A0A096NJQ1_PAPAN Loading...

Cholesterol 24-hydroxylase

P450 monooxygenase that plays a major role in cholesterol homeostasis in the brain. Primarily catalyzes the hydroxylation (with S stereochemistry) at C-24 of cholesterol side chain, triggering cholesterol diffusion out of neurons and its further degradation. By promoting constant cholesterol elimination in neurons, may activate the mevalonate pathway and coordinate the synthesis of new cholesterol and nonsterol isoprenoids involved in synaptic activity and learning. Further hydroxylates cholesterol derivatives and hormone steroids on both the ring and side chain of these molecules, converting them into active oxysterols involved in lipid signaling and biosynthesis. Acts as an epoxidase converting cholesta-5,24-dien-3beta-ol/desmosterol into (24S),25-epoxycholesterol, an abundant lipid ligand of nuclear NR1H2 and NR1H3 receptors shown to promote neurogenesis in developing brain. May also catalyze the oxidative metabolism of xenobiotics, such as clotrimazole.

AlphaFold DB (A0A2I3M7E1), UniProt , Accession A0A096NJQ1, Species PAPAN (Papio anubis, Olive baboon), Gene CYP46A1, Length 500 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	57	Low	76.7	Confident	187 Å²	187	92.3 Å²	92.3	92%	0.921	56%	0.563	S	S	*	*				0	129.2	0	-72.6	170.2	68.5	0	0	107.6	L6	M1-L6 HydrophobicContact CE-CD2 4.08Å; M1-L6 HydrophobicContact CE-CG 4.33Å
2	S	67.6	Low	77.8	Confident	64 Å²	64	92.3 Å²	92.3	45%	0.448	56%	0.563	S	S	.	*			trans	-65.1	141.7	-179.1	69	0	0	0	0	110.1	G4 L5	S2-G4 PolarHBondContact O-N 3.3Å; S2-G4 VanDerWaalsContact O-N 3.08Å; S2-L5 PolarHBondContact O-N 3.35Å; S2-L5 WeakPolarHBondContact OG-CD1 3.36Å; S2-L5 PolarHBondContact OG-N 3.3Å
3	P	73.2	Confident	78.7	Confident	101 Å²	101	95 Å²	95	66%	0.656	57%	0.571	S	S	*	*	H	α-helix	trans	-53	-31.1	177.1	-25.5	32.5	0	0	0	113	L6 L7	P3-L6 PolarHBondContact O-N 3.28Å; P3-L7 PolarHBondContact O-N 3.11Å; P3-L7 VanDerWaalsContact O-N 3.08Å
4	G	71.4	Confident	79.7	Confident	46 Å²	46	96.6 Å²	96.6	47%	0.474	57%	0.574	S	S	.	*	H	α-helix	trans	-64.7	-36.3	176.1	0	0	0	0	0	114.4	S2 L8	S2-G4 PolarHBondContact O-N 3.3Å; S2-G4 VanDerWaalsContact O-N 3.08Å; G4-L8 WeakPolarHBondContact O-CB 3.26Å; G4-L8 PolarHBondContact O-N 3.27Å
5	L	73.4	Confident	80.4	Confident	114 Å²	114	94.1 Å²	94.1	60%	0.597	57%	0.569	S	S	*	*	H	α-helix	trans	-69.2	-36.3	176.1	-106.7	98	0	0	0	112	S2 G9	S2-L5 PolarHBondContact O-N 3.35Å; S2-L5 WeakPolarHBondContact OG-CD1 3.36Å; S2-L5 PolarHBondContact OG-N 3.3Å; L5-G9 PolarHBondContact O-N 2.76Å
6	L	76.8	Confident	81.1	Confident	95 Å²	95	95.5 Å²	95.5	50%	0.497	57%	0.565	S	S	.	*	H	α-helix	trans	-68.5	-42.1	177.6	-78.6	162	0	0	0	111.5	M1 P3 G9 S10	M1-L6 HydrophobicContact CE-CD2 4.08Å; M1-L6 HydrophobicContact CE-CG 4.33Å; P3-L6 PolarHBondContact O-N 3.28Å; L6-G9 PolarHBondContact O-N 3.48Å; L6-S10 WeakPolarHBondContact O-CB 3.48Å; L6-S10 PolarHBondContact O-N 3.49Å; L6-S10 PolarHBondContact O-OG 2.64Å
7	L	80.8	Confident	81.7	Confident	127 Å²	127	91.6 Å²	91.6	67%	0.665	55%	0.55	S	S	*	.	H	α-helix	trans	-63.4	-44.5	174.9	-78.5	163.7	0	0	0	111.9	P3 S10 A11	P3-L7 PolarHBondContact O-N 3.11Å; P3-L7 VanDerWaalsContact O-N 3.08Å; L7-S10 PolarHBondContact O-N 2.74Å; L7-A11 WeakPolarHBondContact O-CB 3.45Å; L7-A11 PolarHBondContact O-N 2.94Å
8	L	83.5	Confident	82.3	Confident	119 Å²	119	92.7 Å²	92.7	62%	0.623	55%	0.551	S	S	*	*	H	α-helix	trans	-63.2	-44.5	176.8	-167.9	73.7	0	0	0	111.5	G4 S10 A11 V12	G4-L8 WeakPolarHBondContact O-CB 3.26Å; G4-L8 PolarHBondContact O-N 3.27Å; L8-S10 VanDerWaalsContact C-N 3.34Å; L8-S10 PolarHBondContact O-N 3.05Å; L8-A11 PolarHBondContact O-N 3.49Å; L8-V12 WeakPolarHBondContact O-CG2 3.47Å; L8-V12 PolarHBondContact O-N 2.87Å
9	G	84.2	Confident	82.7	Confident	33 Å²	33	90.9 Å²	90.9	34%	0.34	54%	0.544	S	S	.	.	H	α-helix	trans	-59.9	-43.2	175.9	0	0	0	0	0	112.7	L5 L6 V12 L13	L5-G9 PolarHBondContact O-N 2.76Å; L6-G9 PolarHBondContact O-N 3.48Å; G9-V12 PolarHBondContact O-N 2.83Å; G9-L13 WeakPolarHBondContact O-CG 3.48Å; G9-L13 PolarHBondContact O-N 3.46Å
10	S	86.8	Confident	83.1	Confident	72 Å²	72	87.5 Å²	87.5	50%	0.503	52%	0.524	S	S	.	.	H	α-helix	trans	-65.1	-42.3	178.6	-57	0	0	0	0	112	L6 L7 L8 L13 L14	L6-S10 WeakPolarHBondContact O-CB 3.48Å; L6-S10 PolarHBondContact O-N 3.49Å; L6-S10 PolarHBondContact O-OG 2.64Å; L7-S10 PolarHBondContact O-N 2.74Å; L8-S10 VanDerWaalsContact C-N 3.34Å; L8-S10 PolarHBondContact O-N 3.05Å; S10-L13 PolarHBondContact O-N 2.88Å; S10-L14 WeakPolarHBondContact O-CB 3.31Å; S10-L14 PolarHBondContact O-N 2.85Å
11	A	88.9	Confident	83.6	Confident	57 Å²	57	86.4 Å²	86.4	47%	0.471	52%	0.518	S	S	.	.	H	α-helix	trans	-63.4	-40.9	176.1	0	0	0	0	0	112.4	L7 L8 L14 A15	L7-A11 WeakPolarHBondContact O-CB 3.45Å; L7-A11 PolarHBondContact O-N 2.94Å; L8-A11 PolarHBondContact O-N 3.49Å; A11-L14 PolarHBondContact O-N 3.01Å; A11-A15 WeakPolarHBondContact O-CB 3.48Å; A11-A15 PolarHBondContact O-N 3.12Å
12	V	89.8	Confident	85.2	Confident	93 Å²	93	83 Å²	83	56%	0.564	50%	0.498	S	S	*	.	H	α-helix	trans	-65.1	-44	176.8	171.3	0	0	0	0	111.3	L8 G9 A15 F16	L8-V12 WeakPolarHBondContact O-CG2 3.47Å; L8-V12 PolarHBondContact O-N 2.87Å; G9-V12 PolarHBondContact O-N 2.83Å; V12-A15 PolarHBondContact O-N 3.47Å; V12-F16 WeakPolarHBondContact O-CB 3.33Å; V12-F16 PolarHBondContact O-N 3.11Å
13	L	90.1	Very high	86.3	Confident	127 Å²	127	80.3 Å²	80.3	67%	0.665	48%	0.479	S	S	*	.	H	α-helix	trans	-64	-42.2	177.3	-72.6	172.3	0	0	0	111.9	G9 S10 F16 G17	G9-L13 WeakPolarHBondContact O-CG 3.48Å; G9-L13 PolarHBondContact O-N 3.46Å; S10-L13 PolarHBondContact O-N 2.88Å; L13-F16 PolarHBondContact O-N 3.02Å; L13-G17 PolarHBondContact O-N 3.41Å
14	L	92.9	Very high	87.2	Confident	118 Å²	118	79.9 Å²	79.9	62%	0.618	47%	0.468	S	S	*	.	H	α-helix	trans	-62.1	-47.5	175.4	-177.5	65.2	0	0	0	111.2	S10 A11 F16 G17 L18	S10-L14 WeakPolarHBondContact O-CB 3.31Å; S10-L14 PolarHBondContact O-N 2.85Å; A11-L14 PolarHBondContact O-N 3.01Å; L14-F16 VanDerWaalsContact C-N 3.31Å; L14-F16 PolarHBondContact O-N 3.03Å; L14-G17 PolarHBondContact O-N 2.99Å; L14-L18 HydrophobicContact CG-CD1 4.2Å; L14-L18 WeakPolarHBondContact O-CB 3.39Å; L14-L18 WeakPolarHBondContact O-CG 3.22Å; L14-L18 PolarHBondContact O-N 3.01Å
15	A	89.9	Confident	88.2	Confident	59 Å²	59	86.3 Å²	86.3	49%	0.488	48%	0.478	S	S	.	.	H	α-helix	trans	-60.8	-40.4	177	0	0	0	0	0	112.1	A11 V12 C19	A11-A15 WeakPolarHBondContact O-CB 3.48Å; A11-A15 PolarHBondContact O-N 3.12Å; V12-A15 PolarHBondContact O-N 3.47Å; A15-C19 VanDerWaalsContact O-CB 3.29Å; A15-C19 WeakPolarHBondContact O-CB 3.39Å; A15-C19 PolarHBondContact O-N 3.38Å
16	F	90.9	Very high	89	Confident	116 Å²	116	82.1 Å²	82.1	51%	0.509	46%	0.46	S	S	.	.	H	α-helix	trans	-64.4	-45.1	175.2	-178.3	-97.4	0	0	0	112.1	V12 L13 L14 C19 C20 L42	V12-F16 WeakPolarHBondContact O-CB 3.33Å; V12-F16 PolarHBondContact O-N 3.11Å; L13-F16 PolarHBondContact O-N 3.02Å; L14-F16 VanDerWaalsContact C-N 3.31Å; L14-F16 PolarHBondContact O-N 3.03Å; F16-C19 WeakPolarHBondContact O-CB 3.43Å; F16-C19 PolarHBondContact O-N 2.9Å; F16-C20 WeakPolarHBondContact CE1-SG 3.49Å; F16-C20 WeakPolarHBondContact O-CB 3.42Å; F16-C20 PolarHBondContact O-N 3.36Å; F16-C20 PolarHBondContact O-SG 3.22Å; F16-L42 HydrophobicContact CE2-CD1 3.63Å; F16-L42 HydrophobicContact CZ-CD1 4.16Å
17	G	92	Very high	89.7	Confident	30 Å²	30	77.7 Å²	77.7	31%	0.309	44%	0.436	S	S	.	.	H	α-helix	trans	-62.1	-43.5	176.6	0	0	0	0	0	112.7	L13 L14 C20 T21	L13-G17 PolarHBondContact O-N 3.41Å; L14-G17 PolarHBondContact O-N 2.99Å; G17-C20 PolarHBondContact O-N 3.49Å; G17-T21 WeakPolarHBondContact O-CB 3.4Å; G17-T21 PolarHBondContact O-N 3.29Å; G17-T21 PolarHBondContact O-OG1 3.45Å
18	L	92.8	Very high	90.3	Very high	110 Å²	110	74 Å²	74	58%	0.576	42%	0.421	S	S	*	.	H	α-helix	trans	-62.2	-43.1	173.7	-71.4	173.5	0	0	0	111.6	L14 T21 F22	L14-L18 HydrophobicContact CG-CD1 4.2Å; L14-L18 WeakPolarHBondContact O-CB 3.39Å; L14-L18 WeakPolarHBondContact O-CG 3.22Å; L14-L18 PolarHBondContact O-N 3.01Å; L18-T21 PolarHBondContact O-N 3.33Å; L18-F22 VanDerWaalsContact O-CB 3.31Å; L18-F22 WeakPolarHBondContact O-CB 3.46Å; L18-F22 PolarHBondContact O-N 3.26Å
19	C	89.3	Confident	90.8	Very high	60 Å²	60	73.7 Å²	73.7	41%	0.405	41%	0.412	S	S	.	.	H	α-helix	trans	-61.2	-46.5	175.4	-176	0	0	0	0	111.8	A15 F16 T21 F22 V23	A15-C19 VanDerWaalsContact O-CB 3.29Å; A15-C19 WeakPolarHBondContact O-CB 3.39Å; A15-C19 PolarHBondContact O-N 3.38Å; F16-C19 WeakPolarHBondContact O-CB 3.43Å; F16-C19 PolarHBondContact O-N 2.9Å; C19-T21 PolarHBondContact O-N 3.3Å; C19-F22 PolarHBondContact O-N 2.67Å; C19-V23 WeakPolarHBondContact O-CB 3.28Å; C19-V23 VanDerWaalsContact O-CG2 3.29Å; C19-V23 WeakPolarHBondContact O-CG2 3.28Å; C19-V23 PolarHBondContact O-N 2.91Å
20	C	91.6	Very high	91.4	Very high	22 Å²	22	72.7 Å²	72.7	15%	0.149	40%	0.398	C	S	.	.	H	α-helix	trans	-61.3	-44.5	177.3	-70	0	0	0	0	111.8	F16 G17 V23 H24 F41	F16-C20 WeakPolarHBondContact CE1-SG 3.49Å; F16-C20 WeakPolarHBondContact O-CB 3.42Å; F16-C20 PolarHBondContact O-N 3.36Å; F16-C20 PolarHBondContact O-SG 3.22Å; G17-C20 PolarHBondContact O-N 3.49Å; C20-V23 PolarHBondContact O-N 2.7Å; C20-H24 WeakPolarHBondContact O-CB 3.42Å; C20-H24 PolarHBondContact O-N 2.91Å; C20-F41 HydrophobicContact CB-CE1 3.78Å; C20-F41 HydrophobicContact CB-CZ 4.39Å
21	T	92.3	Very high	91.7	Very high	64 Å²	64	73.2 Å²	73.2	39%	0.393	39%	0.392	S	S	.	.	H	α-helix	trans	-63.5	-43.7	178.1	-55.7	0	0	0	0	111.1	G17 L18 C19 H24 R25	G17-T21 WeakPolarHBondContact O-CB 3.4Å; G17-T21 PolarHBondContact O-N 3.29Å; G17-T21 PolarHBondContact O-OG1 3.45Å; L18-T21 PolarHBondContact O-N 3.33Å; C19-T21 PolarHBondContact O-N 3.3Å; T21-H24 PolarHBondContact O-N 3.43Å; T21-R25 WeakPolarHBondContact O-CB 3.33Å; T21-R25 WeakPolarHBondContact O-CG 3.46Å; T21-R25 PolarHBondContact O-N 2.71Å
22	F	91.8	Very high	92	Very high	117 Å²	117	75.7 Å²	75.7	51%	0.513	39%	0.394	S	S	.	.	H	α-helix	trans	-61.1	-48.3	175.4	173.6	-104.3	0	0	0	111.8	L18 C19 H24 R25 A26 H81	L18-F22 VanDerWaalsContact O-CB 3.31Å; L18-F22 WeakPolarHBondContact O-CB 3.46Å; L18-F22 PolarHBondContact O-N 3.26Å; C19-F22 PolarHBondContact O-N 2.67Å; F22-H24 VanDerWaalsContact C-N 3.34Å; F22-H24 PolarHBondContact O-N 2.68Å; F22-R25 PolarHBondContact O-N 2.79Å; F22-A26 VanDerWaalsContact O-CB 3.28Å; F22-A26 WeakPolarHBondContact O-CB 3.47Å; F22-A26 PolarHBondContact O-N 3.23Å; F22-H81 HydrophobicContact CD1-CB 4.1Å; F22-H81 HydrophobicContact CE1-CB 3.54Å; F22-H81 AromaticContact CE1-CD2 3.81Å; F22-H81 AromaticContact CE1-CG 3.52Å; F22-H81 HydrophobicContact CZ-CB 4.34Å
23	V	90.7	Very high	92.3	Very high	7 Å²	7	71.4 Å²	71.4	4%	0.042	37%	0.368	C	S	.	.	H	α-helix	trans	-61.6	-42.7	177.5	170.8	0	0	0	0	111.2	C19 C20 R27 L42 H81	C19-V23 WeakPolarHBondContact O-CB 3.28Å; C19-V23 VanDerWaalsContact O-CG2 3.29Å; C19-V23 WeakPolarHBondContact O-CG2 3.28Å; C19-V23 PolarHBondContact O-N 2.91Å; C20-V23 PolarHBondContact O-N 2.7Å; V23-R27 VanDerWaalsContact CG1-CZ 3.48Å; V23-R27 WeakPolarHBondContact O-CB 3.26Å; V23-R27 VanDerWaalsContact O-CG 3.28Å; V23-R27 WeakPolarHBondContact O-CG 3.28Å; V23-R27 PolarHBondContact O-N 3.16Å; V23-L42 HydrophobicContact CG2-CD2 4.37Å; V23-H81 HydrophobicContact CG2-CB 4.21Å
24	H	91.9	Very high	92.7	Very high	91 Å²	91	67.8 Å²	67.8	42%	0.421	35%	0.352	S	S	.	.	H	α-helix	trans	-62.4	-52.4	177.2	179	69.6	0	0	0	111.3	C20 T21 F22 A26 R27 S28 F41	C20-H24 WeakPolarHBondContact O-CB 3.42Å; C20-H24 PolarHBondContact O-N 2.91Å; T21-H24 PolarHBondContact O-N 3.43Å; F22-H24 VanDerWaalsContact C-N 3.34Å; F22-H24 PolarHBondContact O-N 2.68Å; H24-A26 VanDerWaalsContact C-N 3.33Å; H24-A26 PolarHBondContact O-N 3.33Å; H24-R27 PolarHBondContact O-N 3.46Å; H24-R27 VanDerWaalsContact O-N 3.09Å; H24-S28 WeakPolarHBondContact O-CB 3.4Å; H24-S28 PolarHBondContact O-N 2.8Å; H24-F41 HydrophobicContact CB-CZ 4.15Å
25	R	91.7	Very high	92.8	Very high	181 Å²	181	63 Å²	63	68%	0.683	33%	0.332	S	S	*	.	H	α-helix	trans	-59.9	-40.7	178.3	-76.1	-176.8	176.2	164.9	-0.2	112.9	T21 F22 R27 S28	T21-R25 WeakPolarHBondContact O-CB 3.33Å; T21-R25 WeakPolarHBondContact O-CG 3.46Å; T21-R25 PolarHBondContact O-N 2.71Å; F22-R25 PolarHBondContact O-N 2.79Å; R25-R27 PolarHBondContact O-N 3.37Å; R25-S28 PolarHBondContact O-OG 3.24Å
26	A	90.8	Very high	92.9	Very high	27 Å²	27	60.9 Å²	60.9	22%	0.223	31%	0.312	C	S	.	.	H	α-helix	trans	-63.4	-31.1	177.9	0	0	0	0	0	112.4	F22 H24 Y30 H81	F22-A26 VanDerWaalsContact O-CB 3.28Å; F22-A26 WeakPolarHBondContact O-CB 3.47Å; F22-A26 PolarHBondContact O-N 3.23Å; H24-A26 VanDerWaalsContact C-N 3.33Å; H24-A26 PolarHBondContact O-N 3.33Å; A26-Y30 WeakPolarHBondContact O-CD2 3.42Å; A26-Y30 WeakPolarHBondContact O-CE2 3.28Å; A26-H81 HydrophobicContact CB-CB 4.21Å
27	R	92.3	Very high	93	Very high	1 Å²	1	60.3 Å²	60.3	0%	0.004	32%	0.32	C	S	.	.	H	α-helix	trans	-95.9	-28.8	-176	-69.4	175	177.5	176	7.5	114.3	V23 H24 R25 R29 Y30 F41 L42 G44 F80	V23-R27 VanDerWaalsContact CG1-CZ 3.48Å; V23-R27 WeakPolarHBondContact O-CB 3.26Å; V23-R27 VanDerWaalsContact O-CG 3.28Å; V23-R27 WeakPolarHBondContact O-CG 3.28Å; V23-R27 PolarHBondContact O-N 3.16Å; H24-R27 PolarHBondContact O-N 3.46Å; H24-R27 VanDerWaalsContact O-N 3.09Å; R25-R27 PolarHBondContact O-N 3.37Å; R27-R29 PolarHBondContact O-N 2.82Å; R27-Y30 PolarHBondContact O-N 2.81Å; R27-F41 PolarHBondContact NH1-O 2.83Å; R27-F41 PolarHBondContact NH2-O 3.48Å; R27-L42 PolarHBondContact NH2-O 3.32Å; R27-G44 VanDerWaalsContact NH2-N 3.17Å; R27-F80 PolarHBondContact NE-O 3.41Å; R27-F80 PolarHBondContact NH2-O 2.79Å
28	S	92.5	Very high	93	Very high	49 Å²	49	63 Å²	63	34%	0.343	32%	0.321	S	S	.	.	H	α-helix	trans	-57.2	-38	-175.9	61.4	0	0	0	0	112	H24 R25 Y30 E31	H24-S28 WeakPolarHBondContact O-CB 3.4Å; H24-S28 PolarHBondContact O-N 2.8Å; R25-S28 PolarHBondContact O-OG 3.24Å; S28-Y30 PolarHBondContact O-N 3.43Å; S28-E31 PolarHBondContact O-N 3.02Å
29	R	93.7	Very high	92.8	Very high	113 Å²	113	61.5 Å²	61.5	43%	0.426	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-9.4	175.3	73.9	179.2	-75.4	-163.6	1.1	115.2	R27 H32 P386 G387	R27-R29 PolarHBondContact O-N 2.82Å; R29-H32 PolarHBondContact O-CE1 3.47Å; R29-P386 WeakPolarHBondContact O-CG 3.49Å; R29-G387 PolarHBondContact NH2-O 2.89Å
30	Y	96.1	Very high	92.8	Very high	13 Å²	13	60 Å²	60	5%	0.051	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.2	1.7	-179.7	-59.7	-83.8	0	0	0	112.6	A26 R27 S28 H32 I33 R76 T83 P386 T389	A26-Y30 WeakPolarHBondContact O-CD2 3.42Å; A26-Y30 WeakPolarHBondContact O-CE2 3.28Å; R27-Y30 PolarHBondContact O-N 2.81Å; S28-Y30 PolarHBondContact O-N 3.43Å; Y30-H32 PolarHBondContact O-N 2.94Å; Y30-I33 HydrophobicContact CD1-CD1 3.84Å; Y30-I33 WeakPolarHBondContact O-CB 3.34Å; Y30-I33 PolarHBondContact O-N 3.15Å; Y30-R76 WeakPolarHBondContact O-CD 3.4Å; Y30-R76 PolarHBondContact O-NE 2.98Å; Y30-R76 PolarHBondContact O-NH1 3.4Å; Y30-R76 PolarHBondContact O-NH2 2.84Å; Y30-T83 HydrophobicContact CD1-CG2 3.87Å; Y30-T83 HydrophobicContact CD2-CG2 3.79Å; Y30-T83 WeakPolarHBondContact CD2-OG1 3.43Å; Y30-T83 HydrophobicContact CE1-CG2 4.19Å; Y30-T83 HydrophobicContact CE2-CG2 4.12Å; Y30-T83 HydrophobicContact CG-CG2 3.69Å; Y30-P386 HydrophobicContact CD1-CG 3.82Å; Y30-P386 HydrophobicContact CE1-CB 4.04Å; Y30-P386 HydrophobicContact CE1-CG 3.74Å; Y30-T389 HydrophobicContact CE1-CG2 4.02Å; Y30-T389 VanDerWaalsContact CE1-OG1 3.25Å; Y30-T389 WeakPolarHBondContact CE1-OG1 3.45Å; Y30-T389 PolarHBondContact OH-OG1 3.12Å
31	E	93.5	Very high	92.8	Very high	83 Å²	83	64 Å²	64	39%	0.388	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-26.5	-171.3	-74.9	-172.4	163.7	0	0	115.4	S28 I33 R38 R76	S28-E31 PolarHBondContact O-N 3.02Å; E31-I33 VanDerWaalsContact C-N 3.31Å; E31-I33 PolarHBondContact O-N 3.43Å; E31-R38 IonicContact OE1-CZ 2.74Å; E31-R38 IonicContact OE1-NH1 3.87Å; E31-R38 PolarHBondContact OE1-NH1 3.42Å; E31-R38 IonicContact OE1-NH2 2.75Å; E31-R38 PolarHBondContact OE1-NH2 3.32Å; E31-R76 PolarHBondContact O-NH2 3.42Å; E31-R76 VanDerWaalsContact O-NH2 3.08Å
32	H	95.4	Very high	92.5	Very high	109 Å²	109	63.3 Å²	63.3	51%	0.505	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-15.5	172.9	64.9	-71.2	0	0	0	114.4	R29 Y30 R384	R29-H32 PolarHBondContact O-CE1 3.47Å; Y30-H32 PolarHBondContact O-N 2.94Å; H32-R384 PolarHBondContact NE2-O 2.6Å
33	I	97.4	Very high	92.3	Very high	2 Å²	2	59.6 Å²	59.6	1%	0.01	30%	0.303	C	S	.	.	S	Bend	trans	-79.4	128.8	179.1	-55.9	-176.1	0	0	0	109.6	Y30 E31 V74 R76 V85 V383 V385	Y30-I33 HydrophobicContact CD1-CD1 3.84Å; Y30-I33 WeakPolarHBondContact O-CB 3.34Å; Y30-I33 PolarHBondContact O-N 3.15Å; E31-I33 VanDerWaalsContact C-N 3.31Å; E31-I33 PolarHBondContact O-N 3.43Å; I33-V74 HydrophobicContact CG2-CG1 4.35Å; I33-R76 HydrophobicContact CB-CB 4.11Å; I33-R76 HydrophobicContact CG2-CB 3.77Å; I33-R76 PolarHBondContact O-NE 3.13Å; I33-R76 PolarHBondContact O-NH2 3.14Å; I33-V85 HydrophobicContact CD1-CG2 4.12Å; I33-V383 HydrophobicContact CB-CG1 4.35Å; I33-V383 HydrophobicContact CG1-CG1 3.99Å; I33-V383 HydrophobicContact CG2-CG1 4.11Å; I33-V385 HydrophobicContact CD1-CG1 4.47Å; I33-V385 HydrophobicContact CD1-CG2 4.34Å
34	P	97	Very high	92.3	Very high	51 Å²	51	59.3 Å²	59.3	33%	0.331	30%	0.301	S	S	.	.			trans	-51.2	142.3	175.6	-27.4	35.3	0	0	0	112.6	Y71 V75 R76	P34-Y71 WeakPolarHBondContact CB-O 3.46Å; P34-V75 WeakPolarHBondContact O-CA 3.25Å; P34-R76 PolarHBondContact O-N 3.04Å
35	G	94.9	Very high	92.3	Very high	19 Å²	19	55 Å²	55	20%	0.196	28%	0.281	C	S	.	.			trans	176.9	166.3	-179.9	0	0	0	0	0	113.7	Y71	G35-Y71 WeakPolarHBondContact O-CE1 3.45Å
36	P	93.6	Very high	91.9	Very high	13 Å²	13	46.5 Å²	46.5	8%	0.084	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-64.5	154.6	176.3	33.6	-42.1	0	0	0	111.8	H45 W67 Y71	P36-H45 VanDerWaalsContact CG-CE1 3.49Å; P36-H45 WeakPolarHBondContact CG-CE1 3.46Å; P36-H45 PolarHBondContact O-NE2 3.15Å; P36-W67 HydrophobicContact CB-CD2 4.03Å; P36-W67 HydrophobicContact CB-CG 4.29Å; P36-W67 HydrophobicContact CB-CZ2 3.91Å; P36-W67 HydrophobicContact CG-CD2 3.52Å; P36-W67 HydrophobicContact CG-CE3 3.82Å; P36-W67 HydrophobicContact CG-CG 4.12Å; P36-W67 HydrophobicContact CG-CH2 3.88Å; P36-W67 HydrophobicContact CG-CZ2 3.56Å; P36-W67 HydrophobicContact CG-CZ3 4Å; P36-Y71 HydrophobicContact CB-CE2 3.89Å
37	P	92.4	Very high	91.7	Very high	104 Å²	104	47 Å²	47	68%	0.675	25%	0.25	S	C	*	.	P	Polyproline II helix	trans	-62.9	147.2	168.5	28.2	-33.9	0	0	0	110.6	P39	P37-P39 WeakPolarHBondContact O-CD 3.5Å
38	R	91.4	Very high	91.2	Very high	86 Å²	86	48.6 Å²	48.6	33%	0.325	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-83.7	116.8	179.5	-67	169.7	-72.6	-160.3	2.1	109.5	E31 S40 H45	E31-R38 IonicContact OE1-CZ 2.74Å; E31-R38 IonicContact OE1-NH1 3.87Å; E31-R38 PolarHBondContact OE1-NH1 3.42Å; E31-R38 IonicContact OE1-NH2 2.75Å; E31-R38 PolarHBondContact OE1-NH2 3.32Å; R38-S40 PolarHBondContact O-N 3.33Å; R38-H45 WeakPolarHBondContact CG-NE2 3.33Å
