O-N 3.47Å; Q526-Q529 PolarHBondContact O-N 3.23Å; Q526-R530 WeakPolarHBondContact O-CB 3.11Å; Q526-R530 PolarHBondContact O-N 2.96Å; Q526-R530 VanDerWaalsContact O-N 3.1Å
527	L	88.8	Confident	91.1	Very high	67 Å²	67	92.3 Å²	92.3	35%	0.351	42%	0.423	S	S	.	.	H	α-helix	trans	-67	-38.1	177.9	-175.4	62.3	0	0	0	111.4	L523 P524 R530 M531	L523-L527 HydrophobicContact CD1-CD2 4.37Å; L523-L527 HydrophobicContact CD2-CD2 4.33Å; P524-L527 HydrophobicContact CG-CB 3.91Å; P524-L527 PolarHBondContact O-N 3.18Å; P524-L527 VanDerWaalsContact O-N 3.08Å; L527-R530 WeakPolarHBondContact O-CB 3.31Å; L527-R530 PolarHBondContact O-N 3.31Å; L527-M531 HydrophobicContact CD1-CG 4.49Å; L527-M531 HydrophobicContact CG-CG 4.42Å; L527-M531 HydrophobicContact CG-SD 4.25Å; L527-M531 VanDerWaalsContact O-CG 3.26Å; L527-M531 WeakPolarHBondContact O-CG 3.46Å; L527-M531 PolarHBondContact O-N 3.23Å
528	K	90.8	Very high	90.4	Very high	70 Å²	70	89.7 Å²	89.7	30%	0.304	42%	0.415	S	S	.	.	H	α-helix	trans	-58.1	-49.1	173.9	163.8	178.7	174.8	-164.6	0	112	I518 P524 Q525 Q526 R530 M531 L532	I518-K528 HydrophobicContact CD1-CG 4.2Å; I518-K528 HydrophobicContact CG2-CB 3.86Å; I518-K528 HydrophobicContact CG2-CD 3.76Å; I518-K528 HydrophobicContact CG2-CG 3.8Å; P524-K528 PolarHBondContact O-N 2.89Å; Q525-K528 PolarHBondContact O-N 3.46Å; Q526-K528 VanDerWaalsContact C-N 3.34Å; Q526-K528 PolarHBondContact O-N 3.47Å; K528-R530 VanDerWaalsContact C-N 3.32Å; K528-M531 PolarHBondContact O-N 2.94Å; K528-L532 HydrophobicContact CG-CD1 4.05Å; K528-L532 VanDerWaalsContact O-CG 3.29Å; K528-L532 WeakPolarHBondContact O-CG 3.37Å; K528-L532 PolarHBondContact O-N 3.29Å; K528-L532 VanDerWaalsContact O-N 3.12Å
529	Q	89.3	Confident	89.9	Confident	104 Å²	104	91.6 Å²	91.6	49%	0.486	42%	0.422	S	S	.	.	H	α-helix	trans	-60.2	-47.2	179.3	179.4	169.3	-5	0	0	110.4	Q525 Q526 M531 L532 E533	Q525-Q529 PolarHBondContact O-N 2.85Å; Q526-Q529 PolarHBondContact O-N 3.23Å; Q529-M531 PolarHBondContact O-N 2.83Å; Q529-L532 PolarHBondContact O-N 2.96Å; Q529-L532 VanDerWaalsContact O-N 3.16Å; Q529-E533 HydrophobicContact CG-CG 4.42Å; Q529-E533 WeakPolarHBondContact CG-OE1 3.4Å; Q529-E533 PolarHBondContact NE2-OE1 3.49Å; Q529-E533 WeakPolarHBondContact O-CG 3.24Å; Q529-E533 PolarHBondContact O-N 3.26Å
530	R	86.1	Confident	89.3	Confident	113 Å²	113	86.6 Å²	86.6	43%	0.426	42%	0.415	S	S	.	.	H	α-helix	trans	-54.8	-48.8	175.4	177.5	169.8	-174.6	-158.5	4.6	113.3	Q526 L527 K528 L532 E533 Y534 E600	Q526-R530 WeakPolarHBondContact O-CB 3.11Å; Q526-R530 PolarHBondContact O-N 2.96Å; Q526-R530 VanDerWaalsContact O-N 3.1Å; L527-R530 WeakPolarHBondContact O-CB 3.31Å; L527-R530 PolarHBondContact O-N 3.31Å; K528-R530 VanDerWaalsContact C-N 3.32Å; R530-L532 VanDerWaalsContact C-N 3.3Å; R530-L532 PolarHBondContact O-N 2.94Å; R530-E533 PolarHBondContact O-N 3.46Å; R530-Y534 WeakPolarHBondContact O-CB 3.43Å; R530-Y534 PolarHBondContact O-N 2.99Å; R530-E600 WeakPolarHBondContact CD-OE1 3.37Å; R530-E600 WeakPolarHBondContact CG-OE1 3.24Å; R530-E600 IonicContact CZ-OE1 3.67Å; R530-E600 IonicContact CZ-OE2 3.59Å; R530-E600 IonicContact NE-OE1 3.01Å; R530-E600 PolarHBondContact NE-OE1 3.01Å; R530-E600 IonicContact NE-OE2 2.63Å; R530-E600 PolarHBondContact NE-OE2 3.12Å; R530-E600 VanDerWaalsContact NE-OE2 3.15Å; R530-E600 IonicContact NH2-OE1 2.8Å; R530-E600 IonicContact NH2-OE2 2.53Å; R530-E600 PolarHBondContact NH2-OE2 2.94Å
531	M	90	Very high	88.4	Confident	48 Å²	48	85.5 Å²	85.5	24%	0.236	41%	0.409	C	S	.	.	H	α-helix	trans	-62	-38.2	178.7	-71.6	176.3	84.5	0	0	112.3	L514 F517 I518 L523 L527 K528 Q529 F535	L514-M531 HydrophobicContact CD1-CE 3.76Å; F517-M531 HydrophobicContact CD1-CE 4.16Å; F517-M531 HydrophobicContact CE1-CE 4.07Å; I518-M531 HydrophobicContact CD1-CB 4.38Å; I518-M531 HydrophobicContact CD1-SD 4.41Å; I518-M531 HydrophobicContact CG1-CE 4.49Å; I518-M531 HydrophobicContact CG1-SD 4.08Å; L523-M531 HydrophobicContact CD1-CE 4.27Å; L523-M531 HydrophobicContact CD1-SD 3.53Å; L523-M531 VanDerWaalsContact CD1-SD 3.53Å; L527-M531 HydrophobicContact CD1-CG 4.49Å; L527-M531 HydrophobicContact CG-CG 4.42Å; L527-M531 HydrophobicContact CG-SD 4.25Å; L527-M531 VanDerWaalsContact O-CG 3.26Å; L527-M531 WeakPolarHBondContact O-CG 3.46Å; L527-M531 PolarHBondContact O-N 3.23Å; K528-M531 PolarHBondContact O-N 2.94Å; Q529-M531 PolarHBondContact O-N 2.83Å; M531-F535 WeakPolarHBondContact O-CB 3.37Å; M531-F535 PolarHBondContact O-N 3.43Å
532	L	91	Very high	87.6	Confident	30 Å²	30	82.9 Å²	82.9	16%	0.157	40%	0.398	C	S	.	.	H	α-helix	trans	-71.7	-43	179.7	-68.1	170.7	0	0	0	111.9	M511 L514 K515 I518 K528 Q529 R530 F535 Q536	M511-L532 HydrophobicContact CE-CD2 4.45Å; M511-L532 HydrophobicContact SD-CD2 3.53Å; M511-L532 VanDerWaalsContact SD-CD2 3.53Å; L514-L532 HydrophobicContact CD2-CD2 3.95Å; L514-L532 HydrophobicContact CG-CD2 4.36Å; K515-L532 HydrophobicContact CG-CD2 4.15Å; I518-L532 HydrophobicContact CD1-CD2 4.36Å; I518-L532 HydrophobicContact CD1-CG 4.35Å; K528-L532 HydrophobicContact CG-CD1 4.05Å; K528-L532 VanDerWaalsContact O-CG 3.29Å; K528-L532 WeakPolarHBondContact O-CG 3.37Å; K528-L532 PolarHBondContact O-N 3.29Å; K528-L532 VanDerWaalsContact O-N 3.12Å; Q529-L532 PolarHBondContact O-N 2.96Å; Q529-L532 VanDerWaalsContact O-N 3.16Å; R530-L532 VanDerWaalsContact C-N 3.3Å; R530-L532 PolarHBondContact O-N 2.94Å; L532-F535 PolarHBondContact O-N 3.06Å; L532-Q536 WeakPolarHBondContact O-CB 3.44Å; L532-Q536 VanDerWaalsContact O-CG 3.29Å; L532-Q536 WeakPolarHBondContact O-CG 3.34Å; L532-Q536 PolarHBondContact O-N 3.38Å
533	E	86.6	Confident	87	Confident	59 Å²	59	77.1 Å²	77.1	28%	0.276	39%	0.385	S	S	.	.	H	α-helix	trans	-63.5	-46.4	176.2	-73.8	172.2	-171.9	0	0	111	Q529 R530 F535 Q536 A537	Q529-E533 HydrophobicContact CG-CG 4.42Å; Q529-E533 WeakPolarHBondContact CG-OE1 3.4Å; Q529-E533 PolarHBondContact NE2-OE1 3.49Å; Q529-E533 WeakPolarHBondContact O-CG 3.24Å; Q529-E533 PolarHBondContact O-N 3.26Å; R530-E533 PolarHBondContact O-N 3.46Å; E533-F535 VanDerWaalsContact C-N 3.33Å; E533-F535 PolarHBondContact O-N 2.89Å; E533-Q536 PolarHBondContact O-N 3.36Å; E533-A537 WeakPolarHBondContact O-CB 3.38Å; E533-A537 PolarHBondContact O-N 3.08Å
534	Y	84.4	Confident	86.3	Confident	123 Å²	123	76.1 Å²	76.1	48%	0.482	39%	0.385	S	S	.	.	H	α-helix	trans	-55.7	-47.3	173.8	173.5	-95.2	0	0	0	111.9	R530 Q536 A537 T538 F595	R530-Y534 WeakPolarHBondContact O-CB 3.43Å; R530-Y534 PolarHBondContact O-N 2.99Å; Y534-Q536 PolarHBondContact O-N 3.49Å; Y534-A537 PolarHBondContact O-N 3.47Å; Y534-T538 VanDerWaalsContact O-CB 3.29Å; Y534-T538 WeakPolarHBondContact O-CB 3.44Å; Y534-T538 PolarHBondContact O-N 2.95Å; Y534-T538 PolarHBondContact O-OG1 2.91Å; Y534-F595 HydrophobicContact CD2-CB 4.48Å; Y534-F595 HydrophobicContact CD2-CD1 4.03Å; Y534-F595 HydrophobicContact CE2-CB 4.27Å
535	F	88.7	Confident	85.9	Confident	43 Å²	43	75.3 Å²	75.3	19%	0.189	38%	0.376	C	S	.	.	H	α-helix	trans	-64.4	-41.7	180	-178.5	-94.5	0	0	0	111.9	Y507 R510 M511 L514 M531 L532 E533 W539	Y507-F535 AromaticContact CD2-CE1 3.87Å; Y507-F535 HydrophobicContact CD2-CE1 3.87Å; Y507-F535 HydrophobicContact CE2-CD1 4.23Å; Y507-F535 AromaticContact CE2-CE1 3.69Å; Y507-F535 HydrophobicContact CE2-CE1 3.69Å; R510-F535 HydrophobicContact CB-CE2 4.16Å; R510-F535 HydrophobicContact CB-CZ 3.64Å; M511-F535 HydrophobicContact CB-CE1 4.2Å; M511-F535 HydrophobicContact CE-CD1 3.53Å; M511-F535 HydrophobicContact CE-CE1 3.92Å; M511-F535 HydrophobicContact SD-CD1 4.46Å; L514-F535 HydrophobicContact CD2-CB 3.71Å; L514-F535 HydrophobicContact CD2-CD1 4.4Å; L514-F535 HydrophobicContact CD2-CD2 4.28Å; L514-F535 HydrophobicContact CD2-CG 3.87Å; M531-F535 WeakPolarHBondContact O-CB 3.37Å; M531-F535 PolarHBondContact O-N 3.43Å; L532-F535 PolarHBondContact O-N 3.06Å; E533-F535 VanDerWaalsContact C-N 3.33Å; E533-F535 PolarHBondContact O-N 2.89Å; F535-W539 HydrophobicContact CE1-CE3 4.48Å; F535-W539 AromaticContact CZ-CE3 3.93Å; F535-W539 HydrophobicContact CZ-CE3 3.93Å; F535-W539 HydrophobicContact CZ-CZ3 4.38Å; F535-W539 VanDerWaalsContact O-CB 3.24Å; F535-W539 WeakPolarHBondContact O-CB 3.36Å; F535-W539 PolarHBondContact O-N 3.04Å
536	Q	87.8	Confident	85.5	Confident	97 Å²	97	73.4 Å²	73.4	45%	0.453	37%	0.369	S	S	.	.	H	α-helix	trans	-66	-45.6	177.5	-74.8	177.6	4.1	0	0	112.2	M511 L532 E533 Y534 W539 S540	M511-Q536 HydrophobicContact CE-CG 3.88Å; L532-Q536 WeakPolarHBondContact O-CB 3.44Å; L532-Q536 VanDerWaalsContact O-CG 3.29Å; L532-Q536 WeakPolarHBondContact O-CG 3.34Å; L532-Q536 PolarHBondContact O-N 3.38Å; E533-Q536 PolarHBondContact O-N 3.36Å; Y534-Q536 PolarHBondContact O-N 3.49Å; Q536-W539 PolarHBondContact O-N 3.26Å; Q536-S540 WeakPolarHBondContact O-CB 3.38Å; Q536-S540 PolarHBondContact O-N 2.83Å
537	A	81.8	Confident	85.2	Confident	17 Å²	17	68 Å²	68	14%	0.14	35%	0.349	C	S	.	.	H	α-helix	trans	-60.4	-52.8	176.7	0	0	0	0	0	110.7	E533 Y534 W539 S540 V541 F595	E533-A537 WeakPolarHBondContact O-CB 3.38Å; E533-A537 PolarHBondContact O-N 3.08Å; Y534-A537 PolarHBondContact O-N 3.47Å; A537-W539 VanDerWaalsContact C-N 3.28Å; A537-W539 PolarHBondContact O-N 3.09Å; A537-S540 PolarHBondContact O-N 2.81Å; A537-S540 PolarHBondContact O-OG 3.03Å; A537-V541 PolarHBondContact O-N 2.95Å; A537-V541 VanDerWaalsContact O-N 3.15Å; A537-F595 HydrophobicContact CB-CD1 4.09Å; A537-F595 HydrophobicContact CB-CD2 4.36Å; A537-F595 HydrophobicContact CB-CE1 3.49Å; A537-F595 VanDerWaalsContact CB-CE1 3.49Å; A537-F595 HydrophobicContact CB-CE2 3.8Å; A537-F595 HydrophobicContact CB-CG 4.47Å; A537-F595 HydrophobicContact CB-CZ 3.28Å
538	T	82.3	Confident	84.8	Confident	42 Å²	42	69.8 Å²	69.8	26%	0.258	36%	0.359	S	S	.	.	H	α-helix	trans	-57.3	-41	177.8	-55.1	0	0	0	0	111.9	Y534 N542	Y534-T538 VanDerWaalsContact O-CB 3.29Å; Y534-T538 WeakPolarHBondContact O-CB 3.44Å; Y534-T538 PolarHBondContact O-N 2.95Å; Y534-T538 PolarHBondContact O-OG1 2.91Å; T538-N542 WeakPolarHBondContact O-CB 3.43Å; T538-N542 PolarHBondContact O-N 3.24Å
539	W	86.9	Confident	84.5	Confident	50 Å²	50	72.9 Å²	72.9	19%	0.189	37%	0.374	C	S	.	.	H	α-helix	trans	-67.9	-36.9	177.5	-168.9	-83.2	0	0	0	112.7	L506 Y507 F535 Q536 A537 V541 N543 G544	L506-W539 HydrophobicContact CB-CH2 4.36Å; L506-W539 HydrophobicContact CD2-CH2 3.98Å; L506-W539 HydrophobicContact CG-CH2 3.91Å; Y507-W539 HydrophobicContact CD2-CB 4.35Å; Y507-W539 AromaticContact CD2-CD1 3.65Å; Y507-W539 AromaticContact CD2-CD2 3.57Å; Y507-W539 HydrophobicContact CD2-CD2 3.57Å; Y507-W539 AromaticContact CD2-CE2 3.66Å; Y507-W539 HydrophobicContact CD2-CE3 4.19Å; Y507-W539 AromaticContact CD2-CG 3.59Å; Y507-W539 HydrophobicContact CD2-CG 3.59Å; Y507-W539 HydrophobicContact CD2-CZ2 4.34Å; Y507-W539 AromaticContact CD2-NE1 3.68Å; Y507-W539 HydrophobicContact CE2-CB 4.31Å; Y507-W539 HydrophobicContact CE2-CD2 4.38Å; Y507-W539 AromaticContact CE2-CG 3.98Å; Y507-W539 HydrophobicContact CE2-CG 3.98Å; Y507-W539 HydrophobicContact CG-CD2 4.43Å; Y507-W539 HydrophobicContact CG-CZ2 4.44Å; F535-W539 HydrophobicContact CE1-CE3 4.48Å; F535-W539 AromaticContact CZ-CE3 3.93Å; F535-W539 HydrophobicContact CZ-CE3 3.93Å; F535-W539 HydrophobicContact CZ-CZ3 4.38Å; F535-W539 VanDerWaalsContact O-CB 3.24Å; F535-W539 WeakPolarHBondContact O-CB 3.36Å; F535-W539 PolarHBondContact O-N 3.04Å; Q536-W539 PolarHBondContact O-N 3.26Å; A537-W539 VanDerWaalsContact C-N 3.28Å; A537-W539 PolarHBondContact O-N 3.09Å; W539-V541 VanDerWaalsContact C-N 3.33Å; W539-V541 PolarHBondContact O-N 2.81Å; W539-N543 WeakPolarHBondContact O-CA 3.38Å; W539-N543 PolarHBondContact O-N 3.06Å; W539-G544 VanDerWaalsContact CE3-CA 3.49Å
540	S	83.1	Confident	84.5	Confident	82 Å²	82	72 Å²	72	57%	0.573	37%	0.372	S	S	*	.	H	α-helix	trans	-65.7	-35.1	178.6	74.5	0	0	0	0	112.7	Q536 A537	Q536-S540 WeakPolarHBondContact O-CB 3.38Å; Q536-S540 PolarHBondContact O-N 2.83Å; A537-S540 PolarHBondContact O-N 2.81Å; A537-S540 PolarHBondContact O-OG 3.03Å
541	V	77.5	Confident	84.5	Confident	87 Å²	87	67.6 Å²	67.6	53%	0.527	36%	0.357	S	S	.	.	H	α-helix	trans	-79	-48.5	178.2	180	0	0	0	0	111.3	A537 W539	A537-V541 PolarHBondContact O-N 2.95Å; A537-V541 VanDerWaalsContact O-N 3.15Å; W539-V541 VanDerWaalsContact C-N 3.33Å; W539-V541 PolarHBondContact O-N 2.81Å
542	N	80.6	Confident	84.4	Confident	54 Å²	54	72.2 Å²	72.2	29%	0.289	38%	0.378	S	S	.	.	H	α-helix	trans	-93.7	-5	-171.8	-65.5	-14.2	0	0	0	113.8	T538 G544 I545	T538-N542 WeakPolarHBondContact O-CB 3.43Å; T538-N542 PolarHBondContact O-N 3.24Å; N542-G544 PolarHBondContact O-N 3.16Å; N542-I545 WeakPolarHBondContact O-CB 3.23Å; N542-I545 PolarHBondContact O-N 3.13Å
543	N	82.3	Confident	84.2	Confident	106 Å²	106	77.1 Å²	77.1	57%	0.567	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	27.2	-172	-70.9	-53.6	0	0	0	114	W539	W539-N543 WeakPolarHBondContact O-CA 3.38Å; W539-N543 PolarHBondContact O-N 3.06Å
544	G	82.1	Confident	84.4	Confident	24 Å²	24	78.1 Å²	78.1	25%	0.247	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	73	22.3	-176.1	0	0	0	0	0	115.2	W539 N542	W539-G544 VanDerWaalsContact CE3-CA 3.49Å; N542-G544 PolarHBondContact O-N 3.16Å
545	I	86.2	Confident	84.7	Confident	65 Å²	65	76.7 Å²	76.7	33%	0.333	41%	0.413	S	S	.	.			trans	-97.7	125.2	176	-58.6	174.5	0	0	0	109.3	N542 T547 L550	N542-I545 WeakPolarHBondContact O-CB 3.23Å; N542-I545 PolarHBondContact O-N 3.13Å; I545-T547 PolarHBondContact O-N 3.26Å; I545-L550 HydrophobicContact CG2-CD2 4.08Å