39	P	89.6	Confident	90.6	Very high	79 Å²	79	48.1 Å²	48.1	51%	0.513	25%	0.253	S	S	.	.	S	Bend	trans	-69.9	-18.9	176.7	30.1	-38.3	0	0	0	113	P37 G44 P47	P37-P39 WeakPolarHBondContact O-CD 3.5Å; P39-G44 VanDerWaalsContact CD-O 3.26Å; P39-G44 WeakPolarHBondContact CD-O 3.29Å; P39-G44 WeakPolarHBondContact CG-O 3.11Å; P39-P47 HydrophobicContact CG-CB 4.11Å; P39-P47 HydrophobicContact CG-CG 4.11Å
40	S	89.6	Confident	89.6	Confident	30 Å²	30	47.8 Å²	47.8	21%	0.21	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-136.9	133.5	177.7	175.3	0	0	0	0	110.9	R38 L42 L43 G44	R38-S40 PolarHBondContact O-N 3.33Å; S40-L42 PolarHBondContact OG-N 3Å; S40-L43 WeakPolarHBondContact OG-CB 3.41Å; S40-L43 PolarHBondContact OG-N 2.93Å; S40-L43 VanDerWaalsContact OG-N 3.1Å; S40-G44 WeakPolarHBondContact O-CA 3.4Å; S40-G44 PolarHBondContact O-N 3.36Å
41	F	89.6	Confident	88.1	Confident	104 Å²	104	55.9 Å²	55.9	46%	0.456	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-46.7	174.3	178.8	-96	0	0	0	111.7	C20 H24 R27	C20-F41 HydrophobicContact CB-CE1 3.78Å; C20-F41 HydrophobicContact CB-CZ 4.39Å; H24-F41 HydrophobicContact CB-CZ 4.15Å; R27-F41 PolarHBondContact NH1-O 2.83Å; R27-F41 PolarHBondContact NH2-O 3.48Å
42	L	86.9	Confident	86.4	Confident	51 Å²	51	59.2 Å²	59.2	27%	0.267	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-45.7	-179.5	-71.7	175.6	0	0	0	112.6	F16 V23 R27 S40 G44 F80	F16-L42 HydrophobicContact CE2-CD1 3.63Å; F16-L42 HydrophobicContact CZ-CD1 4.16Å; V23-L42 HydrophobicContact CG2-CD2 4.37Å; R27-L42 PolarHBondContact NH2-O 3.32Å; S40-L42 PolarHBondContact OG-N 3Å; L42-G44 VanDerWaalsContact C-N 3.35Å; L42-G44 PolarHBondContact O-N 3.03Å; L42-F80 WeakPolarHBondContact O-CA 3.29Å
43	L	87.1	Confident	84.8	Confident	39 Å²	39	57.2 Å²	57.2	20%	0.204	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-15.2	-171.4	-54.4	-179.9	0	0	0	113.1	S40 H45 L46 P47 W50 F80	S40-L43 WeakPolarHBondContact OG-CB 3.41Å; S40-L43 PolarHBondContact OG-N 2.93Å; S40-L43 VanDerWaalsContact OG-N 3.1Å; L43-H45 PolarHBondContact O-N 3.49Å; L43-L46 HydrophobicContact CB-CB 4.16Å; L43-L46 WeakPolarHBondContact O-CB 3.26Å; L43-L46 PolarHBondContact O-N 2.88Å; L43-P47 HydrophobicContact CB-CG 4.23Å; L43-P47 HydrophobicContact CD1-CG 4.27Å; L43-W50 HydrophobicContact CD1-CH2 3.85Å; L43-W50 HydrophobicContact CD1-CZ3 4.06Å; L43-F80 HydrophobicContact CD2-CD1 3.94Å; L43-F80 HydrophobicContact CD2-CE1 3.26Å; L43-F80 HydrophobicContact CD2-CZ 3.98Å; L43-F80 PolarHBondContact O-N 3.46Å
44	G	91.1	Very high	82.6	Confident	0 Å²	0	63 Å²	63	0%	0	32%	0.32	C	S	.	.	B	Isolated β-bridge	trans	67.6	-127.7	-176.4	0	0	0	0	0	110	R27 P39 S40 L42	R27-G44 VanDerWaalsContact NH2-N 3.17Å; P39-G44 VanDerWaalsContact CD-O 3.26Å; P39-G44 WeakPolarHBondContact CD-O 3.29Å; P39-G44 WeakPolarHBondContact CG-O 3.11Å; S40-G44 WeakPolarHBondContact O-CA 3.4Å; S40-G44 PolarHBondContact O-N 3.36Å; L42-G44 VanDerWaalsContact C-N 3.35Å; L42-G44 PolarHBondContact O-N 3.03Å
45	H	90.9	Very high	80.6	Confident	1 Å²	1	66.4 Å²	66.4	1%	0.005	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	1.1	178.5	-50.2	150.4	0	0	0	114.1	P36 R38 L43 P47 C48 F49 W67 N78	P36-H45 VanDerWaalsContact CG-CE1 3.49Å; P36-H45 WeakPolarHBondContact CG-CE1 3.46Å; P36-H45 PolarHBondContact O-NE2 3.15Å; R38-H45 WeakPolarHBondContact CG-NE2 3.33Å; L43-H45 PolarHBondContact O-N 3.49Å; H45-P47 VanDerWaalsContact C-N 3.29Å; H45-C48 WeakPolarHBondContact O-CA 3.14Å; H45-C48 WeakPolarHBondContact O-CB 3.27Å; H45-C48 PolarHBondContact O-N 2.95Å; H45-F49 HydrophobicContact CB-CE1 4.1Å; H45-F49 HydrophobicContact CB-CZ 3.93Å; H45-W67 HydrophobicContact CB-CH2 3.71Å; H45-W67 HydrophobicContact CB-CZ3 4.46Å; H45-W67 AromaticContact CG-CH2 3.78Å; H45-W67 AromaticContact ND1-CH2 3.75Å; H45-W67 AromaticContact ND1-CZ3 3.85Å; H45-N78 WeakPolarHBondContact CB-O 3.42Å; H45-N78 PolarHBondContact CE1-N 2.88Å; H45-N78 PolarHBondContact N-O 2.94Å; H45-N78 PolarHBondContact ND1-N 2.95Å
46	L	84.9	Confident	79.1	Confident	3 Å²	3	67.7 Å²	67.7	2%	0.016	35%	0.353	C	S	.	.	H	α-helix	trans	-53	-37.8	-179.5	-170.2	65.2	0	0	0	114.1	L43 C48 F49 W50 V79 F80	L43-L46 HydrophobicContact CB-CB 4.16Å; L43-L46 WeakPolarHBondContact O-CB 3.26Å; L43-L46 PolarHBondContact O-N 2.88Å; L46-C48 PolarHBondContact O-N 2.94Å; L46-F49 HydrophobicContact CD1-CD2 4.08Å; L46-F49 WeakPolarHBondContact O-CA 3.21Å; L46-F49 WeakPolarHBondContact O-CB 3.2Å; L46-F49 PolarHBondContact O-N 2.79Å; L46-W50 HydrophobicContact CD2-CH2 4.11Å; L46-W50 HydrophobicContact CD2-CZ2 3.42Å; L46-W50 VanDerWaalsContact CD2-CZ2 3.42Å; L46-W50 HydrophobicContact CG-CH2 4.44Å; L46-W50 HydrophobicContact CG-CZ2 3.67Å; L46-W50 PolarHBondContact O-N 3Å; L46-V79 HydrophobicContact CB-CG1 4.44Å; L46-V79 HydrophobicContact CD1-CG1 4.04Å; L46-F80 HydrophobicContact CD2-CE1 4.32Å; L46-F80 HydrophobicContact CD2-CE2 3.58Å; L46-F80 HydrophobicContact CD2-CZ 3.43Å; L46-F80 VanDerWaalsContact CD2-CZ 3.43Å
47	P	85.6	Confident	78.5	Confident	36 Å²	36	67.4 Å²	67.4	23%	0.234	35%	0.352	C	S	.	.	H	α-helix	trans	-61.2	-28.6	174.1	-24.7	36.1	0	0	0	114.2	P39 L43 H45 F49 W50	P39-P47 HydrophobicContact CG-CB 4.11Å; P39-P47 HydrophobicContact CG-CG 4.11Å; L43-P47 HydrophobicContact CB-CG 4.23Å; L43-P47 HydrophobicContact CD1-CG 4.27Å; H45-P47 VanDerWaalsContact C-N 3.29Å; P47-F49 PolarHBondContact O-N 3.27Å; P47-W50 PolarHBondContact O-N 3.28Å
48	C	82.8	Confident	78.3	Confident	36 Å²	36	67.5 Å²	67.5	24%	0.243	34%	0.339	C	S	.	.	H	α-helix	trans	-66.4	-24.4	173.2	-57.6	0	0	0	0	111.8	H45 L46 W67	H45-C48 WeakPolarHBondContact O-CA 3.14Å; H45-C48 WeakPolarHBondContact O-CB 3.27Å; H45-C48 PolarHBondContact O-N 2.95Å; L46-C48 PolarHBondContact O-N 2.94Å; C48-W67 HydrophobicContact CB-CH2 4.46Å; C48-W67 HydrophobicContact CB-CZ2 4.27Å
49	F	79.1	Confident	78.3	Confident	39 Å²	39	64.1 Å²	64.1	17%	0.171	33%	0.328	C	S	.	.	H	α-helix	trans	-90.3	-15.2	-176.8	-50.6	-17.5	0	0	0	112.2	H45 L46 P47 L60 F64 W67 V77 V79	H45-F49 HydrophobicContact CB-CE1 4.1Å; H45-F49 HydrophobicContact CB-CZ 3.93Å; L46-F49 HydrophobicContact CD1-CD2 4.08Å; L46-F49 WeakPolarHBondContact O-CA 3.21Å; L46-F49 WeakPolarHBondContact O-CB 3.2Å; L46-F49 PolarHBondContact O-N 2.79Å; P47-F49 PolarHBondContact O-N 3.27Å; F49-L60 HydrophobicContact CB-CD1 4.08Å; F49-L60 HydrophobicContact CD1-CD1 3.08Å; F49-L60 HydrophobicContact CD2-CD1 4.1Å; F49-L60 HydrophobicContact CE1-CD1 3.37Å; F49-L60 HydrophobicContact CE2-CD1 4.29Å; F49-L60 HydrophobicContact CG-CD1 3.51Å; F49-L60 HydrophobicContact CZ-CD1 3.98Å; F49-F64 HydrophobicContact CE1-CE1 4.13Å; F49-F64 HydrophobicContact CZ-CE1 4.05Å; F49-F64 HydrophobicContact CZ-CZ 4.44Å; F49-W67 AromaticContact CE1-CH2 3.69Å; F49-W67 HydrophobicContact CE1-CH2 3.69Å; F49-W67 HydrophobicContact CE1-CZ3 4.06Å; F49-W67 HydrophobicContact CZ-CH2 4.27Å; F49-W67 HydrophobicContact CZ-CZ3 4.36Å; F49-V77 HydrophobicContact CE2-CG1 4.44Å; F49-V77 HydrophobicContact CZ-CG1 3.7Å; F49-V79 HydrophobicContact CD2-CG2 4.16Å; F49-V79 HydrophobicContact CE2-CG2 3.39Å; F49-V79 HydrophobicContact CZ-CG2 4.28Å
50	W	73.1	Confident	78.4	Confident	105 Å²	105	61.4 Å²	61.4	40%	0.398	31%	0.309	S	S	.	.	H	α-helix	trans	-88	-15.9	176.1	-65.5	-16.7	0	0	0	113.6	L43 L46 P47 K52 N227 L229	L43-W50 HydrophobicContact CD1-CH2 3.85Å; L43-W50 HydrophobicContact CD1-CZ3 4.06Å; L46-W50 HydrophobicContact CD2-CH2 4.11Å; L46-W50 HydrophobicContact CD2-CZ2 3.42Å; L46-W50 VanDerWaalsContact CD2-CZ2 3.42Å; L46-W50 HydrophobicContact CG-CH2 4.44Å; L46-W50 HydrophobicContact CG-CZ2 3.67Å; L46-W50 PolarHBondContact O-N 3Å; P47-W50 PolarHBondContact O-N 3.28Å; W50-K52 PolarHBondContact O-N 2.9Å; W50-N227 PolarHBondContact NE1-OD1 3.24Å; W50-L229 HydrophobicContact CH2-CD1 3.65Å; W50-L229 HydrophobicContact CZ2-CD1 3.89Å
51	K	64.9	Low	78.6	Confident	183 Å²	183	60 Å²	60	80%	0.796	30%	0.299	S	S	*	.			trans	-69.1	79.6	168.9	-71.7	-170.8	177.3	-172.7	0	108.5	D53	K51-D53 PolarHBondContact O-N 3.41Å
52	K	57.4	Low	78.9	Confident	153 Å²	153	55.8 Å²	55.8	67%	0.665	28%	0.282	S	S	*	.			trans	-72.2	117.1	165.2	-72.3	-170.9	173.3	-168.9	0	107.2	W50 E54	W50-K52 PolarHBondContact O-N 2.9Å; K52-E54 HydrophobicContact CB-CG 3.74Å; K52-E54 HydrophobicContact CD-CG 4.15Å; K52-E54 VanDerWaalsContact CD-OE1 3.29Å; K52-E54 WeakPolarHBondContact CD-OE1 3.37Å; K52-E54 IonicContact NZ-OE1 3.26Å; K52-E54 PolarHBondContact O-N 2.84Å
53	D	60.9	Low	79.2	Confident	67 Å²	67	54.6 Å²	54.6	36%	0.358	28%	0.277	S	S	.	.	B	Isolated β-bridge	trans	-84.4	77.3	163.9	-173.3	5	0	0	0	107.7	K51 V55 G56 G57 R58	K51-D53 PolarHBondContact O-N 3.41Å; D53-V55 PolarHBondContact O-N 3.04Å; D53-V55 PolarHBondContact OD1-N 3.16Å; D53-G56 VanDerWaalsContact CG-N 3.32Å; D53-G56 PolarHBondContact O-N 3.04Å; D53-G56 PolarHBondContact OD1-N 3.18Å; D53-G56 WeakPolarHBondContact OD2-CA 3.21Å; D53-G57 WeakPolarHBondContact O-CA 3.3Å; D53-G57 PolarHBondContact O-N 3.36Å; D53-R58 HydrophobicContact CB-CB 4.06Å
54	E	52.8	Low	79.7	Confident	124 Å²	124	53.1 Å²	53.1	58%	0.579	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-14.5	179.6	-61.6	-168.1	161.9	0	0	112	K52 R467	K52-E54 HydrophobicContact CB-CG 3.74Å; K52-E54 HydrophobicContact CD-CG 4.15Å; K52-E54 VanDerWaalsContact CD-OE1 3.29Å; K52-E54 WeakPolarHBondContact CD-OE1 3.37Å; K52-E54 IonicContact NZ-OE1 3.26Å; K52-E54 PolarHBondContact O-N 2.84Å; E54-R467 PolarHBondContact O-NH1 2.98Å
55	V	54.9	Low	80	Confident	122 Å²	122	53.8 Å²	53.8	74%	0.739	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-50.2	177.2	-177.3	0	0	0	0	110.6	D53	D53-V55 PolarHBondContact O-N 3.04Å; D53-V55 PolarHBondContact OD1-N 3.16Å
56	G	63.5	Low	80.3	Confident	47 Å²	47	57.1 Å²	57.1	49%	0.485	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-12.9	-178	0	0	0	0	0	115.6	D53 R58	D53-G56 VanDerWaalsContact CG-N 3.32Å; D53-G56 PolarHBondContact O-N 3.04Å; D53-G56 PolarHBondContact OD1-N 3.18Å; D53-G56 WeakPolarHBondContact OD2-CA 3.21Å; G56-R58 PolarHBondContact O-N 3.11Å
57	G	80.6	Confident	80.9	Confident	6 Å²	6	58.2 Å²	58.2	6%	0.062	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.9	28.6	178	0	0	0	0	0	114.6	D53 L470	D53-G57 WeakPolarHBondContact O-CA 3.3Å; D53-G57 PolarHBondContact O-N 3.36Å; G57-L470 PolarHBondContact O-N 2.77Å; G57-L470 VanDerWaalsContact O-O 3.14Å
58	R	88.4	Confident	81.5	Confident	107 Å²	107	56.6 Å²	56.6	40%	0.404	28%	0.283	S	S	.	.	B	Isolated β-bridge	trans	-75.9	140.4	170.4	-73.7	-178.9	57.4	106.9	-1.8	111	D53 G56 D62 D66	D53-R58 HydrophobicContact CB-CB 4.06Å; G56-R58 PolarHBondContact O-N 3.11Å; R58-D62 WeakPolarHBondContact CA-OD2 3.27Å; R58-D66 IonicContact CZ-OD2 3.12Å; R58-D66 IonicContact NH1-OD2 3.71Å; R58-D66 IonicContact NH2-OD2 3.47Å; R58-D66 PolarHBondContact NH2-OD2 2.91Å
59	V	91	Very high	82.2	Confident	15 Å²	15	59.8 Å²	59.8	9%	0.091	29%	0.293	C	S	.	.			trans	-112.8	171.2	179.6	-65.8	0	0	0	0	111.3	Q61 D62 L470 L476	V59-Q61 VanDerWaalsContact CB-OE1 3.25Å; V59-Q61 HydrophobicContact CG2-CB 4.01Å; V59-Q61 PolarHBondContact O-N 2.93Å; V59-Q61 VanDerWaalsContact O-N 3.13Å; V59-D62 WeakPolarHBondContact CG2-OD2 3.35Å; V59-D62 PolarHBondContact N-OD2 3.43Å; V59-D62 WeakPolarHBondContact O-CB 3.22Å; V59-D62 PolarHBondContact O-N 2.88Å; V59-L470 HydrophobicContact CG1-CB 3.78Å; V59-L470 WeakPolarHBondContact CG1-O 3.39Å; V59-L476 HydrophobicContact CB-CD2 4.34Å; V59-L476 HydrophobicContact CG1-CD2 4.27Å; V59-L476 HydrophobicContact CG2-CD2 4.06Å
60	L	90.9	Very high	83.1	Confident	22 Å²	22	65.2 Å²	65.2	12%	0.115	32%	0.317	C	S	.	.	H	α-helix	trans	-54.3	-33.5	177.1	172	61.1	0	0	0	112.3	F49 D62 V63 F64	F49-L60 HydrophobicContact CB-CD1 4.08Å; F49-L60 HydrophobicContact CD1-CD1 3.08Å; F49-L60 HydrophobicContact CD2-CD1 4.1Å; F49-L60 HydrophobicContact CE1-CD1 3.37Å; F49-L60 HydrophobicContact CE2-CD1 4.29Å; F49-L60 HydrophobicContact CG-CD1 3.51Å; F49-L60 HydrophobicContact CZ-CD1 3.98Å; L60-D62 VanDerWaalsContact C-N 3.28Å; L60-D62 PolarHBondContact O-N 3.39Å; L60-V63 WeakPolarHBondContact O-CB 3.32Å; L60-V63 PolarHBondContact O-N 3.33Å; L60-V63 VanDerWaalsContact O-N 3.12Å; L60-F64 HydrophobicContact CD1-CE1 3.86Å; L60-F64 HydrophobicContact CD1-CE2 4.23Å; L60-F64 HydrophobicContact CD1-CZ 3.7Å; L60-F64 HydrophobicContact CD2-CE2 3.9Å; L60-F64 HydrophobicContact CD2-CZ 3.76Å; L60-F64 HydrophobicContact CG-CD2 4.32Å; L60-F64 HydrophobicContact CG-CE1 4.23Å; L60-F64 HydrophobicContact CG-CE2 3.68Å; L60-F64 HydrophobicContact CG-CZ 3.63Å; L60-F64 PolarHBondContact O-N 3.14Å
61	Q	94.8	Very high	84.3	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-68.2	-27.9	-177.5	-61.9	70	12.9	0	0	111.5	V59 V63 F64 L65 W368 Y396 E472	V59-Q61 VanDerWaalsContact CB-OE1 3.25Å; V59-Q61 HydrophobicContact CG2-CB 4.01Å; V59-Q61 PolarHBondContact O-N 2.93Å; V59-Q61 VanDerWaalsContact O-N 3.13Å; Q61-V63 VanDerWaalsContact C-N 3.35Å; Q61-F64 WeakPolarHBondContact O-CB 3.44Å; Q61-F64 PolarHBondContact O-N 3.33Å; Q61-L65 PolarHBondContact O-N 2.99Å; Q61-W368 HydrophobicContact CG-CB 4.08Å; Q61-W368 HydrophobicContact CG-CD2 3.72Å; Q61-W368 HydrophobicContact CG-CE3 3.79Å; Q61-W368 HydrophobicContact CG-CG 3.83Å; Q61-W368 HydrophobicContact CG-CZ3 4.49Å; Q61-Y396 HydrophobicContact CB-CD1 3.43Å; Q61-Y396 VanDerWaalsContact CB-CD1 3.43Å; Q61-Y396 HydrophobicContact CB-CE1 3.63Å; Q61-Y396 HydrophobicContact CB-CG 3.93Å; Q61-Y396 HydrophobicContact CG-CD1 4.45Å; Q61-E472 VanDerWaalsContact NE2-CD 3.34Å; Q61-E472 PolarHBondContact NE2-OE2 3.49Å
62	D	95.2	Very high	85.8	Confident	16 Å²	16	55.5 Å²	55.5	9%	0.086	28%	0.284	C	S	.	.	H	α-helix	trans	-67.1	-36.5	171	-66.4	-63.5	0	0	0	111.7	R58 V59 L60 F64 L65 D66 Y396	R58-D62 WeakPolarHBondContact CA-OD2 3.27Å; V59-D62 WeakPolarHBondContact CG2-OD2 3.35Å; V59-D62 PolarHBondContact N-OD2 3.43Å; V59-D62 WeakPolarHBondContact O-CB 3.22Å; V59-D62 PolarHBondContact O-N 2.88Å; L60-D62 VanDerWaalsContact C-N 3.28Å; L60-D62 PolarHBondContact O-N 3.39Å; D62-F64 VanDerWaalsContact C-N 3.3Å; D62-F64 PolarHBondContact O-N 3.42Å; D62-L65 WeakPolarHBondContact O-CB 3.35Å; D62-L65 PolarHBondContact O-N 3.42Å; D62-D66 VanDerWaalsContact O-CG 3.27Å; D62-D66 PolarHBondContact O-N 2.91Å; D62-Y396 PolarHBondContact OD1-OH 3.44Å
63	V	94	Very high	87.8	Confident	26 Å²	26	50.7 Å²	50.7	16%	0.158	27%	0.268	C	S	.	.	H	α-helix	trans	-65.2	-38.7	174.3	-179	0	0	0	0	110.5	L60 Q61 L65 D66 W67	L60-V63 WeakPolarHBondContact O-CB 3.32Å; L60-V63 PolarHBondContact O-N 3.33Å; L60-V63 VanDerWaalsContact O-N 3.12Å; Q61-V63 VanDerWaalsContact C-N 3.35Å; V63-L65 VanDerWaalsContact C-N 3.34Å; V63-D66 PolarHBondContact O-N 3.48Å; V63-W67 HydrophobicContact CG1-CD2 4.01Å; V63-W67 HydrophobicContact CG1-CE3 4.36Å; V63-W67 HydrophobicContact CG1-CH2 3.8Å; V63-W67 HydrophobicContact CG1-CZ2 3.42Å; V63-W67 VanDerWaalsContact CG1-CZ2 3.42Å; V63-W67 HydrophobicContact CG1-CZ3 4.26Å; V63-W67 VanDerWaalsContact O-CG 3.28Å; V63-W67 PolarHBondContact O-N 3.44Å; V63-W67 VanDerWaalsContact O-N 3.08Å
64	F	96.3	Very high	89.6	Confident	8 Å²	8	47.6 Å²	47.6	4%	0.035	25%	0.252	C	S	.	.	H	α-helix	trans	-66	-36.9	173.6	-63.9	-25	0	0	0	112.5	F49 L60 Q61 D62 W67 A68 V77 I86 W368 L392 V397	F49-F64 HydrophobicContact CE1-CE1 4.13Å; F49-F64 HydrophobicContact CZ-CE1 4.05Å; F49-F64 HydrophobicContact CZ-CZ 4.44Å; L60-F64 HydrophobicContact CD1-CE1 3.86Å; L60-F64 HydrophobicContact CD1-CE2 4.23Å; L60-F64 HydrophobicContact CD1-CZ 3.7Å; L60-F64 HydrophobicContact CD2-CE2 3.9Å; L60-F64 HydrophobicContact CD2-CZ 3.76Å; L60-F64 HydrophobicContact CG-CD2 4.32Å; L60-F64 HydrophobicContact CG-CE1 4.23Å; L60-F64 HydrophobicContact CG-CE2 3.68Å; L60-F64 HydrophobicContact CG-CZ 3.63Å; L60-F64 PolarHBondContact O-N 3.14Å; Q61-F64 WeakPolarHBondContact O-CB 3.44Å; Q61-F64 PolarHBondContact O-N 3.33Å; D62-F64 VanDerWaalsContact C-N 3.3Å; D62-F64 PolarHBondContact O-N 3.42Å; F64-W67 HydrophobicContact CD1-CE3 4.06Å; F64-W67 HydrophobicContact CD1-CZ3 4.09Å; F64-W67 HydrophobicContact CE1-CZ3 4.11Å; F64-W67 PolarHBondContact O-N 3.04Å; F64-A68 WeakPolarHBondContact O-CB 3.38Å; F64-A68 PolarHBondContact O-N 2.67Å; F64-V77 HydrophobicContact CD1-CG2 4.43Å; F64-V77 HydrophobicContact CE1-CG1 4.11Å; F64-V77 HydrophobicContact CE1-CG2 4.18Å; F64-I86 HydrophobicContact CB-CD1 3.88Å; F64-I86 HydrophobicContact CG-CD1 4.45Å; F64-W368 HydrophobicContact CE2-CZ3 4.39Å; F64-L392 HydrophobicContact CD2-CD2 4.08Å; F64-L392 HydrophobicContact CE2-CD2 3.93Å; F64-V397 HydrophobicContact CB-CG2 3.88Å
65	L	97.9	Very high	91.8	Very high	14 Å²	14	41.7 Å²	41.7	7%	0.073	22%	0.224	C	C	.	.	H	α-helix	trans	-60.5	-51.3	172.8	173.4	63.8	0	0	0	111	Q61 D62 V63 W67 A68 K69 V397 R400 M401	Q61-L65 PolarHBondContact O-N 2.99Å; D62-L65 WeakPolarHBondContact O-CB 3.35Å; D62-L65 PolarHBondContact O-N 3.42Å; V63-L65 VanDerWaalsContact C-N 3.34Å; L65-W67 VanDerWaalsContact C-N 3.25Å; L65-W67 PolarHBondContact O-N 2.63Å; L65-A68 PolarHBondContact O-N 2.7Å; L65-K69 HydrophobicContact CD1-CD 4.1Å; L65-K69 HydrophobicContact CD1-CG 4.11Å; L65-K69 HydrophobicContact CG-CD 4.35Å; L65-K69 WeakPolarHBondContact O-CG 3.41Å; L65-K69 PolarHBondContact O-N 3.5Å; L65-V397 HydrophobicContact CB-CG1 4.48Å; L65-V397 HydrophobicContact CB-CG2 4.37Å; L65-V397 HydrophobicContact CD1-CG1 4.15Å; L65-R400 HydrophobicContact CD1-CB 4.04Å; L65-R400 HydrophobicContact CD2-CB 3.67Å; L65-M401 HydrophobicContact CD1-CG 3.8Å
66	D	96.8	Very high	93.8	Very high	71 Å²	71	37 Å²	37	38%	0.38	19%	0.193	S	C	.	.	H	α-helix	trans	-57.3	-41.5	179.1	-64.4	-25.1	0	0	0	111.6	R58 D62 V63 K70	R58-D66 IonicContact CZ-OD2 3.12Å; R58-D66 IonicContact NH1-OD2 3.71Å; R58-D66 IonicContact NH2-OD2 3.47Å; R58-D66 PolarHBondContact NH2-OD2 2.91Å; D62-D66 VanDerWaalsContact O-CG 3.27Å; D62-D66 PolarHBondContact O-N 2.91Å; V63-D66 PolarHBondContact O-N 3.48Å; D66-K70 VanDerWaalsContact O-CB 3.29Å; D66-K70 WeakPolarHBondContact O-CB 3.28Å; D66-K70 PolarHBondContact O-N 2.82Å
67	W	97.4	Very high	95.3	Very high	26 Å²	26	35 Å²	35	10%	0.098	17%	0.172	C	C	.	.	H	α-helix	trans	-71.1	-39.4	178.7	-68	-8.7	0	0	0	113.2	P36 H45 C48 F49 V63 F64 L65 K70 Y71 V75 V77	P36-W67 HydrophobicContact CB-CD2 4.03Å; P36-W67 HydrophobicContact CB-CG 4.29Å; P36-W67 HydrophobicContact CB-CZ2 3.91Å; P36-W67 HydrophobicContact CG-CD2 3.52Å; P36-W67 HydrophobicContact CG-CE3 3.82Å; P36-W67 HydrophobicContact CG-CG 4.12Å; P36-W67 HydrophobicContact CG-CH2 3.88Å; P36-W67 HydrophobicContact CG-CZ2 3.56Å; P36-W67 HydrophobicContact CG-CZ3 4Å; H45-W67 HydrophobicContact CB-CH2 3.71Å; H45-W67 HydrophobicContact CB-CZ3 4.46Å; H45-W67 AromaticContact CG-CH2 3.78Å; H45-W67 AromaticContact ND1-CH2 3.75Å; H45-W67 AromaticContact ND1-CZ3 3.85Å; C48-W67 HydrophobicContact CB-CH2 4.46Å; C48-W67 HydrophobicContact CB-CZ2 4.27Å; F49-W67 AromaticContact CE1-CH2 3.69Å; F49-W67 HydrophobicContact CE1-CH2 3.69Å; F49-W67 HydrophobicContact CE1-CZ3 4.06Å; F49-W67 HydrophobicContact CZ-CH2 4.27Å; F49-W67 HydrophobicContact CZ-CZ3 4.36Å; V63-W67 HydrophobicContact CG1-CD2 4.01Å; V63-W67 HydrophobicContact CG1-CE3 4.36Å; V63-W67 HydrophobicContact CG1-CH2 3.8Å; V63-W67 HydrophobicContact CG1-CZ2 3.42Å; V63-W67 VanDerWaalsContact CG1-CZ2 3.42Å; V63-W67 HydrophobicContact CG1-CZ3 4.26Å; V63-W67 VanDerWaalsContact O-CG 3.28Å; V63-W67 PolarHBondContact O-N 3.44Å; V63-W67 VanDerWaalsContact O-N 3.08Å; F64-W67 HydrophobicContact CD1-CE3 4.06Å; F64-W67 HydrophobicContact CD1-CZ3 4.09Å; F64-W67 HydrophobicContact CE1-CZ3 4.11Å; F64-W67 PolarHBondContact O-N 3.04Å; L65-W67 VanDerWaalsContact C-N 3.25Å; L65-W67 PolarHBondContact O-N 2.63Å; W67-K70 PolarHBondContact O-N 3.05Å; W67-Y71 HydrophobicContact CB-CD2 4.08Å; W67-Y71 HydrophobicContact CG-CD2 4.38Å; W67-Y71 HydrophobicContact CG-CE2 4.4Å; W67-Y71 WeakPolarHBondContact O-CB 3.39Å; W67-Y71 WeakPolarHBondContact O-CD2 3.16Å; W67-Y71 PolarHBondContact O-N 3.06Å; W67-V75 HydrophobicContact CB-CG1 4.23Å; W67-V77 HydrophobicContact CE3-CG2 3.93Å; W67-V77 HydrophobicContact CZ3-CB 4.45Å; W67-V77 HydrophobicContact CZ3-CG1 4Å; W67-V77 HydrophobicContact CZ3-CG2 3.81Å
68	A	98.3	Very high	95.7	Very high	2 Å²	2	34.8 Å²	34.8	2%	0.017	17%	0.169	C	C	.	.	H	α-helix	trans	-62.1	-45.1	174.4	0	0	0	0	0	111	F64 L65 K70 G72 T88 V397 M401	F64-A68 WeakPolarHBondContact O-CB 3.38Å; F64-A68 PolarHBondContact O-N 2.67Å; L65-A68 PolarHBondContact O-N 2.7Å; A68-K70 VanDerWaalsContact C-N 3.31Å; A68-K70 PolarHBondContact O-N 3.31Å; A68-G72 WeakPolarHBondContact O-CA 3.25Å; A68-G72 PolarHBondContact O-N 3.13Å; A68-T88 HydrophobicContact CB-CG2 4.04Å; A68-V397 HydrophobicContact CB-CG1 3.73Å; A68-M401 HydrophobicContact CB-SD 4.39Å
69	K	98.1	Very high	95.4	Very high	102 Å²	102	31.6 Å²	31.6	44%	0.443	16%	0.161	S	C	.	.	H	α-helix	trans	-61.6	-38.4	176.7	-67.8	-170.8	76.3	158.8	0	112.4	L65 M401 D402	L65-K69 HydrophobicContact CD1-CD 4.1Å; L65-K69 HydrophobicContact CD1-CG 4.11Å; L65-K69 HydrophobicContact CG-CD 4.35Å; L65-K69 WeakPolarHBondContact O-CG 3.41Å; L65-K69 PolarHBondContact O-N 3.5Å; K69-M401 HydrophobicContact CG-CG 4.4Å; K69-D402 IonicContact NZ-OD1 2.8Å; K69-D402 IonicContact NZ-OD2 3.65Å; K69-D402 PolarHBondContact NZ-OD2 3.35Å
70	K	98.2	Very high	94.9	Very high	154 Å²	154	32.8 Å²	32.8	67%	0.67	17%	0.165	S	C	*	.	H	α-helix	trans	-84.6	-38.7	-175.4	-175.5	171.5	-179.4	176.9	0	114.4	D66 W67 A68	D66-K70 VanDerWaalsContact O-CB 3.29Å; D66-K70 WeakPolarHBondContact O-CB 3.28Å; D66-K70 PolarHBondContact O-N 2.82Å; W67-K70 PolarHBondContact O-N 3.05Å; A68-K70 VanDerWaalsContact C-N 3.31Å; A68-K70 PolarHBondContact O-N 3.31Å
71	Y	98.1	Very high	94.4	Very high	56 Å²	56	35.5 Å²	35.5	22%	0.22	18%	0.177	C	C	.	.	H	α-helix	trans	-109.6	-1.3	-169	-60.4	-70.1	0	0	0	113.7	P34 G35 P36 W67 V75	P34-Y71 WeakPolarHBondContact CB-O 3.46Å; G35-Y71 WeakPolarHBondContact O-CE1 3.45Å; P36-Y71 HydrophobicContact CB-CE2 3.89Å; W67-Y71 HydrophobicContact CB-CD2 4.08Å; W67-Y71 HydrophobicContact CG-CD2 4.38Å; W67-Y71 HydrophobicContact CG-CE2 4.4Å; W67-Y71 WeakPolarHBondContact O-CB 3.39Å; W67-Y71 WeakPolarHBondContact O-CD2 3.16Å; W67-Y71 PolarHBondContact O-N 3.06Å; Y71-V75 HydrophobicContact CD2-CG1 4.21Å; Y71-V75 HydrophobicContact CG-CG1 4.32Å
72	G	97.7	Very high	94	Very high	27 Å²	27	40.9 Å²	40.9	28%	0.278	20%	0.2	S	C	.	.			trans	92.5	-165.9	173.8	0	0	0	0	0	114.1	A68 V74 V75	A68-G72 WeakPolarHBondContact O-CA 3.25Å; A68-G72 PolarHBondContact O-N 3.13Å; G72-V74 VanDerWaalsContact C-N 3.31Å; G72-V74 PolarHBondContact O-N 3.33Å; G72-V75 WeakPolarHBondContact O-CG2 3.5Å
73	P	98.1	Very high	94	Very high	52 Å²	52	40.6 Å²	40.6	34%	0.338	20%	0.199	S	C	.	.	S	Bend	trans	-74.7	-15.8	-166.3	27.5	-34.8	0	0	0	115	I87 T88 D381	P73-I87 CarbonylContact O-C 3.55Å; P73-I87 WeakPolarHBondContact O-CA 3.48Å; P73-T88 WeakPolarHBondContact CA-OG1 3.35Å; P73-T88 PolarHBondContact O-N 2.65Å; P73-T88 PolarHBondContact O-OG1 3.32Å; P73-D381 HydrophobicContact CG-CB 4.02Å
74	V	98.7	Very high	94.1	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.012	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	98.8	-177.1	-177.3	0	0	0	0	108.8	I33 G72 V85 I87 I380 D381 V383 V385	I33-V74 HydrophobicContact CG2-CG1 4.35Å; G72-V74 VanDerWaalsContact C-N 3.31Å; G72-V74 PolarHBondContact O-N 3.33Å; V74-V85 HydrophobicContact CG1-CG1 3.49Å; V74-V85 VanDerWaalsContact CG1-CG1 3.49Å; V74-I87 HydrophobicContact CB-CD1 4.36Å; V74-I87 HydrophobicContact CG1-CD1 3.96Å; V74-I87 HydrophobicContact CG2-CD1 4.02Å; V74-I380 HydrophobicContact CG2-CB 4.36Å; V74-I380 HydrophobicContact CG2-CG2 3.91Å; V74-D381 HydrophobicContact CG2-CB 3.87Å; V74-V383 HydrophobicContact CB-CB 4.22Å; V74-V383 HydrophobicContact CB-CG2 4.17Å; V74-V383 HydrophobicContact CG1-CB 4Å; V74-V383 HydrophobicContact CG1-CG1 4Å; V74-V383 HydrophobicContact CG1-CG2 4.44Å; V74-V385 HydrophobicContact CG1-CG2 3.93Å
75	V	98.6	Very high	94.2	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	132.4	-173	-164.6	0	0	0	0	111.6	P34 W67 Y71 G72 V85 I86	P34-V75 WeakPolarHBondContact O-CA 3.25Å; W67-V75 HydrophobicContact CB-CG1 4.23Å; Y71-V75 HydrophobicContact CD2-CG1 4.21Å; Y71-V75 HydrophobicContact CG-CG1 4.32Å; G72-V75 WeakPolarHBondContact O-CG2 3.5Å; V75-V85 CarbonylContact O-C 3.55Å; V75-V85 VanDerWaalsContact O-CA 3.28Å; V75-V85 WeakPolarHBondContact O-CA 3.23Å; V75-I86 HydrophobicContact CB-CG2 3.52Å; V75-I86 HydrophobicContact CG1-CG2 4.49Å; V75-I86 HydrophobicContact CG2-CG2 4.22Å; V75-I86 PolarHBondContact N-O 3.49Å; V75-I86 VanDerWaalsContact O-CG2 3.26Å; V75-I86 WeakPolarHBondContact O-CG2 3.39Å; V75-I86 PolarHBondContact O-N 2.99Å
76	R	97.7	Very high	94.2	Very high	25 Å²	25	39.3 Å²	39.3	9%	0.094	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	138.9	177.9	173.3	172.7	53.7	159.2	-14.5	112.5	Y30 E31 I33 P34 T83	Y30-R76 WeakPolarHBondContact O-CD 3.4Å; Y30-R76 PolarHBondContact O-NE 2.98Å; Y30-R76 PolarHBondContact O-NH1 3.4Å; Y30-R76 PolarHBondContact O-NH2 2.84Å; E31-R76 PolarHBondContact O-NH2 3.42Å; E31-R76 VanDerWaalsContact O-NH2 3.08Å; I33-R76 HydrophobicContact CB-CB 4.11Å; I33-R76 HydrophobicContact CG2-CB 3.77Å; I33-R76 PolarHBondContact O-NE 3.13Å; I33-R76 PolarHBondContact O-NH2 3.14Å; P34-R76 PolarHBondContact O-N 3.04Å; R76-T83 HydrophobicContact CG-CG2 3.64Å
77	V	94.3	Very high	94.3	Very high	5 Å²	5	35.9 Å²	35.9	3%	0.03	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	132.8	173.1	-177.9	0	0	0	0	110.3	F49 F64 W67 T83 S84 I86	F49-V77 HydrophobicContact CE2-CG1 4.44Å; F49-V77 HydrophobicContact CZ-CG1 3.7Å; F64-V77 HydrophobicContact CD1-CG2 4.43Å; F64-V77 HydrophobicContact CE1-CG1 4.11Å; F64-V77 HydrophobicContact CE1-CG2 4.18Å; W67-V77 HydrophobicContact CE3-CG2 3.93Å; W67-V77 HydrophobicContact CZ3-CB 4.45Å; W67-V77 HydrophobicContact CZ3-CG1 4Å; W67-V77 HydrophobicContact CZ3-CG2 3.81Å; V77-T83 WeakPolarHBondContact O-CA 3.34Å; V77-S84 PolarHBondContact N-O 3.37Å; V77-S84 PolarHBondContact O-N 3.47Å; V77-I86 HydrophobicContact CG2-CG2 4.39Å
78	N	90.4	Very high	94.4	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	130.4	-177.6	-64.5	-59.4	0	0	0	111.4	H45 T83	H45-N78 WeakPolarHBondContact CB-O 3.42Å; H45-N78 PolarHBondContact CE1-N 2.88Å; H45-N78 PolarHBondContact N-O 2.94Å; H45-N78 PolarHBondContact ND1-N 2.95Å; N78-T83 PolarHBondContact OD1-OG1 2.71Å; N78-T83 VanDerWaalsContact OD1-OG1 3.13Å
79	V	81.7	Confident	94.4	Very high	39 Å²	39	34.9 Å²	34.9	24%	0.236	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	111.9	168.3	179.7	0	0	0	0	108.3	L46 F49 H81 K82	L46-V79 HydrophobicContact CB-CG1 4.44Å; L46-V79 HydrophobicContact CD1-CG1 4.04Å; F49-V79 HydrophobicContact CD2-CG2 4.16Å; F49-V79 HydrophobicContact CE2-CG2 3.39Å; F49-V79 HydrophobicContact CZ-CG2 4.28Å; V79-H81 PolarHBondContact O-N 3.39Å; V79-K82 PolarHBondContact N-O 3.05Å; V79-K82 WeakPolarHBondContact O-CB 3.2Å; V79-K82 PolarHBondContact O-N 2.94Å
80	F	80.3	Confident	94.4	Very high	41 Å²	41	30.8 Å²	30.8	18%	0.18	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.7	-137.1	-166.9	-54.6	-78.2	0	0	0	111.4	R27 L42 L43 L46 K82 T228 L229	R27-F80 PolarHBondContact NE-O 3.41Å; R27-F80 PolarHBondContact NH2-O 2.79Å; L42-F80 WeakPolarHBondContact O-CA 3.29Å; L43-F80 HydrophobicContact CD2-CD1 3.94Å; L43-F80 HydrophobicContact CD2-CE1 3.26Å; L43-F80 HydrophobicContact CD2-CZ 3.98Å; L43-F80 PolarHBondContact O-N 3.46Å; L46-F80 HydrophobicContact CD2-CE1 4.32Å; L46-F80 HydrophobicContact CD2-CE2 3.58Å; L46-F80 HydrophobicContact CD2-CZ 3.43Å; L46-F80 VanDerWaalsContact CD2-CZ 3.43Å; F80-K82 PolarHBondContact O-N 2.88Å; F80-T228 HydrophobicContact CD2-CG2 4.45Å; F80-T228 HydrophobicContact CE2-CG2 3.93Å; F80-T228 WeakPolarHBondContact CE2-OG1 3.48Å; F80-T228 WeakPolarHBondContact CZ-OG1 3.44Å; F80-L229 HydrophobicContact CZ-CG 4.45Å
81	H	79.8	Confident	94.4	Very high	78 Å²	78	29.3 Å²	29.3	36%	0.361	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-4.7	176.6	63.4	-85.7	0	0	0	113.7	F22 V23 A26 V79	F22-H81 HydrophobicContact CD1-CB 4.1Å; F22-H81 HydrophobicContact CE1-CB 3.54Å; F22-H81 AromaticContact CE1-CD2 3.81Å; F22-H81 AromaticContact CE1-CG 3.52Å; F22-H81 HydrophobicContact CZ-CB 4.34Å; V23-H81 HydrophobicContact CG2-CB 4.21Å; A26-H81 HydrophobicContact CB-CB 4.21Å; V79-H81 PolarHBondContact O-N 3.39Å
82	K	87.3	Confident	94.5	Very high	113 Å²	113	27 Å²	27	49%	0.491	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	130.7	-177.5	-59.8	-173.4	179.4	-177.2	0	110.4	V79 F80	V79-K82 PolarHBondContact N-O 3.05Å; V79-K82 WeakPolarHBondContact O-CB 3.2Å; V79-K82 PolarHBondContact O-N 2.94Å; F80-K82 PolarHBondContact O-N 2.88Å
83	T	94	Very high	94.5	Very high	11 Å²	11	25.7 Å²	25.7	7%	0.067	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	135.3	175.1	-51.3	0	0	0	0	108.9	Y30 R76 V77 N78 P390	Y30-T83 HydrophobicContact CD1-CG2 3.87Å; Y30-T83 HydrophobicContact CD2-CG2 3.79Å; Y30-T83 WeakPolarHBondContact CD2-OG1 3.43Å; Y30-T83 HydrophobicContact CE1-CG2 4.19Å; Y30-T83 HydrophobicContact CE2-CG2 4.12Å; Y30-T83 HydrophobicContact CG-CG2 3.69Å; R76-T83 HydrophobicContact CG-CG2 3.64Å; V77-T83 WeakPolarHBondContact O-CA 3.34Å; N78-T83 PolarHBondContact OD1-OG1 2.71Å; N78-T83 VanDerWaalsContact OD1-OG1 3.13Å; T83-P390 VanDerWaalsContact O-CD 3.32Å; T83-P390 WeakPolarHBondContact O-CD 3.45Å
84	S	96.2	Very high	94.6	Very high	20 Å²	20	28 Å²	28	14%	0.14	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	162.6	166.5	59.8	0	0	0	0	109.4	V77 P390	V77-S84 PolarHBondContact N-O 3.37Å; V77-S84 PolarHBondContact O-N 3.47Å; S84-P390 WeakPolarHBondContact CA-O 3.37Å; S84-P390 WeakPolarHBondContact CB-O 3.31Å
85	V	98.5	Very high	94.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	123.1	178	-178.6	0	0	0	0	108.9	I33 V74 V75 I87 V385 T389 P390 L391 L392	I33-V85 HydrophobicContact CD1-CG2 4.12Å; V74-V85 HydrophobicContact CG1-CG1 3.49Å; V74-V85 VanDerWaalsContact CG1-CG1 3.49Å; V75-V85 CarbonylContact O-C 3.55Å; V75-V85 VanDerWaalsContact O-CA 3.28Å; V75-V85 WeakPolarHBondContact O-CA 3.23Å; V85-I87 HydrophobicContact CG1-CD1 3.67Å; V85-V385 HydrophobicContact CG2-CG1 4.1Å; V85-T389 HydrophobicContact CB-CG2 4.41Å; V85-T389 HydrophobicContact CG2-CG2 3.79Å; V85-P390 PolarHBondContact N-O 3.3Å; V85-L391 HydrophobicContact CB-CD2 4.24Å; V85-L391 CarbonylContact O-C 3.58Å; V85-L391 WeakPolarHBondContact O-CA 3.47Å; V85-L392 PolarHBondContact O-N 3.43Å
86	I	98.4	Very high	94.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	132.4	170	176.3	165.9	0	0	0	109	F64 V75 V77 T88 L392 V397	F64-I86 HydrophobicContact CB-CD1 3.88Å; F64-I86 HydrophobicContact CG-CD1 4.45Å; V75-I86 HydrophobicContact CB-CG2 3.52Å; V75-I86 HydrophobicContact CG1-CG2 4.49Å; V75-I86 HydrophobicContact CG2-CG2 4.22Å; V75-I86 PolarHBondContact N-O 3.49Å; V75-I86 VanDerWaalsContact O-CG2 3.26Å; V75-I86 WeakPolarHBondContact O-CG2 3.39Å; V75-I86 PolarHBondContact O-N 2.99Å; V77-I86 HydrophobicContact CG2-CG2 4.39Å; I86-T88 HydrophobicContact CD1-CG2 4.08Å; I86-T88 HydrophobicContact CG1-CG2 3.86Å; I86-L392 WeakPolarHBondContact CA-O 3.35Å; I86-L392 HydrophobicContact CB-CB 4.35Å; I86-L392 HydrophobicContact CB-CD2 4.31Å; I86-L392 HydrophobicContact CB-CG 4.49Å; I86-L392 HydrophobicContact CD1-CD2 4.33Å; I86-L392 HydrophobicContact CG1-CD2 4.44Å; I86-L392 HydrophobicContact CG1-CG 4.43Å; I86-V397 HydrophobicContact CD1-CG1 4.41Å; I86-V397 HydrophobicContact CD1-CG2 4.06Å
87	I	98.8	Very high	94.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	123.6	-177.7	-55.6	-60.1	0	0	0	108.4	P73 V74 V85 I380 L391 L392 F393	P73-I87 CarbonylContact O-C 3.55Å; P73-I87 WeakPolarHBondContact O-CA 3.48Å; V74-I87 HydrophobicContact CB-CD1 4.36Å; V74-I87 HydrophobicContact CG1-CD1 3.96Å; V74-I87 HydrophobicContact CG2-CD1 4.02Å; V85-I87 HydrophobicContact CG1-CD1 3.67Å; I87-I380 HydrophobicContact CD1-CD1 4.47Å; I87-I380 HydrophobicContact CD1-CG2 4.07Å; I87-L391 HydrophobicContact CD1-CD2 4.31Å; I87-L391 HydrophobicContact CG1-CB 4.18Å; I87-L391 HydrophobicContact CG1-CD2 4.15Å; I87-L392 PolarHBondContact N-O 3.23Å; I87-F393 HydrophobicContact CB-CD1 4.02Å; I87-F393 HydrophobicContact CB-CE1 3.71Å; I87-F393 HydrophobicContact CB-CZ 4.32Å; I87-F393 HydrophobicContact CG1-CE1 4.3Å; I87-F393 HydrophobicContact CG1-CZ 4.44Å; I87-F393 HydrophobicContact CG2-CD1 4.19Å; I87-F393 HydrophobicContact CG2-CE1 3.66Å; I87-F393 HydrophobicContact CG2-CZ 4.48Å
88	T	98.7	Very high	94.8	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.17	C	C	.	.			trans	-132.1	11.4	-174.2	56.1	0	0	0	0	114.4	A68 P73 I86 V397 M398 Y404	A68-T88 HydrophobicContact CB-CG2 4.04Å; P73-T88 WeakPolarHBondContact CA-OG1 3.35Å; P73-T88 PolarHBondContact O-N 2.65Å; P73-T88 PolarHBondContact O-OG1 3.32Å; I86-T88 HydrophobicContact CD1-CG2 4.08Å; I86-T88 HydrophobicContact CG1-CG2 3.86Å; T88-V397 HydrophobicContact CG2-CG1 3.81Å; T88-M398 HydrophobicContact CG2-CG 4.27Å; T88-M398 WeakPolarHBondContact O-CE 3.15Å; T88-Y404 VanDerWaalsContact O-CE2 3.29Å; T88-Y404 WeakPolarHBondContact O-CE2 3.34Å; T88-Y404 VanDerWaalsContact O-CZ 3.25Å; T88-Y404 PolarHBondContact O-OH 3.02Å
89	S	98.7	Very high	95.2	Very high	6 Å²	6	37.1 Å²	37.1	4%	0.042	18%	0.182	C	C	.	.			trans	-84.5	139.5	168.2	72.5	0	0	0	0	111.9	E91 S92 V93 D381	S89-E91 VanDerWaalsContact C-N 3.27Å; S89-E91 PolarHBondContact O-N 2.9Å; S89-S92 PolarHBondContact O-N 3.11Å; S89-S92 WeakPolarHBondContact OG-CB 3.48Å; S89-S92 PolarHBondContact OG-N 3.46Å; S89-S92 PolarHBondContact OG-OG 2.93Å; S89-S92 VanDerWaalsContact OG-OG 3.08Å; S89-V93 WeakPolarHBondContact O-CG2 3.2Å; S89-V93 PolarHBondContact O-N 3.06Å; S89-D381 VanDerWaalsContact CB-OD1 3.31Å; S89-D381 WeakPolarHBondContact CB-OD1 2.92Å; S89-D381 PolarHBondContact OG-OD1 2.67Å; S89-D381 PolarHBondContact OG-OD2 3.5Å
90	P	98.8	Very high	96	Very high	17 Å²	17	38.7 Å²	38.7	11%	0.11	19%	0.191	C	C	.	.	H	α-helix	trans	-58.6	-35.7	177.7	-26.3	36.2	0	0	0	113.8	V93 K94 M398 Y404 F425 T426	P90-V93 PolarHBondContact O-N 3.46Å; P90-K94 WeakPolarHBondContact O-CB 3.46Å; P90-K94 PolarHBondContact O-N 3.46Å; P90-M398 HydrophobicContact CG-CE 4.25Å; P90-Y404 HydrophobicContact CG-CD1 4.33Å; P90-Y404 HydrophobicContact CG-CE1 3.81Å; P90-F425 HydrophobicContact CB-CB 4.12Å; P90-F425 WeakPolarHBondContact O-CB 3.41Å; P90-T426 HydrophobicContact CB-CG2 4.36Å; P90-T426 HydrophobicContact CG-CG2 3.68Å
91	E	98.8	Very high	96.9	Very high	122 Å²	122	44.5 Å²	44.5	57%	0.57	22%	0.216	S	C	*	.	H	α-helix	trans	-66	-43.9	-179.9	-67.2	63.2	-137.3	0	0	110.8	S89 K94 K95	S89-E91 VanDerWaalsContact C-N 3.27Å; S89-E91 PolarHBondContact O-N 2.9Å; E91-K94 WeakPolarHBondContact O-CB 3.45Å; E91-K94 PolarHBondContact O-N 3.02Å; E91-K95 WeakPolarHBondContact O-CB 3.41Å; E91-K95 PolarHBondContact O-N 3.25Å
92	S	98.8	Very high	97.8	Very high	8 Å²	8	42.5 Å²	42.5	6%	0.056	21%	0.206	C	C	.	.	H	α-helix	trans	-69	-40.1	176.1	-70	0	0	0	0	111.3	S89 K94 K95 F96 I380 D381	S89-S92 PolarHBondContact O-N 3.11Å; S89-S92 WeakPolarHBondContact OG-CB 3.48Å; S89-S92 PolarHBondContact OG-N 3.46Å; S89-S92 PolarHBondContact OG-OG 2.93Å; S89-S92 VanDerWaalsContact OG-OG 3.08Å; S92-K94 VanDerWaalsContact C-N 3.33Å; S92-K94 PolarHBondContact O-N 3.05Å; S92-K95 PolarHBondContact O-N 3.33Å; S92-F96 WeakPolarHBondContact O-CD2 3.4Å; S92-F96 PolarHBondContact O-N 2.54Å; S92-I380 WeakPolarHBondContact OG-CG2 3.36Å; S92-D381 PolarHBondContact OG-OD2 2.85Å
93	V	98.9	Very high	98.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-55	-49.7	171.1	171.4	0	0	0	0	110.6	S89 P90 K95 L97 F393 M398 F425 F428 L432	S89-V93 WeakPolarHBondContact O-CG2 3.2Å; S89-V93 PolarHBondContact O-N 3.06Å; P90-V93 PolarHBondContact O-N 3.46Å; V93-K95 PolarHBondContact O-N 3.42Å; V93-L97 HydrophobicContact CG1-CD1 3.81Å; V93-L97 HydrophobicContact CG1-CG 4.29Å; V93-L97 VanDerWaalsContact O-CB 3.29Å; V93-L97 WeakPolarHBondContact O-CB 3.47Å; V93-L97 WeakPolarHBondContact O-CG 3.44Å; V93-L97 PolarHBondContact O-N 2.95Å; V93-F393 HydrophobicContact CG2-CD1 3.89Å; V93-M398 HydrophobicContact CG2-CE 4.01Å; V93-M398 HydrophobicContact CG2-SD 3.64Å; V93-F425 HydrophobicContact CB-CB 4.13Å; V93-F425 HydrophobicContact CG1-CB 3.9Å; V93-F425 HydrophobicContact CG1-CD1 4.29Å; V93-F428 HydrophobicContact CG1-CD1 4.16Å; V93-F428 HydrophobicContact CG1-CE1 3.91Å; V93-F428 HydrophobicContact CG1-CZ 4.44Å; V93-F428 HydrophobicContact CG2-CE1 4.13Å; V93-F428 HydrophobicContact CG2-CZ 4.29Å; V93-L432 HydrophobicContact CG1-CD1 4.15Å
94	K	98.8	Very high	98.5	Very high	100 Å²	100	38.8 Å²	38.8	44%	0.435	19%	0.19	S	C	.	.	H	α-helix	trans	-57	-51.6	176.1	179.7	-177.7	-178.4	-175.6	0	111.3	P90 E91 S92 F96 M98 F425	P90-K94 WeakPolarHBondContact O-CB 3.46Å; P90-K94 PolarHBondContact O-N 3.46Å; E91-K94 WeakPolarHBondContact O-CB 3.45Å; E91-K94 PolarHBondContact O-N 3.02Å; S92-K94 VanDerWaalsContact C-N 3.33Å; S92-K94 PolarHBondContact O-N 3.05Å; K94-F96 PolarHBondContact O-N 3.46Å; K94-M98 HydrophobicContact CG-CG 4.38Å; K94-M98 WeakPolarHBondContact O-CB 3.49Å; K94-M98 VanDerWaalsContact O-CG 3.24Å; K94-M98 WeakPolarHBondContact O-CG 3.26Å; K94-M98 PolarHBondContact O-N 2.69Å; K94-F425 HydrophobicContact CB-CD1 3.84Å; K94-F425 HydrophobicContact CB-CD2 3.8Å; K94-F425 HydrophobicContact CB-CE1 3.82Å; K94-F425 HydrophobicContact CB-CE2 3.8Å; K94-F425 HydrophobicContact CB-CG 3.86Å; K94-F425 HydrophobicContact CB-CZ 3.81Å; K94-F425 HydrophobicContact CD-CD2 4.27Å; K94-F425 HydrophobicContact CD-CE2 3.59Å; K94-F425 HydrophobicContact CD-CZ 3.79Å; K94-F425 HydrophobicContact CG-CD1 4.39Å; K94-F425 HydrophobicContact CG-CD2 4.26Å; K94-F425 HydrophobicContact CG-CE1 3.86Å; K94-F425 HydrophobicContact CG-CE2 3.72Å; K94-F425 HydrophobicContact CG-CZ 3.5Å; K94-F425 VanDerWaalsContact CG-CZ 3.5Å
95	K	98.8	Very high	98.6	Very high	92 Å²	92	37.9 Å²	37.9	40%	0.4	18%	0.184	S	C	.	.	H	α-helix	trans	-57.9	-49	-176.5	178.1	178.5	175.8	179	0	112.1	E91 S92 V93 Y102	E91-K95 WeakPolarHBondContact O-CB 3.41Å; E91-K95 PolarHBondContact O-N 3.25Å; S92-K95 PolarHBondContact O-N 3.33Å; V93-K95 PolarHBondContact O-N 3.42Å; K95-Y102 WeakPolarHBondContact CE-OH 3.48Å; K95-Y102 HydrophobicContact CG-CE2 4.33Å