546	N	82.3	Confident	84.6	Confident	87 Å²	87	79.8 Å²	79.8	47%	0.465	43%	0.432	S	S	.	.			trans	-81.6	107.3	169.7	-173	-4.3	0	0	0	108.9	N548 E549 L550	N546-N548 VanDerWaalsContact C-N 3.33Å; N546-N548 PolarHBondContact O-N 3.05Å; N546-N548 PolarHBondContact OD1-N 3.33Å; N546-E549 HydrophobicContact CB-CB 4.07Å; N546-E549 PolarHBondContact ND2-OE2 2.95Å; N546-E549 PolarHBondContact O-N 3.32Å; N546-L550 PolarHBondContact O-N 3.23Å; N546-L550 VanDerWaalsContact O-N 3.15Å
547	T	81.4	Confident	84.6	Confident	60 Å²	60	82.1 Å²	82.1	37%	0.368	44%	0.443	S	S	.	.	H	α-helix	trans	-61.6	-40.4	-177.6	48.1	0	0	0	0	112	I545 E549 L550 L551	I545-T547 PolarHBondContact O-N 3.26Å; T547-E549 PolarHBondContact O-N 3.1Å; T547-L550 PolarHBondContact O-N 3.24Å; T547-L551 VanDerWaalsContact O-CB 3.25Å; T547-L551 WeakPolarHBondContact O-CB 3.5Å; T547-L551 WeakPolarHBondContact O-CG 3.47Å; T547-L551 PolarHBondContact O-N 3.24Å
548	N	79.1	Confident	85	Confident	105 Å²	105	85.3 Å²	85.3	56%	0.561	46%	0.457	S	S	*	.	H	α-helix	trans	-66.3	-38.1	-177.2	-66.9	-26.4	0	0	0	112.7	N546 H552	N546-N548 VanDerWaalsContact C-N 3.33Å; N546-N548 PolarHBondContact O-N 3.05Å; N546-N548 PolarHBondContact OD1-N 3.33Å; N548-H552 PolarHBondContact O-N 3.42Å
549	E	86.1	Confident	85.4	Confident	135 Å²	135	86.1 Å²	86.1	63%	0.631	46%	0.455	S	S	*	.	H	α-helix	trans	-70.4	-45.4	177.5	-170.2	176.6	177.1	0	0	110.6	N546 T547 L551 H552	N546-E549 HydrophobicContact CB-CB 4.07Å; N546-E549 PolarHBondContact ND2-OE2 2.95Å; N546-E549 PolarHBondContact O-N 3.32Å; T547-E549 PolarHBondContact O-N 3.1Å; E549-L551 VanDerWaalsContact C-N 3.29Å; E549-L551 PolarHBondContact O-N 3.45Å; E549-H552 WeakPolarHBondContact O-CB 3.48Å; E549-H552 PolarHBondContact O-N 3.39Å; E549-H552 VanDerWaalsContact O-N 3.14Å
550	L	87.9	Confident	85.6	Confident	85 Å²	85	84.1 Å²	84.1	45%	0.445	45%	0.45	S	S	.	.	H	α-helix	trans	-60.9	-38.6	176.2	-179.4	66.4	0	0	0	112.3	I545 N546 T547 H552 D553 F554	I545-L550 HydrophobicContact CG2-CD2 4.08Å; N546-L550 PolarHBondContact O-N 3.23Å; N546-L550 VanDerWaalsContact O-N 3.15Å; T547-L550 PolarHBondContact O-N 3.24Å; L550-H552 PolarHBondContact O-N 2.89Å; L550-D553 PolarHBondContact O-N 3.1Å; L550-F554 HydrophobicContact CG-CE2 4.41Å; L550-F554 WeakPolarHBondContact O-CD2 3.4Å; L550-F554 WeakPolarHBondContact O-CE2 3.31Å
551	L	87.1	Confident	86	Confident	21 Å²	21	82.6 Å²	82.6	11%	0.11	44%	0.435	C	S	.	.	H	α-helix	trans	-70.5	-19.2	-179.9	-76.9	177.9	0	0	0	113.1	T547 E549 D553 F554 R559 I562	T547-L551 VanDerWaalsContact O-CB 3.25Å; T547-L551 WeakPolarHBondContact O-CB 3.5Å; T547-L551 WeakPolarHBondContact O-CG 3.47Å; T547-L551 PolarHBondContact O-N 3.24Å; E549-L551 VanDerWaalsContact C-N 3.29Å; E549-L551 PolarHBondContact O-N 3.45Å; L551-D553 VanDerWaalsContact C-N 3.29Å; L551-D553 PolarHBondContact O-N 2.78Å; L551-F554 PolarHBondContact O-N 3.17Å; L551-R559 HydrophobicContact CB-CG 3.98Å; L551-R559 HydrophobicContact CD2-CG 4.35Å; L551-R559 VanDerWaalsContact O-CD 3.28Å; L551-R559 WeakPolarHBondContact O-CD 3.46Å; L551-I562 HydrophobicContact CD2-CB 4.1Å; L551-I562 HydrophobicContact CD2-CD1 4.23Å; L551-I562 HydrophobicContact CD2-CG2 3.71Å
552	H	86.3	Confident	86.7	Confident	144 Å²	144	81 Å²	81	67%	0.667	42%	0.423	S	S	*	.	H	α-helix	trans	-74.1	-20.1	178.6	-162.1	-69.8	0	0	0	112.9	N548 E549 L550 F554	N548-H552 PolarHBondContact O-N 3.42Å; E549-H552 WeakPolarHBondContact O-CB 3.48Å; E549-H552 PolarHBondContact O-N 3.39Å; E549-H552 VanDerWaalsContact O-N 3.14Å; L550-H552 PolarHBondContact O-N 2.89Å; H552-F554 PolarHBondContact O-N 3.12Å
553	D	88.6	Confident	87.2	Confident	133 Å²	133	78.6 Å²	78.6	71%	0.711	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-13.7	177.2	-66.8	-22.6	0	0	0	112.9	L550 L551	L550-D553 PolarHBondContact O-N 3.1Å; L551-D553 VanDerWaalsContact C-N 3.29Å; L551-D553 PolarHBondContact O-N 2.78Å
554	F	89.4	Confident	87.7	Confident	81 Å²	81	76 Å²	76	36%	0.355	40%	0.396	S	S	.	.	S	Bend	trans	-100.7	150.1	-177.6	-61.4	-75.3	0	0	0	112.4	L550 L551 H552 L558 I562	L550-F554 HydrophobicContact CG-CE2 4.41Å; L550-F554 WeakPolarHBondContact O-CD2 3.4Å; L550-F554 WeakPolarHBondContact O-CE2 3.31Å; L551-F554 PolarHBondContact O-N 3.17Å; H552-F554 PolarHBondContact O-N 3.12Å; F554-L558 HydrophobicContact CB-CD2 4.32Å; F554-L558 HydrophobicContact CD1-CD2 3.62Å; F554-L558 HydrophobicContact CE1-CD2 4.31Å; F554-L558 HydrophobicContact CG-CD2 4.23Å; F554-I562 HydrophobicContact CD2-CD1 4.37Å
555	P	91.5	Very high	88.2	Confident	92 Å²	92	81.6 Å²	81.6	60%	0.597	42%	0.415	S	S	*	.			trans	-58.4	151.2	170.9	-22.2	32.7	0	0	0	112.5	E557 L558 R559	P555-E557 VanDerWaalsContact C-N 3.26Å; P555-E557 PolarHBondContact O-N 3.39Å; P555-E557 VanDerWaalsContact O-N 3.14Å; P555-L558 PolarHBondContact O-N 3.26Å; P555-L558 VanDerWaalsContact O-N 3.07Å; P555-R559 WeakPolarHBondContact O-CB 3.37Å; P555-R559 PolarHBondContact O-N 3.48Å
556	D	87.3	Confident	88.3	Confident	108 Å²	108	83 Å²	83	58%	0.578	42%	0.423	S	S	*	.	H	α-helix	trans	-53.5	-39	-174.4	-68.7	-29.7	0	0	0	113.7	R559 A560	D556-R559 PolarHBondContact O-N 3.25Å; D556-R559 IonicContact OD1-CZ 3.88Å; D556-R559 IonicContact OD1-NH1 3.18Å; D556-R559 PolarHBondContact OD1-NH1 3.33Å; D556-R559 VanDerWaalsContact OD1-NH1 3.08Å; D556-R559 IonicContact OD1-NH2 3.97Å; D556-R559 PolarHBondContact OD1-NH2 2.91Å; D556-A560 WeakPolarHBondContact O-CB 3.34Å; D556-A560 PolarHBondContact O-N 3Å
557	E	86.4	Confident	88.8	Confident	147 Å²	147	79.7 Å²	79.7	69%	0.687	41%	0.405	S	S	*	.	H	α-helix	trans	-63.7	-47.9	178.4	-65.7	-164.5	155.9	0	0	112.5	P555 R559 A560 D561	P555-E557 VanDerWaalsContact C-N 3.26Å; P555-E557 PolarHBondContact O-N 3.39Å; P555-E557 VanDerWaalsContact O-N 3.14Å; E557-R559 VanDerWaalsContact C-N 3.34Å; E557-A560 PolarHBondContact O-N 3.39Å; E557-D561 PolarHBondContact O-N 2.94Å
558	L	90.5	Very high	89.2	Confident	83 Å²	83	81.8 Å²	81.8	44%	0.435	41%	0.409	S	S	.	.	H	α-helix	trans	-69.5	-37.7	-180	-175.5	63	0	0	0	110.5	F554 P555 A560 D561 I562	F554-L558 HydrophobicContact CB-CD2 4.32Å; F554-L558 HydrophobicContact CD1-CD2 3.62Å; F554-L558 HydrophobicContact CE1-CD2 4.31Å; F554-L558 HydrophobicContact CG-CD2 4.23Å; P555-L558 PolarHBondContact O-N 3.26Å; P555-L558 VanDerWaalsContact O-N 3.07Å; L558-A560 VanDerWaalsContact C-N 3.35Å; L558-A560 PolarHBondContact O-N 3.4Å; L558-D561 PolarHBondContact O-N 3.12Å; L558-I562 HydrophobicContact CD1-CD1 4.4Å; L558-I562 HydrophobicContact CD1-CG1 4.47Å; L558-I562 HydrophobicContact CG-CD1 3.94Å; L558-I562 HydrophobicContact CG-CG1 4.45Å; L558-I562 VanDerWaalsContact O-CG1 3.25Å; L558-I562 WeakPolarHBondContact O-CG1 3.45Å; L558-I562 PolarHBondContact O-N 3.4Å
559	R	91.6	Very high	89.7	Confident	60 Å²	60	81.3 Å²	81.3	23%	0.226	41%	0.406	C	S	.	.	H	α-helix	trans	-58	-47.6	174.2	-171.3	177.7	69.5	-145.2	-6.8	111.3	L551 P555 D556 E557 I562 A563 L589	L551-R559 HydrophobicContact CB-CG 3.98Å; L551-R559 HydrophobicContact CD2-CG 4.35Å; L551-R559 VanDerWaalsContact O-CD 3.28Å; L551-R559 WeakPolarHBondContact O-CD 3.46Å; P555-R559 WeakPolarHBondContact O-CB 3.37Å; P555-R559 PolarHBondContact O-N 3.48Å; D556-R559 PolarHBondContact O-N 3.25Å; D556-R559 IonicContact OD1-CZ 3.88Å; D556-R559 IonicContact OD1-NH1 3.18Å; D556-R559 PolarHBondContact OD1-NH1 3.33Å; D556-R559 VanDerWaalsContact OD1-NH1 3.08Å; D556-R559 IonicContact OD1-NH2 3.97Å; D556-R559 PolarHBondContact OD1-NH2 2.91Å; E557-R559 VanDerWaalsContact C-N 3.34Å; R559-I562 PolarHBondContact O-N 3.31Å; R559-A563 VanDerWaalsContact O-CB 3.31Å; R559-A563 WeakPolarHBondContact O-CB 3.46Å; R559-A563 PolarHBondContact O-N 3.32Å; R559-L589 HydrophobicContact CG-CD2 3.82Å
560	A	90.7	Very high	89.9	Confident	8 Å²	8	75 Å²	75	7%	0.066	38%	0.377	C	S	.	.	H	α-helix	trans	-65.7	-38.7	179	0	0	0	0	0	112.5	D556 E557 L558 A563 M564 R585 S588 L589	D556-A560 WeakPolarHBondContact O-CB 3.34Å; D556-A560 PolarHBondContact O-N 3Å; E557-A560 PolarHBondContact O-N 3.39Å; L558-A560 VanDerWaalsContact C-N 3.35Å; L558-A560 PolarHBondContact O-N 3.4Å; A560-A563 PolarHBondContact O-N 3.36Å; A560-M564 VanDerWaalsContact O-CB 3.29Å; A560-M564 WeakPolarHBondContact O-CB 3.5Å; A560-M564 PolarHBondContact O-N 3.27Å; A560-R585 HydrophobicContact CB-CB 3.95Å; A560-R585 HydrophobicContact CB-CG 3.99Å; A560-S588 PolarHBondContact O-OG 2.61Å; A560-L589 HydrophobicContact CB-CD1 4.41Å
561	D	91.8	Very high	90.1	Very high	49 Å²	49	71.5 Å²	71.5	26%	0.262	36%	0.359	S	S	.	.	H	α-helix	trans	-67.7	-39.8	176.3	-78.4	-18	0	0	0	112.2	E557 L558 M564 H565 R581 R585	E557-D561 PolarHBondContact O-N 2.94Å; L558-D561 PolarHBondContact O-N 3.12Å; D561-M564 PolarHBondContact O-N 3.11Å; D561-H565 PolarHBondContact O-N 3.08Å; D561-H565 VanDerWaalsContact O-N 3.11Å; D561-R581 IonicContact OD1-NH2 2.72Å; D561-R581 IonicContact OD2-NH2 3.19Å; D561-R585 IonicContact OD1-CZ 3.7Å; D561-R585 IonicContact OD1-NE 2.83Å; D561-R585 PolarHBondContact OD1-NE 2.82Å; D561-R585 IonicContact OD1-NH2 3.64Å; D561-R585 PolarHBondContact OD1-NH2 3.43Å; D561-R585 IonicContact OD2-CZ 2.81Å; D561-R585 IonicContact OD2-NH2 3.36Å; D561-R585 PolarHBondContact OD2-NH2 3.27Å
562	I	92.3	Very high	90.3	Very high	53 Å²	53	76.5 Å²	76.5	27%	0.272	38%	0.381	S	S	.	.	H	α-helix	trans	-64.3	-47.7	172.9	-66	164.4	0	0	0	110.2	L551 F554 L558 R559 M564 H565 L566	L551-I562 HydrophobicContact CD2-CB 4.1Å; L551-I562 HydrophobicContact CD2-CD1 4.23Å; L551-I562 HydrophobicContact CD2-CG2 3.71Å; F554-I562 HydrophobicContact CD2-CD1 4.37Å; L558-I562 HydrophobicContact CD1-CD1 4.4Å; L558-I562 HydrophobicContact CD1-CG1 4.47Å; L558-I562 HydrophobicContact CG-CD1 3.94Å; L558-I562 HydrophobicContact CG-CG1 4.45Å; L558-I562 VanDerWaalsContact O-CG1 3.25Å; L558-I562 WeakPolarHBondContact O-CG1 3.45Å; L558-I562 PolarHBondContact O-N 3.4Å; R559-I562 PolarHBondContact O-N 3.31Å; I562-M564 VanDerWaalsContact C-N 3.3Å; I562-M564 PolarHBondContact O-N 3.43Å; I562-H565 WeakPolarHBondContact O-CB 3.43Å; I562-H565 PolarHBondContact O-N 3.36Å; I562-H565 VanDerWaalsContact O-N 3.08Å; I562-L566 HydrophobicContact CG2-CD1 3.89Å; I562-L566 HydrophobicContact CG2-CG 4.18Å; I562-L566 WeakPolarHBondContact O-CG 3.18Å; I562-L566 PolarHBondContact O-N 2.81Å
563	A	91.2	Very high	90.4	Very high	5 Å²	5	71 Å²	71	4%	0.041	36%	0.357	C	S	.	.	H	α-helix	trans	-60.8	-39.4	179.3	0	0	0	0	0	112	R559 A560 H565 L566 N567 S588 L589	R559-A563 VanDerWaalsContact O-CB 3.31Å; R559-A563 WeakPolarHBondContact O-CB 3.46Å; R559-A563 PolarHBondContact O-N 3.32Å; A560-A563 PolarHBondContact O-N 3.36Å; A563-H565 VanDerWaalsContact C-N 3.3Å; A563-H565 PolarHBondContact O-N 3.24Å; A563-L566 PolarHBondContact O-N 3.03Å; A563-N567 WeakPolarHBondContact O-CB 3.25Å; A563-N567 PolarHBondContact O-N 3.21Å; A563-N567 PolarHBondContact O-ND2 3.01Å; A563-N567 VanDerWaalsContact O-ND2 3.15Å; A563-S588 WeakPolarHBondContact CB-OG 3.47Å; A563-L589 HydrophobicContact CB-CD2 3.98Å
564	M	92.4	Very high	90.5	Very high	52 Å²	52	68.3 Å²	68.3	26%	0.256	35%	0.347	S	S	.	.	H	α-helix	trans	-64	-35.7	174.9	-170.9	-179.9	70.4	0	0	111.9	A560 D561 I562 K568 L571 R585 S588	A560-M564 VanDerWaalsContact O-CB 3.29Å; A560-M564 WeakPolarHBondContact O-CB 3.5Å; A560-M564 PolarHBondContact O-N 3.27Å; D561-M564 PolarHBondContact O-N 3.11Å; I562-M564 VanDerWaalsContact C-N 3.3Å; I562-M564 PolarHBondContact O-N 3.43Å; M564-K568 PolarHBondContact O-N 3.22Å; M564-L571 HydrophobicContact CB-CD1 4.37Å; M564-L571 HydrophobicContact CG-CD1 3.83Å; M564-R585 HydrophobicContact SD-CG 4.45Å; M564-S588 PolarHBondContact N-OG 3.22Å
565	H	92.3	Very high	90.5	Very high	141 Å²	141	64.5 Å²	64.5	65%	0.653	33%	0.33	S	S	*	.	H	α-helix	trans	-71.3	-43.7	175.2	-175.5	71.9	0	0	0	112.6	D561 I562 A563 N567 K568	D561-H565 PolarHBondContact O-N 3.08Å; D561-H565 VanDerWaalsContact O-N 3.11Å; I562-H565 WeakPolarHBondContact O-CB 3.43Å; I562-H565 PolarHBondContact O-N 3.36Å; I562-H565 VanDerWaalsContact O-N 3.08Å; A563-H565 VanDerWaalsContact C-N 3.3Å; A563-H565 PolarHBondContact O-N 3.24Å; H565-N567 VanDerWaalsContact C-N 3.28Å; H565-N567 PolarHBondContact O-N 3.17Å; H565-K568 WeakPolarHBondContact O-CB 3.41Å; H565-K568 PolarHBondContact O-N 3.48Å
566	L	89.2	Confident	90.4	Very high	95 Å²	95	60.4 Å²	60.4	50%	0.497	30%	0.303	S	S	.	.	H	α-helix	trans	-62.6	-37.1	177.9	-69.4	174.4	0	0	0	112	I562 A563	I562-L566 HydrophobicContact CG2-CD1 3.89Å; I562-L566 HydrophobicContact CG2-CG 4.18Å; I562-L566 WeakPolarHBondContact O-CG 3.18Å; I562-L566 PolarHBondContact O-N 2.81Å; A563-L566 PolarHBondContact O-N 3.03Å
567	N	91.2	Very high	90.4	Very high	16 Å²	16	62.8 Å²	62.8	9%	0.086	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	27.2	-177.2	-58.6	-43.7	0	0	0	112.3	A563 H565 D569 I570 L571 S588 I591 Q664	A563-N567 WeakPolarHBondContact O-CB 3.25Å; A563-N567 PolarHBondContact O-N 3.21Å; A563-N567 PolarHBondContact O-ND2 3.01Å; A563-N567 VanDerWaalsContact O-ND2 3.15Å; H565-N567 VanDerWaalsContact C-N 3.28Å; H565-N567 PolarHBondContact O-N 3.17Å; N567-D569 VanDerWaalsContact C-N 3.28Å; N567-D569 PolarHBondContact O-N 3.35Å; N567-I570 HydrophobicContact CB-CG2 3.98Å; N567-I570 WeakPolarHBondContact O-CG2 3.12Å; N567-L571 HydrophobicContact CB-CD1 4.34Å; N567-L571 WeakPolarHBondContact O-CB 3.27Å; N567-L571 WeakPolarHBondContact O-CG 3.19Å; N567-L571 PolarHBondContact O-N 3.38Å; N567-S588 PolarHBondContact ND2-O 3.2Å; N567-I591 HydrophobicContact CB-CB 4.31Å; N567-I591 HydrophobicContact CB-CD1 3.58Å; N567-I591 HydrophobicContact CB-CG2 4.1Å; N567-I591 VanDerWaalsContact CG-CG2 3.5Å; N567-I591 WeakPolarHBondContact OD1-CG2 3.3Å; N567-Q664 PolarHBondContact OD1-NE2 3.41Å
568	K	91.4	Very high	90.5	Very high	105 Å²	105	62.7 Å²	62.7	46%	0.457	30%	0.304	S	S	.	.	H	α-helix	trans	-59.6	-39.1	-176.3	-174.7	-177	176.8	-168.8	0	112.3	M564 H565 L571 Q572	M564-K568 PolarHBondContact O-N 3.22Å; H565-K568 WeakPolarHBondContact O-CB 3.41Å; H565-K568 PolarHBondContact O-N 3.48Å; K568-L571 PolarHBondContact O-N 3.43Å; K568-Q572 HydrophobicContact CG-CG 4.2Å; K568-Q572 WeakPolarHBondContact O-CB 3.35Å; K568-Q572 VanDerWaalsContact O-CG 3.28Å; K568-Q572 WeakPolarHBondContact O-CG 3.27Å; K568-Q572 PolarHBondContact O-N 2.87Å
569	D	88.8	Confident	90.5	Very high	94 Å²	94	59.2 Å²	59.2	50%	0.503	29%	0.287	S	S	.	.	H	α-helix	trans	-62.8	-46.5	-173.7	-63.7	-18.1	0	0	0	112.2	N567 F614	N567-D569 VanDerWaalsContact C-N 3.28Å; N567-D569 PolarHBondContact O-N 3.35Å; D569-F614 HydrophobicContact CB-CE1 4.01Å; D569-F614 HydrophobicContact CB-CZ 4.44Å
570	I	91.1	Very high	90.6	Very high	2 Å²	2	59.2 Å²	59.2	1%	0.01	30%	0.296	C	S	.	.	H	α-helix	trans	-70.1	-37.8	175.5	-175.3	175.3	0	0	0	112	N567 Q572 L573 F576 I591 F614 Q664 I666	N567-I570 HydrophobicContact CB-CG2 3.98Å; N567-I570 WeakPolarHBondContact O-CG2 3.12Å; I570-Q572 PolarHBondContact O-N 2.94Å; I570-L573 HydrophobicContact CG1-CD1 4.09Å; I570-L573 WeakPolarHBondContact O-CB 3.2Å; I570-L573 WeakPolarHBondContact O-CD1 3.48Å; I570-L573 VanDerWaalsContact O-CG 3.28Å; I570-L573 WeakPolarHBondContact O-CG 3.32Å; I570-L573 PolarHBondContact O-N 2.95Å; I570-F576 HydrophobicContact CG1-CE2 4.14Å; I570-F576 WeakPolarHBondContact O-CD2 3.3Å; I570-I591 HydrophobicContact CG2-CD1 3.67Å; I570-I591 HydrophobicContact CG2-CG2 4.36Å; I570-F614 HydrophobicContact CB-CB 4.38Å; I570-F614 HydrophobicContact CB-CD1 3.79Å; I570-F614 HydrophobicContact CB-CE1 4.26Å; I570-F614 HydrophobicContact CB-CG 4.08Å; I570-F614 HydrophobicContact CD1-CB 3.77Å; I570-F614 HydrophobicContact CD1-CG 4.39Å; I570-F614 HydrophobicContact CG1-CB 3.98Å; I570-F614 HydrophobicContact CG1-CD1 4.31Å; I570-F614 HydrophobicContact CG1-CG 4.09Å; I570-Q664 HydrophobicContact CD1-CB 4.41Å; I570-I666 HydrophobicContact CD1-CD1 4.08Å; I570-I666 HydrophobicContact CD1-CG1 4.25Å
571	L	91.8	Very high	90.6	Very high	13 Å²	13	66 Å²	66	7%	0.068	32%	0.32	C	S	.	.	H	α-helix	trans	-72.3	-12.2	-179.3	-65.4	173.4	0	0	0	113.5	M564 N567 K568 F576 L584 L587 I591	M564-L571 HydrophobicContact CB-CD1 4.37Å; M564-L571 HydrophobicContact CG-CD1 3.83Å; N567-L571 HydrophobicContact CB-CD1 4.34Å; N567-L571 WeakPolarHBondContact O-CB 3.27Å; N567-L571 WeakPolarHBondContact O-CG 3.19Å; N567-L571 PolarHBondContact O-N 3.38Å; K568-L571 PolarHBondContact O-N 3.43Å; L571-F576 WeakPolarHBondContact O-CB 3.42Å; L571-L584 HydrophobicContact CB-CD2 4.43Å; L571-L584 HydrophobicContact CD2-CD2 3.89Å; L571-L587 HydrophobicContact CD2-CB 4.49Å; L571-I591 HydrophobicContact CD2-CD1 3.93Å; L571-I591 HydrophobicContact CG-CD1 4.13Å
572	Q	89.8	Confident	90.6	Very high	125 Å²	125	65.1 Å²	65.1	58%	0.584	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-3.4	174.2	-77.9	-173.9	-39.4	0	0	113.6	K568 I570	K568-Q572 HydrophobicContact CG-CG 4.2Å; K568-Q572 WeakPolarHBondContact O-CB 3.35Å; K568-Q572 VanDerWaalsContact O-CG 3.28Å; K568-Q572 WeakPolarHBondContact O-CG 3.27Å; K568-Q572 PolarHBondContact O-N 2.87Å; I570-Q572 PolarHBondContact O-N 2.94Å
573	L	89.9	Confident	90.6	Very high	29 Å²	29	62.6 Å²	62.6	15%	0.152	31%	0.31	C	S	.	.	S	Bend	trans	-61.6	148.7	175.8	-68.7	172	0	0	0	111.2	I570 V575 F576 E577 F614 L637	I570-L573 HydrophobicContact CG1-CD1 4.09Å; I570-L573 WeakPolarHBondContact O-CB 3.2Å; I570-L573 WeakPolarHBondContact O-CD1 3.48Å; I570-L573 VanDerWaalsContact O-CG 3.28Å; I570-L573 WeakPolarHBondContact O-CG 3.32Å; I570-L573 PolarHBondContact O-N 2.95Å; L573-V575 HydrophobicContact CB-CG1 4.13Å; L573-V575 PolarHBondContact O-N 3.13Å; L573-V575 VanDerWaalsContact O-N 3.07Å; L573-F576 HydrophobicContact CB-CD2 4.12Å; L573-F576 HydrophobicContact CD1-CE2 4.47Å; L573-F576 PolarHBondContact O-N 3.23Å; L573-E577 PolarHBondContact O-N 2.94Å; L573-F614 HydrophobicContact CD1-CD2 3.78Å; L573-F614 HydrophobicContact CD1-CE2 4.03Å; L573-F614 HydrophobicContact CD2-CD2 4.44Å; L573-F614 HydrophobicContact CD2-CE2 3.92Å; L573-F614 HydrophobicContact CG-CD2 4.48Å; L573-F614 HydrophobicContact CG-CE2 4.24Å; L573-L637 HydrophobicContact CD1-CD1 4.11Å; L573-L637 HydrophobicContact CD1-CD2 4.4Å
574	P	89.1	Confident	90.7	Very high	76 Å²	76	63.8 Å²	63.8	49%	0.494	32%	0.315	S	S	.	.	H	α-helix	trans	-56.3	-31.3	-177.5	-23.7	32.4	0	0	0	113.4	F576 E577	P574-F576 PolarHBondContact O-N 3.1Å; P574-E577 PolarHBondContact O-N 2.95Å
575	V	89.8	Confident	90.7	Very high	1 Å²	1	64.2 Å²	64.2	1%	0.006	31%	0.314	C	S	.	.	H	α-helix	trans	-60.6	-29.3	176.6	75.7	0	0	0	0	112.6	L573 Y681 F685 D688 I689 N692	L573-V575 HydrophobicContact CB-CG1 4.13Å; L573-V575 PolarHBondContact O-N 3.13Å; L573-V575 VanDerWaalsContact O-N 3.07Å; V575-Y681 PolarHBondContact O-OH 3.44Å; V575-F685 HydrophobicContact CB-CE2 4.5Å; V575-F685 HydrophobicContact CG1-CE2 4.27Å; V575-F685 HydrophobicContact CG2-CD2 3.66Å; V575-F685 HydrophobicContact CG2-CE2 3.5Å; V575-F685 VanDerWaalsContact CG2-CE2 3.5Å; V575-F685 HydrophobicContact CG2-CZ 4.24Å; V575-D688 HydrophobicContact CG2-CB 4.32Å; V575-I689 HydrophobicContact CG2-CB 4.28Å; V575-N692 HydrophobicContact CB-CB 4.29Å
576	F	90.6	Very high	90.7	Very high	7 Å²	7	59 Å²	59	3%	0.031	29%	0.294	C	S	.	.	H	α-helix	trans	-99.5	-7.6	-178.9	-61	-64.6	0	0	0	114.5	I570 L571 L573 P574 R578 A579 L584 L587 I666 Y681 F685	I570-F576 HydrophobicContact CG1-CE2 4.14Å; I570-F576 WeakPolarHBondContact O-CD2 3.3Å; L571-F576 WeakPolarHBondContact O-CB 3.42Å; L573-F576 HydrophobicContact CB-CD2 4.12Å; L573-F576 HydrophobicContact CD1-CE2 4.47Å; L573-F576 PolarHBondContact O-N 3.23Å; P574-F576 PolarHBondContact O-N 3.1Å; F576-R578 VanDerWaalsContact C-N 3.27Å; F576-R578 PolarHBondContact O-N 3.45Å; F576-A579 VanDerWaalsContact O-CB 3.25Å; F576-A579 WeakPolarHBondContact O-CB 3.1Å; F576-A579 PolarHBondContact O-N 3.11Å; F576-L584 HydrophobicContact CB-CD2 4.01Å; F576-L587 HydrophobicContact CD1-CD1 3.86Å; F576-L587 HydrophobicContact CE1-CD1 3.8Å; F576-I666 HydrophobicContact CZ-CD1 4.12Å; F576-Y681 WeakPolarHBondContact CA-OH 3.5Å; F576-Y681 WeakPolarHBondContact CD1-OH 3.26Å; F576-F685 HydrophobicContact CD1-CE2 4.15Å; F576-F685 HydrophobicContact CE1-CD2 4.34Å; F576-F685 AromaticContact CE1-CE2 3.5Å; F576-F685 HydrophobicContact CE1-CE2 3.5Å; F576-F685 VanDerWaalsContact CE1-CE2 3.5Å; F576-F685 HydrophobicContact CE1-CZ 4.26Å; F576-F685 AromaticContact CZ-CE2 3.97Å; F576-F685 HydrophobicContact CZ-CE2 3.97Å; F576-F685 HydrophobicContact CZ-CZ 4.43Å
577	E	87.4	Confident	90.9	Very high	158 Å²	158	54.5 Å²	54.5	74%	0.738	27%	0.27	S	S	*	.	H	α-helix	trans	-59.6	-36	-174.8	-171.2	-178.8	-175.4	0	0	113.1	L573 P574	L573-E577 PolarHBondContact O-N 2.94Å; P574-E577 PolarHBondContact O-N 2.95Å
578	R	87.2	Confident	90.9	Very high	144 Å²	144	53.8 Å²	53.8	54%	0.543	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-0.1	-179	-65.2	-178.8	176.7	159	-1.7	114	F576 D688	F576-R578 VanDerWaalsContact C-N 3.27Å; F576-R578 PolarHBondContact O-N 3.45Å; R578-D688 IonicContact NH1-OD2 3.84Å
579	A	91.4	Very high	90.9	Very high	11 Å²	11	52 Å²	52	9%	0.091	26%	0.262	C	S	.	.	S	Bend	trans	-70.6	141.5	179.6	0	0	0	0	0	110.9	F576 C583 L584 Y681	F576-A579 VanDerWaalsContact O-CB 3.25Å; F576-A579 WeakPolarHBondContact O-CB 3.1Å; F576-A579 PolarHBondContact O-N 3.11Å; A579-C583 HydrophobicContact CB-CB 4.29Å; A579-L584 HydrophobicContact CB-CD2 3.7Å; A579-L584 HydrophobicContact CB-CG 3.77Å; A579-Y681 HydrophobicContact CB-CD1 4.34Å; A579-Y681 HydrophobicContact CB-CD2 4.14Å; A579-Y681 HydrophobicContact CB-CE1 3.89Å; A579-Y681 HydrophobicContact CB-CE2 3.72Å; A579-Y681 HydrophobicContact CB-CG 4.44Å
580	S	92.9	Very high	91	Very high	59 Å²	59	51 Å²	51	41%	0.413	25%	0.254	S	S	.	.			trans	-65	153.7	171.1	75.7	0	0	0	0	110.5	G582 C583 L584	S580-G582 PolarHBondContact O-N 3.03Å; S580-C583 WeakPolarHBondContact O-CA 3.43Å; S580-C583 WeakPolarHBondContact O-CB 3.37Å; S580-C583 PolarHBondContact O-N 2.95Å; S580-C583 WeakPolarHBondContact OG-CB 3.29Å; S580-C583 PolarHBondContact OG-N 3.3Å; S580-L584 PolarHBondContact O-N 2.97Å
581	R	91.4	Very high	91	Very high	151 Å²	151	51.6 Å²	51.6	57%	0.57	26%	0.256	S	S	*	.	H	α-helix	trans	-57	-33.9	177	-172.8	178.5	173.1	-169.6	-0.7	112.7	D561 R585	D561-R581 IonicContact OD1-NH2 2.72Å; D561-R581 IonicContact OD2-NH2 3.19Å; R581-R585 WeakPolarHBondContact O-CB 3.38Å; R581-R585 VanDerWaalsContact O-CG 3.32Å; R581-R585 WeakPolarHBondContact O-CG 3.34Å; R581-R585 PolarHBondContact O-N 3.48Å
582	G	91.5	Very high	90.8	Very high	30 Å²	30	56.1 Å²	56.1	31%	0.309	28%	0.276	S	S	.	.	H	α-helix	trans	-66.2	-40.5	174.6	0	0	0	0	0	112.7	S580 R585 S586 Y678	S580-G582 PolarHBondContact O-N 3.03Å; G582-R585 PolarHBondContact O-N 3.29Å; G582-S586 PolarHBondContact O-N 3.49Å; G582-S586 PolarHBondContact O-OG 2.9Å; G582-Y678 PolarHBondContact O-OH 3.33Å
583	C	93	Very high	90.7	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-63.7	-49.3	174.6	-175.4	0	0	0	0	111.2	A579 S580 R585 S586 L587 Y678 Y681	A579-C583 HydrophobicContact CB-CB 4.29Å; S580-C583 WeakPolarHBondContact O-CA 3.43Å; S580-C583 WeakPolarHBondContact O-CB 3.37Å; S580-C583 PolarHBondContact O-N 2.95Å; S580-C583 WeakPolarHBondContact OG-CB 3.29Å; S580-C583 PolarHBondContact OG-N 3.3Å; C583-R585 VanDerWaalsContact C-N 3.31Å; C583-R585 PolarHBondContact O-N 2.71Å; C583-S586 PolarHBondContact O-N 3.01Å; C583-L587 WeakPolarHBondContact O-CG 3.43Å; C583-L587 PolarHBondContact O-N 3.38Å; C583-Y678 HydrophobicContact CB-CD1 4.05Å; C583-Y678 HydrophobicContact CB-CD2 3.81Å; C583-Y678 HydrophobicContact CB-CE1 4.19Å; C583-Y678 HydrophobicContact CB-CE2 3.96Å; C583-Y678 HydrophobicContact CB-CG 3.86Å; C583-Y681 VanDerWaalsContact SG-CD1 3.52Å
584	L	93.2	Very high	90.5	Very high	31 Å²	31	55.1 Å²	55.1	16%	0.162	28%	0.281	C	S	.	.	H	α-helix	trans	-58.4	-41	177.4	-67.6	173.2	0	0	0	112.5	L571 F576 A579 S580 S586 L587 S588	L571-L584 HydrophobicContact CB-CD2 4.43Å; L571-L584 HydrophobicContact CD2-CD2 3.89Å; F576-L584 HydrophobicContact CB-CD2 4.01Å; A579-L584 HydrophobicContact CB-CD2 3.7Å; A579-L584 HydrophobicContact CB-CG 3.77Å; S580-L584 PolarHBondContact O-N 2.97Å; L584-S586 VanDerWaalsContact C-N 3.34Å; L584-L587 PolarHBondContact O-N 2.95Å; L584-S588 VanDerWaalsContact O-CB 3.27Å; L584-S588 WeakPolarHBondContact O-CB 3.42Å; L584-S588 PolarHBondContact O-N 3.32Å; L584-S588 PolarHBondContact O-OG 3.26Å
585	R	92.6	Very high	90.4	Very high	60 Å²	60	52.9 Å²	52.9	23%	0.226	26%	0.264	C	S	.	.	H	α-helix	trans	-62.8	-38.4	174.6	-82.9	176.2	167.4	-176.5	-8.5	112.9	A560 D561 M564 R581 G582 C583 S588 L589	A560-R585 HydrophobicContact CB-CB 3.95Å; A560-R585 HydrophobicContact CB-CG 3.99Å; D561-R585 IonicContact OD1-CZ 3.7Å; D561-R585 IonicContact OD1-NE 2.83Å; D561-R585 PolarHBondContact OD1-NE 2.82Å; D561-R585 IonicContact OD1-NH2 3.64Å; D561-R585 PolarHBondContact OD1-NH2 3.43Å; D561-R585 IonicContact OD2-CZ 2.81Å; D561-R585 IonicContact OD2-NH2 3.36Å; D561-R585 PolarHBondContact OD2-NH2 3.27Å; M564-R585 HydrophobicContact SD-CG 4.45Å; R581-R585 WeakPolarHBondContact O-CB 3.38Å; R581-R585 VanDerWaalsContact O-CG 3.32Å; R581-R585 WeakPolarHBondContact O-CG 3.34Å; R581-R585 PolarHBondContact O-N 3.48Å; G582-R585 PolarHBondContact O-N 3.29Å; C583-R585 VanDerWaalsContact C-N 3.31Å; C583-R585 PolarHBondContact O-N 2.71Å; R585-S588 PolarHBondContact O-OG 3.44Å; R585-L589 WeakPolarHBondContact O-CG 3.4Å
586	S	91.8	Very high	90.4	Very high	33 Å²	33	53.1 Å²	53.1	23%	0.231	27%	0.265	C	S	.	.	H	α-helix	trans	-72.4	-43.6	178.2	-56.8	0	0	0	0	110.9	G582 C583 L584 S588 H590	G582-S586 PolarHBondContact O-N 3.49Å; G582-S586 PolarHBondContact O-OG 2.9Å; C583-S586 PolarHBondContact O-N 3.01Å; L584-S586 VanDerWaalsContact C-N 3.34Å; S586-S588 PolarHBondContact O-N 2.99Å; S586-H590 PolarHBondContact O-CD2 3.36Å; S586-H590 VanDerWaalsContact O-CD2 3.24Å
587	L	92.6	Very high	90.2	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-61.7	-41.7	175.3	-71.7	171	0	0	0	112.1	L571 F576 C583 L584 L589 H590 I591 L671 V674	L571-L587 HydrophobicContact CD2-CB 4.49Å; F576-L587 HydrophobicContact CD1-CD1 3.86Å; F576-L587 HydrophobicContact CE1-CD1 3.8Å; C583-L587 WeakPolarHBondContact O-CG 3.43Å; C583-L587 PolarHBondContact O-N 3.38Å; L584-L587 PolarHBondContact O-N 2.95Å; L587-L589 PolarHBondContact O-N 3.03Å; L587-H590 PolarHBondContact O-N 3.5Å; L587-I591 PolarHBondContact O-N 3Å; L587-L671 HydrophobicContact CD2-CD1 3.63Å; L587-V674 HydrophobicContact CD2-CB 3.86Å; L587-V674 HydrophobicContact CD2-CG1 3.75Å; L587-V674 HydrophobicContact CD2-CG2 4.22Å; L587-V674 HydrophobicContact CG-CB 4.46Å; L587-V674 HydrophobicContact CG-CG1 3.81Å