96	F	98.8	Very high	98.5	Very high	1 Å²	1	40.9 Å²	40.9	0%	0.004	21%	0.205	C	C	.	.	H	α-helix	trans	-89.7	-31.6	-169.3	-64.4	-64.8	0	0	0	113.8	S92 K94 Y102 L374 I380 L391 F393	S92-F96 WeakPolarHBondContact O-CD2 3.4Å; S92-F96 PolarHBondContact O-N 2.54Å; K94-F96 PolarHBondContact O-N 3.46Å; F96-Y102 HydrophobicContact CB-CD2 4.37Å; F96-Y102 AromaticContact CD1-CD1 3.76Å; F96-Y102 HydrophobicContact CD1-CD1 3.76Å; F96-Y102 AromaticContact CD1-CD2 3.7Å; F96-Y102 HydrophobicContact CD1-CD2 3.7Å; F96-Y102 AromaticContact CD1-CE1 3.69Å; F96-Y102 HydrophobicContact CD1-CE1 3.69Å; F96-Y102 AromaticContact CD1-CE2 3.61Å; F96-Y102 HydrophobicContact CD1-CE2 3.61Å; F96-Y102 AromaticContact CD1-CG 3.76Å; F96-Y102 HydrophobicContact CD1-CG 3.76Å; F96-Y102 AromaticContact CD1-CZ 3.6Å; F96-Y102 HydrophobicContact CE1-CD1 4.19Å; F96-Y102 AromaticContact CE1-CE1 3.69Å; F96-Y102 HydrophobicContact CE1-CE1 3.69Å; F96-Y102 HydrophobicContact CE1-CE2 4.06Å; F96-Y102 AromaticContact CE1-CZ 3.61Å; F96-Y102 HydrophobicContact CG-CD2 4.49Å; F96-Y102 WeakPolarHBondContact O-CB 3.23Å; F96-L374 HydrophobicContact CE1-CD1 4.1Å; F96-I380 HydrophobicContact CE1-CD1 4.49Å; F96-I380 HydrophobicContact CE2-CD1 3.78Å; F96-I380 HydrophobicContact CE2-CG1 4.16Å; F96-I380 HydrophobicContact CE2-CG2 4.07Å; F96-I380 HydrophobicContact CZ-CD1 3.51Å; F96-I380 HydrophobicContact CZ-CG1 3.85Å; F96-L391 HydrophobicContact CD1-CD1 4.08Å; F96-L391 HydrophobicContact CD2-CD1 4.15Å; F96-L391 HydrophobicContact CE1-CD1 4.09Å; F96-L391 HydrophobicContact CE2-CD1 4.18Å; F96-L391 HydrophobicContact CG-CD1 4.14Å; F96-L391 HydrophobicContact CZ-CD1 4.15Å; F96-F393 HydrophobicContact CB-CE1 4.02Å; F96-F393 HydrophobicContact CB-CE2 4.09Å; F96-F393 HydrophobicContact CB-CZ 3.36Å; F96-F393 HydrophobicContact CD2-CE1 4.03Å; F96-F393 AromaticContact CD2-CZ 3.74Å; F96-F393 HydrophobicContact CD2-CZ 3.74Å; F96-F393 HydrophobicContact CG-CE1 4.45Å; F96-F393 AromaticContact CG-CZ 3.82Å; F96-F393 HydrophobicContact CG-CZ 3.82Å
97	L	98.8	Very high	98.2	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-85.7	-30.9	-179.9	-58.9	-169.1	0	0	0	113	V93 T370 R372 F393 F428 L432 G433	V93-L97 HydrophobicContact CG1-CD1 3.81Å; V93-L97 HydrophobicContact CG1-CG 4.29Å; V93-L97 VanDerWaalsContact O-CB 3.29Å; V93-L97 WeakPolarHBondContact O-CB 3.47Å; V93-L97 WeakPolarHBondContact O-CG 3.44Å; V93-L97 PolarHBondContact O-N 2.95Å; L97-T370 HydrophobicContact CD1-CG2 4.46Å; L97-T370 HydrophobicContact CD2-CG2 3.95Å; L97-R372 HydrophobicContact CD2-CG 4.15Å; L97-F393 HydrophobicContact CD1-CB 4.37Å; L97-F393 HydrophobicContact CD1-CG 4.41Å; L97-F393 HydrophobicContact CD2-CD2 3.65Å; L97-F393 HydrophobicContact CD2-CE2 3.98Å; L97-F393 HydrophobicContact CD2-CG 3.98Å; L97-F393 HydrophobicContact CG-CD2 4.43Å; L97-F393 HydrophobicContact CG-CG 4.3Å; L97-F428 HydrophobicContact CD1-CD2 4.45Å; L97-L432 HydrophobicContact CB-CB 4.03Å; L97-L432 HydrophobicContact CD1-CB 4.23Å; L97-G433 WeakPolarHBondContact O-CA 3.17Å
98	M	98.8	Very high	98	Very high	97 Å²	97	48.4 Å²	48.4	48%	0.478	24%	0.239	S	C	.	.	S	Bend	trans	-87.1	-5.9	-174.7	-56.4	-57.2	-60.8	0	0	114.5	K94 F425 L432	K94-M98 HydrophobicContact CG-CG 4.38Å; K94-M98 WeakPolarHBondContact O-CB 3.49Å; K94-M98 VanDerWaalsContact O-CG 3.24Å; K94-M98 WeakPolarHBondContact O-CG 3.26Å; K94-M98 PolarHBondContact O-N 2.69Å; M98-F425 HydrophobicContact CG-CE1 3.79Å; M98-F425 HydrophobicContact CG-CZ 4.5Å; M98-F425 HydrophobicContact SD-CE1 4.09Å; M98-L432 HydrophobicContact SD-CB 3.72Å; M98-L432 HydrophobicContact SD-CD1 4.41Å; M98-L432 HydrophobicContact SD-CG 4.49Å
99	S	98.6	Very high	97.9	Very high	35 Å²	35	49.6 Å²	49.6	25%	0.245	24%	0.244	C	C	.	.			trans	-109.6	131.8	-177.8	176.7	0	0	0	0	111.5	K101 Y102	S99-K101 PolarHBondContact O-N 2.89Å; S99-K101 WeakPolarHBondContact OG-CB 3.14Å; S99-K101 PolarHBondContact OG-N 2.81Å; S99-Y102 PolarHBondContact O-N 3.22Å
100	T	98.1	Very high	97.6	Very high	72 Å²	72	56.6 Å²	56.6	44%	0.442	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-12.7	175.8	55	0	0	0	0	113.3	Y102 N103 Y131 H434	T100-Y102 PolarHBondContact O-N 3.27Å; T100-N103 PolarHBondContact O-ND2 2.93Å; T100-Y131 HydrophobicContact CG2-CE2 3.74Å; T100-H434 HydrophobicContact CG2-CB 4.13Å
101	K	98	Very high	97.3	Very high	162 Å²	162	57.5 Å²	57.5	70%	0.704	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-29.5	172.8	-64.6	-170.1	176.3	-171.5	0	112.5	S99	S99-K101 PolarHBondContact O-N 2.89Å; S99-K101 WeakPolarHBondContact OG-CB 3.14Å; S99-K101 PolarHBondContact OG-N 2.81Å
102	Y	98.6	Very high	97.1	Very high	36 Å²	36	53.6 Å²	53.6	14%	0.141	26%	0.261	C	S	.	.	S	Bend	trans	-105.9	115.7	-177.1	-54.7	-71.5	0	0	0	110.3	K95 F96 S99 T100 R372 L374 H434	K95-Y102 WeakPolarHBondContact CE-OH 3.48Å; K95-Y102 HydrophobicContact CG-CE2 4.33Å; F96-Y102 HydrophobicContact CB-CD2 4.37Å; F96-Y102 AromaticContact CD1-CD1 3.76Å; F96-Y102 HydrophobicContact CD1-CD1 3.76Å; F96-Y102 AromaticContact CD1-CD2 3.7Å; F96-Y102 HydrophobicContact CD1-CD2 3.7Å; F96-Y102 AromaticContact CD1-CE1 3.69Å; F96-Y102 HydrophobicContact CD1-CE1 3.69Å; F96-Y102 AromaticContact CD1-CE2 3.61Å; F96-Y102 HydrophobicContact CD1-CE2 3.61Å; F96-Y102 AromaticContact CD1-CG 3.76Å; F96-Y102 HydrophobicContact CD1-CG 3.76Å; F96-Y102 AromaticContact CD1-CZ 3.6Å; F96-Y102 HydrophobicContact CE1-CD1 4.19Å; F96-Y102 AromaticContact CE1-CE1 3.69Å; F96-Y102 HydrophobicContact CE1-CE1 3.69Å; F96-Y102 HydrophobicContact CE1-CE2 4.06Å; F96-Y102 AromaticContact CE1-CZ 3.61Å; F96-Y102 HydrophobicContact CG-CD2 4.49Å; F96-Y102 WeakPolarHBondContact O-CB 3.23Å; S99-Y102 PolarHBondContact O-N 3.22Å; T100-Y102 PolarHBondContact O-N 3.27Å; Y102-R372 WeakPolarHBondContact O-CD 3.29Å; Y102-R372 PolarHBondContact O-NE 2.82Å; Y102-L374 HydrophobicContact CE1-CD1 4.42Å; Y102-H434 PolarHBondContact O-CE1 3.05Å
103	N	98.7	Very high	97	Very high	27 Å²	27	54.1 Å²	54.1	14%	0.144	26%	0.263	C	S	.	.			trans	-112.3	169.9	-175.8	-73	-68.8	0	0	0	112.3	T100 Y131 R372 L373 H434	T100-N103 PolarHBondContact O-ND2 2.93Å; N103-Y131 WeakPolarHBondContact OD1-CD2 3.44Å; N103-R372 VanDerWaalsContact C-CD 3.46Å; N103-R372 CarbonylContact O-C 3.48Å; N103-R372 WeakPolarHBondContact O-CA 3.46Å; N103-R372 VanDerWaalsContact O-CD 3.26Å; N103-R372 WeakPolarHBondContact O-CD 3.39Å; N103-L373 PolarHBondContact O-N 2.94Å; N103-H434 PolarHBondContact OD1-NE2 2.96Å
104	K	98.8	Very high	96.9	Very high	19 Å²	19	56.2 Å²	56.2	8%	0.083	28%	0.276	C	S	.	.			trans	-63.4	144.8	-178.2	-71.7	178.4	178.3	172	0	110.9	S106 Y109 V126 C129 R435	K104-S106 PolarHBondContact O-N 2.72Å; K104-Y109 HydrophobicContact CB-CD2 3.82Å; K104-Y109 HydrophobicContact CB-CE2 3.71Å; K104-Y109 HydrophobicContact CD-CD1 4.28Å; K104-Y109 HydrophobicContact CD-CD2 4.2Å; K104-Y109 HydrophobicContact CD-CE1 3.85Å; K104-Y109 HydrophobicContact CD-CE2 3.74Å; K104-Y109 HydrophobicContact CD-CG 4.46Å; K104-Y109 HydrophobicContact CG-CD2 4.24Å; K104-Y109 HydrophobicContact CG-CE2 3.67Å; K104-V126 PolarHBondContact NZ-O 2.91Å; K104-C129 HydrophobicContact CB-CB 4.07Å; K104-C129 VanDerWaalsContact CB-SG 3.57Å; K104-C129 WeakPolarHBondContact O-CB 3.2Å; K104-R435 VanDerWaalsContact NZ-NH2 3.12Å
105	D	98.1	Very high	96.7	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.005	26%	0.255	C	S	.	.			trans	-80.6	113.8	174.4	-175.1	-55	0	0	0	110.8	K107 M108 Y109 F371 L373 P390	D105-K107 VanDerWaalsContact C-N 3.27Å; D105-K107 PolarHBondContact O-N 2.79Å; D105-K107 VanDerWaalsContact OD1-CA 3.3Å; D105-K107 WeakPolarHBondContact OD1-CA 3.45Å; D105-K107 WeakPolarHBondContact OD1-CB 3.38Å; D105-K107 PolarHBondContact OD1-N 2.91Å; D105-M108 HydrophobicContact CB-CB 4.24Å; D105-M108 HydrophobicContact CB-CG 4.03Å; D105-M108 PolarHBondContact O-N 3.37Å; D105-M108 PolarHBondContact OD1-N 2.57Å; D105-M108 VanDerWaalsContact OD1-N 3.07Å; D105-Y109 WeakPolarHBondContact O-CD2 3.45Å; D105-Y109 PolarHBondContact O-N 3.24Å; D105-F371 HydrophobicContact CB-CB 4.48Å; D105-L373 HydrophobicContact CB-CB 4.1Å; D105-L373 WeakPolarHBondContact OD2-CD1 3.45Å; D105-P390 HydrophobicContact CB-CB 4.37Å; D105-P390 WeakPolarHBondContact OD2-CB 3.49Å; D105-P390 VanDerWaalsContact OD2-CG 3.32Å; D105-P390 WeakPolarHBondContact OD2-CG 3.4Å
106	S	96.1	Very high	96.4	Very high	63 Å²	63	48.3 Å²	48.3	44%	0.441	24%	0.241	S	C	.	.	H	α-helix	trans	-63.9	-28	-178.7	61.5	0	0	0	0	113.8	K104 M108 R110	K104-S106 PolarHBondContact O-N 2.72Å; S106-M108 VanDerWaalsContact C-N 3.34Å; S106-R110 WeakPolarHBondContact O-CB 3.3Å; S106-R110 PolarHBondContact O-N 2.86Å
107	K	92.9	Very high	96.1	Very high	99 Å²	99	51.3 Å²	51.3	43%	0.43	27%	0.273	S	S	.	.	H	α-helix	trans	-69.8	-34.9	177.3	-55.6	164	-179	160.8	0	110.8	D105 N388	D105-K107 VanDerWaalsContact C-N 3.27Å; D105-K107 PolarHBondContact O-N 2.79Å; D105-K107 VanDerWaalsContact OD1-CA 3.3Å; D105-K107 WeakPolarHBondContact OD1-CA 3.45Å; D105-K107 WeakPolarHBondContact OD1-CB 3.38Å; D105-K107 PolarHBondContact OD1-N 2.91Å; K107-N388 PolarHBondContact NZ-ND2 2.89Å; K107-N388 PolarHBondContact NZ-OD1 2.91Å
108	M	93.6	Very high	96	Very high	59 Å²	59	53.8 Å²	53.8	29%	0.291	28%	0.284	S	S	.	.	H	α-helix	trans	-76.4	-45.9	176	-61.2	-51.4	-69.4	0	0	111.3	D105 S106 R110 A111 F371 P390	D105-M108 HydrophobicContact CB-CB 4.24Å; D105-M108 HydrophobicContact CB-CG 4.03Å; D105-M108 PolarHBondContact O-N 3.37Å; D105-M108 PolarHBondContact OD1-N 2.57Å; D105-M108 VanDerWaalsContact OD1-N 3.07Å; S106-M108 VanDerWaalsContact C-N 3.34Å; M108-R110 PolarHBondContact O-N 2.7Å; M108-A111 PolarHBondContact O-N 3.45Å; M108-F371 HydrophobicContact CB-CB 4.21Å; M108-F371 HydrophobicContact CB-CD1 4.43Å; M108-F371 HydrophobicContact CB-CD2 4.08Å; M108-F371 HydrophobicContact CB-CG 3.99Å; M108-F371 HydrophobicContact CE-CD1 4.17Å; M108-F371 HydrophobicContact CE-CD2 4.44Å; M108-F371 HydrophobicContact CE-CE1 3.57Å; M108-F371 HydrophobicContact CE-CE2 3.92Å; M108-F371 HydrophobicContact CE-CZ 3.45Å; M108-F371 VanDerWaalsContact CE-CZ 3.45Å; M108-F371 HydrophobicContact CG-CB 4.34Å; M108-F371 HydrophobicContact CG-CD1 3.91Å; M108-F371 HydrophobicContact CG-CD2 4.42Å; M108-F371 HydrophobicContact CG-CE1 4.29Å; M108-F371 HydrophobicContact CG-CG 3.97Å; M108-P390 HydrophobicContact CG-CB 3.81Å; M108-P390 HydrophobicContact CG-CG 4.19Å; M108-P390 HydrophobicContact SD-CB 4.34Å; M108-P390 HydrophobicContact SD-CG 4.28Å
109	Y	96.1	Very high	96	Very high	26 Å²	26	53.3 Å²	53.3	10%	0.102	28%	0.277	C	S	.	.	H	α-helix	trans	-72.5	-13.3	-179.4	-81.4	-93.5	0	0	0	113.8	K104 D105 A111 L112 Q113 V126 T370 F371	K104-Y109 HydrophobicContact CB-CD2 3.82Å; K104-Y109 HydrophobicContact CB-CE2 3.71Å; K104-Y109 HydrophobicContact CD-CD1 4.28Å; K104-Y109 HydrophobicContact CD-CD2 4.2Å; K104-Y109 HydrophobicContact CD-CE1 3.85Å; K104-Y109 HydrophobicContact CD-CE2 3.74Å; K104-Y109 HydrophobicContact CD-CG 4.46Å; K104-Y109 HydrophobicContact CG-CD2 4.24Å; K104-Y109 HydrophobicContact CG-CE2 3.67Å; D105-Y109 WeakPolarHBondContact O-CD2 3.45Å; D105-Y109 PolarHBondContact O-N 3.24Å; Y109-A111 PolarHBondContact O-N 3.49Å; Y109-A111 VanDerWaalsContact O-N 3.13Å; Y109-L112 HydrophobicContact CD1-CD1 4.06Å; Y109-L112 HydrophobicContact CE1-CD1 4.33Å; Y109-L112 PolarHBondContact O-N 2.85Å; Y109-Q113 WeakPolarHBondContact O-CG 3.41Å; Y109-Q113 PolarHBondContact O-N 2.9Å; Y109-Q113 VanDerWaalsContact O-N 3.11Å; Y109-V126 HydrophobicContact CE1-CG1 4.49Å; Y109-T370 PolarHBondContact OH-OG1 3.19Å; Y109-T370 VanDerWaalsContact OH-OG1 3.06Å; Y109-F371 HydrophobicContact CE2-CB 4.13Å
110	R	94	Very high	95.9	Very high	153 Å²	153	51.6 Å²	51.6	58%	0.577	27%	0.265	S	S	*	.	H	α-helix	trans	-55.1	-28.7	171.6	-172.4	168.9	-178.1	83.3	-2.2	113.5	S106 M108 L112 Q113 T114	S106-R110 WeakPolarHBondContact O-CB 3.3Å; S106-R110 PolarHBondContact O-N 2.86Å; M108-R110 PolarHBondContact O-N 2.7Å; R110-L112 PolarHBondContact O-N 2.9Å; R110-Q113 PolarHBondContact O-N 3.45Å; R110-T114 PolarHBondContact O-N 3.03Å; R110-T114 VanDerWaalsContact O-N 3.12Å
111	A	91.6	Very high	95.9	Very high	36 Å²	36	48.8 Å²	48.8	30%	0.298	25%	0.247	S	C	.	.	H	α-helix	trans	-63.3	-21.6	174.8	0	0	0	0	0	113.5	M108 Y109 V115	M108-A111 PolarHBondContact O-N 3.45Å; Y109-A111 PolarHBondContact O-N 3.49Å; Y109-A111 VanDerWaalsContact O-N 3.13Å; A111-V115 WeakPolarHBondContact O-CG2 3.27Å
112	L	95.1	Very high	96	Very high	40 Å²	40	41.3 Å²	41.3	21%	0.209	22%	0.216	C	C	.	.	H	α-helix	trans	-95.6	-37.6	171.7	-61.5	178.8	0	0	0	111.7	Y109 R110 T114 F121 V126 I222	Y109-L112 HydrophobicContact CD1-CD1 4.06Å; Y109-L112 HydrophobicContact CE1-CD1 4.33Å; Y109-L112 PolarHBondContact O-N 2.85Å; R110-L112 PolarHBondContact O-N 2.9Å; L112-T114 VanDerWaalsContact C-N 3.29Å; L112-T114 PolarHBondContact O-N 3.44Å; L112-F121 HydrophobicContact CB-CB 4.37Å; L112-F121 HydrophobicContact CB-CD2 4.01Å; L112-F121 HydrophobicContact CB-CG 4.27Å; L112-F121 HydrophobicContact CD2-CD2 4.46Å; L112-F121 HydrophobicContact CD2-CE2 4.31Å; L112-F121 WeakPolarHBondContact O-CB 3.06Å; L112-F121 WeakPolarHBondContact O-CD2 3.1Å; L112-F121 PolarHBondContact O-N 3.48Å; L112-V126 HydrophobicContact CD1-CG1 4.25Å; L112-I222 HydrophobicContact CD2-CD1 4.13Å; L112-I222 HydrophobicContact CD2-CG2 4.06Å
113	Q	97.1	Very high	95.9	Very high	19 Å²	19	42 Å²	42	9%	0.089	22%	0.22	C	C	.	.	H	α-helix	trans	-56	-45.2	179.8	-63	176.1	-14.8	0	0	111.5	Y109 R110 L120 G122 Q123 S127	Y109-Q113 WeakPolarHBondContact O-CG 3.41Å; Y109-Q113 PolarHBondContact O-N 2.9Å; Y109-Q113 VanDerWaalsContact O-N 3.11Å; R110-Q113 PolarHBondContact O-N 3.45Å; Q113-L120 PolarHBondContact O-N 2.97Å; Q113-G122 WeakPolarHBondContact CG-O 3.39Å; Q113-G122 PolarHBondContact O-N 3.1Å; Q113-Q123 VanDerWaalsContact CD-OE1 3.31Å; Q113-S127 PolarHBondContact NE2-O 3.05Å
114	T	96	Very high	95.9	Very high	44 Å²	44	40.7 Å²	40.7	27%	0.27	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	129.5	-175.9	-50.1	0	0	0	0	110.8	R110 L112 G117 E118	R110-T114 PolarHBondContact O-N 3.03Å; R110-T114 VanDerWaalsContact O-N 3.12Å; L112-T114 VanDerWaalsContact C-N 3.29Å; L112-T114 PolarHBondContact O-N 3.44Å; T114-G117 VanDerWaalsContact CG2-C 3.43Å; T114-E118 CarbonylContact C-O 3.54Å; T114-E118 VanDerWaalsContact CA-O 3.23Å; T114-E118 WeakPolarHBondContact CA-O 3.34Å; T114-E118 VanDerWaalsContact CG2-O 3.24Å; T114-E118 WeakPolarHBondContact CG2-O 3.49Å
115	V	94.6	Very high	95.9	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	121.5	179.8	-179.4	0	0	0	0	109.1	A111 G117 E118 L120 I222 V243 I247	A111-V115 WeakPolarHBondContact O-CG2 3.27Å; V115-G117 PolarHBondContact O-N 2.98Å; V115-E118 PolarHBondContact N-O 3.45Å; V115-E118 PolarHBondContact O-N 2.82Å; V115-L120 HydrophobicContact CG2-CB 4.38Å; V115-L120 HydrophobicContact CG2-CD2 3.87Å; V115-I222 HydrophobicContact CG2-CG1 3.68Å; V115-V243 HydrophobicContact CG1-CG1 3.98Å; V115-I247 HydrophobicContact CB-CD1 3.75Å; V115-I247 HydrophobicContact CG1-CD1 4.2Å
116	F	92.1	Very high	95.9	Very high	25 Å²	25	42.6 Å²	42.6	11%	0.11	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.1	26.4	-175.9	-59.5	-51.1	0	0	0	116	A224 L240 V243 R244	F116-A224 HydrophobicContact CZ-CB 4.05Å; F116-L240 HydrophobicContact CD1-CD1 4.43Å; F116-L240 HydrophobicContact CD1-CD2 4.31Å; F116-L240 HydrophobicContact CD1-CG 4.05Å; F116-L240 HydrophobicContact CD2-CG 4.13Å; F116-L240 HydrophobicContact CE1-CD1 4.15Å; F116-L240 HydrophobicContact CE1-CG 4.27Å; F116-L240 HydrophobicContact CE2-CD1 4.28Å; F116-L240 HydrophobicContact CE2-CG 4.35Å; F116-L240 HydrophobicContact CG-CG 3.99Å; F116-L240 HydrophobicContact CZ-CD1 4.08Å; F116-L240 HydrophobicContact CZ-CG 4.43Å; F116-V243 HydrophobicContact CD2-CB 4.06Å; F116-V243 HydrophobicContact CD2-CG1 3.73Å; F116-V243 HydrophobicContact CD2-CG2 4.47Å; F116-V243 HydrophobicContact CE2-CB 4.39Å; F116-V243 HydrophobicContact CE2-CG1 4.17Å; F116-V243 HydrophobicContact CE2-CG2 4.3Å; F116-R244 HydrophobicContact CB-CG 4.34Å; F116-R244 VanDerWaalsContact O-CZ 3.27Å; F116-R244 PolarHBondContact O-NE 2.95Å; F116-R244 PolarHBondContact O-NH2 2.92Å
117	G	91.9	Very high	96	Very high	65 Å²	65	39.6 Å²	39.6	67%	0.67	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	99.8	-7.7	179.5	0	0	0	0	0	114.6	T114 V115	T114-G117 VanDerWaalsContact CG2-C 3.43Å; V115-G117 PolarHBondContact O-N 2.98Å
118	E	97.3	Very high	96.3	Very high	51 Å²	51	35 Å²	35	24%	0.238	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	134.5	177.1	-67.2	-67.4	168.6	0	0	111.2	T114 V115 L120 R244 I247 R248	T114-E118 CarbonylContact C-O 3.54Å; T114-E118 VanDerWaalsContact CA-O 3.23Å; T114-E118 WeakPolarHBondContact CA-O 3.34Å; T114-E118 VanDerWaalsContact CG2-O 3.24Å; T114-E118 WeakPolarHBondContact CG2-O 3.49Å; V115-E118 PolarHBondContact N-O 3.45Å; V115-E118 PolarHBondContact O-N 2.82Å; E118-L120 PolarHBondContact O-N 3.25Å; E118-R244 HydrophobicContact CG-CB 3.65Å; E118-R244 HydrophobicContact CG-CG 3.56Å; E118-I247 HydrophobicContact CB-CB 4.18Å; E118-I247 HydrophobicContact CB-CD1 3.92Å; E118-I247 HydrophobicContact CB-CG2 3.87Å; E118-R248 IonicContact OE1-CZ 3.83Å; E118-R248 IonicContact OE1-NH1 2.73Å; E118-R248 PolarHBondContact OE1-NH1 3.45Å
119	R	98.2	Very high	96.5	Very high	87 Å²	87	32.7 Å²	32.7	33%	0.328	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	119.8	175.7	-175.4	176.4	-176.3	164	-1.4	108.4	I247 R251 E290 D294	R119-I247 VanDerWaalsContact O-CG2 3.24Å; R119-I247 WeakPolarHBondContact O-CG2 3.41Å; R119-R251 WeakPolarHBondContact O-CD 3.24Å; R119-E290 VanDerWaalsContact NH1-CB 3.29Å; R119-E290 IonicContact NH1-OE2 2.71Å; R119-D294 IonicContact CZ-OD1 3.45Å; R119-D294 IonicContact CZ-OD2 3.65Å; R119-D294 VanDerWaalsContact CZ-OD2 3.22Å; R119-D294 VanDerWaalsContact NE-CG 3.31Å; R119-D294 IonicContact NE-OD1 3.95Å; R119-D294 PolarHBondContact NE-OD1 3.28Å; R119-D294 IonicContact NE-OD2 2.84Å; R119-D294 PolarHBondContact NE-OD2 3.43Å; R119-D294 IonicContact NH2-OD1 3.13Å; R119-D294 IonicContact NH2-OD2 3.75Å; R119-D294 PolarHBondContact NH2-OD2 2.96Å
120	L	98.2	Very high	96.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.19	C	C	.	.	S	Bend	trans	-109.1	-83.5	178.9	177.9	63.5	0	0	0	110.1	Q113 V115 E118 G122 M218 I222 I247 R251 V297 I301	Q113-L120 PolarHBondContact O-N 2.97Å; V115-L120 HydrophobicContact CG2-CB 4.38Å; V115-L120 HydrophobicContact CG2-CD2 3.87Å; E118-L120 PolarHBondContact O-N 3.25Å; L120-G122 VanDerWaalsContact C-N 3.32Å; L120-M218 HydrophobicContact CD1-SD 3.96Å; L120-I222 HydrophobicContact CD2-CD1 3.8Å; L120-I222 HydrophobicContact CD2-CG1 4.09Å; L120-I247 HydrophobicContact CB-CG2 4.13Å; L120-I247 HydrophobicContact CD1-CG1 4.11Å; L120-I247 HydrophobicContact CD1-CG2 4Å; L120-R251 PolarHBondContact O-NH1 2.95Å; L120-R251 VanDerWaalsContact O-NH1 3.13Å; L120-V297 HydrophobicContact CD1-CG1 3.58Å; L120-V297 HydrophobicContact CG-CG1 4.09Å; L120-V297 WeakPolarHBondContact O-CG1 3.42Å; L120-I301 HydrophobicContact CD1-CD1 4.12Å
121	F	98.1	Very high	96.9	Very high	12 Å²	12	30.6 Å²	30.6	5%	0.053	17%	0.173	C	C	.	.	S	Bend	trans	-79.6	-17.9	175.7	-70.8	-101.9	0	0	0	112.4	L112 Q123 G124 S127 I222 D294 T298 I301	L112-F121 HydrophobicContact CB-CB 4.37Å; L112-F121 HydrophobicContact CB-CD2 4.01Å; L112-F121 HydrophobicContact CB-CG 4.27Å; L112-F121 HydrophobicContact CD2-CD2 4.46Å; L112-F121 HydrophobicContact CD2-CE2 4.31Å; L112-F121 WeakPolarHBondContact O-CB 3.06Å; L112-F121 WeakPolarHBondContact O-CD2 3.1Å; L112-F121 PolarHBondContact O-N 3.48Å; F121-Q123 PolarHBondContact O-N 2.82Å; F121-G124 PolarHBondContact O-N 2.86Å; F121-S127 PolarHBondContact O-OG 3.48Å; F121-I222 HydrophobicContact CE2-CD1 4.18Å; F121-D294 VanDerWaalsContact O-CB 3.31Å; F121-D294 WeakPolarHBondContact O-CB 3.25Å; F121-T298 HydrophobicContact CD1-CG2 4.28Å; F121-I301 HydrophobicContact CE1-CB 4.42Å; F121-I301 HydrophobicContact CE2-CD1 3.93Å; F121-I301 HydrophobicContact CZ-CB 3.96Å; F121-I301 HydrophobicContact CZ-CD1 3.77Å; F121-I301 HydrophobicContact CZ-CG1 4.46Å; F121-I301 HydrophobicContact CZ-CG2 3.99Å