588	S	92.6	Very high	90.3	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.007	25%	0.249	C	C	.	.	H	α-helix	trans	-61.3	-30.2	-174.5	74	0	0	0	0	113.7	A560 A563 M564 N567 L584 R585 S586 H590	A560-S588 PolarHBondContact O-OG 2.61Å; A563-S588 WeakPolarHBondContact CB-OG 3.47Å; M564-S588 PolarHBondContact N-OG 3.22Å; N567-S588 PolarHBondContact ND2-O 3.2Å; L584-S588 VanDerWaalsContact O-CB 3.27Å; L584-S588 WeakPolarHBondContact O-CB 3.42Å; L584-S588 PolarHBondContact O-N 3.32Å; L584-S588 PolarHBondContact O-OG 3.26Å; R585-S588 PolarHBondContact O-OG 3.44Å; S586-S588 PolarHBondContact O-N 2.99Å; S588-H590 VanDerWaalsContact C-N 3.28Å; S588-H590 PolarHBondContact O-N 3.35Å
589	L	90.1	Very high	90.3	Very high	68 Å²	68	43.4 Å²	43.4	36%	0.356	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-21.6	177	-66.3	172.3	0	0	0	113.2	R559 A560 A563 R585 L587	R559-L589 HydrophobicContact CG-CD2 3.82Å; A560-L589 HydrophobicContact CB-CD1 4.41Å; A563-L589 HydrophobicContact CB-CD2 3.98Å; R585-L589 WeakPolarHBondContact O-CG 3.4Å; L587-L589 PolarHBondContact O-N 3.03Å
590	H	91	Very high	90.2	Very high	73 Å²	73	44.4 Å²	44.4	34%	0.338	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-7.6	-178.6	-68.5	-69.3	0	0	0	113.9	S586 L587 S588 A670	S586-H590 PolarHBondContact O-CD2 3.36Å; S586-H590 VanDerWaalsContact O-CD2 3.24Å; L587-H590 PolarHBondContact O-N 3.5Å; S588-H590 VanDerWaalsContact C-N 3.28Å; S588-H590 PolarHBondContact O-N 3.35Å; H590-A670 HydrophobicContact CB-CB 3.84Å
591	I	91	Very high	90.1	Very high	13 Å²	13	45.4 Å²	45.4	7%	0.067	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	127.6	175.6	-64.3	162.5	0	0	0	109.2	N567 I570 L571 L587 Q664 I666	N567-I591 HydrophobicContact CB-CB 4.31Å; N567-I591 HydrophobicContact CB-CD1 3.58Å; N567-I591 HydrophobicContact CB-CG2 4.1Å; N567-I591 VanDerWaalsContact CG-CG2 3.5Å; N567-I591 WeakPolarHBondContact OD1-CG2 3.3Å; I570-I591 HydrophobicContact CG2-CD1 3.67Å; I570-I591 HydrophobicContact CG2-CG2 4.36Å; L571-I591 HydrophobicContact CD2-CD1 3.93Å; L571-I591 HydrophobicContact CG-CD1 4.13Å; L587-I591 PolarHBondContact O-N 3Å; I591-Q664 HydrophobicContact CG2-CB 4.12Å; I591-Q664 HydrophobicContact CG2-CG 4.24Å; I591-I666 HydrophobicContact CB-CG1 4.41Å; I591-I666 HydrophobicContact CD1-CD1 4.18Å; I591-I666 HydrophobicContact CG1-CD1 3.64Å; I591-I666 HydrophobicContact CG1-CG1 3.5Å
592	K	88.6	Confident	90.1	Very high	109 Å²	109	39.6 Å²	39.6	47%	0.474	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	160.1	177.4	-69.3	178.9	-178	178.2	0	110	Q664 Y665	K592-Q664 CarbonylContact O-C 3.57Å; K592-Q664 VanDerWaalsContact O-CA 3.32Å; K592-Q664 WeakPolarHBondContact O-CA 3.29Å; K592-Y665 HydrophobicContact CB-CD1 4.19Å; K592-Y665 HydrophobicContact CB-CE1 3.6Å; K592-Y665 HydrophobicContact CB-CE2 3.97Å; K592-Y665 VanDerWaalsContact CB-CZ 3.48Å; K592-Y665 HydrophobicContact CD-CE2 4.21Å; K592-Y665 WeakPolarHBondContact CD-OH 3.44Å; K592-Y665 PolarHBondContact N-O 3.36Å; K592-Y665 PolarHBondContact O-N 3.39Å
593	T	86.6	Confident	90.2	Very high	91 Å²	91	38.7 Å²	38.7	56%	0.558	21%	0.209	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-102.3	147.9	174.7	53.8	0	0	0	0	111	L663 Q664	T593-L663 CarbonylContact C-O 3.54Å; T593-L663 VanDerWaalsContact CA-O 3.28Å; T593-L663 WeakPolarHBondContact CA-O 3.02Å; T593-Q664 HydrophobicContact CG2-CG 3.96Å
594	S	87.1	Confident	90.1	Very high	41 Å²	41	45 Å²	45	29%	0.287	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	154.7	174	-170.9	0	0	0	0	109.4	L663	S594-L663 PolarHBondContact N-O 3.05Å; S594-L663 PolarHBondContact O-N 3.33Å
595	F	86.7	Confident	90	Very high	29 Å²	29	48.6 Å²	48.6	13%	0.127	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	133.8	-179.4	175.7	-98.6	0	0	0	109.9	Y534 A537 A597 Y660 C661 D662	Y534-F595 HydrophobicContact CD2-CB 4.48Å; Y534-F595 HydrophobicContact CD2-CD1 4.03Å; Y534-F595 HydrophobicContact CE2-CB 4.27Å; A537-F595 HydrophobicContact CB-CD1 4.09Å; A537-F595 HydrophobicContact CB-CD2 4.36Å; A537-F595 HydrophobicContact CB-CE1 3.49Å; A537-F595 VanDerWaalsContact CB-CE1 3.49Å; A537-F595 HydrophobicContact CB-CE2 3.8Å; A537-F595 HydrophobicContact CB-CG 4.47Å; A537-F595 HydrophobicContact CB-CZ 3.28Å; F595-A597 HydrophobicContact CE1-CB 4.37Å; F595-Y660 HydrophobicContact CE1-CD1 4.2Å; F595-Y660 HydrophobicContact CE2-CD1 4.11Å; F595-Y660 AromaticContact CZ-CD1 3.39Å; F595-Y660 HydrophobicContact CZ-CD1 3.39Å; F595-Y660 HydrophobicContact CZ-CE1 4.11Å; F595-Y660 HydrophobicContact CZ-CG 4.22Å; F595-C661 WeakPolarHBondContact CA-O 3.47Å; F595-D662 WeakPolarHBondContact CD2-OD1 3.5Å
596	C	88.5	Confident	89.8	Confident	6 Å²	6	47.7 Å²	47.7	4%	0.041	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	130	174.8	-69.2	0	0	0	0	110.7	A657 C661	C596-A657 HydrophobicContact CB-CB 3.84Å; C596-C661 HydrophobicContact CB-CB 4.35Å; C596-C661 PolarHBondContact N-O 3.43Å; C596-C661 PolarHBondContact O-N 3.48Å
597	A	87.3	Confident	89.7	Confident	5 Å²	5	49.7 Å²	49.7	4%	0.041	27%	0.266	C	S	.	.			trans	-84.4	158.3	174.6	0	0	0	0	0	111.7	F595 G599 E600 A657 Y660	F595-A597 HydrophobicContact CE1-CB 4.37Å; A597-G599 PolarHBondContact O-N 3.26Å; A597-E600 HydrophobicContact CB-CG 4.11Å; A597-E600 VanDerWaalsContact O-CB 3.29Å; A597-E600 WeakPolarHBondContact O-CB 3.36Å; A597-E600 WeakPolarHBondContact O-CG 3.38Å; A597-E600 PolarHBondContact O-N 2.81Å; A597-E600 VanDerWaalsContact O-N 3.07Å; A597-A657 WeakPolarHBondContact O-CB 3.47Å; A597-Y660 HydrophobicContact CB-CD1 4.22Å; A597-Y660 HydrophobicContact CB-CE1 4.04Å
598	P	89.3	Confident	89.5	Confident	59 Å²	59	51.4 Å²	51.4	38%	0.383	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	132.2	176.6	-24.8	31	0	0	0	112.5	E600 Y660	P598-E600 VanDerWaalsContact C-N 3.29Å; P598-E600 PolarHBondContact O-N 3.49Å; P598-Y660 HydrophobicContact CG-CD1 4.24Å; P598-Y660 HydrophobicContact CG-CD2 4.15Å; P598-Y660 HydrophobicContact CG-CE1 4.23Å; P598-Y660 HydrophobicContact CG-CE2 4.1Å; P598-Y660 HydrophobicContact CG-CG 4.23Å
599	G	87.5	Confident	89.3	Confident	42 Å²	42	52 Å²	52	43%	0.433	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.7	-8.4	-179.3	0	0	0	0	0	114.9	A597 A657	A597-G599 PolarHBondContact O-N 3.26Å; G599-A657 PolarHBondContact N-O 3Å
600	E	88.7	Confident	89.2	Confident	32 Å²	32	54.9 Å²	54.9	15%	0.15	30%	0.295	C	S	.	.			trans	-82.1	143	179	-64	-168	177.4	0	0	112.7	R530 A597 P598 K656 A657	R530-E600 WeakPolarHBondContact CD-OE1 3.37Å; R530-E600 WeakPolarHBondContact CG-OE1 3.24Å; R530-E600 IonicContact CZ-OE1 3.67Å; R530-E600 IonicContact CZ-OE2 3.59Å; R530-E600 IonicContact NE-OE1 3.01Å; R530-E600 PolarHBondContact NE-OE1 3.01Å; R530-E600 IonicContact NE-OE2 2.63Å; R530-E600 PolarHBondContact NE-OE2 3.12Å; R530-E600 VanDerWaalsContact NE-OE2 3.15Å; R530-E600 IonicContact NH2-OE1 2.8Å; R530-E600 IonicContact NH2-OE2 2.53Å; R530-E600 PolarHBondContact NH2-OE2 2.94Å; A597-E600 HydrophobicContact CB-CG 4.11Å; A597-E600 VanDerWaalsContact O-CB 3.29Å; A597-E600 WeakPolarHBondContact O-CB 3.36Å; A597-E600 WeakPolarHBondContact O-CG 3.38Å; A597-E600 PolarHBondContact O-N 2.81Å; A597-E600 VanDerWaalsContact O-N 3.07Å; P598-E600 VanDerWaalsContact C-N 3.29Å; P598-E600 PolarHBondContact O-N 3.49Å; E600-K656 CarbonylContact O-C 3.59Å; E600-K656 VanDerWaalsContact O-CA 3.29Å; E600-K656 WeakPolarHBondContact O-CA 3.39Å; E600-K656 WeakPolarHBondContact O-CG 3.18Å; E600-A657 PolarHBondContact O-N 3.36Å
601	Y	91.1	Very high	89.3	Confident	80 Å²	80	51.5 Å²	51.5	31%	0.314	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	121.3	171.7	-66.8	-97.5	0	0	0	109.1	R604 L623 D654 V655 K656	Y601-R604 HydrophobicContact CD1-CG 4.43Å; Y601-R604 HydrophobicContact CG-CG 4.41Å; Y601-L623 HydrophobicContact CE1-CD1 4.47Å; Y601-D654 HydrophobicContact CD1-CB 3.92Å; Y601-D654 HydrophobicContact CE1-CB 3.78Å; Y601-V655 CarbonylContact C-O 3.45Å; Y601-V655 WeakPolarHBondContact CA-O 3.31Å; Y601-K656 HydrophobicContact CD1-CB 4.1Å; Y601-K656 HydrophobicContact CE1-CB 4.19Å; Y601-K656 HydrophobicContact CE1-CD 4.12Å; Y601-K656 HydrophobicContact CE2-CD 4.06Å
602	L	92	Very high	89.3	Confident	29 Å²	29	51.4 Å²	51.4	15%	0.152	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	-46	168.6	176.2	64.8	0	0	0	110	Y613 L620 V655 L663	L602-Y613 HydrophobicContact CD1-CD1 4.15Å; L602-Y613 HydrophobicContact CD1-CE1 3.82Å; L602-Y613 HydrophobicContact CD2-CD1 4.13Å; L602-Y613 HydrophobicContact CD2-CD2 4.4Å; L602-Y613 HydrophobicContact CD2-CE1 4.47Å; L602-Y613 HydrophobicContact CD2-CG 4.09Å; L602-Y613 HydrophobicContact CG-CE1 4.47Å; L602-L620 HydrophobicContact CB-CD2 4.34Å; L602-L620 HydrophobicContact CD2-CD2 3.99Å; L602-V655 HydrophobicContact CB-CB 4.39Å; L602-V655 HydrophobicContact CB-CG1 4.28Å; L602-V655 HydrophobicContact CD2-CG1 4.19Å; L602-V655 PolarHBondContact N-O 2.98Å; L602-L663 HydrophobicContact CD1-CD1 3.59Å; L602-L663 HydrophobicContact CD2-CD1 3.59Å; L602-L663 HydrophobicContact CG-CD1 4.16Å
603	I	92.3	Very high	89.6	Confident	10 Å²	10	47.8 Å²	47.8	5%	0.051	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	140.3	-178.9	-68	160.2	0	0	0	107.7	D607 L609 Y613 T651 D654 V655 L697	I603-D607 HydrophobicContact CG2-CB 4.39Å; I603-L609 HydrophobicContact CD1-CD1 3.82Å; I603-Y613 HydrophobicContact CD1-CD2 4.07Å; I603-Y613 HydrophobicContact CD1-CE2 3.73Å; I603-Y613 HydrophobicContact CG1-CE2 4.39Å; I603-T651 HydrophobicContact CG2-CG2 3.39Å; I603-D654 WeakPolarHBondContact O-CA 3.4Å; I603-V655 HydrophobicContact CB-CB 4.33Å; I603-V655 HydrophobicContact CB-CG2 4.36Å; I603-V655 PolarHBondContact N-O 3.41Å; I603-V655 PolarHBondContact O-N 3.43Å; I603-L697 HydrophobicContact CD1-CD1 3.55Å
604	R	92.3	Very high	89.9	Confident	134 Å²	134	44 Å²	44	51%	0.506	24%	0.239	S	C	.	.			trans	-103.1	156.9	169.6	-64.8	-175.3	178.9	-102.8	0.4	111.6	Y601 G606 D607 T651 D654	Y601-R604 HydrophobicContact CD1-CG 4.43Å; Y601-R604 HydrophobicContact CG-CG 4.41Å; R604-G606 PolarHBondContact O-N 3.42Å; R604-D607 WeakPolarHBondContact CB-OD2 3.4Å; R604-D607 PolarHBondContact N-OD2 3.28Å; R604-D607 VanDerWaalsContact O-CB 3.28Å; R604-D607 WeakPolarHBondContact O-CB 3.17Å; R604-D607 PolarHBondContact O-N 3.41Å; R604-T651 PolarHBondContact O-OG1 3.31Å; R604-D654 WeakPolarHBondContact CA-OD1 3.4Å
605	H	90.8	Very high	90.3	Very high	106 Å²	106	42.1 Å²	42.1	49%	0.491	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	127.1	171.7	172.6	-75.3	0	0	0	110.4	N652 D654	H605-N652 VanDerWaalsContact CD2-C 3.48Å; H605-N652 PolarHBondContact CD2-O 3.13Å; H605-D654 PolarHBondContact N-OD1 3.42Å
606	G	87.6	Confident	90.5	Very high	40 Å²	40	42 Å²	42	41%	0.412	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	89	-5.2	-179	0	0	0	0	0	114.9	R604 T651	R604-G606 PolarHBondContact O-N 3.42Å; G606-T651 PolarHBondContact N-O 3.5Å; G606-T651 PolarHBondContact N-OG1 3.33Å; G606-T651 VanDerWaalsContact N-OG1 3.16Å
607	D	90.1	Very high	90.6	Very high	76 Å²	76	44.4 Å²	44.4	41%	0.406	24%	0.244	S	C	.	.			trans	-65.7	152.9	172.6	-73.9	-14.9	0	0	0	111.1	I603 R604 L609 K650 T651	I603-D607 HydrophobicContact CG2-CB 4.39Å; R604-D607 WeakPolarHBondContact CB-OD2 3.4Å; R604-D607 PolarHBondContact N-OD2 3.28Å; R604-D607 VanDerWaalsContact O-CB 3.28Å; R604-D607 WeakPolarHBondContact O-CB 3.17Å; R604-D607 PolarHBondContact O-N 3.41Å; D607-L609 PolarHBondContact O-N 3.17Å; D607-K650 WeakPolarHBondContact O-CA 3.39Å; D607-T651 PolarHBondContact N-OG1 3.13Å; D607-T651 PolarHBondContact O-N 2.89Å; D607-T651 PolarHBondContact O-OG1 2.85Å; D607-T651 VanDerWaalsContact O-OG1 3.13Å
608	A	89.4	Confident	90.9	Very high	35 Å²	35	45.2 Å²	45.2	29%	0.289	25%	0.253	S	S	.	.	B	Isolated β-bridge	trans	-76.2	118.7	171.1	0	0	0	0	0	109.7	H610 V648 I649	A608-H610 PolarHBondContact O-CD2 3.39Å; A608-H610 VanDerWaalsContact O-CD2 3.25Å; A608-H610 PolarHBondContact O-N 2.9Å; A608-V648 HydrophobicContact CB-CG1 3.55Å; A608-I649 CarbonylContact C-O 3.59Å; A608-I649 WeakPolarHBondContact CA-O 3.31Å
609	L	88.4	Confident	91.2	Very high	13 Å²	13	43.8 Å²	43.8	7%	0.068	25%	0.245	C	C	.	.			trans	-69.5	116	175.4	-170.5	68.8	0	0	0	109.6	I603 D607 A611 A640 I649 T651 L697	I603-L609 HydrophobicContact CD1-CD1 3.82Å; D607-L609 PolarHBondContact O-N 3.17Å; L609-A611 WeakPolarHBondContact CD1-O 3.32Å; L609-A640 HydrophobicContact CD2-CB 3.45Å; L609-A640 VanDerWaalsContact CD2-CB 3.45Å; L609-I649 HydrophobicContact CB-CB 4.2Å; L609-I649 HydrophobicContact CB-CG2 4.24Å; L609-I649 HydrophobicContact CD2-CG2 4.42Å; L609-I649 PolarHBondContact N-O 2.88Å; L609-T651 HydrophobicContact CB-CG2 4.03Å; L609-T651 HydrophobicContact CD1-CG2 4.17Å; L609-L697 HydrophobicContact CD1-CD1 3.67Å
610	H	87.2	Confident	91.6	Very high	129 Å²	129	41.8 Å²	41.8	60%	0.597	22%	0.224	S	C	*	.			trans	-105.6	-15.7	-177.2	-67.9	-47.1	0	0	0	113.9	A608 S667 V668	A608-H610 PolarHBondContact O-CD2 3.39Å; A608-H610 VanDerWaalsContact O-CD2 3.25Å; A608-H610 PolarHBondContact O-N 2.9Å; H610-S667 CarbonylContact O-C 3.55Å; H610-S667 VanDerWaalsContact O-CA 3.3Å; H610-S667 WeakPolarHBondContact O-CA 3.4Å; H610-V668 PolarHBondContact O-N 3.3Å
611	A	92.1	Very high	91.9	Very high	3 Å²	3	41.5 Å²	41.5	3%	0.025	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	153.6	-174.8	0	0	0	0	0	111.6	L609 Y613 Y665 I666	L609-A611 WeakPolarHBondContact CD1-O 3.32Å; A611-Y613 HydrophobicContact CB-CE2 4Å; A611-Y613 WeakPolarHBondContact O-CD2 3.27Å; A611-Y613 VanDerWaalsContact O-CE2 3.22Å; A611-Y613 WeakPolarHBondContact O-CE2 3.26Å; A611-Y665 HydrophobicContact CB-CD2 3.61Å; A611-Y665 HydrophobicContact CB-CE2 4.49Å; A611-Y665 HydrophobicContact CB-CG 4.23Å; A611-I666 CarbonylContact C-O 3.58Å; A611-I666 WeakPolarHBondContact CA-O 3.44Å; A611-I666 VanDerWaalsContact CB-O 3.3Å; A611-I666 WeakPolarHBondContact CB-O 3.39Å
612	D	92	Very high	92.1	Very high	10 Å²	10	37.7 Å²	37.7	5%	0.053	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	136.4	164.9	-56.5	-43.4	0	0	0	108.3	I638 G639 A640 Y665 I666 L671	D612-I638 CarbonylContact C-O 3.55Å; D612-I638 WeakPolarHBondContact CA-O 3.36Å; D612-G639 VanDerWaalsContact OD1-CA 3.24Å; D612-G639 WeakPolarHBondContact OD1-CA 3.45Å; D612-A640 PolarHBondContact OD1-N 2.94Å; D612-Y665 CarbonylContact O-C 3.47Å; D612-Y665 WeakPolarHBondContact O-CA 3.43Å; D612-Y665 VanDerWaalsContact O-CB 3.31Å; D612-Y665 WeakPolarHBondContact O-CB 3.25Å; D612-I666 PolarHBondContact N-O 2.65Å; D612-I666 PolarHBondContact O-N 2.7Å; D612-L671 WeakPolarHBondContact OD2-CD2 3.4Å
613	Y	93.8	Very high	92.2	Very high	34 Å²	34	37.1 Å²	37.1	13%	0.133	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	135.9	-173.1	-63.1	-93.2	0	0	0	110.9	L602 I603 A611 I638 L663 Q664 Y665	L602-Y613 HydrophobicContact CD1-CD1 4.15Å; L602-Y613 HydrophobicContact CD1-CE1 3.82Å; L602-Y613 HydrophobicContact CD2-CD1 4.13Å; L602-Y613 HydrophobicContact CD2-CD2 4.4Å; L602-Y613 HydrophobicContact CD2-CE1 4.47Å; L602-Y613 HydrophobicContact CD2-CG 4.09Å; L602-Y613 HydrophobicContact CG-CE1 4.47Å; I603-Y613 HydrophobicContact CD1-CD2 4.07Å; I603-Y613 HydrophobicContact CD1-CE2 3.73Å; I603-Y613 HydrophobicContact CG1-CE2 4.39Å; A611-Y613 HydrophobicContact CB-CE2 4Å; A611-Y613 WeakPolarHBondContact O-CD2 3.27Å; A611-Y613 VanDerWaalsContact O-CE2 3.22Å; A611-Y613 WeakPolarHBondContact O-CE2 3.26Å; Y613-I638 PolarHBondContact N-O 3.45Å; Y613-I638 PolarHBondContact O-N 3.4Å; Y613-L663 HydrophobicContact CD1-CD1 4.43Å; Y613-Q664 CarbonylContact C-O 3.59Å; Y613-Q664 WeakPolarHBondContact CA-O 3.38Å; Y613-Y665 HydrophobicContact CD1-CG 4.27Å; Y613-Y665 HydrophobicContact CE1-CD1 4.23Å; Y613-Y665 HydrophobicContact CE1-CG 4Å
614	F	94.6	Very high	92.1	Very high	12 Å²	12	39.5 Å²	39.5	5%	0.053	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	128.7	173.5	173.9	-111.5	0	0	0	109.5	D569 I570 L573 C616 G635 L637 L663 Q664	D569-F614 HydrophobicContact CB-CE1 4.01Å; D569-F614 HydrophobicContact CB-CZ 4.44Å; I570-F614 HydrophobicContact CB-CB 4.38Å; I570-F614 HydrophobicContact CB-CD1 3.79Å; I570-F614 HydrophobicContact CB-CE1 4.26Å; I570-F614 HydrophobicContact CB-CG 4.08Å; I570-F614 HydrophobicContact CD1-CB 3.77Å; I570-F614 HydrophobicContact CD1-CG 4.39Å; I570-F614 HydrophobicContact CG1-CB 3.98Å; I570-F614 HydrophobicContact CG1-CD1 4.31Å; I570-F614 HydrophobicContact CG1-CG 4.09Å; L573-F614 HydrophobicContact CD1-CD2 3.78Å; L573-F614 HydrophobicContact CD1-CE2 4.03Å; L573-F614 HydrophobicContact CD2-CD2 4.44Å; L573-F614 HydrophobicContact CD2-CE2 3.92Å; L573-F614 HydrophobicContact CG-CD2 4.48Å; L573-F614 HydrophobicContact CG-CE2 4.24Å; F614-C616 PolarHBondContact O-N 3.48Å; F614-G635 WeakPolarHBondContact CE2-O 3.48Å; F614-L637 HydrophobicContact CB-CD1 4.27Å; F614-L663 WeakPolarHBondContact O-CA 3.27Å; F614-Q664 HydrophobicContact CB-CB 4.39Å; F614-Q664 HydrophobicContact CD1-CB 4.36Å; F614-Q664 PolarHBondContact N-O 3.25Å; F614-Q664 PolarHBondContact O-N 3.06Å
615	V	94.6	Very high	91.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	105.8	-178.3	-173.2	0	0	0	0	110.2	L620 G633 G635 D636 I638 L663	V615-L620 HydrophobicContact CB-CD1 4.41Å; V615-L620 HydrophobicContact CG1-CD1 3.86Å; V615-L620 HydrophobicContact CG2-CD1 3.59Å; V615-G633 VanDerWaalsContact CB-O 3.25Å; V615-G633 WeakPolarHBondContact CB-O 3.4Å; V615-G633 WeakPolarHBondContact CG1-O 3.39Å; V615-G635 PolarHBondContact O-N 3.5Å; V615-D636 HydrophobicContact CG2-CB 4.43Å; V615-D636 PolarHBondContact N-O 3.4Å; V615-I638 HydrophobicContact CG2-CD1 3.77Å; V615-I638 HydrophobicContact CG2-CG1 4.42Å; V615-L663 HydrophobicContact CB-CD2 4.15Å; V615-L663 HydrophobicContact CG1-CD2 4.22Å; V615-L663 HydrophobicContact CG2-CD2 3.82Å
616	C	90.9	Very high	91.6	Very high	26 Å²	26	38.4 Å²	38.4	18%	0.176	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	-37.9	179.3	-56.8	0	0	0	0	112.1	F614 K634 D662 Q664	F614-C616 PolarHBondContact O-N 3.48Å; C616-K634 WeakPolarHBondContact O-CD 3.39Å; C616-K634 WeakPolarHBondContact O-CE 3.49Å; C616-K634 VanDerWaalsContact O-CG 3.31Å; C616-K634 WeakPolarHBondContact O-CG 3.33Å; C616-D662 HydrophobicContact CB-CB 4.34Å; C616-D662 WeakPolarHBondContact CB-O 3.45Å; C616-D662 PolarHBondContact N-O 3.19Å; C616-Q664 VanDerWaalsContact SG-CG 3.57Å
617	S	91.1	Very high	91.7	Very high	57 Å²	57	42.5 Å²	42.5	40%	0.399	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	154.3	-179.1	-173.8	0	0	0	0	110.2	C661 D662	S617-C661 VanDerWaalsContact O-CA 3.3Å; S617-C661 WeakPolarHBondContact O-CA 3.44Å; S617-D662 PolarHBondContact N-O 3.32Å; S617-D662 PolarHBondContact O-N 3.08Å
618	G	92.3	Very high	91.9	Very high	22 Å²	22	42.7 Å²	42.7	23%	0.227	25%	0.253	C	S	.	.	S	Bend	trans	91	-166	-178.7	0	0	0	0	0	113.4	T659	G618-T659 VanDerWaalsContact CA-OG1 3.27Å; G618-T659 WeakPolarHBondContact CA-OG1 3.28Å
619	S	95.6	Very high	92	Very high	29 Å²	29	44.9 Å²	44.9	20%	0.203	26%	0.257	C	S	.	.			trans	-146.5	136.9	-176.9	51.5	0	0	0	0	111.5	L632 L658 T659 C661	S619-L632 CarbonylContact C-O 3.53Å; S619-L632 VanDerWaalsContact CA-O 3.23Å; S619-L632 WeakPolarHBondContact CA-O 3.33Å; S619-L658 WeakPolarHBondContact O-CB 3.26Å; S619-L658 PolarHBondContact O-N 3.26Å; S619-T659 PolarHBondContact N-OG1 2.94Å; S619-T659 PolarHBondContact O-N 2.88Å; S619-T659 PolarHBondContact OG-OG1 2.86Å; S619-T659 VanDerWaalsContact OG-OG1 3.06Å; S619-C661 PolarHBondContact N-SG 3.03Å; S619-C661 PolarHBondContact O-SG 2.92Å
620	L	96.4	Very high	92.2	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	148.5	176.6	-56.3	98.1	0	0	0	110.1	L602 V615 I631 L632 V655 K656 C661 L663	L602-L620 HydrophobicContact CB-CD2 4.34Å; L602-L620 HydrophobicContact CD2-CD2 3.99Å; V615-L620 HydrophobicContact CB-CD1 4.41Å; V615-L620 HydrophobicContact CG1-CD1 3.86Å; V615-L620 HydrophobicContact CG2-CD1 3.59Å; L620-I631 CarbonylContact O-C 3.54Å; L620-I631 WeakPolarHBondContact O-CA 3.42Å; L620-L632 HydrophobicContact CB-CB 4.34Å; L620-L632 PolarHBondContact N-O 3.25Å; L620-L632 PolarHBondContact O-N 3.02Å; L620-V655 HydrophobicContact CB-CG1 4.14Å; L620-V655 HydrophobicContact CD2-CG1 3.74Å; L620-K656 CarbonylContact C-O 3.19Å; L620-K656 VanDerWaalsContact CA-O 3.24Å; L620-K656 WeakPolarHBondContact CA-O 3.33Å; L620-C661 HydrophobicContact CD1-CB 4.34Å; L620-L663 HydrophobicContact CD1-CD2 4.02Å; L620-L663 HydrophobicContact CD2-CD1 4.49Å
621	E	95.8	Very high	92.5	Very high	26 Å²	26	44.8 Å²	44.8	12%	0.121	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	137.2	168.5	62.4	-178.2	173.9	0	0	109.4	L623 K656 L658	E621-L623 HydrophobicContact CG-CD1 4.21Å; E621-L623 HydrophobicContact CG-CG 4.2Å; E621-K656 HydrophobicContact CG-CB 3.96Å; E621-K656 HydrophobicContact CG-CG 4.48Å; E621-K656 PolarHBondContact N-O 3.36Å; E621-K656 PolarHBondContact O-N 2.93Å; E621-K656 WeakPolarHBondContact OE1-CD 3.34Å; E621-K656 WeakPolarHBondContact OE1-CE 3.45Å; E621-K656 IonicContact OE1-NZ 2.65Å; E621-K656 PolarHBondContact OE1-NZ 3.19Å; E621-L658 HydrophobicContact CB-CD1 4.23Å; E621-L658 HydrophobicContact CB-CD2 4.14Å; E621-L658 HydrophobicContact CB-CG 4.11Å; E621-L658 VanDerWaalsContact CD-CD2 3.48Å; E621-L658 HydrophobicContact CG-CD2 3.86Å; E621-L658 HydrophobicContact CG-CG 4.16Å
622	V	95.1	Very high	92.7	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	122.8	171.1	-174.1	0	0	0	0	108.3	V628 Q629 A630 L632 A653 D654 V655 Y695	V622-V628 CarbonylContact O-C 3.49Å; V622-V628 WeakPolarHBondContact O-CA 3.42Å; V622-Q629 PolarHBondContact O-N 2.89Å; V622-A630 HydrophobicContact CB-CB 4.21Å; V622-A630 HydrophobicContact CG2-CB 4.18Å; V622-A630 PolarHBondContact N-O 3.4Å; V622-L632 HydrophobicContact CG2-CD1 3.33Å; V622-L632 HydrophobicContact CG2-CG 4.07Å; V622-A653 HydrophobicContact CG1-CB 3.43Å; V622-A653 VanDerWaalsContact CG1-CB 3.43Å; V622-D654 CarbonylContact C-O 3.54Å; V622-D654 WeakPolarHBondContact CA-O 3.43Å; V622-V655 HydrophobicContact CG2-CG2 4.37Å; V622-Y695 HydrophobicContact CG1-CD1 4.13Å; V622-Y695 HydrophobicContact CG1-CE1 3.64Å; V622-Y695 HydrophobicContact CG1-CE2 4.09Å; V622-Y695 HydrophobicContact CG2-CD1 4.46Å; V622-Y695 HydrophobicContact CG2-CG 4.35Å
623	L	93.6	Very high	92.8	Very high	18 Å²	18	45.3 Å²	45.3	9%	0.094	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	131.5	-175	-63.2	160.4	0	0	0	109.7	Y601 E621 M627 V628 D654 K656	Y601-L623 HydrophobicContact CE1-CD1 4.47Å; E621-L623 HydrophobicContact CG-CD1 4.21Å; E621-L623 HydrophobicContact CG-CG 4.2Å; L623-M627 CarbonylContact C-O 3.57Å; L623-M627 WeakPolarHBondContact CA-O 3.37Å; L623-V628 HydrophobicContact CD2-CB 4.44Å; L623-V628 HydrophobicContact CD2-CG2 3.65Å; L623-D654 HydrophobicContact CB-CB 4.07Å; L623-D654 PolarHBondContact N-O 2.95Å; L623-D654 PolarHBondContact O-N 3.5Å; L623-K656 HydrophobicContact CD1-CB 4.23Å; L623-K656 HydrophobicContact CD1-CD 4.09Å
624	K	90.9	Very high	92.8	Very high	60 Å²	60	51.6 Å²	51.6	26%	0.261	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	122.6	169.7	-172.4	172.4	-177.7	170.6	0	108.8	G626 M627 Q629 N652	K624-G626 PolarHBondContact O-N 3.35Å; K624-G626 VanDerWaalsContact O-N 3.14Å; K624-M627 PolarHBondContact N-O 3.11Å; K624-M627 PolarHBondContact O-N 3.05Å; K624-Q629 HydrophobicContact CB-CG 3.67Å; K624-N652 PolarHBondContact NZ-ND2 2.75Å; K624-N652 VanDerWaalsContact NZ-ND2 3.12Å; K624-N652 PolarHBondContact NZ-OD1 3.47Å
625	D	87.1	Confident	92.6	Very high	146 Å²	146	52.6 Å²	52.6	78%	0.781	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	35.5	-175.4	-55.8	-47.5	0	0	0	113.4	M627	D625-M627 VanDerWaalsContact C-N 3.28Å; D625-M627 PolarHBondContact O-N 3.34Å
626	G	84.4	Confident	92.5	Very high	70 Å²	70	54.4 Å²	54.4	72%	0.722	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.4	0	-178.3	0	0	0	0	0	115.5	K624	K624-G626 PolarHBondContact O-N 3.35Å; K624-G626 VanDerWaalsContact O-N 3.14Å
627	M	90.8	Very high	92.6	Very high	126 Å²	126	53.7 Å²	53.7	62%	0.621	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.4	135.9	174.4	-63.6	-163.1	-67.6	0	0	111.6	L623 K624 D625 Q629	L623-M627 CarbonylContact C-O 3.57Å; L623-M627 WeakPolarHBondContact CA-O 3.37Å; K624-M627 PolarHBondContact N-O 3.11Å; K624-M627 PolarHBondContact O-N 3.05Å; D625-M627 VanDerWaalsContact C-N 3.28Å; D625-M627 PolarHBondContact O-N 3.34Å; M627-Q629 PolarHBondContact O-N 2.97Å
628	V	93.1	Very high	92.7	Very high	80 Å²	80	51 Å²	51	49%	0.485	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	116.1	175	-178.2	0	0	0	0	109.2	V622 L623 I631	V622-V628 CarbonylContact O-C 3.49Å; V622-V628 WeakPolarHBondContact O-CA 3.42Å; L623-V628 HydrophobicContact CD2-CB 4.44Å; L623-V628 HydrophobicContact CD2-CG2 3.65Å; V628-I631 HydrophobicContact CG1-CG1 4.18Å
629	Q	91.9	Very high	92.6	Very high	81 Å²	81	49.9 Å²	49.9	38%	0.379	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	-39.2	178.2	-66.5	-67.9	-29.6	0	0	111.8	V622 K624 M627 Y695	V622-Q629 PolarHBondContact O-N 2.89Å; K624-Q629 HydrophobicContact CB-CG 3.67Å; M627-Q629 PolarHBondContact O-N 2.97Å; Q629-Y695 HydrophobicContact CB-CE2 4.19Å
630	A	92.3	Very high	92.2	Very high	24 Å²	24	48.6 Å²	48.6	20%	0.198	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	153.5	-178.6	0	0	0	0	0	111.3	V622 Y695	V622-A630 HydrophobicContact CB-CB 4.21Å; V622-A630 HydrophobicContact CG2-CB 4.18Å; V622-A630 PolarHBondContact N-O 3.4Å; A630-Y695 HydrophobicContact CB-CD2 3.78Å; A630-Y695 HydrophobicContact CB-CE2 4.14Å
631	I	94.8	Very high	91.7	Very high	117 Å²	117	49.6 Å²	49.6	60%	0.6	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.7	124.2	167.3	-60.5	175.3	0	0	0	106.8	L620 V628 L658	L620-I631 CarbonylContact O-C 3.54Å; L620-I631 WeakPolarHBondContact O-CA 3.42Å; V628-I631 HydrophobicContact CG1-CG1 4.18Å; I631-L658 HydrophobicContact CG2-CD1 4.33Å
632	L	95.4	Very high	91	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	123.5	-175.7	-60.5	161.6	0	0	0	108.3	S619 L620 V622 D636 I638 T694	S619-L632 CarbonylContact C-O 3.53Å; S619-L632 VanDerWaalsContact CA-O 3.23Å; S619-L632 WeakPolarHBondContact CA-O 3.33Å; L620-L632 HydrophobicContact CB-CB 4.34Å; L620-L632 PolarHBondContact N-O 3.25Å; L620-L632 PolarHBondContact O-N 3.02Å; V622-L632 HydrophobicContact CG2-CD1 3.33Å; V622-L632 HydrophobicContact CG2-CG 4.07Å; L632-D636 VanDerWaalsContact CA-OD2 3.29Å; L632-D636 WeakPolarHBondContact CA-OD2 3.47Å; L632-D636 HydrophobicContact CB-CB 4.32Å; L632-D636 HydrophobicContact CD2-CB 4.08Å; L632-I638 HydrophobicContact CD1-CD1 3.54Å; L632-I638 HydrophobicContact CD1-CG1 3.7Å; L632-I638 HydrophobicContact CD1-CG2 4.43Å; L632-I638 HydrophobicContact CD2-CG1 4.45Å; L632-T694 HydrophobicContact CD2-CG2 3.68Å
633	G	94.7	Very high	89.8	Confident	23 Å²	23	50.5 Å²	50.5	24%	0.237	29%	0.29	C	S	.	.			trans	-112	-169.2	179.4	0	0	0	0	0	112.4	V615 G635 D636	V615-G633 VanDerWaalsContact CB-O 3.25Å; V615-G633 WeakPolarHBondContact CB-O 3.4Å; V615-G633 WeakPolarHBondContact CG1-O 3.39Å; G633-G635 PolarHBondContact O-N 3.32Å; G633-D636 PolarHBondContact N-OD2 3.39Å; G633-D636 WeakPolarHBondContact O-CB 3.24Å; G633-D636 PolarHBondContact O-N 3.45Å