122	G	98.2	Very high	97.2	Very high	5 Å²	5	34.8 Å²	34.8	5%	0.052	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	41.9	-126.3	-175.7	0	0	0	0	0	112.7	Q113 L120 S127 D294	Q113-G122 WeakPolarHBondContact CG-O 3.39Å; Q113-G122 PolarHBondContact O-N 3.1Å; L120-G122 VanDerWaalsContact C-N 3.32Å; G122-S127 WeakPolarHBondContact O-CB 3.42Å; G122-S127 PolarHBondContact O-OG 2.88Å; G122-D294 VanDerWaalsContact CA-OD2 3.23Å; G122-D294 WeakPolarHBondContact CA-OD2 3.45Å
123	Q	98.2	Very high	97.3	Very high	51 Å²	51	39.2 Å²	39.2	24%	0.238	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	31.4	178.4	-60.5	-62	105.4	0	0	113.1	Q113 F121 E128 R133 Q137 D294	Q113-Q123 VanDerWaalsContact CD-OE1 3.31Å; F121-Q123 PolarHBondContact O-N 2.82Å; Q123-E128 VanDerWaalsContact NE2-CD 3.3Å; Q123-E128 PolarHBondContact NE2-OE1 3.21Å; Q123-E128 PolarHBondContact NE2-OE2 3.5Å; Q123-R133 VanDerWaalsContact NE2-NH2 3.19Å; Q123-Q137 PolarHBondContact O-NE2 2.84Å; Q123-Q137 VanDerWaalsContact O-NE2 3.12Å; Q123-D294 PolarHBondContact N-OD2 3.48Å
124	G	98.3	Very high	97.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.198	C	C	.	.	S	Bend	trans	-67.5	172.7	173	0	0	0	0	0	113	F121 V126 S127 E128 N295	F121-G124 PolarHBondContact O-N 2.86Å; G124-V126 PolarHBondContact O-N 3.4Å; G124-S127 PolarHBondContact O-N 2.88Å; G124-S127 PolarHBondContact O-OG 3.49Å; G124-E128 PolarHBondContact O-N 3.43Å; G124-N295 WeakPolarHBondContact CA-OD1 3.35Å
125	L	98.6	Very high	97.5	Very high	11 Å²	11	38.7 Å²	38.7	6%	0.058	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-31.5	-167.8	-166.2	68.2	0	0	0	114.7	Q137 R138 I141 N295 F299 R435 I438	L125-Q137 HydrophobicContact CD1-CB 3.92Å; L125-R138 HydrophobicContact CD1-CB 4.03Å; L125-I141 HydrophobicContact CD1-CD1 4.37Å; L125-I141 HydrophobicContact CD2-CD1 4.34Å; L125-N295 PolarHBondContact N-OD1 3Å; L125-F299 HydrophobicContact CB-CE2 4.45Å; L125-F299 HydrophobicContact CD2-CE2 4.22Å; L125-F299 HydrophobicContact CD2-CZ 3.74Å; L125-R435 PolarHBondContact O-NH2 2.86Å; L125-I438 HydrophobicContact CD2-CD1 3.98Å; L125-I438 HydrophobicContact CD2-CG2 4.08Å
126	V	98.4	Very high	97.7	Very high	48 Å²	48	45.5 Å²	45.5	29%	0.291	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-40.6	178.5	172.7	0	0	0	0	112.3	K104 Y109 L112 G124 T298	K104-V126 PolarHBondContact NZ-O 2.91Å; Y109-V126 HydrophobicContact CE1-CG1 4.49Å; L112-V126 HydrophobicContact CD1-CG1 4.25Å; G124-V126 PolarHBondContact O-N 3.4Å; V126-T298 HydrophobicContact CB-CG2 3.92Å; V126-T298 HydrophobicContact CG2-CG2 3.52Å
127	S	98.3	Very high	98	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101	-11.8	-170.2	47	0	0	0	0	114.4	Q113 F121 G122 G124 C129	Q113-S127 PolarHBondContact NE2-O 3.05Å; F121-S127 PolarHBondContact O-OG 3.48Å; G122-S127 WeakPolarHBondContact O-CB 3.42Å; G122-S127 PolarHBondContact O-OG 2.88Å; G124-S127 PolarHBondContact O-N 2.88Å; G124-S127 PolarHBondContact O-OG 3.49Å; S127-C129 PolarHBondContact O-N 3.46Å; S127-C129 PolarHBondContact O-SG 3.12Å
128	E	98.5	Very high	98.3	Very high	3 Å²	3	43.9 Å²	43.9	1%	0.014	20%	0.198	C	C	.	.			trans	-66	122.3	169.4	-179.1	53.3	-100.4	0	0	110.5	Q123 G124 N130 R133 W134 R435	Q123-E128 VanDerWaalsContact NE2-CD 3.3Å; Q123-E128 PolarHBondContact NE2-OE1 3.21Å; Q123-E128 PolarHBondContact NE2-OE2 3.5Å; G124-E128 PolarHBondContact O-N 3.43Å; E128-N130 VanDerWaalsContact OE1-CB 3.29Å; E128-N130 WeakPolarHBondContact OE1-CB 3.36Å; E128-N130 PolarHBondContact OE1-N 3.3Å; E128-R133 VanDerWaalsContact CD-NH2 3.33Å; E128-R133 HydrophobicContact CG-CB 3.84Å; E128-R133 IonicContact OE1-CZ 3.89Å; E128-R133 IonicContact OE1-NE 2.99Å; E128-R133 PolarHBondContact OE1-NE 3.17Å; E128-R133 IonicContact OE1-NH2 3.07Å; E128-R133 PolarHBondContact OE1-NH2 2.98Å; E128-R133 IonicContact OE2-CZ 3.02Å; E128-R133 IonicContact OE2-NE 2.7Å; E128-R133 PolarHBondContact OE2-NE 2.87Å; E128-R133 IonicContact OE2-NH1 3.61Å; E128-R133 IonicContact OE2-NH2 3.76Å; E128-R133 PolarHBondContact OE2-NH2 2.68Å; E128-W134 HydrophobicContact CB-CB 4.37Å; E128-W134 HydrophobicContact CG-CB 3.93Å; E128-R435 PolarHBondContact O-NH1 3.27Å; E128-R435 VanDerWaalsContact O-NH1 3.16Å; E128-R435 PolarHBondContact O-NH2 2.59Å
129	C	98.6	Very high	98.3	Very high	11 Å²	11	49.3 Å²	49.3	7%	0.074	22%	0.216	C	C	.	.			trans	-104.9	-25.4	-173.9	-65.5	0	0	0	0	112.6	K104 S127 Y131	K104-C129 HydrophobicContact CB-CB 4.07Å; K104-C129 VanDerWaalsContact CB-SG 3.57Å; K104-C129 WeakPolarHBondContact O-CB 3.2Å; S127-C129 PolarHBondContact O-N 3.46Å; S127-C129 PolarHBondContact O-SG 3.12Å; C129-Y131 PolarHBondContact O-N 3.02Å
130	N	98.6	Very high	98.3	Very high	78 Å²	78	46.9 Å²	46.9	42%	0.417	21%	0.211	S	C	.	.	S	Bend	trans	-69.7	126.3	173.8	177.5	-86.4	0	0	0	109.6	E128 E132 R133 W134	E128-N130 VanDerWaalsContact OE1-CB 3.29Å; E128-N130 WeakPolarHBondContact OE1-CB 3.36Å; E128-N130 PolarHBondContact OE1-N 3.3Å; N130-E132 PolarHBondContact O-N 2.88Å; N130-E132 PolarHBondContact OD1-N 3.01Å; N130-R133 HydrophobicContact CB-CB 4.46Å; N130-R133 PolarHBondContact OD1-N 3.37Å; N130-R133 VanDerWaalsContact OD1-N 3.08Å; N130-W134 WeakPolarHBondContact O-CB 3.37Å; N130-W134 PolarHBondContact O-N 2.99Å
131	Y	98.6	Very high	98.3	Very high	56 Å²	56	46.9 Å²	46.9	22%	0.22	21%	0.211	C	C	.	.	H	α-helix	trans	-59.9	-47.1	-174.1	-179.7	-93.1	0	0	0	112.3	T100 N103 C129 W134 H135 H434	T100-Y131 HydrophobicContact CG2-CE2 3.74Å; N103-Y131 WeakPolarHBondContact OD1-CD2 3.44Å; C129-Y131 PolarHBondContact O-N 3.02Å; Y131-W134 HydrophobicContact CD2-CE3 4.06Å; Y131-W134 HydrophobicContact CD2-CZ3 4.13Å; Y131-W134 HydrophobicContact CE2-CE3 4.14Å; Y131-W134 AromaticContact CE2-CZ3 3.74Å; Y131-W134 HydrophobicContact CE2-CZ3 3.74Å; Y131-W134 PolarHBondContact O-N 3.12Å; Y131-H135 HydrophobicContact CD1-CB 4.44Å; Y131-H135 HydrophobicContact CE1-CB 4.19Å; Y131-H135 WeakPolarHBondContact O-CB 3.41Å; Y131-H135 PolarHBondContact O-N 2.91Å; Y131-H434 AromaticContact CD2-CD2 3.71Å; Y131-H434 AromaticContact CD2-NE2 3.86Å; Y131-H434 AromaticContact CE2-CD2 3.5Å; Y131-H434 VanDerWaalsContact CE2-CD2 3.5Å; Y131-H434 WeakPolarHBondContact CE2-CD2 3.36Å; Y131-H434 AromaticContact CE2-NE2 4Å
132	E	98.5	Very high	98.2	Very high	125 Å²	125	49.2 Å²	49.2	58%	0.584	22%	0.224	S	C	*	.	H	α-helix	trans	-66	-45.6	-175	-58.6	-52.9	152.6	0	0	112.6	N130 W134 H135 K136	N130-E132 PolarHBondContact O-N 2.88Å; N130-E132 PolarHBondContact OD1-N 3.01Å; E132-W134 PolarHBondContact O-N 2.97Å; E132-H135 PolarHBondContact O-N 3.29Å; E132-K136 PolarHBondContact O-N 3.02Å
133	R	98.2	Very high	98.2	Very high	133 Å²	133	53.9 Å²	53.9	50%	0.502	25%	0.247	S	C	.	.	H	α-helix	trans	-62.1	-44.4	175.8	-68.2	-169.7	-59.9	-175.7	6.2	111.5	Q123 E128 N130 Q137	Q123-R133 VanDerWaalsContact NE2-NH2 3.19Å; E128-R133 VanDerWaalsContact CD-NH2 3.33Å; E128-R133 HydrophobicContact CG-CB 3.84Å; E128-R133 IonicContact OE1-CZ 3.89Å; E128-R133 IonicContact OE1-NE 2.99Å; E128-R133 PolarHBondContact OE1-NE 3.17Å; E128-R133 IonicContact OE1-NH2 3.07Å; E128-R133 PolarHBondContact OE1-NH2 2.98Å; E128-R133 IonicContact OE2-CZ 3.02Å; E128-R133 IonicContact OE2-NE 2.7Å; E128-R133 PolarHBondContact OE2-NE 2.87Å; E128-R133 IonicContact OE2-NH1 3.61Å; E128-R133 IonicContact OE2-NH2 3.76Å; E128-R133 PolarHBondContact OE2-NH2 2.68Å; N130-R133 HydrophobicContact CB-CB 4.46Å; N130-R133 PolarHBondContact OD1-N 3.37Å; N130-R133 VanDerWaalsContact OD1-N 3.08Å; R133-Q137 PolarHBondContact O-N 3.11Å
134	W	98.7	Very high	98.1	Very high	10 Å²	10	52 Å²	52	4%	0.038	24%	0.24	C	C	.	.	H	α-helix	trans	-61.8	-45.5	175.8	164.7	74.2	0	0	0	111.6	E128 N130 Y131 E132 K136 Q137 R138 H434 R435	E128-W134 HydrophobicContact CB-CB 4.37Å; E128-W134 HydrophobicContact CG-CB 3.93Å; N130-W134 WeakPolarHBondContact O-CB 3.37Å; N130-W134 PolarHBondContact O-N 2.99Å; Y131-W134 HydrophobicContact CD2-CE3 4.06Å; Y131-W134 HydrophobicContact CD2-CZ3 4.13Å; Y131-W134 HydrophobicContact CE2-CE3 4.14Å; Y131-W134 AromaticContact CE2-CZ3 3.74Å; Y131-W134 HydrophobicContact CE2-CZ3 3.74Å; Y131-W134 PolarHBondContact O-N 3.12Å; E132-W134 PolarHBondContact O-N 2.97Å; W134-K136 VanDerWaalsContact C-N 3.35Å; W134-K136 PolarHBondContact O-N 2.86Å; W134-Q137 PolarHBondContact O-N 3.46Å; W134-R138 HydrophobicContact CD2-CB 4.39Å; W134-R138 HydrophobicContact CH2-CB 4.27Å; W134-R138 HydrophobicContact CH2-CG 3.97Å; W134-R138 HydrophobicContact CZ2-CB 3.78Å; W134-R138 HydrophobicContact CZ2-CG 3.48Å; W134-R138 VanDerWaalsContact CZ2-CG 3.48Å; W134-R138 VanDerWaalsContact O-CB 3.26Å; W134-R138 WeakPolarHBondContact O-CB 3.36Å; W134-R138 PolarHBondContact O-N 3.04Å; W134-H434 HydrophobicContact CH2-CB 3.82Å; W134-H434 WeakPolarHBondContact CH2-O 3.43Å; W134-H434 WeakPolarHBondContact CZ2-O 3.26Å; W134-H434 HydrophobicContact CZ3-CB 4.24Å; W134-H434 AromaticContact CZ3-CD2 3.75Å; W134-R435 VanDerWaalsContact NE1-NE 3.17Å
135	H	98.5	Very high	98.1	Very high	41 Å²	41	53.3 Å²	53.3	19%	0.19	25%	0.246	C	C	.	.	H	α-helix	trans	-67.4	-36.7	-175.2	-179.7	-135.1	0	0	0	111.5	Y131 E132 R138 R139	Y131-H135 HydrophobicContact CD1-CB 4.44Å; Y131-H135 HydrophobicContact CE1-CB 4.19Å; Y131-H135 WeakPolarHBondContact O-CB 3.41Å; Y131-H135 PolarHBondContact O-N 2.91Å; E132-H135 PolarHBondContact O-N 3.29Å; H135-R138 PolarHBondContact O-N 2.54Å; H135-R139 PolarHBondContact CE1-NE 3.47Å; H135-R139 PolarHBondContact CE1-NH2 3.48Å; H135-R139 PolarHBondContact NE2-NE 2.94Å; H135-R139 PolarHBondContact NE2-NH2 3.26Å; H135-R139 WeakPolarHBondContact O-CG 3.49Å; H135-R139 PolarHBondContact O-N 2.76Å
136	K	97.9	Very high	98.1	Very high	144 Å²	144	54.7 Å²	54.7	63%	0.626	26%	0.256	S	S	*	.	H	α-helix	trans	-57.1	-52.7	170.6	-176.3	-175.1	174.9	-170.3	0	111.4	E132 W134	E132-K136 PolarHBondContact O-N 3.02Å; W134-K136 VanDerWaalsContact C-N 3.35Å; W134-K136 PolarHBondContact O-N 2.86Å
137	Q	98	Very high	98	Very high	21 Å²	21	61 Å²	61	10%	0.098	28%	0.275	C	S	.	.	H	α-helix	trans	-62.1	-46.7	177.6	-65.3	176	16.3	0	0	111.3	Q123 L125 R133 W134 R139 V140 I141	Q123-Q137 PolarHBondContact O-NE2 2.84Å; Q123-Q137 VanDerWaalsContact O-NE2 3.12Å; L125-Q137 HydrophobicContact CD1-CB 3.92Å; R133-Q137 PolarHBondContact O-N 3.11Å; W134-Q137 PolarHBondContact O-N 3.46Å; Q137-R139 PolarHBondContact O-N 3.02Å; Q137-V140 PolarHBondContact O-N 3.4Å; Q137-I141 HydrophobicContact CB-CD1 4.26Å; Q137-I141 VanDerWaalsContact O-CG1 3.31Å; Q137-I141 WeakPolarHBondContact O-CG1 3.31Å; Q137-I141 PolarHBondContact O-N 3.26Å
138	R	98.3	Very high	97.9	Very high	34 Å²	34	65.2 Å²	65.2	13%	0.128	30%	0.304	C	S	.	.	H	α-helix	trans	-56.8	-48.5	-176.4	-177.9	66.4	-173.4	-111.8	5.4	112	L125 W134 H135 V140 I141 D142 H434 S436	L125-R138 HydrophobicContact CD1-CB 4.03Å; W134-R138 HydrophobicContact CD2-CB 4.39Å; W134-R138 HydrophobicContact CH2-CB 4.27Å; W134-R138 HydrophobicContact CH2-CG 3.97Å; W134-R138 HydrophobicContact CZ2-CB 3.78Å; W134-R138 HydrophobicContact CZ2-CG 3.48Å; W134-R138 VanDerWaalsContact CZ2-CG 3.48Å; W134-R138 VanDerWaalsContact O-CB 3.26Å; W134-R138 WeakPolarHBondContact O-CB 3.36Å; W134-R138 PolarHBondContact O-N 3.04Å; H135-R138 PolarHBondContact O-N 2.54Å; R138-V140 VanDerWaalsContact C-N 3.29Å; R138-V140 PolarHBondContact O-N 2.96Å; R138-I141 PolarHBondContact O-N 2.87Å; R138-D142 WeakPolarHBondContact CG-OD2 3.33Å; R138-D142 IonicContact CZ-OD1 3.22Å; R138-D142 IonicContact NE-OD1 3Å; R138-D142 PolarHBondContact NE-OD1 3.12Å; R138-D142 IonicContact NE-OD2 3.29Å; R138-D142 PolarHBondContact NE-OD2 3.05Å; R138-D142 IonicContact NH2-OD1 2.65Å; R138-D142 PolarHBondContact NH2-OD1 3.37Å; R138-D142 WeakPolarHBondContact O-CB 3.34Å; R138-D142 PolarHBondContact O-N 3.14Å; R138-H434 PolarHBondContact NH1-O 2.94Å; R138-S436 PolarHBondContact NH1-O 2.79Å
139	R	97.9	Very high	97.8	Very high	166 Å²	166	66.3 Å²	66.3	63%	0.626	31%	0.312	S	S	*	.	H	α-helix	trans	-58	-39.7	-179.8	-78.4	-178.1	174	-168	-5.3	113.2	H135 Q137	H135-R139 PolarHBondContact CE1-NE 3.47Å; H135-R139 PolarHBondContact CE1-NH2 3.48Å; H135-R139 PolarHBondContact NE2-NE 2.94Å; H135-R139 PolarHBondContact NE2-NH2 3.26Å; H135-R139 WeakPolarHBondContact O-CG 3.49Å; H135-R139 PolarHBondContact O-N 2.76Å; Q137-R139 PolarHBondContact O-N 3.02Å
140	V	97.5	Very high	97.8	Very high	35 Å²	35	66.3 Å²	66.3	21%	0.212	31%	0.311	C	S	.	.	H	α-helix	trans	-73.8	-42.9	180	-179.9	0	0	0	0	110.5	Q137 R138 L143 Q278 K281 A282	Q137-V140 PolarHBondContact O-N 3.4Å; R138-V140 VanDerWaalsContact C-N 3.29Å; R138-V140 PolarHBondContact O-N 2.96Å; V140-L143 WeakPolarHBondContact O-CB 3.12Å; V140-L143 PolarHBondContact O-N 3.26Å; V140-Q278 WeakPolarHBondContact CG1-O 3.29Å; V140-Q278 PolarHBondContact O-NE2 3.02Å; V140-K281 HydrophobicContact CG1-CB 3.99Å; V140-K281 HydrophobicContact CG1-CD 4.37Å; V140-K281 HydrophobicContact CG1-CG 4.01Å; V140-A282 HydrophobicContact CB-CB 4.17Å; V140-A282 HydrophobicContact CG1-CB 4.08Å
141	I	97.8	Very high	97.8	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-76.3	-28	-174.9	-58.7	164.1	0	0	0	112.3	L125 Q137 R138 L143 A144 F145 I279 A282 F299 I438	L125-I141 HydrophobicContact CD1-CD1 4.37Å; L125-I141 HydrophobicContact CD2-CD1 4.34Å; Q137-I141 HydrophobicContact CB-CD1 4.26Å; Q137-I141 VanDerWaalsContact O-CG1 3.31Å; Q137-I141 WeakPolarHBondContact O-CG1 3.31Å; Q137-I141 PolarHBondContact O-N 3.26Å; R138-I141 PolarHBondContact O-N 2.87Å; I141-L143 PolarHBondContact O-N 3.47Å; I141-A144 WeakPolarHBondContact O-CB 3.48Å; I141-A144 PolarHBondContact O-N 2.9Å; I141-F145 HydrophobicContact CG2-CD2 4.47Å; I141-F145 HydrophobicContact CG2-CE2 4.04Å; I141-I279 HydrophobicContact CD1-CG1 4.35Å; I141-I279 HydrophobicContact CG1-CG1 4.43Å; I141-A282 HydrophobicContact CG1-CB 4.44Å; I141-F299 HydrophobicContact CD1-CE2 4.17Å; I141-F299 HydrophobicContact CG2-CE1 4.3Å; I141-F299 HydrophobicContact CG2-CE2 4.05Å; I141-F299 HydrophobicContact CG2-CZ 3.52Å; I141-I438 HydrophobicContact CB-CD1 4.37Å; I141-I438 HydrophobicContact CG2-CD1 3.93Å
142	D	97	Very high	97.7	Very high	61 Å²	61	66.4 Å²	66.4	33%	0.326	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-54.1	-27.7	174.7	-81.2	-28.7	0	0	0	112.7	R138 A144 F145 I438	R138-D142 WeakPolarHBondContact CG-OD2 3.33Å; R138-D142 IonicContact CZ-OD1 3.22Å; R138-D142 IonicContact NE-OD1 3Å; R138-D142 PolarHBondContact NE-OD1 3.12Å; R138-D142 IonicContact NE-OD2 3.29Å; R138-D142 PolarHBondContact NE-OD2 3.05Å; R138-D142 IonicContact NH2-OD1 2.65Å; R138-D142 PolarHBondContact NH2-OD1 3.37Å; R138-D142 WeakPolarHBondContact O-CB 3.34Å; R138-D142 PolarHBondContact O-N 3.14Å; D142-A144 PolarHBondContact O-N 2.86Å; D142-F145 CarbonylContact O-C 3.49Å; D142-F145 PolarHBondContact O-N 2.72Å; D142-I438 VanDerWaalsContact OD1-CD1 3.31Å; D142-I438 WeakPolarHBondContact OD1-CD1 3.35Å
143	L	97.4	Very high	97.7	Very high	104 Å²	104	61.6 Å²	61.6	55%	0.545	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-61.5	-30.8	176.9	-61.2	176.6	0	0	0	113	V140 I141 F145 S149 Q278	V140-L143 WeakPolarHBondContact O-CB 3.12Å; V140-L143 PolarHBondContact O-N 3.26Å; I141-L143 PolarHBondContact O-N 3.47Å; L143-F145 PolarHBondContact O-N 2.93Å; L143-S149 PolarHBondContact O-OG 3.1Å; L143-Q278 HydrophobicContact CB-CG 4.31Å
144	A	97.2	Very high	97.7	Very high	10 Å²	10	55.5 Å²	55.5	8%	0.083	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-74	-12.6	176	0	0	0	0	0	113.2	I141 D142 S149 I275 Q278	I141-A144 WeakPolarHBondContact O-CB 3.48Å; I141-A144 PolarHBondContact O-N 2.9Å; D142-A144 PolarHBondContact O-N 2.86Å; A144-S149 VanDerWaalsContact O-CB 3.24Å; A144-S149 WeakPolarHBondContact O-CB 3.48Å; A144-I275 HydrophobicContact CB-CB 4.39Å; A144-I275 HydrophobicContact CB-CG1 3.78Å; A144-Q278 HydrophobicContact CB-CB 4.25Å; A144-Q278 HydrophobicContact CB-CG 3.7Å
145	F	97.8	Very high	97.7	Very high	29 Å²	29	61.3 Å²	61.3	13%	0.127	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-111.4	19.5	-178.9	-65.3	-89.8	0	0	0	112	I141 D142 L143 L150 I275 F299 I438 F442	I141-F145 HydrophobicContact CG2-CD2 4.47Å; I141-F145 HydrophobicContact CG2-CE2 4.04Å; D142-F145 CarbonylContact O-C 3.49Å; D142-F145 PolarHBondContact O-N 2.72Å; L143-F145 PolarHBondContact O-N 2.93Å; F145-L150 HydrophobicContact CD1-CD2 4.25Å; F145-I275 HydrophobicContact CE1-CD1 4.06Å; F145-I275 HydrophobicContact CE2-CD1 4.09Å; F145-I275 HydrophobicContact CE2-CG1 3.94Å; F145-I275 HydrophobicContact CZ-CD1 3.46Å; F145-I275 VanDerWaalsContact CZ-CD1 3.46Å; F145-I275 HydrophobicContact CZ-CG1 3.85Å; F145-F299 AromaticContact CE2-CE1 3.76Å; F145-F299 HydrophobicContact CE2-CE1 3.76Å; F145-F299 HydrophobicContact CE2-CZ 4.34Å; F145-F299 HydrophobicContact CZ-CD1 4.26Å; F145-F299 AromaticContact CZ-CE1 3.65Å; F145-F299 HydrophobicContact CZ-CE1 3.65Å; F145-I438 HydrophobicContact CB-CG1 4.46Å; F145-I438 HydrophobicContact CD2-CD1 3.61Å; F145-I438 HydrophobicContact CD2-CG1 3.65Å; F145-I438 HydrophobicContact CE2-CD1 3.82Å; F145-I438 HydrophobicContact CE2-CG1 4Å; F145-I438 HydrophobicContact CE2-CG2 4.37Å; F145-I438 HydrophobicContact CG-CD1 4.41Å; F145-I438 HydrophobicContact CG-CG1 3.97Å; F145-I438 HydrophobicContact CZ-CG2 4.39Å; F145-F442 HydrophobicContact CD1-CB 4.46Å; F145-F442 HydrophobicContact CE1-CB 4.29Å
146	S	97.7	Very high	97.7	Very high	40 Å²	40	60.1 Å²	60.1	28%	0.28	30%	0.303	S	S	.	.	S	Bend	trans	-61.2	156.4	171.4	81.3	0	0	0	0	110.9	S148 S149 L150	S146-S148 VanDerWaalsContact C-N 3.28Å; S146-S148 PolarHBondContact O-N 3.18Å; S146-S148 PolarHBondContact OG-OG 3.1Å; S146-S148 VanDerWaalsContact OG-OG 3.08Å; S146-S149 WeakPolarHBondContact O-CB 3.08Å; S146-S149 PolarHBondContact O-N 3.47Å; S146-S149 VanDerWaalsContact O-N 3.14Å; S146-S149 WeakPolarHBondContact OG-CB 3.47Å; S146-S149 PolarHBondContact OG-N 3.03Å; S146-S149 PolarHBondContact OG-OG 2.94Å; S146-L150 WeakPolarHBondContact O-CG 3.45Å; S146-L150 PolarHBondContact O-N 3Å
147	R	96.6	Very high	97.8	Very high	180 Å²	180	53.3 Å²	53.3	68%	0.679	27%	0.273	S	S	*	.	H	α-helix	trans	-55.2	-43.9	178.7	179.9	-178.8	172.3	111.4	-4.5	111.9	L150 V151	R147-L150 PolarHBondContact O-N 3.23Å; R147-V151 HydrophobicContact CG-CG2 4.33Å; R147-V151 VanDerWaalsContact O-CG2 3.24Å; R147-V151 WeakPolarHBondContact O-CG2 3.33Å; R147-V151 PolarHBondContact O-N 3.1Å
148	S	96.8	Very high	97.8	Very high	89 Å²	89	52.5 Å²	52.5	62%	0.622	27%	0.269	S	S	*	.	H	α-helix	trans	-64.3	-42.9	178.7	45.8	0	0	0	0	111.7	S146 L150 V151 S152	S146-S148 VanDerWaalsContact C-N 3.28Å; S146-S148 PolarHBondContact O-N 3.18Å; S146-S148 PolarHBondContact OG-OG 3.1Å; S146-S148 VanDerWaalsContact OG-OG 3.08Å; S148-L150 VanDerWaalsContact C-N 3.31Å; S148-L150 PolarHBondContact O-N 2.72Å; S148-V151 PolarHBondContact O-N 2.73Å; S148-S152 PolarHBondContact O-N 2.76Å; S148-S152 PolarHBondContact O-OG 2.81Å
149	S	97.3	Very high	97.8	Very high	26 Å²	26	54.9 Å²	54.9	18%	0.182	28%	0.282	C	S	.	.	H	α-helix	trans	-58.8	-41.9	175	-56.2	0	0	0	0	111.8	L143 A144 S146 S152 L153	L143-S149 PolarHBondContact O-OG 3.1Å; A144-S149 VanDerWaalsContact O-CB 3.24Å; A144-S149 WeakPolarHBondContact O-CB 3.48Å; S146-S149 WeakPolarHBondContact O-CB 3.08Å; S146-S149 PolarHBondContact O-N 3.47Å; S146-S149 VanDerWaalsContact O-N 3.14Å; S146-S149 WeakPolarHBondContact OG-CB 3.47Å; S146-S149 PolarHBondContact OG-N 3.03Å; S146-S149 PolarHBondContact OG-OG 2.94Å; S149-S152 PolarHBondContact O-OG 3.15Å; S149-L153 VanDerWaalsContact O-CG 3.29Å; S149-L153 WeakPolarHBondContact O-CG 3.24Å
150	L	97.5	Very high	97.9	Very high	10 Å²	10	47.2 Å²	47.2	5%	0.052	25%	0.253	C	S	.	.	H	α-helix	trans	-71.6	-38.7	178.9	-64.3	179.8	0	0	0	112.8	F145 S146 R147 S148 S152 L153 Q441 F442 M445	F145-L150 HydrophobicContact CD1-CD2 4.25Å; S146-L150 WeakPolarHBondContact O-CG 3.45Å; S146-L150 PolarHBondContact O-N 3Å; R147-L150 PolarHBondContact O-N 3.23Å; S148-L150 VanDerWaalsContact C-N 3.31Å; S148-L150 PolarHBondContact O-N 2.72Å; L150-S152 VanDerWaalsContact C-N 3.31Å; L150-S152 PolarHBondContact O-N 3.18Å; L150-L153 HydrophobicContact CD2-CD1 4.3Å; L150-L153 WeakPolarHBondContact O-CB 3.48Å; L150-L153 PolarHBondContact O-N 2.94Å; L150-L153 VanDerWaalsContact O-N 3.11Å; L150-Q441 HydrophobicContact CD1-CB 3.53Å; L150-F442 HydrophobicContact CD2-CB 3.87Å; L150-F442 HydrophobicContact CD2-CD2 4.08Å; L150-F442 HydrophobicContact CD2-CG 4.49Å; L150-M445 HydrophobicContact CB-CE 4.11Å; L150-M445 HydrophobicContact CB-SD 3.85Å; L150-M445 HydrophobicContact CD1-SD 4.32Å; L150-M445 VanDerWaalsContact O-CE 3.29Å; L150-M445 WeakPolarHBondContact O-CE 3.49Å
151	V	98.1	Very high	98	Very high	55 Å²	55	45.5 Å²	45.5	33%	0.333	24%	0.243	S	C	.	.	H	α-helix	trans	-62.9	-38.6	177.5	170.8	0	0	0	0	111	R147 S148 L153 M154 F344	R147-V151 HydrophobicContact CG-CG2 4.33Å; R147-V151 VanDerWaalsContact O-CG2 3.24Å; R147-V151 WeakPolarHBondContact O-CG2 3.33Å; R147-V151 PolarHBondContact O-N 3.1Å; S148-V151 PolarHBondContact O-N 2.73Å; V151-L153 PolarHBondContact O-N 3.28Å; V151-M154 WeakPolarHBondContact O-CB 3.06Å; V151-M154 VanDerWaalsContact O-CG 3.32Å; V151-M154 WeakPolarHBondContact O-CG 3.43Å; V151-M154 PolarHBondContact O-N 3.38Å; V151-F344 HydrophobicContact CG1-CB 4.47Å; V151-F344 HydrophobicContact CG2-CB 4.38Å; V151-F344 HydrophobicContact CG2-CD1 4.18Å; V151-F344 HydrophobicContact CG2-CD2 3.76Å; V151-F344 HydrophobicContact CG2-CE1 4.46Å; V151-F344 HydrophobicContact CG2-CE2 4.05Å; V151-F344 HydrophobicContact CG2-CG 3.82Å; V151-F344 HydrophobicContact CG2-CZ 4.39Å
152	S	97.4	Very high	98	Very high	81 Å²	81	46.2 Å²	46.2	57%	0.566	25%	0.246	S	C	*	.	H	α-helix	trans	-64.5	-18.7	175.8	51.6	0	0	0	0	113.9	S148 S149 L150 M154	S148-S152 PolarHBondContact O-N 2.76Å; S148-S152 PolarHBondContact O-OG 2.81Å; S149-S152 PolarHBondContact O-OG 3.15Å; L150-S152 VanDerWaalsContact C-N 3.31Å; L150-S152 PolarHBondContact O-N 3.18Å; S152-M154 VanDerWaalsContact C-N 3.31Å
153	L	98.5	Very high	98.1	Very high	25 Å²	25	45.2 Å²	45.2	13%	0.131	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-6.8	179.4	-58.6	170.6	0	0	0	113.1	S149 L150 V151 E155 T156 F157 A195 F442	S149-L153 VanDerWaalsContact O-CG 3.29Å; S149-L153 WeakPolarHBondContact O-CG 3.24Å; L150-L153 HydrophobicContact CD2-CD1 4.3Å; L150-L153 WeakPolarHBondContact O-CB 3.48Å; L150-L153 PolarHBondContact O-N 2.94Å; L150-L153 VanDerWaalsContact O-N 3.11Å; V151-L153 PolarHBondContact O-N 3.28Å; L153-E155 PolarHBondContact O-N 3.43Å; L153-E155 VanDerWaalsContact O-N 3.17Å; L153-T156 PolarHBondContact O-N 3.33Å; L153-T156 VanDerWaalsContact O-N 3.14Å; L153-F157 HydrophobicContact CB-CD2 4.5Å; L153-F157 HydrophobicContact CB-CE1 4.21Å; L153-F157 HydrophobicContact CB-CE2 3.92Å; L153-F157 HydrophobicContact CB-CZ 3.76Å; L153-F157 WeakPolarHBondContact O-CD2 3.37Å; L153-F157 VanDerWaalsContact O-CG 3.28Å; L153-F157 WeakPolarHBondContact O-CG 3.42Å; L153-F157 PolarHBondContact O-N 3.21Å; L153-A195 HydrophobicContact CD1-CB 4.36Å; L153-A195 HydrophobicContact CD2-CB 3.75Å; L153-A195 HydrophobicContact CG-CB 4.49Å; L153-F442 HydrophobicContact CD1-CD2 3.8Å; L153-F442 HydrophobicContact CD1-CE2 3.71Å
154	M	98.6	Very high	98.2	Very high	4 Å²	4	40.3 Å²	40.3	2%	0.02	21%	0.214	C	C	.	.	H	α-helix	trans	-55.8	-31.8	175	-72.5	-60.4	-59	0	0	112	V151 S152 F157 N158 Y341 L342 F344 L347 M445 V449	V151-M154 WeakPolarHBondContact O-CB 3.06Å; V151-M154 VanDerWaalsContact O-CG 3.32Å; V151-M154 WeakPolarHBondContact O-CG 3.43Å; V151-M154 PolarHBondContact O-N 3.38Å; S152-M154 VanDerWaalsContact C-N 3.31Å; M154-F157 PolarHBondContact O-N 3.17Å; M154-F157 HydrophobicContact SD-CD2 4.06Å; M154-N158 WeakPolarHBondContact O-CB 3.45Å; M154-N158 PolarHBondContact O-N 2.84Å; M154-N158 PolarHBondContact O-ND2 2.76Å; M154-Y341 VanDerWaalsContact C-OH 3.25Å; M154-L342 WeakPolarHBondContact CE-O 3.48Å; M154-F344 HydrophobicContact CG-CB 4.24Å; M154-L347 HydrophobicContact CE-CD1 3.8Å; M154-L347 HydrophobicContact CE-CD2 4.43Å; M154-L347 HydrophobicContact CE-CG 4.1Å; M154-L347 HydrophobicContact SD-CD1 3.67Å; M154-M445 HydrophobicContact CG-CE 4.11Å; M154-M445 HydrophobicContact SD-CE 3.58Å; M154-M445 VanDerWaalsContact SD-CE 3.58Å; M154-V449 HydrophobicContact CE-CG2 3.75Å; M154-V449 HydrophobicContact SD-CG2 4.39Å
155	E	98.4	Very high	98.2	Very high	133 Å²	133	39.9 Å²	39.9	62%	0.621	21%	0.21	S	C	*	.	H	α-helix	trans	-63	-53.5	176.4	-175.1	176.1	-175.5	0	0	111	L153 F157 N158 E159 Y341	L153-E155 PolarHBondContact O-N 3.43Å; L153-E155 VanDerWaalsContact O-N 3.17Å; E155-F157 VanDerWaalsContact C-N 3.33Å; E155-F157 PolarHBondContact O-N 2.95Å; E155-N158 PolarHBondContact O-N 2.9Å; E155-E159 WeakPolarHBondContact O-CB 3.48Å; E155-E159 PolarHBondContact O-N 3.19Å; E155-Y341 WeakPolarHBondContact CA-OH 3.49Å; E155-Y341 PolarHBondContact N-OH 3.36Å; E155-Y341 VanDerWaalsContact N-OH 3.13Å
156	T	98.8	Very high	98.3	Very high	16 Å²	16	42.4 Å²	42.4	10%	0.098	22%	0.222	C	C	.	.	H	α-helix	trans	-60.3	-41.1	177.2	-58.7	0	0	0	0	112.1	L153 E159 K160 K194 A195	L153-T156 PolarHBondContact O-N 3.33Å; L153-T156 VanDerWaalsContact O-N 3.14Å; T156-E159 PolarHBondContact O-N 2.99Å; T156-K160 HydrophobicContact CG2-CG 4.48Å; T156-K160 WeakPolarHBondContact O-CG 3.26Å; T156-K160 PolarHBondContact O-N 3.2Å; T156-K160 VanDerWaalsContact O-N 3.12Å; T156-K194 HydrophobicContact CG2-CB 3.76Å; T156-K194 HydrophobicContact CG2-CG 3.62Å; T156-A195 HydrophobicContact CG2-CB 4.31Å
157	F	98.8	Very high	98.3	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-62	-46.6	177.3	-60.2	-26.6	0	0	0	111.7	L153 M154 E155 A161 I191 F442 M445 E446 V449	L153-F157 HydrophobicContact CB-CD2 4.5Å; L153-F157 HydrophobicContact CB-CE1 4.21Å; L153-F157 HydrophobicContact CB-CE2 3.92Å; L153-F157 HydrophobicContact CB-CZ 3.76Å; L153-F157 WeakPolarHBondContact O-CD2 3.37Å; L153-F157 VanDerWaalsContact O-CG 3.28Å; L153-F157 WeakPolarHBondContact O-CG 3.42Å; L153-F157 PolarHBondContact O-N 3.21Å; M154-F157 PolarHBondContact O-N 3.17Å; M154-F157 HydrophobicContact SD-CD2 4.06Å; E155-F157 VanDerWaalsContact C-N 3.33Å; E155-F157 PolarHBondContact O-N 2.95Å; F157-A161 WeakPolarHBondContact O-CB 3.46Å; F157-A161 PolarHBondContact O-N 3.4Å; F157-I191 HydrophobicContact CD1-CD1 4.43Å; F157-I191 HydrophobicContact CD1-CG2 3.53Å; F157-I191 HydrophobicContact CE1-CG2 3.52Å; F157-F442 HydrophobicContact CE1-CD2 4.3Å; F157-F442 HydrophobicContact CE1-CE1 4.27Å; F157-F442 AromaticContact CE1-CE2 3.7Å; F157-F442 HydrophobicContact CE1-CE2 3.7Å; F157-F442 AromaticContact CE1-CZ 3.68Å; F157-F442 HydrophobicContact CE1-CZ 3.68Å; F157-F442 AromaticContact CZ-CD2 3.75Å; F157-F442 HydrophobicContact CZ-CD2 3.75Å; F157-F442 HydrophobicContact CZ-CE1 4.45Å; F157-F442 AromaticContact CZ-CE2 3.6Å; F157-F442 HydrophobicContact CZ-CE2 3.6Å; F157-F442 HydrophobicContact CZ-CG 4.24Å; F157-F442 AromaticContact CZ-CZ 3.97Å; F157-F442 HydrophobicContact CZ-CZ 3.97Å; F157-M445 HydrophobicContact CD2-CB 4.25Å; F157-M445 HydrophobicContact CE2-CB 3.81Å; F157-M445 HydrophobicContact CE2-CE 4.14Å; F157-E446 HydrophobicContact CD1-CB 3.81Å; F157-E446 HydrophobicContact CD2-CB 4.49Å; F157-E446 HydrophobicContact CE1-CB 3.76Å; F157-E446 HydrophobicContact CE2-CB 4.44Å; F157-E446 HydrophobicContact CG-CB 4.19Å; F157-E446 HydrophobicContact CZ-CB 4.09Å; F157-V449 HydrophobicContact CB-CB 4.18Å; F157-V449 HydrophobicContact CB-CG1 4.08Å; F157-V449 HydrophobicContact CB-CG2 4.11Å
158	N	98.9	Very high	98.4	Very high	4 Å²	4	33.5 Å²	33.5	2%	0.021	19%	0.185	C	C	.	.	H	α-helix	trans	-65.8	-44	178.8	-84.2	-75.8	0	0	0	111.9	M154 E155 A161 E162 Y341 L342	M154-N158 WeakPolarHBondContact O-CB 3.45Å; M154-N158 PolarHBondContact O-N 2.84Å; M154-N158 PolarHBondContact O-ND2 2.76Å; E155-N158 PolarHBondContact O-N 2.9Å; N158-A161 PolarHBondContact O-N 3.34Å; N158-E162 VanDerWaalsContact O-CB 3.25Å; N158-E162 WeakPolarHBondContact O-CB 2.99Å; N158-E162 PolarHBondContact O-N 3.14Å; N158-Y341 HydrophobicContact CB-CD2 3.52Å; N158-Y341 HydrophobicContact CB-CE2 3.5Å; N158-Y341 VanDerWaalsContact CB-CE2 3.5Å; N158-Y341 HydrophobicContact CB-CG 4.37Å; N158-Y341 WeakPolarHBondContact ND2-CE2 3.24Å; N158-L342 PolarHBondContact ND2-O 2.9Å; N158-L342 PolarHBondContact OD1-N 2.88Å
159	E	98.8	Very high	98.5	Very high	84 Å²	84	32.3 Å²	32.3	39%	0.393	17%	0.169	S	C	.	.	H	α-helix	trans	-57	-54.3	-179.9	-173.1	-157.5	151.9	0	0	111.2	E155 T156 E162 Q163	E155-E159 WeakPolarHBondContact O-CB 3.48Å; E155-E159 PolarHBondContact O-N 3.19Å; T156-E159 PolarHBondContact O-N 2.99Å; E159-E162 PolarHBondContact O-N 3.21Å; E159-Q163 WeakPolarHBondContact O-CB 3.25Å; E159-Q163 PolarHBondContact O-N 3.37Å
160	K	98.9	Very high	98.5	Very high	5 Å²	5	35.4 Å²	35.4	2%	0.022	20%	0.197	C	C	.	.	H	α-helix	trans	-73.2	-31.5	-176.5	-56.5	-47.6	-178.9	-165.8	0	112.5	T156 L164 T187 D190 I191 E200	T156-K160 HydrophobicContact CG2-CG 4.48Å; T156-K160 WeakPolarHBondContact O-CG 3.26Å; T156-K160 PolarHBondContact O-N 3.2Å; T156-K160 VanDerWaalsContact O-N 3.12Å; K160-L164 WeakPolarHBondContact O-CB 3.32Å; K160-L164 PolarHBondContact O-N 2.78Å; K160-T187 HydrophobicContact CB-CG2 4.45Å; K160-D190 HydrophobicContact CD-CB 4.21Å; K160-D190 HydrophobicContact CG-CB 4.34Å; K160-I191 HydrophobicContact CB-CD1 4.21Å; K160-I191 HydrophobicContact CB-CG1 3.52Å; K160-I191 HydrophobicContact CG-CG1 3.8Å; K160-E200 IonicContact NZ-OE1 3.7Å; K160-E200 IonicContact NZ-OE2 2.79Å; K160-E200 PolarHBondContact NZ-OE2 3.12Å
161	A	98.9	Very high	98.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-70	-37.8	174	0	0	0	0	0	112.3	F157 N158 L164 V165 V449 V450 K453	F157-A161 WeakPolarHBondContact O-CB 3.46Å; F157-A161 PolarHBondContact O-N 3.4Å; N158-A161 PolarHBondContact O-N 3.34Å; A161-L164 PolarHBondContact O-N 3.17Å; A161-V165 WeakPolarHBondContact O-CG2 3.4Å; A161-V165 PolarHBondContact O-N 3Å; A161-V165 VanDerWaalsContact O-N 3.13Å; A161-V449 HydrophobicContact CB-CG1 3.88Å; A161-V450 HydrophobicContact CB-CG2 3.94Å; A161-K453 HydrophobicContact CB-CD 3.6Å
162	E	98.8	Very high	98.5	Very high	15 Å²	15	37 Å²	37	7%	0.07	20%	0.201	C	C	.	.	H	α-helix	trans	-65.6	-46.9	173.4	-175.8	63.4	-165.9	0	0	110.8	N158 E159 L164 V165 E166 R340 K453 R457	N158-E162 VanDerWaalsContact O-CB 3.25Å; N158-E162 WeakPolarHBondContact O-CB 2.99Å; N158-E162 PolarHBondContact O-N 3.14Å; E159-E162 PolarHBondContact O-N 3.21Å; E162-L164 VanDerWaalsContact C-N 3.28Å; E162-L164 PolarHBondContact O-N 3.11Å; E162-V165 PolarHBondContact O-N 3.25Å; E162-E166 HydrophobicContact CG-CG 4.49Å; E162-E166 WeakPolarHBondContact CG-OE1 3.5Å; E162-E166 WeakPolarHBondContact O-CG 3.45Å; E162-E166 PolarHBondContact O-N 3.47Å; E162-R340 VanDerWaalsContact CD-NE 3.33Å; E162-R340 HydrophobicContact CG-CG 4.49Å; E162-R340 IonicContact OE1-CZ 2.75Å; E162-R340 IonicContact OE1-NE 2.79Å; E162-R340 PolarHBondContact OE1-NE 3.2Å; E162-R340 IonicContact OE1-NH2 2.71Å; E162-R340 PolarHBondContact OE1-NH2 3.47Å; E162-K453 IonicContact OE2-NZ 3.41Å; E162-K453 PolarHBondContact OE2-NZ 3.02Å; E162-R457 IonicContact OE1-CZ 3.54Å; E162-R457 IonicContact OE1-NH1 2.8Å; E162-R457 PolarHBondContact OE1-NH1 3.08Å; E162-R457 IonicContact OE1-NH2 3.33Å; E162-R457 PolarHBondContact OE1-NH2 2.87Å; E162-R457 IonicContact OE2-NH1 3.46Å; E162-R457 PolarHBondContact OE2-NH1 3.3Å
163	Q	98.8	Very high	98.5	Very high	40 Å²	40	36.2 Å²	36.2	19%	0.187	19%	0.19	C	C	.	.	H	α-helix	trans	-57.6	-41.3	176.2	-177.5	175.3	61.8	0	0	112	E159 I167 L204	E159-Q163 WeakPolarHBondContact O-CB 3.25Å; E159-Q163 PolarHBondContact O-N 3.37Å; Q163-I167 HydrophobicContact CG-CD1 3.95Å; Q163-I167 WeakPolarHBondContact O-CD1 3.43Å; Q163-I167 VanDerWaalsContact O-CG1 3.25Å; Q163-I167 WeakPolarHBondContact O-CG1 3.3Å; Q163-I167 PolarHBondContact O-N 3.41Å; Q163-I167 VanDerWaalsContact O-N 3.13Å; Q163-L204 HydrophobicContact CB-CD1 4.39Å; Q163-L204 HydrophobicContact CG-CB 4.5Å; Q163-L204 HydrophobicContact CG-CD1 4.22Å
164	L	98.9	Very high	98.4	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-56.7	-52	172.6	169.5	65.5	0	0	0	111.2	K160 A161 E162 E166 I167 L168 M183 L184 T187 L204 V450 L454	K160-L164 WeakPolarHBondContact O-CB 3.32Å; K160-L164 PolarHBondContact O-N 2.78Å; A161-L164 PolarHBondContact O-N 3.17Å; E162-L164 VanDerWaalsContact C-N 3.28Å; E162-L164 PolarHBondContact O-N 3.11Å; L164-E166 PolarHBondContact O-N 2.88Å; L164-I167 PolarHBondContact O-N 3.49Å; L164-L168 HydrophobicContact CD1-CD1 3.74Å; L164-L168 HydrophobicContact CD1-CG 3.97Å; L164-L168 HydrophobicContact CG-CD1 3.92Å; L164-L168 HydrophobicContact CG-CG 4.44Å; L164-L168 WeakPolarHBondContact O-CB 3.4Å; L164-L168 VanDerWaalsContact O-CG 3.28Å; L164-L168 WeakPolarHBondContact O-CG 3.49Å; L164-L168 PolarHBondContact O-N 3.29Å; L164-M183 HydrophobicContact CD1-CB 3.97Å; L164-M183 HydrophobicContact CD1-CE 3.73Å; L164-L184 HydrophobicContact CD2-CD2 4.08Å; L164-T187 HydrophobicContact CB-CG2 4.36Å; L164-T187 HydrophobicContact CD2-CG2 4.21Å; L164-T187 WeakPolarHBondContact CD2-OG1 3.35Å; L164-L204 HydrophobicContact CB-CD1 4.39Å; L164-L204 HydrophobicContact CB-CD2 4.37Å; L164-L204 HydrophobicContact CD1-CD2 4Å; L164-V450 HydrophobicContact CD2-CG1 3.92Å; L164-L454 HydrophobicContact CD2-CD1 4.48Å; L164-L454 HydrophobicContact CD2-CD2 4.02Å; L164-L454 HydrophobicContact CG-CD2 4.39Å
165	V	98.8	Very high	98.3	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-61.9	-43.6	-177	170.8	0	0	0	0	111.3	A161 E162 I167 L168 E169 K453 L454 R457 L458	A161-V165 WeakPolarHBondContact O-CG2 3.4Å; A161-V165 PolarHBondContact O-N 3Å; A161-V165 VanDerWaalsContact O-N 3.13Å; E162-V165 PolarHBondContact O-N 3.25Å; V165-I167 VanDerWaalsContact C-N 3.35Å; V165-I167 PolarHBondContact O-N 2.8Å; V165-L168 CarbonylContact O-C 3.56Å; V165-L168 PolarHBondContact O-N 2.9Å; V165-L168 VanDerWaalsContact O-N 3.12Å; V165-E169 HydrophobicContact CG1-CG 4.2Å; V165-E169 WeakPolarHBondContact O-CG 3.39Å; V165-E169 PolarHBondContact O-N 3.46Å; V165-K453 HydrophobicContact CG2-CB 3.93Å; V165-L454 HydrophobicContact CG2-CD2 4.01Å; V165-R457 HydrophobicContact CG1-CB 3.67Å; V165-R457 HydrophobicContact CG1-CG 3.93Å; V165-L458 HydrophobicContact CG1-CD1 4.2Å
166	E	98.6	Very high	98.3	Very high	82 Å²	82	39.2 Å²	39.2	38%	0.383	21%	0.213	S	C	.	.	H	α-helix	trans	-59.9	-43.2	177.8	-70.4	172.5	-175.2	0	0	112.3	E162 L164 L168 E169 A170 R340	E162-E166 HydrophobicContact CG-CG 4.49Å; E162-E166 WeakPolarHBondContact CG-OE1 3.5Å; E162-E166 WeakPolarHBondContact O-CG 3.45Å; E162-E166 PolarHBondContact O-N 3.47Å; L164-E166 PolarHBondContact O-N 2.88Å; E166-L168 VanDerWaalsContact C-N 3.29Å; E166-L168 PolarHBondContact O-N 2.75Å; E166-E169 PolarHBondContact O-N 3.46Å; E166-A170 PolarHBondContact O-N 3.36Å; E166-A170 VanDerWaalsContact O-N 3.11Å; E166-R340 IonicContact OE1-CZ 3.35Å; E166-R340 IonicContact OE1-NH2 3.23Å; E166-R340 PolarHBondContact OE1-NH2 3.18Å
167	I	98.8	Very high	98.3	Very high	34 Å²	34	42.3 Å²	42.3	17%	0.174	23%	0.233	C	C	.	.	H	α-helix	trans	-63.3	-38.3	176.2	-68.7	163	0	0	0	111.1	Q163 L164 V165 M183 L204 L205	Q163-I167 HydrophobicContact CG-CD1 3.95Å; Q163-I167 WeakPolarHBondContact O-CD1 3.43Å; Q163-I167 VanDerWaalsContact O-CG1 3.25Å; Q163-I167 WeakPolarHBondContact O-CG1 3.3Å; Q163-I167 PolarHBondContact O-N 3.41Å; Q163-I167 VanDerWaalsContact O-N 3.13Å; L164-I167 PolarHBondContact O-N 3.49Å; V165-I167 VanDerWaalsContact C-N 3.35Å; V165-I167 PolarHBondContact O-N 2.8Å; I167-M183 HydrophobicContact CB-CE 4.37Å; I167-M183 HydrophobicContact CG2-CE 3.68Å; I167-L204 HydrophobicContact CD1-CB 3.79Å; I167-L204 HydrophobicContact CD1-CD2 4.27Å; I167-L204 WeakPolarHBondContact CD1-O 3.12Å; I167-L205 HydrophobicContact CD1-CD2 4.5Å
168	L	98.7	Very high	98.3	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-72.8	-39	179.4	-72.2	-179.6	0	0	0	112.3	L164 V165 E166 A170 K171 A172 V178 M180 M183 L454 L458 F460 L486	L164-L168 HydrophobicContact CD1-CD1 3.74Å; L164-L168 HydrophobicContact CD1-CG 3.97Å; L164-L168 HydrophobicContact CG-CD1 3.92Å; L164-L168 HydrophobicContact CG-CG 4.44Å; L164-L168 WeakPolarHBondContact O-CB 3.4Å; L164-L168 VanDerWaalsContact O-CG 3.28Å; L164-L168 WeakPolarHBondContact O-CG 3.49Å; L164-L168 PolarHBondContact O-N 3.29Å; V165-L168 CarbonylContact O-C 3.56Å; V165-L168 PolarHBondContact O-N 2.9Å; V165-L168 VanDerWaalsContact O-N 3.12Å; E166-L168 VanDerWaalsContact C-N 3.29Å; E166-L168 PolarHBondContact O-N 2.75Å; L168-A170 VanDerWaalsContact C-N 3.32Å; L168-A170 PolarHBondContact O-N 2.87Å; L168-K171 CarbonylContact O-C 3.45Å; L168-K171 WeakPolarHBondContact O-CA 3.13Å; L168-K171 PolarHBondContact O-N 3.2Å; L168-A172 PolarHBondContact O-N 3.27Å; L168-A172 VanDerWaalsContact O-N 3.12Å; L168-V178 HydrophobicContact CD2-CG1 3.86Å; L168-M180 HydrophobicContact CD1-CE 3.93Å; L168-M180 HydrophobicContact CD1-SD 4.36Å; L168-M180 HydrophobicContact CD2-SD 4.16Å; L168-M183 HydrophobicContact CD2-CE 4.25Å; L168-M183 HydrophobicContact CD2-CG 4.14Å; L168-L454 HydrophobicContact CD1-CD2 3.59Å; L168-L458 HydrophobicContact CB-CD1 3.56Å; L168-L458 HydrophobicContact CD1-CD1 3.95Å; L168-L458 HydrophobicContact CG-CD1 4.44Å; L168-F460 HydrophobicContact CD1-CE1 4.44Å; L168-L486 HydrophobicContact CB-CD2 3.91Å; L168-L486 HydrophobicContact CD1-CD2 4.17Å; L168-L486 HydrophobicContact CD2-CD2 3.95Å; L168-L486 HydrophobicContact CG-CD2 4.23Å
169	E	98.4	Very high	98.3	Very high	63 Å²	63	43.6 Å²	43.6	29%	0.294	24%	0.242	S	C	.	.	H	α-helix	trans	-61.6	-39.7	174.2	-77.7	179.5	148.1	0	0	112.1	V165 E166 K171 A172 R457 L458	V165-E169 HydrophobicContact CG1-CG 4.2Å; V165-E169 WeakPolarHBondContact O-CG 3.39Å; V165-E169 PolarHBondContact O-N 3.46Å; E166-E169 PolarHBondContact O-N 3.46Å; E169-K171 PolarHBondContact O-N 2.73Å; E169-A172 WeakPolarHBondContact O-CB 3.5Å; E169-A172 PolarHBondContact O-N 3.03Å; E169-R457 VanDerWaalsContact CD-NH2 3.35Å; E169-R457 IonicContact OE1-CZ 3.47Å; E169-R457 IonicContact OE1-NE 2.71Å; E169-R457 PolarHBondContact OE1-NE 3.34Å; E169-R457 IonicContact OE1-NH2 3.43Å; E169-R457 PolarHBondContact OE1-NH2 3.34Å; E169-R457 IonicContact OE2-CZ 3.51Å; E169-R457 IonicContact OE2-NE 3.58Å; E169-R457 IonicContact OE2-NH2 2.68Å; E169-R457 PolarHBondContact OE2-NH2 3.26Å; E169-L458 HydrophobicContact CG-CD2 3.78Å; E169-L458 HydrophobicContact CG-CG 4.32Å