634	K	93.1	Very high	88.6	Confident	165 Å²	165	58.7 Å²	58.7	72%	0.717	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	129.1	176.7	175	173.3	-176.8	-179	0	111.3	C616	C616-K634 WeakPolarHBondContact O-CD 3.39Å; C616-K634 WeakPolarHBondContact O-CE 3.49Å; C616-K634 VanDerWaalsContact O-CG 3.31Å; C616-K634 WeakPolarHBondContact O-CG 3.33Å
635	G	90.9	Very high	87.6	Confident	33 Å²	33	62.2 Å²	62.2	34%	0.34	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	98.1	-7.8	178.6	0	0	0	0	0	114	F614 V615 G633	F614-G635 WeakPolarHBondContact CE2-O 3.48Å; V615-G635 PolarHBondContact O-N 3.5Å; G633-G635 PolarHBondContact O-N 3.32Å
636	D	92.9	Very high	86.8	Confident	39 Å²	39	61.5 Å²	61.5	21%	0.209	34%	0.341	C	S	.	.			trans	-79.7	142.4	-178.6	-69.6	-31.8	0	0	0	112.4	V615 L632 G633 T694	V615-D636 HydrophobicContact CG2-CB 4.43Å; V615-D636 PolarHBondContact N-O 3.4Å; L632-D636 VanDerWaalsContact CA-OD2 3.29Å; L632-D636 WeakPolarHBondContact CA-OD2 3.47Å; L632-D636 HydrophobicContact CB-CB 4.32Å; L632-D636 HydrophobicContact CD2-CB 4.08Å; G633-D636 PolarHBondContact N-OD2 3.39Å; G633-D636 WeakPolarHBondContact O-CB 3.24Å; G633-D636 PolarHBondContact O-N 3.45Å; D636-T694 WeakPolarHBondContact CA-OG1 3.37Å; D636-T694 HydrophobicContact CB-CG2 4.1Å; D636-T694 WeakPolarHBondContact CB-OG1 3.45Å; D636-T694 WeakPolarHBondContact OD1-CG2 3.17Å; D636-T694 PolarHBondContact OD1-OG1 3.23Å
637	L	92.4	Very high	86.5	Confident	10 Å²	10	64 Å²	64	5%	0.052	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	126.9	177	-173.9	71.2	0	0	0	109.6	L573 F614 L693 T694	L573-L637 HydrophobicContact CD1-CD1 4.11Å; L573-L637 HydrophobicContact CD1-CD2 4.4Å; F614-L637 HydrophobicContact CB-CD1 4.27Å; L637-L693 HydrophobicContact CD2-CD2 4.01Å; L637-L693 HydrophobicContact CG-CD2 3.97Å; L637-T694 PolarHBondContact N-OG1 2.95Å; L637-T694 PolarHBondContact O-N 3.25Å
638	I	92.4	Very high	86	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	129.5	-174.3	-43	164.1	0	0	0	107.7	D612 Y613 V615 L632 L697	D612-I638 CarbonylContact C-O 3.55Å; D612-I638 WeakPolarHBondContact CA-O 3.36Å; Y613-I638 PolarHBondContact N-O 3.45Å; Y613-I638 PolarHBondContact O-N 3.4Å; V615-I638 HydrophobicContact CG2-CD1 3.77Å; V615-I638 HydrophobicContact CG2-CG1 4.42Å; L632-I638 HydrophobicContact CD1-CD1 3.54Å; L632-I638 HydrophobicContact CD1-CG1 3.7Å; L632-I638 HydrophobicContact CD1-CG2 4.43Å; L632-I638 HydrophobicContact CD2-CG1 4.45Å; I638-L697 HydrophobicContact CG2-CD1 3.72Å; I638-L697 HydrophobicContact CG2-CD2 4.34Å; I638-L697 HydrophobicContact CG2-CG 3.94Å
639	G	90.1	Very high	85.5	Confident	0 Å²	0	60 Å²	60	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.4	-154.1	-175.6	0	0	0	0	0	111.7	D612 L697	D612-G639 VanDerWaalsContact OD1-CA 3.24Å; D612-G639 WeakPolarHBondContact OD1-CA 3.45Å; G639-L697 PolarHBondContact O-N 2.76Å
640	A	88.1	Confident	85.3	Confident	2 Å²	2	63.2 Å²	63.2	2%	0.017	33%	0.329	C	S	.	.			trans	-146.1	162.1	170.8	0	0	0	0	0	110.6	L609 D612 I649 R698	L609-A640 HydrophobicContact CD2-CB 3.45Å; L609-A640 VanDerWaalsContact CD2-CB 3.45Å; D612-A640 PolarHBondContact OD1-N 2.94Å; A640-I649 HydrophobicContact CB-CD1 4.06Å; A640-I649 HydrophobicContact CB-CG2 3.87Å; A640-R698 HydrophobicContact CB-CB 3.97Å
641	D	84.9	Confident	85.2	Confident	21 Å²	21	62.3 Å²	62.3	11%	0.112	32%	0.321	C	S	.	.			trans	-61.2	142.5	172.4	-56.3	-51.1	0	0	0	111	P643 I649 H690 N696	D641-P643 WeakPolarHBondContact O-CD 3.31Å; D641-I649 WeakPolarHBondContact O-CD1 3.29Å; D641-H690 VanDerWaalsContact CG-ND1 3.29Å; D641-H690 WeakPolarHBondContact OD1-CA 3.47Å; D641-H690 VanDerWaalsContact OD1-CB 3.24Å; D641-H690 WeakPolarHBondContact OD1-CB 3.48Å; D641-H690 IonicContact OD1-CG 2.71Å; D641-H690 PolarHBondContact OD1-N 3.33Å; D641-H690 IonicContact OD1-ND1 3.46Å; D641-H690 PolarHBondContact OD1-ND1 3.41Å; D641-H690 IonicContact OD2-CE1 3.56Å; D641-H690 IonicContact OD2-CG 3.7Å; D641-H690 IonicContact OD2-ND1 3.55Å; D641-H690 PolarHBondContact OD2-ND1 3.31Å; D641-N696 PolarHBondContact OD2-ND2 3Å
642	L	81.1	Confident	84.9	Confident	22 Å²	22	58.5 Å²	58.5	12%	0.115	30%	0.302	C	S	.	.			trans	-79.1	110.3	175	-76.8	115.1	0	0	0	110.2	V668 L671 L675 F685 I689	L642-V668 HydrophobicContact CD2-CG1 3.99Å; L642-L671 HydrophobicContact CD1-CD2 3.88Å; L642-L671 HydrophobicContact CD2-CD2 4.47Å; L642-L675 HydrophobicContact CD1-CD1 4.46Å; L642-F685 HydrophobicContact CD1-CD1 3.98Å; L642-F685 HydrophobicContact CD1-CE1 3.48Å; L642-F685 VanDerWaalsContact CD1-CE1 3.48Å; L642-I689 HydrophobicContact CD1-CD1 4.33Å
643	P	70.9	Confident	84.7	Confident	22 Å²	22	58.5 Å²	58.5	14%	0.143	30%	0.301	C	S	.	.			trans	-65.5	145.8	172.6	27.6	-33.2	0	0	0	110.4	D641 H645 I649	D641-P643 WeakPolarHBondContact O-CD 3.31Å; P643-H645 WeakPolarHBondContact CG-O 3.33Å; P643-H645 PolarHBondContact O-N 3.02Å; P643-I649 HydrophobicContact CG-CD1 4.33Å; P643-I649 HydrophobicContact CG-CG1 4.28Å
644	E	68.3	Low	84.6	Confident	191 Å²	191	59.2 Å²	59.2	89%	0.893	30%	0.3	S	S	*	.	S	Bend	trans	-59	-30.4	176.1	-68.3	-175.4	158.3	0	0	112.5
645	H	70.4	Confident	84.7	Confident	133 Å²	133	51.3 Å²	51.3	62%	0.616	27%	0.266	S	S	*	.	S	Bend	trans	-103.7	150	178.4	-67.7	77.7	0	0	0	111.3	P643 Q647	P643-H645 WeakPolarHBondContact CG-O 3.33Å; P643-H645 PolarHBondContact O-N 3.02Å; H645-Q647 VanDerWaalsContact C-N 3.25Å; H645-Q647 HydrophobicContact CB-CG 4.46Å; H645-Q647 PolarHBondContact O-N 3.18Å
646	D	69.9	Low	84.9	Confident	132 Å²	132	52.1 Å²	52.1	71%	0.706	26%	0.26	S	S	*	.			trans	-73	79.4	-179.7	-151.5	-4.3	0	0	0	110.8	R672	D646-R672 IonicContact OD1-CZ 3.95Å; D646-R672 IonicContact OD1-NH1 3.54Å; D646-R672 PolarHBondContact OD1-NH1 3.15Å; D646-R672 IonicContact OD1-NH2 2.65Å; D646-R672 IonicContact OD2-NH1 3.03Å
647	Q	77.4	Confident	85	Confident	121 Å²	121	50.2 Å²	50.2	57%	0.565	25%	0.25	S	C	*	.			trans	-109.6	142.3	176.7	-68.1	-175.6	5.6	0	0	110	H645 I649	H645-Q647 VanDerWaalsContact C-N 3.25Å; H645-Q647 HydrophobicContact CB-CG 4.46Å; H645-Q647 PolarHBondContact O-N 3.18Å; Q647-I649 PolarHBondContact O-N 3.18Å
648	V	80.7	Confident	85.1	Confident	109 Å²	109	53.1 Å²	53.1	66%	0.661	27%	0.265	S	S	*	.			trans	-71	114.2	172.4	-179.5	0	0	0	0	108.2	A608 K650	A608-V648 HydrophobicContact CB-CG1 3.55Å; V648-K650 PolarHBondContact O-N 2.96Å
649	I	83.6	Confident	85.1	Confident	13 Å²	13	56 Å²	56	7%	0.067	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-77.3	120.6	174.2	-55.6	171	0	0	0	107.4	A608 L609 A640 D641 P643 Q647 R698	A608-I649 CarbonylContact C-O 3.59Å; A608-I649 WeakPolarHBondContact CA-O 3.31Å; L609-I649 HydrophobicContact CB-CB 4.2Å; L609-I649 HydrophobicContact CB-CG2 4.24Å; L609-I649 HydrophobicContact CD2-CG2 4.42Å; L609-I649 PolarHBondContact N-O 2.88Å; A640-I649 HydrophobicContact CB-CD1 4.06Å; A640-I649 HydrophobicContact CB-CG2 3.87Å; D641-I649 WeakPolarHBondContact O-CD1 3.29Å; P643-I649 HydrophobicContact CG-CD1 4.33Å; P643-I649 HydrophobicContact CG-CG1 4.28Å; Q647-I649 PolarHBondContact O-N 3.18Å; I649-R698 HydrophobicContact CG2-CB 3.96Å; I649-R698 HydrophobicContact CG2-CG 4.15Å
650	K	87.7	Confident	85	Confident	150 Å²	150	62.1 Å²	62.1	65%	0.652	31%	0.306	S	S	*	.	B	Isolated β-bridge	trans	-93	140.5	172.6	-65.8	-174.9	-178.6	-178.4	0	109.9	D607 V648	D607-K650 WeakPolarHBondContact O-CA 3.39Å; V648-K650 PolarHBondContact O-N 2.96Å
651	T	89.8	Confident	85.1	Confident	5 Å²	5	62 Å²	62	3%	0.031	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-80.9	138.4	-179.7	53.6	0	0	0	0	111.1	I603 R604 G606 D607 L609 L697	I603-T651 HydrophobicContact CG2-CG2 3.39Å; R604-T651 PolarHBondContact O-OG1 3.31Å; G606-T651 PolarHBondContact N-O 3.5Å; G606-T651 PolarHBondContact N-OG1 3.33Å; G606-T651 VanDerWaalsContact N-OG1 3.16Å; D607-T651 PolarHBondContact N-OG1 3.13Å; D607-T651 PolarHBondContact O-N 2.89Å; D607-T651 PolarHBondContact O-OG1 2.85Å; D607-T651 VanDerWaalsContact O-OG1 3.13Å; L609-T651 HydrophobicContact CB-CG2 4.03Å; L609-T651 HydrophobicContact CD1-CG2 4.17Å; T651-L697 CarbonylContact C-O 3.47Å; T651-L697 WeakPolarHBondContact CA-O 3.49Å; T651-L697 HydrophobicContact CG2-CB 4.39Å
652	N	88.5	Confident	85.3	Confident	37 Å²	37	63.9 Å²	63.9	20%	0.198	32%	0.316	C	S	.	.	S	Bend	trans	-99.8	1.7	-177.4	-166	20.5	0	0	0	113	H605 K624 L697 E699	H605-N652 VanDerWaalsContact CD2-C 3.48Å; H605-N652 PolarHBondContact CD2-O 3.13Å; K624-N652 PolarHBondContact NZ-ND2 2.75Å; K624-N652 VanDerWaalsContact NZ-ND2 3.12Å; K624-N652 PolarHBondContact NZ-OD1 3.47Å; N652-L697 WeakPolarHBondContact CB-O 3.48Å; N652-L697 PolarHBondContact N-O 3.44Å; N652-E699 PolarHBondContact ND2-O 3.09Å
653	A	90.7	Very high	85.7	Confident	0 Å²	0	63 Å²	63	0%	0	31%	0.311	C	S	.	.	S	Bend	trans	-150.7	155.9	-178.3	0	0	0	0	0	111.5	V622 Y695	V622-A653 HydrophobicContact CG1-CB 3.43Å; V622-A653 VanDerWaalsContact CG1-CB 3.43Å; A653-Y695 HydrophobicContact CB-CE1 4.21Å
654	D	93.5	Very high	86.8	Confident	38 Å²	38	62.6 Å²	62.6	20%	0.203	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	133.3	166.9	-74.9	-24.8	0	0	0	109.1	Y601 I603 R604 H605 V622 L623	Y601-D654 HydrophobicContact CD1-CB 3.92Å; Y601-D654 HydrophobicContact CE1-CB 3.78Å; I603-D654 WeakPolarHBondContact O-CA 3.4Å; R604-D654 WeakPolarHBondContact CA-OD1 3.4Å; H605-D654 PolarHBondContact N-OD1 3.42Å; V622-D654 CarbonylContact C-O 3.54Å; V622-D654 WeakPolarHBondContact CA-O 3.43Å; L623-D654 HydrophobicContact CB-CB 4.07Å; L623-D654 PolarHBondContact N-O 2.95Å; L623-D654 PolarHBondContact O-N 3.5Å
655	V	94.8	Very high	88	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	119.3	173	-176.4	0	0	0	0	108.3	Y601 L602 I603 L620 V622 L697	Y601-V655 CarbonylContact C-O 3.45Å; Y601-V655 WeakPolarHBondContact CA-O 3.31Å; L602-V655 HydrophobicContact CB-CB 4.39Å; L602-V655 HydrophobicContact CB-CG1 4.28Å; L602-V655 HydrophobicContact CD2-CG1 4.19Å; L602-V655 PolarHBondContact N-O 2.98Å; I603-V655 HydrophobicContact CB-CB 4.33Å; I603-V655 HydrophobicContact CB-CG2 4.36Å; I603-V655 PolarHBondContact N-O 3.41Å; I603-V655 PolarHBondContact O-N 3.43Å; L620-V655 HydrophobicContact CB-CG1 4.14Å; L620-V655 HydrophobicContact CD2-CG1 3.74Å; V622-V655 HydrophobicContact CG2-CG2 4.37Å; V655-L697 HydrophobicContact CG2-CD2 3.64Å
656	K	94.6	Very high	89.1	Confident	49 Å²	49	50.2 Å²	50.2	21%	0.213	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	137.7	-173.4	-179.3	179.2	158	-138.8	0	111.3	E600 Y601 L620 E621 L623	E600-K656 CarbonylContact O-C 3.59Å; E600-K656 VanDerWaalsContact O-CA 3.29Å; E600-K656 WeakPolarHBondContact O-CA 3.39Å; E600-K656 WeakPolarHBondContact O-CG 3.18Å; Y601-K656 HydrophobicContact CD1-CB 4.1Å; Y601-K656 HydrophobicContact CE1-CB 4.19Å; Y601-K656 HydrophobicContact CE1-CD 4.12Å; Y601-K656 HydrophobicContact CE2-CD 4.06Å; L620-K656 CarbonylContact C-O 3.19Å; L620-K656 VanDerWaalsContact CA-O 3.24Å; L620-K656 WeakPolarHBondContact CA-O 3.33Å; E621-K656 HydrophobicContact CG-CB 3.96Å; E621-K656 HydrophobicContact CG-CG 4.48Å; E621-K656 PolarHBondContact N-O 3.36Å; E621-K656 PolarHBondContact O-N 2.93Å; E621-K656 WeakPolarHBondContact OE1-CD 3.34Å; E621-K656 WeakPolarHBondContact OE1-CE 3.45Å; E621-K656 IonicContact OE1-NZ 2.65Å; E621-K656 PolarHBondContact OE1-NZ 3.19Å; L623-K656 HydrophobicContact CD1-CB 4.23Å; L623-K656 HydrophobicContact CD1-CD 4.09Å
657	A	94.8	Very high	90.1	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	131.8	178.6	0	0	0	0	0	111.3	C596 A597 G599 E600 C661	C596-A657 HydrophobicContact CB-CB 3.84Å; A597-A657 WeakPolarHBondContact O-CB 3.47Å; G599-A657 PolarHBondContact N-O 3Å; E600-A657 PolarHBondContact O-N 3.36Å; A657-C661 HydrophobicContact CB-CB 4.5Å
658	L	94.1	Very high	90.7	Very high	71 Å²	71	40.7 Å²	40.7	37%	0.372	20%	0.204	S	C	.	.	S	Bend	trans	-88.6	-36.9	173	-67.1	174.3	0	0	0	111.5	S619 E621 I631	S619-L658 WeakPolarHBondContact O-CB 3.26Å; S619-L658 PolarHBondContact O-N 3.26Å; E621-L658 HydrophobicContact CB-CD1 4.23Å; E621-L658 HydrophobicContact CB-CD2 4.14Å; E621-L658 HydrophobicContact CB-CG 4.11Å; E621-L658 VanDerWaalsContact CD-CD2 3.48Å; E621-L658 HydrophobicContact CG-CD2 3.86Å; E621-L658 HydrophobicContact CG-CG 4.16Å; I631-L658 HydrophobicContact CG2-CD1 4.33Å
659	T	92.1	Very high	91.1	Very high	60 Å²	60	42.8 Å²	42.8	37%	0.368	21%	0.205	S	C	.	.	S	Bend	trans	-124	179.9	179.4	55.3	0	0	0	0	110	G618 S619 C661	G618-T659 VanDerWaalsContact CA-OG1 3.27Å; G618-T659 WeakPolarHBondContact CA-OG1 3.28Å; S619-T659 PolarHBondContact N-OG1 2.94Å; S619-T659 PolarHBondContact O-N 2.88Å; S619-T659 PolarHBondContact OG-OG1 2.86Å; S619-T659 VanDerWaalsContact OG-OG1 3.06Å; T659-C661 PolarHBondContact O-N 3.29Å; T659-C661 PolarHBondContact O-SG 3.25Å
660	Y	88.4	Confident	91.5	Very high	129 Å²	129	42.6 Å²	42.6	51%	0.506	20%	0.204	S	C	.	.			trans	-65.9	115	168.7	-67.8	-72.7	0	0	0	109	F595 A597 P598	F595-Y660 HydrophobicContact CE1-CD1 4.2Å; F595-Y660 HydrophobicContact CE2-CD1 4.11Å; F595-Y660 AromaticContact CZ-CD1 3.39Å; F595-Y660 HydrophobicContact CZ-CD1 3.39Å; F595-Y660 HydrophobicContact CZ-CE1 4.11Å; F595-Y660 HydrophobicContact CZ-CG 4.22Å; A597-Y660 HydrophobicContact CB-CD1 4.22Å; A597-Y660 HydrophobicContact CB-CE1 4.04Å; P598-Y660 HydrophobicContact CG-CD1 4.24Å; P598-Y660 HydrophobicContact CG-CD2 4.15Å; P598-Y660 HydrophobicContact CG-CE1 4.23Å; P598-Y660 HydrophobicContact CG-CE2 4.1Å; P598-Y660 HydrophobicContact CG-CG 4.23Å