170	A	98.1	Very high	98.3	Very high	92 Å²	92	39.6 Å²	39.6	76%	0.76	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-13.5	173.5	0	0	0	0	0	113.5	E166 L168	E166-A170 PolarHBondContact O-N 3.36Å; E166-A170 VanDerWaalsContact O-N 3.11Å; L168-A170 VanDerWaalsContact C-N 3.32Å; L168-A170 PolarHBondContact O-N 2.87Å
171	K	97.9	Very high	98.3	Very high	88 Å²	88	40 Å²	40	38%	0.383	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.6	6.8	177.9	-62	169.2	-178	-70.6	0	112.5	L168 E169 D173 V178	L168-K171 CarbonylContact O-C 3.45Å; L168-K171 WeakPolarHBondContact O-CA 3.13Å; L168-K171 PolarHBondContact O-N 3.2Å; E169-K171 PolarHBondContact O-N 2.73Å; K171-D173 VanDerWaalsContact C-N 3.26Å; K171-D173 PolarHBondContact O-N 3.4Å; K171-V178 HydrophobicContact CB-CG2 4.09Å; K171-V178 HydrophobicContact CD-CG2 3.94Å
172	A	97.8	Very high	98.3	Very high	11 Å²	11	43.4 Å²	43.4	9%	0.091	24%	0.244	C	C	.	.			trans	-87	52.6	-171.5	0	0	0	0	0	113.3	L168 E169 L458 L486 P488	L168-A172 PolarHBondContact O-N 3.27Å; L168-A172 VanDerWaalsContact O-N 3.12Å; E169-A172 WeakPolarHBondContact O-CB 3.5Å; E169-A172 PolarHBondContact O-N 3.03Å; A172-L458 HydrophobicContact CB-CD2 4.01Å; A172-L486 CarbonylContact C-O 3.09Å; A172-L486 VanDerWaalsContact CA-O 3.22Å; A172-L486 WeakPolarHBondContact CA-O 3.4Å; A172-L486 HydrophobicContact CB-CB 3.95Å; A172-P488 HydrophobicContact CB-CG 4.3Å; A172-P488 WeakPolarHBondContact O-CD 3.33Å
173	D	97.2	Very high	98.3	Very high	64 Å²	64	43.6 Å²	43.6	34%	0.342	25%	0.245	S	C	.	.	S	Bend	trans	-88.1	-2.8	178.7	60.9	13.7	0	0	0	113.7	K171 Q175 T176 R487	K171-D173 VanDerWaalsContact C-N 3.26Å; K171-D173 PolarHBondContact O-N 3.4Å; D173-Q175 VanDerWaalsContact C-N 3.28Å; D173-Q175 PolarHBondContact O-N 3.49Å; D173-Q175 WeakPolarHBondContact OD1-CA 3.38Å; D173-Q175 PolarHBondContact OD1-N 2.96Å; D173-T176 WeakPolarHBondContact OD1-CB 3.14Å; D173-T176 PolarHBondContact OD1-N 3.22Å; D173-T176 PolarHBondContact OD1-OG1 3.37Å; D173-T176 WeakPolarHBondContact OD2-CB 3.31Å; D173-T176 PolarHBondContact OD2-OG1 3.17Å; D173-R487 PolarHBondContact O-NH1 3.34Å; D173-R487 PolarHBondContact O-NH2 3.1Å; D173-R487 VanDerWaalsContact O-NH2 3.11Å
174	G	96.4	Very high	98.3	Very high	22 Å²	22	41.7 Å²	41.7	23%	0.227	24%	0.236	C	C	.	.	S	Bend	trans	73.1	11.1	-174.6	0	0	0	0	0	115.2	L486	G174-L486 VanDerWaalsContact CA-O 3.26Å; G174-L486 WeakPolarHBondContact CA-O 3.4Å; G174-L486 PolarHBondContact N-O 3.06Å
175	Q	96.5	Very high	98.3	Very high	152 Å²	152	42.7 Å²	42.7	71%	0.71	24%	0.242	S	C	*	.	S	Bend	trans	-132.9	-41.1	-175	-61	-174.6	8.8	0	0	112.9	D173 P177 T485	D173-Q175 VanDerWaalsContact C-N 3.28Å; D173-Q175 PolarHBondContact O-N 3.49Å; D173-Q175 WeakPolarHBondContact OD1-CA 3.38Å; D173-Q175 PolarHBondContact OD1-N 2.96Å; Q175-P177 VanDerWaalsContact O-CD 3.31Å; Q175-P177 WeakPolarHBondContact O-CD 3.45Å; Q175-T485 WeakPolarHBondContact O-CG2 3.39Å
176	T	98.4	Very high	98.3	Very high	51 Å²	51	44.9 Å²	44.9	31%	0.313	25%	0.251	S	S	.	.	S	Bend	trans	-66.8	117.4	-177.7	-69	0	0	0	0	110.1	D173 V178	D173-T176 WeakPolarHBondContact OD1-CB 3.14Å; D173-T176 PolarHBondContact OD1-N 3.22Å; D173-T176 PolarHBondContact OD1-OG1 3.37Å; D173-T176 WeakPolarHBondContact OD2-CB 3.31Å; D173-T176 PolarHBondContact OD2-OG1 3.17Å; T176-V178 HydrophobicContact CG2-CG2 4.38Å
177	P	98.3	Very high	98.3	Very high	81 Å²	81	41 Å²	41	53%	0.526	23%	0.232	S	C	.	.			trans	-75.5	129	177.4	30.3	-33.4	0	0	0	110.3	Q175 V463	Q175-P177 VanDerWaalsContact O-CD 3.31Å; Q175-P177 WeakPolarHBondContact O-CD 3.45Å; P177-V463 HydrophobicContact CB-CG2 4.14Å
178	V	98.8	Very high	98.3	Very high	11 Å²	11	39.4 Å²	39.4	7%	0.067	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	129.2	177.6	-177	0	0	0	0	109.5	L168 K171 T176 M180 M183 L483 C484 L486	L168-V178 HydrophobicContact CD2-CG1 3.86Å; K171-V178 HydrophobicContact CB-CG2 4.09Å; K171-V178 HydrophobicContact CD-CG2 3.94Å; T176-V178 HydrophobicContact CG2-CG2 4.38Å; V178-M180 HydrophobicContact CG1-SD 4.5Å; V178-M180 PolarHBondContact O-N 3.13Å; V178-M180 VanDerWaalsContact O-N 3.15Å; V178-M183 HydrophobicContact CG1-CG 3.64Å; V178-M183 HydrophobicContact CG1-SD 4.47Å; V178-L483 CarbonylContact O-C 3.52Å; V178-L483 WeakPolarHBondContact O-CA 3.2Å; V178-C484 PolarHBondContact N-O 3.12Å; V178-C484 PolarHBondContact O-N 2.97Å; V178-L486 HydrophobicContact CB-CD1 3.79Å; V178-L486 HydrophobicContact CG2-CD1 3.63Å
179	S	98.8	Very high	98.3	Very high	19 Å²	19	39.5 Å²	39.5	13%	0.133	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	100.5	172.6	173.7	0	0	0	0	109.9	Q181 D182 M183 P481	S179-Q181 VanDerWaalsContact C-N 3.25Å; S179-Q181 PolarHBondContact O-N 3.23Å; S179-D182 WeakPolarHBondContact CB-OD2 3.43Å; S179-D182 PolarHBondContact O-N 3.49Å; S179-D182 WeakPolarHBondContact OG-CB 3.32Å; S179-D182 PolarHBondContact OG-N 2.93Å; S179-D182 PolarHBondContact OG-OD2 3.04Å; S179-M183 WeakPolarHBondContact O-CG 3.28Å; S179-M183 PolarHBondContact O-N 2.85Å; S179-P481 WeakPolarHBondContact OG-CB 3.22Å; S179-P481 PolarHBondContact OG-O 3.22Å
180	M	98.8	Very high	98.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-66.7	-31.5	177.4	-66.8	-56.5	-57.8	0	0	111.2	L168 V178 D182 M183 L184 V315 F460 P481 V482 C484 L486	L168-M180 HydrophobicContact CD1-CE 3.93Å; L168-M180 HydrophobicContact CD1-SD 4.36Å; L168-M180 HydrophobicContact CD2-SD 4.16Å; V178-M180 HydrophobicContact CG1-SD 4.5Å; V178-M180 PolarHBondContact O-N 3.13Å; V178-M180 VanDerWaalsContact O-N 3.15Å; M180-D182 PolarHBondContact O-N 3.49Å; M180-M183 PolarHBondContact O-N 2.9Å; M180-L184 HydrophobicContact CB-CD1 4.26Å; M180-L184 HydrophobicContact CE-CD1 4.4Å; M180-L184 HydrophobicContact CE-CD2 4.5Å; M180-L184 HydrophobicContact CE-CG 4.35Å; M180-L184 VanDerWaalsContact O-CB 3.25Å; M180-L184 WeakPolarHBondContact O-CB 3.44Å; M180-L184 VanDerWaalsContact O-CD1 3.24Å; M180-L184 WeakPolarHBondContact O-CD1 3.39Å; M180-L184 WeakPolarHBondContact O-CG 3.48Å; M180-L184 PolarHBondContact O-N 3.03Å; M180-V315 HydrophobicContact CB-CG1 4.32Å; M180-V315 HydrophobicContact CG-CG1 4.19Å; M180-F460 HydrophobicContact CE-CD1 4.2Å; M180-F460 HydrophobicContact CE-CE1 3.55Å; M180-F460 HydrophobicContact CE-CZ 4.36Å; M180-F460 HydrophobicContact CG-CD1 4.43Å; M180-F460 HydrophobicContact SD-CD1 4.06Å; M180-F460 HydrophobicContact SD-CE1 3.81Å; M180-P481 PolarHBondContact N-O 2.94Å; M180-V482 HydrophobicContact CB-CB 4.13Å; M180-V482 HydrophobicContact CB-CG1 4.07Å; M180-V482 WeakPolarHBondContact CB-O 3.33Å; M180-V482 PolarHBondContact N-O 3.35Å; M180-C484 HydrophobicContact CG-CB 3.93Å; M180-L486 HydrophobicContact SD-CD2 4.45Å
181	Q	98.8	Very high	98.3	Very high	14 Å²	14	32.1 Å²	32.1	7%	0.065	18%	0.175	C	C	.	.	H	α-helix	trans	-60.1	-45.2	174.4	-177.7	167.7	41.6	0	0	111.8	S179 T185 A312 P481	S179-Q181 VanDerWaalsContact C-N 3.25Å; S179-Q181 PolarHBondContact O-N 3.23Å; Q181-T185 WeakPolarHBondContact O-CB 3.36Å; Q181-T185 PolarHBondContact O-N 3.06Å; Q181-T185 PolarHBondContact O-OG1 3.45Å; Q181-A312 HydrophobicContact CB-CB 4.36Å; Q181-A312 HydrophobicContact CG-CB 4.44Å; Q181-P481 HydrophobicContact CB-CB 4.47Å; Q181-P481 VanDerWaalsContact CB-O 3.23Å; Q181-P481 WeakPolarHBondContact CB-O 3.34Å; Q181-P481 PolarHBondContact N-O 3.4Å
182	D	98.5	Very high	98.4	Very high	72 Å²	72	28.1 Å²	28.1	39%	0.385	16%	0.157	S	C	.	.	H	α-helix	trans	-68.4	-46.5	178.8	-66.1	-41	0	0	0	111.3	S179 M180 L184 T185 Y186	S179-D182 WeakPolarHBondContact CB-OD2 3.43Å; S179-D182 PolarHBondContact O-N 3.49Å; S179-D182 WeakPolarHBondContact OG-CB 3.32Å; S179-D182 PolarHBondContact OG-N 2.93Å; S179-D182 PolarHBondContact OG-OD2 3.04Å; M180-D182 PolarHBondContact O-N 3.49Å; D182-L184 VanDerWaalsContact C-N 3.33Å; D182-L184 PolarHBondContact O-N 3.14Å; D182-T185 WeakPolarHBondContact O-CB 3.45Å; D182-T185 PolarHBondContact O-N 2.78Å; D182-T185 VanDerWaalsContact O-N 3.12Å; D182-Y186 HydrophobicContact CB-CE2 4.07Å; D182-Y186 WeakPolarHBondContact O-CD1 3.36Å; D182-Y186 WeakPolarHBondContact O-CD2 3.36Å; D182-Y186 PolarHBondContact O-N 3.17Å
183	M	98.8	Very high	98.4	Very high	19 Å²	19	27.6 Å²	27.6	9%	0.094	15%	0.153	C	C	.	.	H	α-helix	trans	-58.5	-44.5	179.5	-68.9	-56.4	-60	0	0	111.9	L164 I167 L168 V178 S179 M180 T185 Y186 T187 L204	L164-M183 HydrophobicContact CD1-CB 3.97Å; L164-M183 HydrophobicContact CD1-CE 3.73Å; I167-M183 HydrophobicContact CB-CE 4.37Å; I167-M183 HydrophobicContact CG2-CE 3.68Å; L168-M183 HydrophobicContact CD2-CE 4.25Å; L168-M183 HydrophobicContact CD2-CG 4.14Å; V178-M183 HydrophobicContact CG1-CG 3.64Å; V178-M183 HydrophobicContact CG1-SD 4.47Å; S179-M183 WeakPolarHBondContact O-CG 3.28Å; S179-M183 PolarHBondContact O-N 2.85Å; M180-M183 PolarHBondContact O-N 2.9Å; M183-T185 VanDerWaalsContact C-N 3.34Å; M183-Y186 PolarHBondContact O-N 3Å; M183-Y186 HydrophobicContact SD-CD2 4.37Å; M183-T187 PolarHBondContact O-N 3.39Å; M183-T187 PolarHBondContact O-OG1 2.96Å; M183-L204 HydrophobicContact CE-CD2 3.78Å
184	L	98.9	Very high	98.5	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-71.2	-29.9	178.8	-62.7	164.7	0	0	0	112.1	L164 M180 D182 A188 L311 A312 V315 V450 L454	L164-L184 HydrophobicContact CD2-CD2 4.08Å; M180-L184 HydrophobicContact CB-CD1 4.26Å; M180-L184 HydrophobicContact CE-CD1 4.4Å; M180-L184 HydrophobicContact CE-CD2 4.5Å; M180-L184 HydrophobicContact CE-CG 4.35Å; M180-L184 VanDerWaalsContact O-CB 3.25Å; M180-L184 WeakPolarHBondContact O-CB 3.44Å; M180-L184 VanDerWaalsContact O-CD1 3.24Å; M180-L184 WeakPolarHBondContact O-CD1 3.39Å; M180-L184 WeakPolarHBondContact O-CG 3.48Å; M180-L184 PolarHBondContact O-N 3.03Å; D182-L184 VanDerWaalsContact C-N 3.33Å; D182-L184 PolarHBondContact O-N 3.14Å; L184-A188 WeakPolarHBondContact O-CB 3.46Å; L184-A188 PolarHBondContact O-N 3.39Å; L184-L311 HydrophobicContact CB-CB 4.22Å; L184-L311 HydrophobicContact CD1-CB 3.88Å; L184-L311 HydrophobicContact CD2-CB 4.06Å; L184-L311 HydrophobicContact CD2-CD1 4.24Å; L184-L311 HydrophobicContact CG-CB 4.26Å; L184-A312 HydrophobicContact CD1-CB 4.2Å; L184-V315 HydrophobicContact CD1-CG2 4.1Å; L184-V450 HydrophobicContact CD2-CG1 4.05Å; L184-L454 HydrophobicContact CD2-CD1 4.2Å
185	T	98.8	Very high	98.5	Very high	22 Å²	22	27.2 Å²	27.2	14%	0.135	14%	0.143	C	C	.	.	H	α-helix	trans	-66.5	-43.1	171.3	-58.6	0	0	0	0	111.2	Q181 D182 M183 M189	Q181-T185 WeakPolarHBondContact O-CB 3.36Å; Q181-T185 PolarHBondContact O-N 3.06Å; Q181-T185 PolarHBondContact O-OG1 3.45Å; D182-T185 WeakPolarHBondContact O-CB 3.45Å; D182-T185 PolarHBondContact O-N 2.78Å; D182-T185 VanDerWaalsContact O-N 3.12Å; M183-T185 VanDerWaalsContact C-N 3.34Å; T185-M189 WeakPolarHBondContact O-CB 3.1Å; T185-M189 PolarHBondContact O-N 2.79Å
186	Y	98.8	Very high	98.6	Very high	46 Å²	46	20 Å²	20	18%	0.18	11%	0.11	C	C	.	.	H	α-helix	trans	-64.3	-45	176.7	-58.4	-22.1	0	0	0	111.4	D182 M183 M189 D190 M203	D182-Y186 HydrophobicContact CB-CE2 4.07Å; D182-Y186 WeakPolarHBondContact O-CD1 3.36Å; D182-Y186 WeakPolarHBondContact O-CD2 3.36Å; D182-Y186 PolarHBondContact O-N 3.17Å; M183-Y186 PolarHBondContact O-N 3Å; M183-Y186 HydrophobicContact SD-CD2 4.37Å; Y186-M189 PolarHBondContact O-N 3.27Å; Y186-D190 WeakPolarHBondContact O-CB 3.46Å; Y186-D190 PolarHBondContact O-N 2.97Å; Y186-M203 HydrophobicContact CD1-CB 3.89Å; Y186-M203 HydrophobicContact CD1-SD 3.95Å; Y186-M203 HydrophobicContact CG-CB 3.89Å
187	T	98.9	Very high	98.6	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-59.4	-50.4	175.8	-53.7	0	0	0	0	112	K160 L164 M183 M189 D190 I191 V450	K160-T187 HydrophobicContact CB-CG2 4.45Å; L164-T187 HydrophobicContact CB-CG2 4.36Å; L164-T187 HydrophobicContact CD2-CG2 4.21Å; L164-T187 WeakPolarHBondContact CD2-OG1 3.35Å; M183-T187 PolarHBondContact O-N 3.39Å; M183-T187 PolarHBondContact O-OG1 2.96Å; T187-M189 VanDerWaalsContact C-N 3.27Å; T187-M189 PolarHBondContact O-N 2.96Å; T187-D190 PolarHBondContact O-N 2.92Å; T187-I191 HydrophobicContact CG2-CD1 3.89Å; T187-I191 HydrophobicContact CG2-CG1 4.48Å; T187-I191 WeakPolarHBondContact O-CB 3.43Å; T187-I191 VanDerWaalsContact O-CG1 3.3Å; T187-I191 WeakPolarHBondContact O-CG1 3.37Å; T187-I191 PolarHBondContact O-N 3.32Å; T187-V450 HydrophobicContact CG2-CG2 4.07Å
188	A	98.8	Very high	98.5	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.008	9%	0.091	C	C	.	.	H	α-helix	trans	-62.7	-36.4	180	0	0	0	0	0	111.7	L184 L192 H304 A308	L184-A188 WeakPolarHBondContact O-CB 3.46Å; L184-A188 PolarHBondContact O-N 3.39Å; A188-L192 VanDerWaalsContact O-CB 3.24Å; A188-L192 WeakPolarHBondContact O-CB 3.3Å; A188-L192 PolarHBondContact O-N 3.36Å; A188-H304 HydrophobicContact CB-CB 3.91Å; A188-H304 WeakPolarHBondContact O-CB 3.47Å; A188-A308 HydrophobicContact CB-CB 4.01Å
189	M	98.6	Very high	98.5	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-68.3	-45.7	176.6	-176	162.8	-60.5	0	0	112.1	T185 Y186 T187 I191 L192 A193 T201 M203 L211 V215 F300 H304	T185-M189 WeakPolarHBondContact O-CB 3.1Å; T185-M189 PolarHBondContact O-N 2.79Å; Y186-M189 PolarHBondContact O-N 3.27Å; T187-M189 VanDerWaalsContact C-N 3.27Å; T187-M189 PolarHBondContact O-N 2.96Å; M189-I191 VanDerWaalsContact C-N 3.32Å; M189-I191 PolarHBondContact O-N 2.74Å; M189-L192 PolarHBondContact O-N 3.3Å; M189-A193 VanDerWaalsContact O-CB 3.25Å; M189-A193 WeakPolarHBondContact O-CB 3.19Å; M189-A193 PolarHBondContact O-N 3.43Å; M189-T201 HydrophobicContact CG-CG2 4.42Å; M189-M203 HydrophobicContact CB-SD 4.12Å; M189-M203 HydrophobicContact CE-CE 4.21Å; M189-M203 HydrophobicContact CE-SD 4.3Å; M189-M203 HydrophobicContact CG-CE 4.39Å; M189-M203 HydrophobicContact CG-SD 4.02Å; M189-M203 HydrophobicContact SD-CE 3.08Å; M189-M203 WeakPolarHBondContact SD-CE 3.38Å; M189-M203 HydrophobicContact SD-CG 4.36Å; M189-M203 HydrophobicContact SD-SD 3.29Å; M189-L211 HydrophobicContact SD-CD2 4.18Å; M189-L211 HydrophobicContact SD-CG 4.29Å; M189-V215 HydrophobicContact CE-CG2 4.12Å; M189-F300 HydrophobicContact CE-CE1 3.78Å; M189-F300 HydrophobicContact CE-CZ 3.82Å; M189-F300 HydrophobicContact CG-CZ 4.38Å; M189-F300 HydrophobicContact SD-CE1 4.31Å; M189-F300 HydrophobicContact SD-CZ 3.74Å; M189-H304 VanDerWaalsContact CE-CE1 3.5Å; M189-H304 WeakPolarHBondContact CE-CE1 3.38Å; M189-H304 WeakPolarHBondContact CE-NE2 3.42Å
190	D	98.8	Very high	98.4	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-64	-38.9	178.6	-72.2	-14	0	0	0	111.3	K160 Y186 T187 K194 T201 S202 M203 L204	K160-D190 HydrophobicContact CD-CB 4.21Å; K160-D190 HydrophobicContact CG-CB 4.34Å; Y186-D190 WeakPolarHBondContact O-CB 3.46Å; Y186-D190 PolarHBondContact O-N 2.97Å; T187-D190 PolarHBondContact O-N 2.92Å; D190-K194 WeakPolarHBondContact O-CB 3.43Å; D190-K194 PolarHBondContact O-N 3.48Å; D190-T201 WeakPolarHBondContact CA-OG1 3.24Å; D190-T201 WeakPolarHBondContact OD1-CB 3.45Å; D190-T201 PolarHBondContact OD1-OG1 3.21Å; D190-S202 PolarHBondContact OD1-N 3.43Å; D190-M203 PolarHBondContact OD1-N 2.75Å; D190-M203 PolarHBondContact OD2-N 3.31Å; D190-L204 WeakPolarHBondContact OD2-CB 3.45Å; D190-L204 PolarHBondContact OD2-N 3.03Å
191	I	98.8	Very high	98.4	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.005	11%	0.106	C	C	.	.	H	α-helix	trans	-59.4	-53.8	171.6	-73.5	172.5	0	0	0	110.3	F157 K160 T187 M189 K194 A195 F442 E446 V450	F157-I191 HydrophobicContact CD1-CD1 4.43Å; F157-I191 HydrophobicContact CD1-CG2 3.53Å; F157-I191 HydrophobicContact CE1-CG2 3.52Å; K160-I191 HydrophobicContact CB-CD1 4.21Å; K160-I191 HydrophobicContact CB-CG1 3.52Å; K160-I191 HydrophobicContact CG-CG1 3.8Å; T187-I191 HydrophobicContact CG2-CD1 3.89Å; T187-I191 HydrophobicContact CG2-CG1 4.48Å; T187-I191 WeakPolarHBondContact O-CB 3.43Å; T187-I191 VanDerWaalsContact O-CG1 3.3Å; T187-I191 WeakPolarHBondContact O-CG1 3.37Å; T187-I191 PolarHBondContact O-N 3.32Å; M189-I191 VanDerWaalsContact C-N 3.32Å; M189-I191 PolarHBondContact O-N 2.74Å; I191-K194 PolarHBondContact O-N 3.36Å; I191-A195 WeakPolarHBondContact O-CB 3.25Å; I191-A195 PolarHBondContact O-N 3.35Å; I191-F442 HydrophobicContact CG2-CZ 4.05Å; I191-E446 WeakPolarHBondContact CG2-OE2 3.46Å; I191-V450 HydrophobicContact CD1-CG2 4.26Å
192	L	98.6	Very high	98.4	Very high	3 Å²	3	20.6 Å²	20.6	2%	0.016	12%	0.115	C	C	.	.	H	α-helix	trans	-64.8	-45.9	-174.3	-175.6	-79.8	0	0	0	111.4	A188 M189 K194 A195 A196 F197 F300 H304	A188-L192 VanDerWaalsContact O-CB 3.24Å; A188-L192 WeakPolarHBondContact O-CB 3.3Å; A188-L192 PolarHBondContact O-N 3.36Å; M189-L192 PolarHBondContact O-N 3.3Å; L192-K194 VanDerWaalsContact C-N 3.28Å; L192-K194 PolarHBondContact O-N 2.99Å; L192-A195 PolarHBondContact O-N 3.41Å; L192-A196 HydrophobicContact CD1-CB 4.43Å; L192-A196 HydrophobicContact CD2-CB 3.7Å; L192-A196 VanDerWaalsContact O-CB 3.23Å; L192-A196 WeakPolarHBondContact O-CB 3.26Å; L192-A196 PolarHBondContact O-N 3.02Å; L192-F197 HydrophobicContact CD1-CD2 4.02Å; L192-F197 HydrophobicContact CD1-CE2 3.5Å; L192-F197 VanDerWaalsContact CD1-CE2 3.5Å; L192-F300 HydrophobicContact CD1-CD2 4.43Å; L192-H304 HydrophobicContact CB-CB 4.07Å; L192-H304 HydrophobicContact CG-CB 4.4Å
193	A	98.5	Very high	98.3	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-55.5	-45.3	178.5	0	0	0	0	0	111.5	M189 F197 G198 M199 T201 W257	M189-A193 VanDerWaalsContact O-CB 3.25Å; M189-A193 WeakPolarHBondContact O-CB 3.19Å; M189-A193 PolarHBondContact O-N 3.43Å; A193-F197 CarbonylContact O-C 3.59Å; A193-F197 WeakPolarHBondContact O-CB 3.21Å; A193-F197 PolarHBondContact O-N 2.99Å; A193-G198 PolarHBondContact O-N 3.42Å; A193-M199 CarbonylContact C-O 3.39Å; A193-M199 WeakPolarHBondContact CB-O 3.34Å; A193-M199 PolarHBondContact O-N 3.36Å; A193-T201 HydrophobicContact CB-CG2 3.71Å; A193-W257 HydrophobicContact CB-CH2 3.67Å; A193-W257 HydrophobicContact CB-CZ3 4.06Å
194	K	98.4	Very high	98.3	Very high	72 Å²	72	17 Å²	17	31%	0.313	10%	0.096	S	C	.	.	H	α-helix	trans	-71.6	-51.8	179.8	-179.2	56.6	164.9	-143.4	0	111.8	T156 D190 I191 L192 G198 M199 E200	T156-K194 HydrophobicContact CG2-CB 3.76Å; T156-K194 HydrophobicContact CG2-CG 3.62Å; D190-K194 WeakPolarHBondContact O-CB 3.43Å; D190-K194 PolarHBondContact O-N 3.48Å; I191-K194 PolarHBondContact O-N 3.36Å; L192-K194 VanDerWaalsContact C-N 3.28Å; L192-K194 PolarHBondContact O-N 2.99Å; K194-G198 VanDerWaalsContact O-CA 3.26Å; K194-G198 WeakPolarHBondContact O-CA 3.16Å; K194-G198 PolarHBondContact O-N 3.23Å; K194-M199 VanDerWaalsContact CA-O 3.27Å; K194-M199 WeakPolarHBondContact CA-O 3.29Å; K194-M199 PolarHBondContact N-O 2.92Å; K194-E200 WeakPolarHBondContact CD-OE1 3.5Å; K194-E200 VanDerWaalsContact CE-OE1 3.26Å; K194-E200 WeakPolarHBondContact CE-OE1 3.08Å; K194-E200 IonicContact NZ-OE1 3.69Å; K194-E200 PolarHBondContact NZ-OE1 3.21Å