661	C	90	Very high	91.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	125.8	-174.2	-60.6	0	0	0	0	110.9	F595 C596 S617 S619 L620 A657 T659 L663	F595-C661 WeakPolarHBondContact CA-O 3.47Å; C596-C661 HydrophobicContact CB-CB 4.35Å; C596-C661 PolarHBondContact N-O 3.43Å; C596-C661 PolarHBondContact O-N 3.48Å; S617-C661 VanDerWaalsContact O-CA 3.3Å; S617-C661 WeakPolarHBondContact O-CA 3.44Å; S619-C661 PolarHBondContact N-SG 3.03Å; S619-C661 PolarHBondContact O-SG 2.92Å; L620-C661 HydrophobicContact CD1-CB 4.34Å; A657-C661 HydrophobicContact CB-CB 4.5Å; T659-C661 PolarHBondContact O-N 3.29Å; T659-C661 PolarHBondContact O-SG 3.25Å; C661-L663 HydrophobicContact CB-CG 4.48Å
662	D	89.2	Confident	91.7	Very high	60 Å²	60	36.8 Å²	36.8	32%	0.321	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	123.5	168.9	-66.4	-39.3	0	0	0	108.3	F595 C616 S617	F595-D662 WeakPolarHBondContact CD2-OD1 3.5Å; C616-D662 HydrophobicContact CB-CB 4.34Å; C616-D662 WeakPolarHBondContact CB-O 3.45Å; C616-D662 PolarHBondContact N-O 3.19Å; S617-D662 PolarHBondContact N-O 3.32Å; S617-D662 PolarHBondContact O-N 3.08Å
663	L	91.2	Very high	91.8	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.01	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	140.8	-174.1	-59.5	171	0	0	0	109.8	T593 S594 L602 Y613 F614 V615 L620 C661	T593-L663 CarbonylContact C-O 3.54Å; T593-L663 VanDerWaalsContact CA-O 3.28Å; T593-L663 WeakPolarHBondContact CA-O 3.02Å; S594-L663 PolarHBondContact N-O 3.05Å; S594-L663 PolarHBondContact O-N 3.33Å; L602-L663 HydrophobicContact CD1-CD1 3.59Å; L602-L663 HydrophobicContact CD2-CD1 3.59Å; L602-L663 HydrophobicContact CG-CD1 4.16Å; Y613-L663 HydrophobicContact CD1-CD1 4.43Å; F614-L663 WeakPolarHBondContact O-CA 3.27Å; V615-L663 HydrophobicContact CB-CD2 4.15Å; V615-L663 HydrophobicContact CG1-CD2 4.22Å; V615-L663 HydrophobicContact CG2-CD2 3.82Å; L620-L663 HydrophobicContact CD1-CD2 4.02Å; L620-L663 HydrophobicContact CD2-CD1 4.49Å; C661-L663 HydrophobicContact CB-CG 4.48Å
664	Q	92.8	Very high	91.9	Very high	15 Å²	15	40.4 Å²	40.4	7%	0.07	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	145.2	162.2	-78.9	172.7	-6.8	0	0	108.7	N567 I570 I591 K592 T593 Y613 F614 C616	N567-Q664 PolarHBondContact OD1-NE2 3.41Å; I570-Q664 HydrophobicContact CD1-CB 4.41Å; I591-Q664 HydrophobicContact CG2-CB 4.12Å; I591-Q664 HydrophobicContact CG2-CG 4.24Å; K592-Q664 CarbonylContact O-C 3.57Å; K592-Q664 VanDerWaalsContact O-CA 3.32Å; K592-Q664 WeakPolarHBondContact O-CA 3.29Å; T593-Q664 HydrophobicContact CG2-CG 3.96Å; Y613-Q664 CarbonylContact C-O 3.59Å; Y613-Q664 WeakPolarHBondContact CA-O 3.38Å; F614-Q664 HydrophobicContact CB-CB 4.39Å; F614-Q664 HydrophobicContact CD1-CB 4.36Å; F614-Q664 PolarHBondContact N-O 3.25Å; F614-Q664 PolarHBondContact O-N 3.06Å; C616-Q664 VanDerWaalsContact SG-CG 3.57Å
665	Y	92.8	Very high	91.8	Very high	57 Å²	57	39.4 Å²	39.4	22%	0.224	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	150.4	177.9	73.1	-90.8	0	0	0	112.4	K592 A611 D612 Y613	K592-Y665 HydrophobicContact CB-CD1 4.19Å; K592-Y665 HydrophobicContact CB-CE1 3.6Å; K592-Y665 HydrophobicContact CB-CE2 3.97Å; K592-Y665 VanDerWaalsContact CB-CZ 3.48Å; K592-Y665 HydrophobicContact CD-CE2 4.21Å; K592-Y665 WeakPolarHBondContact CD-OH 3.44Å; K592-Y665 PolarHBondContact N-O 3.36Å; K592-Y665 PolarHBondContact O-N 3.39Å; A611-Y665 HydrophobicContact CB-CD2 3.61Å; A611-Y665 HydrophobicContact CB-CE2 4.49Å; A611-Y665 HydrophobicContact CB-CG 4.23Å; D612-Y665 CarbonylContact O-C 3.47Å; D612-Y665 WeakPolarHBondContact O-CA 3.43Å; D612-Y665 VanDerWaalsContact O-CB 3.31Å; D612-Y665 WeakPolarHBondContact O-CB 3.25Å; Y613-Y665 HydrophobicContact CD1-CG 4.27Å; Y613-Y665 HydrophobicContact CE1-CD1 4.23Å; Y613-Y665 HydrophobicContact CE1-CG 4Å
666	I	93.4	Very high	91.6	Very high	6 Å²	6	47.8 Å²	47.8	3%	0.031	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	124.3	172.3	-55.4	176.9	0	0	0	107.1	I570 F576 I591 A611 D612 V668 L671	I570-I666 HydrophobicContact CD1-CD1 4.08Å; I570-I666 HydrophobicContact CD1-CG1 4.25Å; F576-I666 HydrophobicContact CZ-CD1 4.12Å; I591-I666 HydrophobicContact CB-CG1 4.41Å; I591-I666 HydrophobicContact CD1-CD1 4.18Å; I591-I666 HydrophobicContact CG1-CD1 3.64Å; I591-I666 HydrophobicContact CG1-CG1 3.5Å; A611-I666 CarbonylContact C-O 3.58Å; A611-I666 WeakPolarHBondContact CA-O 3.44Å; A611-I666 VanDerWaalsContact CB-O 3.3Å; A611-I666 WeakPolarHBondContact CB-O 3.39Å; D612-I666 PolarHBondContact N-O 2.65Å; D612-I666 PolarHBondContact O-N 2.7Å; I666-V668 PolarHBondContact O-N 2.64Å; I666-L671 HydrophobicContact CG2-CB 3.88Å; I666-L671 HydrophobicContact CG2-CD1 4.48Å
667	S	92.4	Very high	91.5	Very high	40 Å²	40	51.4 Å²	51.4	28%	0.28	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	136.9	176.2	74	0	0	0	0	110.3	H610 K669 A670 L671	H610-S667 CarbonylContact O-C 3.55Å; H610-S667 VanDerWaalsContact O-CA 3.3Å; H610-S667 WeakPolarHBondContact O-CA 3.4Å; S667-K669 PolarHBondContact O-N 2.91Å; S667-K669 VanDerWaalsContact O-N 3.15Å; S667-A670 PolarHBondContact O-N 3.02Å; S667-A670 VanDerWaalsContact O-N 3.1Å; S667-A670 WeakPolarHBondContact OG-CB 3.45Å; S667-A670 PolarHBondContact OG-N 3.24Å; S667-A670 VanDerWaalsContact OG-N 3.13Å; S667-L671 WeakPolarHBondContact O-CB 3.31Å; S667-L671 PolarHBondContact O-N 2.99Å
668	V	89.7	Confident	91.5	Very high	14 Å²	14	54.7 Å²	54.7	9%	0.085	25%	0.254	C	S	.	.	H	α-helix	trans	-56.3	-35.2	178.6	176.4	0	0	0	0	111.1	H610 L642 I666 R672	H610-V668 PolarHBondContact O-N 3.3Å; L642-V668 HydrophobicContact CD2-CG1 3.99Å; I666-V668 PolarHBondContact O-N 2.64Å; V668-R672 VanDerWaalsContact O-CB 3.31Å; V668-R672 WeakPolarHBondContact O-CB 3.42Å; V668-R672 PolarHBondContact O-N 3.35Å
669	K	89.3	Confident	91.3	Very high	153 Å²	153	55.7 Å²	55.7	67%	0.665	27%	0.265	S	S	*	.	H	α-helix	trans	-61.4	-55.2	175.2	-69.2	-177	178.6	-178.5	0	112.1	S667 L671 R672 E673	S667-K669 PolarHBondContact O-N 2.91Å; S667-K669 VanDerWaalsContact O-N 3.15Å; K669-L671 VanDerWaalsContact C-N 3.34Å; K669-L671 PolarHBondContact O-N 3.39Å; K669-R672 PolarHBondContact O-N 3.08Å; K669-E673 WeakPolarHBondContact O-CG 3.37Å; K669-E673 PolarHBondContact O-N 3.39Å
670	A	91.8	Very high	91.1	Very high	8 Å²	8	61.4 Å²	61.4	7%	0.066	29%	0.287	C	S	.	.	H	α-helix	trans	-64	-39.5	179	0	0	0	0	0	112.1	H590 S667 R672 E673 V674	H590-A670 HydrophobicContact CB-CB 3.84Å; S667-A670 PolarHBondContact O-N 3.02Å; S667-A670 VanDerWaalsContact O-N 3.1Å; S667-A670 WeakPolarHBondContact OG-CB 3.45Å; S667-A670 PolarHBondContact OG-N 3.24Å; S667-A670 VanDerWaalsContact OG-N 3.13Å; A670-R672 VanDerWaalsContact C-N 3.33Å; A670-R672 PolarHBondContact O-N 3.26Å; A670-E673 PolarHBondContact O-N 3.48Å; A670-V674 WeakPolarHBondContact O-CG2 3.43Å; A670-V674 PolarHBondContact O-N 2.99Å
671	L	91.4	Very high	91.2	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.01	27%	0.266	C	S	.	.	H	α-helix	trans	-57.9	-47.7	174.7	-177.6	56.3	0	0	0	110.5	L587 D612 L642 I666 S667 K669 E673 V674 L675 F685	L587-L671 HydrophobicContact CD2-CD1 3.63Å; D612-L671 WeakPolarHBondContact OD2-CD2 3.4Å; L642-L671 HydrophobicContact CD1-CD2 3.88Å; L642-L671 HydrophobicContact CD2-CD2 4.47Å; I666-L671 HydrophobicContact CG2-CB 3.88Å; I666-L671 HydrophobicContact CG2-CD1 4.48Å; S667-L671 WeakPolarHBondContact O-CB 3.31Å; S667-L671 PolarHBondContact O-N 2.99Å; K669-L671 VanDerWaalsContact C-N 3.34Å; K669-L671 PolarHBondContact O-N 3.39Å; L671-E673 PolarHBondContact O-N 3.01Å; L671-V674 PolarHBondContact O-N 2.86Å; L671-L675 HydrophobicContact CD1-CD1 4.08Å; L671-L675 HydrophobicContact CD1-CG 4.21Å; L671-L675 HydrophobicContact CG-CD1 3.94Å; L671-L675 HydrophobicContact CG-CG 4.46Å; L671-L675 WeakPolarHBondContact O-CB 3.01Å; L671-L675 VanDerWaalsContact O-CG 3.24Å; L671-L675 WeakPolarHBondContact O-CG 3.48Å; L671-L675 PolarHBondContact O-N 3Å; L671-F685 HydrophobicContact CD1-CE1 4.28Å; L671-F685 HydrophobicContact CD1-CZ 4.04Å; L671-F685 HydrophobicContact CD2-CE1 3.81Å; L671-F685 HydrophobicContact CD2-CZ 3.85Å; L671-F685 HydrophobicContact CG-CE1 4.31Å; L671-F685 HydrophobicContact CG-CZ 4.43Å
672	R	89.3	Confident	91.2	Very high	31 Å²	31	56.3 Å²	56.3	12%	0.117	27%	0.27	C	S	.	.	H	α-helix	trans	-63.2	-39.8	176.9	-172.7	-179.7	-71.1	148.3	-8.5	112.7	D646 V668 K669 A670 V674 L675 R676	D646-R672 IonicContact OD1-CZ 3.95Å; D646-R672 IonicContact OD1-NH1 3.54Å; D646-R672 PolarHBondContact OD1-NH1 3.15Å; D646-R672 IonicContact OD1-NH2 2.65Å; D646-R672 IonicContact OD2-NH1 3.03Å; V668-R672 VanDerWaalsContact O-CB 3.31Å; V668-R672 WeakPolarHBondContact O-CB 3.42Å; V668-R672 PolarHBondContact O-N 3.35Å; K669-R672 PolarHBondContact O-N 3.08Å; A670-R672 VanDerWaalsContact C-N 3.33Å; A670-R672 PolarHBondContact O-N 3.26Å; R672-V674 VanDerWaalsContact C-N 3.34Å; R672-L675 PolarHBondContact O-N 3.33Å; R672-R676 WeakPolarHBondContact O-CB 3.43Å; R672-R676 VanDerWaalsContact O-CG 3.28Å; R672-R676 WeakPolarHBondContact O-CG 3.39Å; R672-R676 PolarHBondContact O-N 3.35Å
673	E	91.3	Very high	91	Very high	111 Å²	111	57.4 Å²	57.4	52%	0.519	28%	0.282	S	S	.	.	H	α-helix	trans	-59.1	-45.6	175.2	-74.8	170.3	-173.3	0	0	111.4	K669 A670 L671 R676 L677	K669-E673 WeakPolarHBondContact O-CG 3.37Å; K669-E673 PolarHBondContact O-N 3.39Å; A670-E673 PolarHBondContact O-N 3.48Å; L671-E673 PolarHBondContact O-N 3.01Å; E673-R676 PolarHBondContact O-N 3.45Å; E673-L677 PolarHBondContact O-N 3.41Å
674	V	92.8	Very high	90.8	Very high	3 Å²	3	63.3 Å²	63.3	2%	0.018	31%	0.305	C	S	.	.	H	α-helix	trans	-68.8	-42.6	177.8	179.9	0	0	0	0	111.5	L587 A670 L671 R672 R676 L677 Y678	L587-V674 HydrophobicContact CD2-CB 3.86Å; L587-V674 HydrophobicContact CD2-CG1 3.75Å; L587-V674 HydrophobicContact CD2-CG2 4.22Å; L587-V674 HydrophobicContact CG-CB 4.46Å; L587-V674 HydrophobicContact CG-CG1 3.81Å; A670-V674 WeakPolarHBondContact O-CG2 3.43Å; A670-V674 PolarHBondContact O-N 2.99Å; L671-V674 PolarHBondContact O-N 2.86Å; R672-V674 VanDerWaalsContact C-N 3.34Å; V674-R676 PolarHBondContact O-N 3.35Å; V674-L677 WeakPolarHBondContact O-CB 3.46Å; V674-L677 PolarHBondContact O-N 3.21Å; V674-Y678 HydrophobicContact CG1-CD2 3.98Å; V674-Y678 HydrophobicContact CG1-CE2 4.23Å; V674-Y678 WeakPolarHBondContact O-CD2 3.47Å; V674-Y678 PolarHBondContact O-N 3.45Å
675	L	91.4	Very high	90.7	Very high	16 Å²	16	62.7 Å²	62.7	8%	0.084	30%	0.302	C	S	.	.	H	α-helix	trans	-64.3	-29.3	178.4	-67.4	173.7	0	0	0	112.6	L642 L671 R672 L677 Y678 Y681 F685	L642-L675 HydrophobicContact CD1-CD1 4.46Å; L671-L675 HydrophobicContact CD1-CD1 4.08Å; L671-L675 HydrophobicContact CD1-CG 4.21Å; L671-L675 HydrophobicContact CG-CD1 3.94Å; L671-L675 HydrophobicContact CG-CG 4.46Å; L671-L675 WeakPolarHBondContact O-CB 3.01Å; L671-L675 VanDerWaalsContact O-CG 3.24Å; L671-L675 WeakPolarHBondContact O-CG 3.48Å; L671-L675 PolarHBondContact O-N 3Å; R672-L675 PolarHBondContact O-N 3.33Å; L675-L677 VanDerWaalsContact C-N 3.32Å; L675-Y678 CarbonylContact O-C 3.52Å; L675-Y678 PolarHBondContact O-N 3.14Å; L675-Y681 HydrophobicContact CD2-CD1 3.77Å; L675-Y681 HydrophobicContact CD2-CE1 3.96Å; L675-F685 HydrophobicContact CD1-CD1 3.57Å; L675-F685 HydrophobicContact CD1-CE1 4.02Å; L675-F685 HydrophobicContact CD1-CG 4.15Å; L675-F685 HydrophobicContact CD2-CB 3.97Å; L675-F685 HydrophobicContact CD2-CD1 4.29Å; L675-F685 HydrophobicContact CD2-CG 4Å
676	R	91	Very high	90.4	Very high	176 Å²	176	62.5 Å²	62.5	66%	0.664	31%	0.309	S	S	*	.	H	α-helix	trans	-66.3	-32.3	171.5	-77.7	174.3	177.6	172.3	0.9	112.8	R672 E673 V674 Y678	R672-R676 WeakPolarHBondContact O-CB 3.43Å; R672-R676 VanDerWaalsContact O-CG 3.28Å; R672-R676 WeakPolarHBondContact O-CG 3.39Å; R672-R676 PolarHBondContact O-N 3.35Å; E673-R676 PolarHBondContact O-N 3.45Å; V674-R676 PolarHBondContact O-N 3.35Å; R676-Y678 VanDerWaalsContact C-N 3.32Å
677	L	92.7	Very high	90	Very high	126 Å²	126	65.6 Å²	65.6	66%	0.66	33%	0.331	S	S	*	.	H	α-helix	trans	-74.3	-24.8	174.8	-63.8	172.3	0	0	0	112.3	E673 V674 L675 P679	E673-L677 PolarHBondContact O-N 3.41Å; V674-L677 WeakPolarHBondContact O-CB 3.46Å; V674-L677 PolarHBondContact O-N 3.21Å; L675-L677 VanDerWaalsContact C-N 3.32Å; L677-P679 WeakPolarHBondContact O-CD 3.47Å
678	Y	93.6	Very high	89.8	Confident	69 Å²	69	65.2 Å²	65.2	27%	0.271	33%	0.326	S	S	.	.			trans	-122.8	69.2	-179.1	-63.1	-80.1	0	0	0	111.5	G582 C583 V674 L675 R676 E680 Y681 G682	G582-Y678 PolarHBondContact O-OH 3.33Å; C583-Y678 HydrophobicContact CB-CD1 4.05Å; C583-Y678 HydrophobicContact CB-CD2 3.81Å; C583-Y678 HydrophobicContact CB-CE1 4.19Å; C583-Y678 HydrophobicContact CB-CE2 3.96Å; C583-Y678 HydrophobicContact CB-CG 3.86Å; V674-Y678 HydrophobicContact CG1-CD2 3.98Å; V674-Y678 HydrophobicContact CG1-CE2 4.23Å; V674-Y678 WeakPolarHBondContact O-CD2 3.47Å; V674-Y678 PolarHBondContact O-N 3.45Å; L675-Y678 CarbonylContact O-C 3.52Å; L675-Y678 PolarHBondContact O-N 3.14Å; R676-Y678 VanDerWaalsContact C-N 3.32Å; Y678-E680 VanDerWaalsContact C-N 3.31Å; Y678-E680 PolarHBondContact O-N 2.93Å; Y678-Y681 PolarHBondContact O-N 3.41Å; Y678-G682 PolarHBondContact O-N 3.45Å
679	P	89.9	Confident	89.6	Confident	91 Å²	91	64.7 Å²	64.7	59%	0.591	32%	0.322	S	S	*	.	H	α-helix	trans	-62.4	-34.4	-171	24.8	-34.9	0	0	0	113.6	L677 Y681 G682 S683	L677-P679 WeakPolarHBondContact O-CD 3.47Å; P679-Y681 VanDerWaalsContact C-N 3.27Å; P679-Y681 PolarHBondContact O-N 3.45Å; P679-G682 PolarHBondContact O-N 3.44Å; P679-S683 PolarHBondContact O-N 3.49Å
680	E	88.7	Confident	89.4	Confident	180 Å²	180	61.6 Å²	61.6	84%	0.841	31%	0.31	S	S	*	.	H	α-helix	trans	-60.8	-37.3	176	-63.5	-178.1	176.7	0	0	112.4	Y678 S683	Y678-E680 VanDerWaalsContact C-N 3.31Å; Y678-E680 PolarHBondContact O-N 2.93Å; E680-S683 PolarHBondContact O-OG 3.47Å
681	Y	91	Very high	89	Confident	14 Å²	14	68.2 Å²	68.2	6%	0.055	34%	0.339	C	S	.	.	H	α-helix	trans	-83.8	-35	177.1	179.3	-111.5	0	0	0	111.3	V575 F576 A579 C583 L675 Y678 P679 S683 R684 F685	V575-Y681 PolarHBondContact O-OH 3.44Å; F576-Y681 WeakPolarHBondContact CA-OH 3.5Å; F576-Y681 WeakPolarHBondContact CD1-OH 3.26Å; A579-Y681 HydrophobicContact CB-CD1 4.34Å; A579-Y681 HydrophobicContact CB-CD2 4.14Å; A579-Y681 HydrophobicContact CB-CE1 3.89Å; A579-Y681 HydrophobicContact CB-CE2 3.72Å; A579-Y681 HydrophobicContact CB-CG 4.44Å; C583-Y681 VanDerWaalsContact SG-CD1 3.52Å; L675-Y681 HydrophobicContact CD2-CD1 3.77Å; L675-Y681 HydrophobicContact CD2-CE1 3.96Å; Y678-Y681 PolarHBondContact O-N 3.41Å; P679-Y681 VanDerWaalsContact C-N 3.27Å; P679-Y681 PolarHBondContact O-N 3.45Å; Y681-S683 PolarHBondContact O-N 3.24Å; Y681-R684 PolarHBondContact O-N 3.48Å; Y681-F685 HydrophobicContact CE1-CB 4.24Å; Y681-F685 AromaticContact CE1-CD2 3.96Å; Y681-F685 HydrophobicContact CE1-CD2 3.96Å; Y681-F685 HydrophobicContact CE1-CG 4.44Å; Y681-F685 AromaticContact CZ-CD2 3.83Å; Y681-F685 WeakPolarHBondContact O-CB 3.17Å; Y681-F685 PolarHBondContact O-N 3.16Å; Y681-F685 WeakPolarHBondContact OH-CD2 3.25Å
682	G	88.9	Confident	88.7	Confident	8 Å²	8	70.7 Å²	70.7	8%	0.082	35%	0.353	C	S	.	.	H	α-helix	trans	-58.5	-45.9	-179.6	0	0	0	0	0	114.2	Y678 P679 R684 F685 S686	Y678-G682 PolarHBondContact O-N 3.45Å; P679-G682 PolarHBondContact O-N 3.44Å; G682-R684 VanDerWaalsContact C-N 3.27Å; G682-R684 PolarHBondContact O-N 2.86Å; G682-F685 PolarHBondContact O-N 3.37Å; G682-S686 PolarHBondContact O-N 3.25Å; G682-S686 PolarHBondContact O-OG 2.69Å
683	S	86.5	Confident	88.7	Confident	84 Å²	84	70.2 Å²	70.2	59%	0.587	35%	0.352	S	S	*	.	H	α-helix	trans	-61.6	-38.2	177.1	59	0	0	0	0	112.2	P679 E680 Y681 S687	P679-S683 PolarHBondContact O-N 3.49Å; E680-S683 PolarHBondContact O-OG 3.47Å; Y681-S683 PolarHBondContact O-N 3.24Å; S683-S687 PolarHBondContact O-N 3.21Å
684	R	86.8	Confident	88.5	Confident	126 Å²	126	68.3 Å²	68.3	48%	0.475	35%	0.348	S	S	.	.	H	α-helix	trans	-73	-43	179.4	-151	169	-169.4	156.9	0.9	111.7	Y681 G682 S686 S687 D688	Y681-R684 PolarHBondContact O-N 3.48Å; G682-R684 VanDerWaalsContact C-N 3.27Å; G682-R684 PolarHBondContact O-N 2.86Å; R684-S686 VanDerWaalsContact C-N 3.3Å; R684-S686 PolarHBondContact O-N 2.73Å; R684-S687 PolarHBondContact O-N 3.25Å; R684-S687 VanDerWaalsContact O-N 3.09Å; R684-D688 WeakPolarHBondContact O-CB 3.21Å; R684-D688 PolarHBondContact O-N 2.56Å
685	F	90.6	Very high	88.4	Confident	2 Å²	2	68.4 Å²	68.4	1%	0.009	35%	0.348	C	S	.	.	H	α-helix	trans	-55.9	-45.4	174.4	-176.5	-89.6	0	0	0	111.3	V575 F576 L642 L671 L675 Y681 G682 S687 D688 I689	V575-F685 HydrophobicContact CB-CE2 4.5Å; V575-F685 HydrophobicContact CG1-CE2 4.27Å; V575-F685 HydrophobicContact CG2-CD2 3.66Å; V575-F685 HydrophobicContact CG2-CE2 3.5Å; V575-F685 VanDerWaalsContact CG2-CE2 3.5Å; V575-F685 HydrophobicContact CG2-CZ 4.24Å; F576-F685 HydrophobicContact CD1-CE2 4.15Å; F576-F685 HydrophobicContact CE1-CD2 4.34Å; F576-F685 AromaticContact CE1-CE2 3.5Å; F576-F685 HydrophobicContact CE1-CE2 3.5Å; F576-F685 VanDerWaalsContact CE1-CE2 3.5Å; F576-F685 HydrophobicContact CE1-CZ 4.26Å; F576-F685 AromaticContact CZ-CE2 3.97Å; F576-F685 HydrophobicContact CZ-CE2 3.97Å; F576-F685 HydrophobicContact CZ-CZ 4.43Å; L642-F685 HydrophobicContact CD1-CD1 3.98Å; L642-F685 HydrophobicContact CD1-CE1 3.48Å; L642-F685 VanDerWaalsContact CD1-CE1 3.48Å; L671-F685 HydrophobicContact CD1-CE1 4.28Å; L671-F685 HydrophobicContact CD1-CZ 4.04Å; L671-F685 HydrophobicContact CD2-CE1 3.81Å; L671-F685 HydrophobicContact CD2-CZ 3.85Å; L671-F685 HydrophobicContact CG-CE1 4.31Å; L671-F685 HydrophobicContact CG-CZ 4.43Å; L675-F685 HydrophobicContact CD1-CD1 3.57Å; L675-F685 HydrophobicContact CD1-CE1 4.02Å; L675-F685 HydrophobicContact CD1-CG 4.15Å; L675-F685 HydrophobicContact CD2-CB 3.97Å; L675-F685 HydrophobicContact CD2-CD1 4.29Å; L675-F685 HydrophobicContact CD2-CG 4Å; Y681-F685 HydrophobicContact CE1-CB 4.24Å; Y681-F685 AromaticContact CE1-CD2 3.96Å; Y681-F685 HydrophobicContact CE1-CD2 3.96Å; Y681-F685 HydrophobicContact CE1-CG 4.44Å; Y681-F685 AromaticContact CZ-CD2 3.83Å; Y681-F685 WeakPolarHBondContact O-CB 3.17Å; Y681-F685 PolarHBondContact O-N 3.16Å; Y681-F685 WeakPolarHBondContact OH-CD2 3.25Å; G682-F685 PolarHBondContact O-N 3.37Å; F685-S687 VanDerWaalsContact C-N 3.27Å; F685-S687 PolarHBondContact O-N 3.08Å; F685-D688 PolarHBondContact O-N 3.12Å; F685-I689 HydrophobicContact CE1-CB 4.22Å; F685-I689 HydrophobicContact CE1-CD1 3.53Å; F685-I689 HydrophobicContact CE1-CG1 4.46Å; F685-I689 HydrophobicContact CZ-CD1 3.57Å; F685-I689 WeakPolarHBondContact O-CB 3.47Å; F685-I689 WeakPolarHBondContact O-CG2 3.5Å; F685-I689 PolarHBondContact O-N 3.37Å
686	S	86.8	Confident	88.3	Confident	53 Å²	53	68.4 Å²	68.4	37%	0.371	35%	0.348	S	S	.	.	H	α-helix	trans	-62.2	-31.7	177.2	-63.9	0	0	0	0	113.5	G682 R684	G682-S686 PolarHBondContact O-N 3.25Å; G682-S686 PolarHBondContact O-OG 2.69Å; R684-S686 VanDerWaalsContact C-N 3.3Å; R684-S686 PolarHBondContact O-N 2.73Å
687	S	84.5	Confident	88	Confident	71 Å²	71	60 Å²	60	50%	0.497	32%	0.316	S	S	.	.	H	α-helix	trans	-78.9	-37.6	175.1	-174.9	0	0	0	0	112.5	S683 R684 F685 H691	S683-S687 PolarHBondContact O-N 3.21Å; R684-S687 PolarHBondContact O-N 3.25Å; R684-S687 VanDerWaalsContact O-N 3.09Å; F685-S687 VanDerWaalsContact C-N 3.27Å; F685-S687 PolarHBondContact O-N 3.08Å; S687-H691 PolarHBondContact O-ND1 3.43Å; S687-H691 VanDerWaalsContact O-ND1 3.1Å
688	D	87.2	Confident	87.6	Confident	32 Å²	32	59 Å²	59	17%	0.171	30%	0.304	C	S	.	.	H	α-helix	trans	-79.1	-35.4	-174.9	-71.1	-14	0	0	0	110.9	V575 R578 R684 F685 H690 H691 N692	V575-D688 HydrophobicContact CG2-CB 4.32Å; R578-D688 IonicContact NH1-OD2 3.84Å; R684-D688 WeakPolarHBondContact O-CB 3.21Å; R684-D688 PolarHBondContact O-N 2.56Å; F685-D688 PolarHBondContact O-N 3.12Å; D688-H690 VanDerWaalsContact C-N 3.33Å; D688-H690 PolarHBondContact O-N 3.12Å; D688-H691 PolarHBondContact O-N 3.47Å; D688-N692 PolarHBondContact O-N 3.15Å; D688-N692 PolarHBondContact O-ND2 3.32Å
689	I	87.1	Confident	86.6	Confident	2 Å²	2	61.5 Å²	61.5	1%	0.01	32%	0.318	C	S	.	.	H	α-helix	trans	-60.4	-40	-176.9	-168.7	153.8	0	0	0	112.6	V575 L642 F685 H691 N692 L693	V575-I689 HydrophobicContact CG2-CB 4.28Å; L642-I689 HydrophobicContact CD1-CD1 4.33Å; F685-I689 HydrophobicContact CE1-CB 4.22Å; F685-I689 HydrophobicContact CE1-CD1 3.53Å; F685-I689 HydrophobicContact CE1-CG1 4.46Å; F685-I689 HydrophobicContact CZ-CD1 3.57Å; F685-I689 WeakPolarHBondContact O-CB 3.47Å; F685-I689 WeakPolarHBondContact O-CG2 3.5Å; F685-I689 PolarHBondContact O-N 3.37Å; I689-H691 PolarHBondContact O-N 3.43Å; I689-H691 VanDerWaalsContact O-N 3.14Å; I689-N692 PolarHBondContact O-N 3.46Å; I689-L693 HydrophobicContact CG1-CD1 4.15Å; I689-L693 HydrophobicContact CG1-CD2 4.23Å; I689-L693 HydrophobicContact CG1-CG 3.94Å; I689-L693 WeakPolarHBondContact O-CG 3.31Å; I689-L693 PolarHBondContact O-N 3.21Å
690	H	83.3	Confident	85.3	Confident	88 Å²	88	57.8 Å²	57.8	41%	0.407	30%	0.296	S	S	.	.	H	α-helix	trans	-56.2	-35.1	179.4	-171.9	73.6	0	0	0	112.9	D641 D688 E699	D641-H690 VanDerWaalsContact CG-ND1 3.29Å; D641-H690 WeakPolarHBondContact OD1-CA 3.47Å; D641-H690 VanDerWaalsContact OD1-CB 3.24Å; D641-H690 WeakPolarHBondContact OD1-CB 3.48Å; D641-H690 IonicContact OD1-CG 2.71Å; D641-H690 PolarHBondContact OD1-N 3.33Å; D641-H690 IonicContact OD1-ND1 3.46Å; D641-H690 PolarHBondContact OD1-ND1 3.41Å; D641-H690 IonicContact OD2-CE1 3.56Å; D641-H690 IonicContact OD2-CG 3.7Å; D641-H690 IonicContact OD2-ND1 3.55Å; D641-H690 PolarHBondContact OD2-ND1 3.31Å; D688-H690 VanDerWaalsContact C-N 3.33Å; D688-H690 PolarHBondContact O-N 3.12Å; H690-E699 IonicContact CE1-OE2 3.92Å
691	H	83.5	Confident	83.3	Confident	147 Å²	147	56.1 Å²	56.1	68%	0.681	30%	0.304	S	S	*	.	H	α-helix	trans	-90.5	-14.5	-179.4	-60.3	90.3	0	0	0	113.7	S687 D688 I689	S687-H691 PolarHBondContact O-ND1 3.43Å; S687-H691 VanDerWaalsContact O-ND1 3.1Å; D688-H691 PolarHBondContact O-N 3.47Å; I689-H691 PolarHBondContact O-N 3.43Å; I689-H691 VanDerWaalsContact O-N 3.14Å
692	N	85.9	Confident	83	Confident	55 Å²	55	58.2 Å²	58.2	29%	0.294	32%	0.317	S	S	.	.	H	α-helix	trans	-106	-5	-175.3	-75.5	-80	0	0	0	113.3	V575 D688 I689	V575-N692 HydrophobicContact CB-CB 4.29Å; D688-N692 PolarHBondContact O-N 3.15Å; D688-N692 PolarHBondContact O-ND2 3.32Å; I689-N692 PolarHBondContact O-N 3.46Å
693	L	88.6	Confident	82.6	Confident	21 Å²	21	60.8 Å²	60.8	11%	0.11	33%	0.329	C	S	.	.			trans	-74.4	124.8	170.2	-72.3	172	0	0	0	109.8	L637 I689 Y695 N696	L637-L693 HydrophobicContact CD2-CD2 4.01Å; L637-L693 HydrophobicContact CG-CD2 3.97Å; I689-L693 HydrophobicContact CG1-CD1 4.15Å; I689-L693 HydrophobicContact CG1-CD2 4.23Å; I689-L693 HydrophobicContact CG1-CG 3.94Å; I689-L693 WeakPolarHBondContact O-CG 3.31Å; I689-L693 PolarHBondContact O-N 3.21Å; L693-Y695 VanDerWaalsContact C-N 3.27Å; L693-N696 HydrophobicContact CD1-CB 4.46Å
694	T	88.9	Confident	82.4	Confident	70 Å²	70	59.6 Å²	59.6	43%	0.429	32%	0.315	S	S	.	.	S	Bend	trans	-67.8	-33.2	172.6	-48.2	0	0	0	0	110.8	L632 D636 L637	L632-T694 HydrophobicContact CD2-CG2 3.68Å; D636-T694 WeakPolarHBondContact CA-OG1 3.37Å; D636-T694 HydrophobicContact CB-CG2 4.1Å; D636-T694 WeakPolarHBondContact CB-OG1 3.45Å; D636-T694 WeakPolarHBondContact OD1-CG2 3.17Å; D636-T694 PolarHBondContact OD1-OG1 3.23Å; L637-T694 PolarHBondContact N-OG1 2.95Å; L637-T694 PolarHBondContact O-N 3.25Å
695	Y	89	Confident	82.2	Confident	6 Å²	6	55.6 Å²	55.6	2%	0.024	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	124.1	173.3	-166.2	-86.6	0	0	0	110.9	V622 Q629 A630 A653 L693 L697	V622-Y695 HydrophobicContact CG1-CD1 4.13Å; V622-Y695 HydrophobicContact CG1-CE1 3.64Å; V622-Y695 HydrophobicContact CG1-CE2 4.09Å; V622-Y695 HydrophobicContact CG2-CD1 4.46Å; V622-Y695 HydrophobicContact CG2-CG 4.35Å; Q629-Y695 HydrophobicContact CB-CE2 4.19Å; A630-Y695 HydrophobicContact CB-CD2 3.78Å; A630-Y695 HydrophobicContact CB-CE2 4.14Å; A653-Y695 HydrophobicContact CB-CE1 4.21Å; L693-Y695 VanDerWaalsContact C-N 3.27Å; Y695-L697 HydrophobicContact CD1-CD2 3.94Å; Y695-L697 HydrophobicContact CD1-CG 4.4Å; Y695-L697 HydrophobicContact CE1-CD2 4.1Å
696	N	89.4	Confident	81.7	Confident	15 Å²	15	59 Å²	59	8%	0.08	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	110.1	177.2	-168.9	-29.2	0	0	0	110.3	D641 L693 R698 G700	D641-N696 PolarHBondContact OD2-ND2 3Å; L693-N696 HydrophobicContact CD1-CB 4.46Å; N696-R698 PolarHBondContact O-N 3.42Å; N696-R698 WeakPolarHBondContact OD1-CB 3.29Å; N696-R698 PolarHBondContact OD1-N 2.99Å; N696-G700 WeakPolarHBondContact O-CA 3.38Å; N696-G700 PolarHBondContact O-N 3.05Å
697	L	85.9	Confident	81.3	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-11.1	-177.2	-70.8	172.2	0	0	0	113.7	I603 L609 I638 G639 T651 N652 V655 Y695	I603-L697 HydrophobicContact CD1-CD1 3.55Å; L609-L697 HydrophobicContact CD1-CD1 3.67Å; I638-L697 HydrophobicContact CG2-CD1 3.72Å; I638-L697 HydrophobicContact CG2-CD2 4.34Å; I638-L697 HydrophobicContact CG2-CG 3.94Å; G639-L697 PolarHBondContact O-N 2.76Å; T651-L697 CarbonylContact C-O 3.47Å; T651-L697 WeakPolarHBondContact CA-O 3.49Å; T651-L697 HydrophobicContact CG2-CB 4.39Å; N652-L697 WeakPolarHBondContact CB-O 3.48Å; N652-L697 PolarHBondContact N-O 3.44Å; V655-L697 HydrophobicContact CG2-CD2 3.64Å; Y695-L697 HydrophobicContact CD1-CD2 3.94Å; Y695-L697 HydrophobicContact CD1-CG 4.4Å; Y695-L697 HydrophobicContact CE1-CD2 4.1Å
698	R	83	Confident	81.1	Confident	104 Å²	104	58.6 Å²	58.6	39%	0.392	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-49	176.8	-177.4	-178.4	174.1	-176.9	-4.9	112.1	A640 I649 N696	A640-R698 HydrophobicContact CB-CB 3.97Å; I649-R698 HydrophobicContact CG2-CB 3.96Å; I649-R698 HydrophobicContact CG2-CG 4.15Å; N696-R698 PolarHBondContact O-N 3.42Å; N696-R698 WeakPolarHBondContact OD1-CB 3.29Å; N696-R698 PolarHBondContact OD1-N 2.99Å
699	E	73.6	Confident	80.6	Confident	123 Å²	123	60.6 Å²	60.6	58%	0.575	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-27.4	-171.4	-63.4	-173.5	165.4	0	0	112.6	N652 H690	N652-E699 PolarHBondContact ND2-O 3.09Å; H690-E699 IonicContact CE1-OE2 3.92Å
700	G	63.2	Low	80.1	Confident	12 Å²	12	65.5 Å²	65.5	12%	0.124	34%	0.344	C	S	.	.			trans	98.3	-177.9	-165.2	0	0	0	0	0	111.2	N696	N696-G700 WeakPolarHBondContact O-CA 3.38Å; N696-G700 PolarHBondContact O-N 3.05Å
701	S	46.7	Very low	79.8	Confident	145 Å²	145	63.5 Å²	63.5	100%	1.014	34%	0.338	S	S	*	.			trans	-62.6	0	179.6	59.1	0	0	0	0	113.6

Retrieved 701 of 701 residues in 4832.7 ms (Link to these results)

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