195	A	97.9	Very high	98.2	Very high	7 Å²	7	22.5 Å²	22.5	6%	0.058	13%	0.125	C	C	.	.	H	α-helix	trans	-69.3	-38.7	-173.2	0	0	0	0	0	113.7	L153 T156 I191 L192 F442	L153-A195 HydrophobicContact CD1-CB 4.36Å; L153-A195 HydrophobicContact CD2-CB 3.75Å; L153-A195 HydrophobicContact CG-CB 4.49Å; T156-A195 HydrophobicContact CG2-CB 4.31Å; I191-A195 WeakPolarHBondContact O-CB 3.25Å; I191-A195 PolarHBondContact O-N 3.35Å; L192-A195 PolarHBondContact O-N 3.41Å; A195-F442 HydrophobicContact CB-CE2 3.95Å; A195-F442 HydrophobicContact CB-CZ 4.15Å
196	A	97.3	Very high	98	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-92.6	-31.1	-174.8	0	0	0	0	0	113.6	L192 I275 L276	L192-A196 HydrophobicContact CD1-CB 4.43Å; L192-A196 HydrophobicContact CD2-CB 3.7Å; L192-A196 VanDerWaalsContact O-CB 3.23Å; L192-A196 WeakPolarHBondContact O-CB 3.26Å; L192-A196 PolarHBondContact O-N 3.02Å; A196-I275 HydrophobicContact CB-CB 3.87Å; A196-I275 HydrophobicContact CB-CD1 3.66Å; A196-I275 HydrophobicContact CB-CG1 4.28Å; A196-I275 HydrophobicContact CB-CG2 4.3Å; A196-L276 WeakPolarHBondContact O-CB 3.37Å; A196-L276 PolarHBondContact O-N 3.34Å
197	F	98.1	Very high	97.8	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.009	15%	0.147	C	C	.	.	H	α-helix	trans	-125.7	-7.1	-169.1	-53.8	-72.4	0	0	0	113.9	L192 A193 M199 W257 R261 L276 F296 F299 F300	L192-F197 HydrophobicContact CD1-CD2 4.02Å; L192-F197 HydrophobicContact CD1-CE2 3.5Å; L192-F197 VanDerWaalsContact CD1-CE2 3.5Å; A193-F197 CarbonylContact O-C 3.59Å; A193-F197 WeakPolarHBondContact O-CB 3.21Å; A193-F197 PolarHBondContact O-N 2.99Å; F197-M199 VanDerWaalsContact C-N 3.31Å; F197-M199 HydrophobicContact CB-CB 4.5Å; F197-M199 HydrophobicContact CB-CG 4.05Å; F197-M199 WeakPolarHBondContact O-CG 3.43Å; F197-W257 HydrophobicContact CB-CE3 3.57Å; F197-W257 HydrophobicContact CB-CZ3 3.76Å; F197-W257 AromaticContact CD2-CE3 3.99Å; F197-W257 HydrophobicContact CD2-CE3 3.99Å; F197-W257 AromaticContact CD2-CZ3 3.64Å; F197-W257 HydrophobicContact CD2-CZ3 3.64Å; F197-W257 HydrophobicContact CE2-CZ3 4.47Å; F197-W257 AromaticContact CG-CE3 3.79Å; F197-W257 HydrophobicContact CG-CE3 3.79Å; F197-W257 AromaticContact CG-CZ3 3.89Å; F197-W257 HydrophobicContact CG-CZ3 3.89Å; F197-R261 PolarHBondContact O-NH2 3.18Å; F197-L276 HydrophobicContact CB-CD2 4.49Å; F197-L276 HydrophobicContact CD1-CB 3.88Å; F197-L276 HydrophobicContact CD1-CD1 4.13Å; F197-L276 HydrophobicContact CD1-CD2 4.21Å; F197-L276 HydrophobicContact CD1-CG 4.29Å; F197-L276 HydrophobicContact CE1-CD1 4.46Å; F197-F296 AromaticContact CD1-CD2 3.94Å; F197-F296 HydrophobicContact CD1-CD2 3.94Å; F197-F296 AromaticContact CD1-CE2 3.94Å; F197-F296 HydrophobicContact CD1-CE2 3.94Å; F197-F296 HydrophobicContact CD2-CE2 4.48Å; F197-F296 AromaticContact CE1-CD2 3.49Å; F197-F296 HydrophobicContact CE1-CD2 3.49Å; F197-F296 VanDerWaalsContact CE1-CD2 3.49Å; F197-F296 AromaticContact CE1-CE2 3.8Å; F197-F296 HydrophobicContact CE1-CE2 3.8Å; F197-F296 HydrophobicContact CE1-CG 4.42Å; F197-F296 HydrophobicContact CE2-CE2 4.29Å; F197-F296 HydrophobicContact CG-CE2 4.3Å; F197-F296 AromaticContact CZ-CD2 3.86Å; F197-F296 HydrophobicContact CZ-CD2 3.86Å; F197-F296 AromaticContact CZ-CE2 3.97Å; F197-F296 HydrophobicContact CZ-CE2 3.97Å; F197-F299 HydrophobicContact CZ-CB 4.09Å; F197-F300 HydrophobicContact CE2-CB 4.32Å; F197-F300 HydrophobicContact CE2-CD2 4.04Å; F197-F300 HydrophobicContact CZ-CB 4.4Å
198	G	97.6	Very high	97.5	Very high	42 Å²	42	27.6 Å²	27.6	43%	0.433	17%	0.167	S	C	.	.	S	Bend	trans	69.1	27	-176.5	0	0	0	0	0	113.6	A193 K194	A193-G198 PolarHBondContact O-N 3.42Å; K194-G198 VanDerWaalsContact O-CA 3.26Å; K194-G198 WeakPolarHBondContact O-CA 3.16Å; K194-G198 PolarHBondContact O-N 3.23Å
199	M	98	Very high	97.2	Very high	27 Å²	27	33.7 Å²	33.7	13%	0.133	19%	0.193	C	C	.	.			trans	-118	143.3	-172.6	-61.5	-60.7	-66.3	0	0	111.8	A193 K194 F197 W257 R260	A193-M199 CarbonylContact C-O 3.39Å; A193-M199 WeakPolarHBondContact CB-O 3.34Å; A193-M199 PolarHBondContact O-N 3.36Å; K194-M199 VanDerWaalsContact CA-O 3.27Å; K194-M199 WeakPolarHBondContact CA-O 3.29Å; K194-M199 PolarHBondContact N-O 2.92Å; F197-M199 VanDerWaalsContact C-N 3.31Å; F197-M199 HydrophobicContact CB-CB 4.5Å; F197-M199 HydrophobicContact CB-CG 4.05Å; F197-M199 WeakPolarHBondContact O-CG 3.43Å; M199-W257 HydrophobicContact CB-CD2 4Å; M199-W257 HydrophobicContact CB-CE3 3.81Å; M199-W257 HydrophobicContact CB-CH2 3.69Å; M199-W257 HydrophobicContact CB-CZ2 3.85Å; M199-W257 HydrophobicContact CB-CZ3 3.66Å; M199-W257 HydrophobicContact CE-CD2 4.22Å; M199-W257 HydrophobicContact CE-CG 4.08Å; M199-W257 HydrophobicContact CG-CB 4.5Å; M199-W257 HydrophobicContact CG-CD2 3.52Å; M199-W257 HydrophobicContact CG-CE3 3.48Å; M199-W257 VanDerWaalsContact CG-CE3 3.48Å; M199-W257 HydrophobicContact CG-CG 3.98Å; M199-W257 HydrophobicContact CG-CH2 4.3Å; M199-W257 HydrophobicContact CG-CZ2 4.31Å; M199-W257 HydrophobicContact CG-CZ3 3.9Å; M199-R260 VanDerWaalsContact CE-NH1 3.28Å
200	E	97.8	Very high	97.1	Very high	78 Å²	78	37.9 Å²	37.9	36%	0.364	22%	0.22	S	C	.	.			trans	-99.8	112.8	173.9	-64.2	-65.5	163.3	0	0	110.2	K160 K194	K160-E200 IonicContact NZ-OE1 3.7Å; K160-E200 IonicContact NZ-OE2 2.79Å; K160-E200 PolarHBondContact NZ-OE2 3.12Å; K194-E200 WeakPolarHBondContact CD-OE1 3.5Å; K194-E200 VanDerWaalsContact CE-OE1 3.26Å; K194-E200 WeakPolarHBondContact CE-OE1 3.08Å; K194-E200 IonicContact NZ-OE1 3.69Å; K194-E200 PolarHBondContact NZ-OE1 3.21Å
201	T	97.6	Very high	96.9	Very high	3 Å²	3	37.9 Å²	37.9	2%	0.018	22%	0.221	C	C	.	.			trans	-84.6	-30.4	172.3	36.6	0	0	0	0	112.9	M189 D190 A193 M203 Q208 L211 W257	M189-T201 HydrophobicContact CG-CG2 4.42Å; D190-T201 WeakPolarHBondContact CA-OG1 3.24Å; D190-T201 WeakPolarHBondContact OD1-CB 3.45Å; D190-T201 PolarHBondContact OD1-OG1 3.21Å; A193-T201 HydrophobicContact CB-CG2 3.71Å; T201-M203 PolarHBondContact O-N 3.38Å; T201-Q208 WeakPolarHBondContact O-CG 3.46Å; T201-L211 HydrophobicContact CG2-CD2 4.15Å; T201-W257 HydrophobicContact CG2-CH2 3.74Å; T201-W257 HydrophobicContact CG2-CZ2 3.88Å
202	S	97.9	Very high	96.7	Very high	36 Å²	36	39 Å²	39	25%	0.252	23%	0.229	S	C	.	.			trans	53.7	37	178.4	-53.8	0	0	0	0	113.8	D190 L204 L205 G206 A207	D190-S202 PolarHBondContact OD1-N 3.43Å; S202-L204 VanDerWaalsContact C-N 3.29Å; S202-L204 PolarHBondContact O-N 2.93Å; S202-L205 PolarHBondContact O-N 3.45Å; S202-L205 VanDerWaalsContact O-N 3.11Å; S202-G206 PolarHBondContact O-N 3.24Å; S202-A207 VanDerWaalsContact O-CB 3.31Å; S202-A207 WeakPolarHBondContact O-CB 3.37Å; S202-A207 PolarHBondContact O-N 2.96Å; S202-A207 VanDerWaalsContact O-N 3.11Å
203	M	97.9	Very high	96.5	Very high	3 Å²	3	43.2 Å²	43.2	2%	0.015	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-34	177.8	-70.8	-157.7	166.4	0	0	112.4	Y186 M189 D190 T201 L205 G206 Q208 L211	Y186-M203 HydrophobicContact CD1-CB 3.89Å; Y186-M203 HydrophobicContact CD1-SD 3.95Å; Y186-M203 HydrophobicContact CG-CB 3.89Å; M189-M203 HydrophobicContact CB-SD 4.12Å; M189-M203 HydrophobicContact CE-CE 4.21Å; M189-M203 HydrophobicContact CE-SD 4.3Å; M189-M203 HydrophobicContact CG-CE 4.39Å; M189-M203 HydrophobicContact CG-SD 4.02Å; M189-M203 HydrophobicContact SD-CE 3.08Å; M189-M203 WeakPolarHBondContact SD-CE 3.38Å; M189-M203 HydrophobicContact SD-CG 4.36Å; M189-M203 HydrophobicContact SD-SD 3.29Å; D190-M203 PolarHBondContact OD1-N 2.75Å; D190-M203 PolarHBondContact OD2-N 3.31Å; T201-M203 PolarHBondContact O-N 3.38Å; M203-L205 PolarHBondContact O-N 2.66Å; M203-G206 WeakPolarHBondContact O-CA 2.82Å; M203-G206 PolarHBondContact O-N 3.32Å; M203-Q208 HydrophobicContact CE-CB 3.67Å; M203-Q208 WeakPolarHBondContact CE-O 3.37Å; M203-Q208 HydrophobicContact CG-CB 4.18Å; M203-L211 HydrophobicContact CE-CB 3.91Å; M203-L211 HydrophobicContact CE-CD2 4.16Å; M203-L211 HydrophobicContact CE-CG 4.04Å
204	L	97.4	Very high	96.5	Very high	13 Å²	13	43.4 Å²	43.4	7%	0.068	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-32	172.4	-78.8	172.5	0	0	0	112.2	Q163 L164 I167 M183 D190 S202 G206	Q163-L204 HydrophobicContact CB-CD1 4.39Å; Q163-L204 HydrophobicContact CG-CB 4.5Å; Q163-L204 HydrophobicContact CG-CD1 4.22Å; L164-L204 HydrophobicContact CB-CD1 4.39Å; L164-L204 HydrophobicContact CB-CD2 4.37Å; L164-L204 HydrophobicContact CD1-CD2 4Å; I167-L204 HydrophobicContact CD1-CB 3.79Å; I167-L204 HydrophobicContact CD1-CD2 4.27Å; I167-L204 WeakPolarHBondContact CD1-O 3.12Å; M183-L204 HydrophobicContact CE-CD2 3.78Å; D190-L204 WeakPolarHBondContact OD2-CB 3.45Å; D190-L204 PolarHBondContact OD2-N 3.03Å; S202-L204 VanDerWaalsContact C-N 3.29Å; S202-L204 PolarHBondContact O-N 2.93Å; L204-G206 VanDerWaalsContact C-N 3.27Å; L204-G206 PolarHBondContact O-N 3.16Å
205	L	97.3	Very high	96.4	Very high	115 Å²	115	40.2 Å²	40.2	60%	0.602	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.9	9.5	175.9	-57	179.4	0	0	0	113.2	I167 S202 M203	I167-L205 HydrophobicContact CD1-CD2 4.5Å; S202-L205 PolarHBondContact O-N 3.45Å; S202-L205 VanDerWaalsContact O-N 3.11Å; M203-L205 PolarHBondContact O-N 2.66Å
206	G	94.1	Very high	96.3	Very high	41 Å²	41	44.5 Å²	44.5	42%	0.423	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.3	5.9	177.1	0	0	0	0	0	115.4	S202 M203 L204	S202-G206 PolarHBondContact O-N 3.24Å; M203-G206 WeakPolarHBondContact O-CA 2.82Å; M203-G206 PolarHBondContact O-N 3.32Å; L204-G206 VanDerWaalsContact C-N 3.27Å; L204-G206 PolarHBondContact O-N 3.16Å
207	A	95.1	Very high	96.3	Very high	43 Å²	43	45.9 Å²	45.9	36%	0.355	26%	0.261	S	S	.	.			trans	-76.3	172.2	175.7	0	0	0	0	0	112.4	S202 K209	S202-A207 VanDerWaalsContact O-CB 3.31Å; S202-A207 WeakPolarHBondContact O-CB 3.37Å; S202-A207 PolarHBondContact O-N 2.96Å; S202-A207 VanDerWaalsContact O-N 3.11Å; A207-K209 PolarHBondContact O-N 3.48Å
208	Q	92.7	Very high	96.2	Very high	91 Å²	91	45.8 Å²	45.8	43%	0.425	26%	0.26	S	S	.	.			trans	55.9	24	170.3	-58.5	-62.8	-15.3	0	0	116.8	T201 M203 P210 L211 S212	T201-Q208 WeakPolarHBondContact O-CG 3.46Å; M203-Q208 HydrophobicContact CE-CB 3.67Å; M203-Q208 WeakPolarHBondContact CE-O 3.37Å; M203-Q208 HydrophobicContact CG-CB 4.18Å; Q208-P210 VanDerWaalsContact C-N 3.27Å; Q208-P210 VanDerWaalsContact O-N 3.11Å; Q208-L211 HydrophobicContact CB-CB 4.23Å; Q208-L211 WeakPolarHBondContact O-CA 3.42Å; Q208-L211 WeakPolarHBondContact O-CB 3.35Å; Q208-L211 PolarHBondContact O-N 2.68Å; Q208-S212 PolarHBondContact O-N 2.94Å
209	K	92.8	Very high	96	Very high	130 Å²	130	43.9 Å²	43.9	57%	0.565	24%	0.24	S	C	*	.	H	α-helix	trans	-47.8	-38.1	173.5	-69	-177.3	-178.9	-76.6	0	114.8	A207 L211 S212 Q213	A207-K209 PolarHBondContact O-N 3.48Å; K209-L211 VanDerWaalsContact C-N 3.3Å; K209-L211 PolarHBondContact O-N 3.22Å; K209-S212 PolarHBondContact O-N 2.86Å; K209-S212 PolarHBondContact O-OG 3.35Å; K209-Q213 WeakPolarHBondContact O-CB 3.36Å; K209-Q213 PolarHBondContact O-N 3.46Å
210	P	96.4	Very high	95.8	Very high	88 Å²	88	45.1 Å²	45.1	57%	0.571	25%	0.246	S	C	*	.	H	α-helix	trans	-60.8	-36.2	174.5	-25.7	36.5	0	0	0	113.6	Q208 A214 F249	Q208-P210 VanDerWaalsContact C-N 3.27Å; Q208-P210 VanDerWaalsContact O-N 3.11Å; P210-A214 WeakPolarHBondContact O-CB 3.43Å; P210-A214 PolarHBondContact O-N 2.95Å; P210-F249 HydrophobicContact CB-CZ 4.5Å
211	L	95.8	Very high	95.5	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-69.8	-46	178.7	179.4	58.3	0	0	0	111.8	M189 T201 M203 Q208 K209 Q213 A214 V215 F249 L250 V253 F300	M189-L211 HydrophobicContact SD-CD2 4.18Å; M189-L211 HydrophobicContact SD-CG 4.29Å; T201-L211 HydrophobicContact CG2-CD2 4.15Å; M203-L211 HydrophobicContact CE-CB 3.91Å; M203-L211 HydrophobicContact CE-CD2 4.16Å; M203-L211 HydrophobicContact CE-CG 4.04Å; Q208-L211 HydrophobicContact CB-CB 4.23Å; Q208-L211 WeakPolarHBondContact O-CA 3.42Å; Q208-L211 WeakPolarHBondContact O-CB 3.35Å; Q208-L211 PolarHBondContact O-N 2.68Å; K209-L211 VanDerWaalsContact C-N 3.3Å; K209-L211 PolarHBondContact O-N 3.22Å; L211-Q213 VanDerWaalsContact C-N 3.29Å; L211-Q213 PolarHBondContact O-N 3.2Å; L211-A214 PolarHBondContact O-N 3.44Å; L211-V215 WeakPolarHBondContact O-CG2 3.3Å; L211-V215 PolarHBondContact O-N 3.5Å; L211-F249 HydrophobicContact CB-CE1 4.06Å; L211-F249 HydrophobicContact CD1-CD1 4.47Å; L211-F249 HydrophobicContact CD1-CE1 3.88Å; L211-L250 HydrophobicContact CD1-CD1 3.87Å; L211-V253 HydrophobicContact CD1-CG2 4.36Å; L211-F300 HydrophobicContact CD1-CE1 4.16Å; L211-F300 HydrophobicContact CD1-CZ 3.99Å; L211-F300 HydrophobicContact CD2-CE2 4.45Å; L211-F300 HydrophobicContact CD2-CZ 3.79Å; L211-F300 HydrophobicContact CG-CZ 4.05Å
212	S	93.3	Very high	95.2	Very high	25 Å²	25	41.6 Å²	41.6	18%	0.175	23%	0.229	C	C	.	.	H	α-helix	trans	-62.5	-39.7	176	63.1	0	0	0	0	111.3	Q208 K209 V215 K216	Q208-S212 PolarHBondContact O-N 2.94Å; K209-S212 PolarHBondContact O-N 2.86Å; K209-S212 PolarHBondContact O-OG 3.35Å; S212-V215 PolarHBondContact O-N 3.38Å; S212-K216 PolarHBondContact O-N 3.31Å
213	Q	95.5	Very high	94.8	Very high	90 Å²	90	41.4 Å²	41.4	42%	0.421	23%	0.227	S	C	.	.	H	α-helix	trans	-66	-39.8	176.8	-173.6	61.1	22.2	0	0	111.9	K209 L211 K216 L217	K209-Q213 WeakPolarHBondContact O-CB 3.36Å; K209-Q213 PolarHBondContact O-N 3.46Å; L211-Q213 VanDerWaalsContact C-N 3.29Å; L211-Q213 PolarHBondContact O-N 3.2Å; Q213-K216 PolarHBondContact O-N 2.94Å; Q213-L217 HydrophobicContact CG-CD1 4.23Å; Q213-L217 WeakPolarHBondContact O-CG 3.48Å; Q213-L217 PolarHBondContact O-N 2.92Å
214	A	96.9	Very high	94.2	Very high	5 Å²	5	42.2 Å²	42.2	4%	0.041	23%	0.234	C	C	.	.	H	α-helix	trans	-61.1	-44.4	174.9	0	0	0	0	0	111.4	P210 L211 L217 M218 S246 F249	P210-A214 WeakPolarHBondContact O-CB 3.43Å; P210-A214 PolarHBondContact O-N 2.95Å; L211-A214 PolarHBondContact O-N 3.44Å; A214-L217 PolarHBondContact O-N 3.19Å; A214-M218 VanDerWaalsContact C-CE 3.48Å; A214-M218 HydrophobicContact CB-CE 4.23Å; A214-M218 WeakPolarHBondContact O-CE 3.41Å; A214-M218 WeakPolarHBondContact O-CG 3.34Å; A214-M218 PolarHBondContact O-N 3.11Å; A214-S246 WeakPolarHBondContact O-CB 3.47Å; A214-F249 HydrophobicContact CB-CD1 3.77Å; A214-F249 HydrophobicContact CB-CE1 4.37Å
215	V	96.9	Very high	93.6	Very high	4 Å²	4	42.9 Å²	42.9	2%	0.024	24%	0.239	C	C	.	.	H	α-helix	trans	-60.1	-46.8	175.7	173.8	0	0	0	0	111.3	M189 L211 S212 L217 M218 L219 F300	M189-V215 HydrophobicContact CE-CG2 4.12Å; L211-V215 WeakPolarHBondContact O-CG2 3.3Å; L211-V215 PolarHBondContact O-N 3.5Å; S212-V215 PolarHBondContact O-N 3.38Å; V215-L217 PolarHBondContact O-N 3.19Å; V215-M218 HydrophobicContact CG2-CE 4.35Å; V215-M218 WeakPolarHBondContact O-CG 3.44Å; V215-M218 PolarHBondContact O-N 3.45Å; V215-L219 HydrophobicContact CG1-CD1 3.8Å; V215-L219 HydrophobicContact CG1-CG 4.35Å; V215-L219 VanDerWaalsContact O-CG 3.24Å; V215-L219 WeakPolarHBondContact O-CG 3.26Å; V215-L219 PolarHBondContact O-N 3.12Å; V215-L219 VanDerWaalsContact O-N 3.1Å; V215-F300 HydrophobicContact CG2-CE1 3.87Å
216	K	95.9	Very high	92.5	Very high	97 Å²	97	41.4 Å²	41.4	42%	0.422	23%	0.226	S	C	.	.	H	α-helix	trans	-56.4	-50.5	175.9	179.9	179.1	175.5	179	0	111.9	S212 Q213 M218 L219 E220	S212-K216 PolarHBondContact O-N 3.31Å; Q213-K216 PolarHBondContact O-N 2.94Å; K216-M218 PolarHBondContact O-N 3.48Å; K216-L219 PolarHBondContact O-N 3.44Å; K216-E220 WeakPolarHBondContact CE-OE1 3.44Å; K216-E220 WeakPolarHBondContact O-CG 3.43Å; K216-E220 PolarHBondContact O-N 2.88Å
217	L	96.4	Very high	91.4	Very high	29 Å²	29	42 Å²	42	15%	0.152	22%	0.219	C	C	.	.	H	α-helix	trans	-62.8	-40.9	-178.2	-71.5	171.9	0	0	0	112.2	Q213 A214 V215 G221 E242 V243	Q213-L217 HydrophobicContact CG-CD1 4.23Å; Q213-L217 WeakPolarHBondContact O-CG 3.48Å; Q213-L217 PolarHBondContact O-N 2.92Å; A214-L217 PolarHBondContact O-N 3.19Å; V215-L217 PolarHBondContact O-N 3.19Å; L217-G221 PolarHBondContact O-N 3.22Å; L217-E242 HydrophobicContact CD1-CB 4.38Å; L217-V243 WeakPolarHBondContact O-CG2 3.33Å
218	M	96.3	Very high	89.8	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-67.5	-36.6	178.1	63.6	-176.9	75.8	0	0	112.9	L120 A214 V215 K216 G221 I222 I247 L250 I301	L120-M218 HydrophobicContact CD1-SD 3.96Å; A214-M218 VanDerWaalsContact C-CE 3.48Å; A214-M218 HydrophobicContact CB-CE 4.23Å; A214-M218 WeakPolarHBondContact O-CE 3.41Å; A214-M218 WeakPolarHBondContact O-CG 3.34Å; A214-M218 PolarHBondContact O-N 3.11Å; V215-M218 HydrophobicContact CG2-CE 4.35Å; V215-M218 WeakPolarHBondContact O-CG 3.44Å; V215-M218 PolarHBondContact O-N 3.45Å; K216-M218 PolarHBondContact O-N 3.48Å; M218-G221 CarbonylContact O-C 3.6Å; M218-G221 WeakPolarHBondContact O-CA 3.21Å; M218-G221 PolarHBondContact O-N 2.51Å; M218-I222 WeakPolarHBondContact O-CG1 3.24Å; M218-I222 PolarHBondContact O-N 3.06Å; M218-I247 HydrophobicContact CB-CG1 4.16Å; M218-L250 HydrophobicContact CE-CB 3.66Å; M218-L250 HydrophobicContact CE-CD2 3.55Å; M218-L250 HydrophobicContact CE-CG 4.2Å; M218-L250 HydrophobicContact SD-CD2 3.55Å; M218-L250 VanDerWaalsContact SD-CD2 3.55Å; M218-I301 HydrophobicContact SD-CD1 3.56Å; M218-I301 VanDerWaalsContact SD-CD1 3.56Å; M218-I301 HydrophobicContact SD-CG1 4.35Å
219	L	94.8	Very high	88.8	Confident	3 Å²	3	41.7 Å²	41.7	2%	0.016	22%	0.216	C	C	.	.	H	α-helix	trans	-68.1	-41.6	177	-66.5	171.3	0	0	0	112	V215 K216 G221 I222 T223 I301 E305 Q473 A474	V215-L219 HydrophobicContact CG1-CD1 3.8Å; V215-L219 HydrophobicContact CG1-CG 4.35Å; V215-L219 VanDerWaalsContact O-CG 3.24Å; V215-L219 WeakPolarHBondContact O-CG 3.26Å; V215-L219 PolarHBondContact O-N 3.12Å; V215-L219 VanDerWaalsContact O-N 3.1Å; K216-L219 PolarHBondContact O-N 3.44Å; L219-G221 VanDerWaalsContact C-N 3.27Å; L219-G221 PolarHBondContact O-N 3.06Å; L219-I222 HydrophobicContact CD2-CD1 4.3Å; L219-I222 PolarHBondContact O-N 3.41Å; L219-T223 PolarHBondContact O-N 3.13Å; L219-T223 PolarHBondContact O-OG1 3.47Å; L219-I301 HydrophobicContact CD2-CG2 4.04Å; L219-E305 HydrophobicContact CD1-CG 3.7Å; L219-E305 WeakPolarHBondContact CD1-OE2 3.34Å; L219-E305 HydrophobicContact CD2-CG 4.44Å; L219-Q473 HydrophobicContact CB-CB 4.29Å; L219-A474 HydrophobicContact CD2-CB 3.77Å
220	E	92.1	Very high	87.7	Confident	52 Å²	52	36.1 Å²	36.1	24%	0.243	20%	0.195	C	C	.	.	H	α-helix	trans	-59.7	-41.8	168.7	-71.2	176.4	-171.9	0	0	110.9	K216 T223 A224 Q473	K216-E220 WeakPolarHBondContact CE-OE1 3.44Å; K216-E220 WeakPolarHBondContact O-CG 3.43Å; K216-E220 PolarHBondContact O-N 2.88Å; E220-T223 PolarHBondContact O-N 3.35Å; E220-A224 WeakPolarHBondContact O-CB 3.43Å; E220-A224 PolarHBondContact O-N 2.9Å; E220-Q473 HydrophobicContact CG-CG 4.27Å
221	G	92.1	Very high	86.6	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-60.2	-42.8	176.7	0	0	0	0	0	113.7	L217 M218 L219 T223 A224 S225	L217-G221 PolarHBondContact O-N 3.22Å; M218-G221 CarbonylContact O-C 3.6Å; M218-G221 WeakPolarHBondContact O-CA 3.21Å; M218-G221 PolarHBondContact O-N 2.51Å; L219-G221 VanDerWaalsContact C-N 3.27Å; L219-G221 PolarHBondContact O-N 3.06Å; G221-T223 VanDerWaalsContact C-N 3.35Å; G221-T223 PolarHBondContact O-N 3.4Å; G221-A224 PolarHBondContact O-N 2.81Å; G221-S225 VanDerWaalsContact O-CB 3.3Å; G221-S225 WeakPolarHBondContact O-CB 3.41Å; G221-S225 PolarHBondContact O-N 2.84Å
222	I	91.9	Very high	85.7	Confident	8 Å²	8	44.6 Å²	44.6	4%	0.041	22%	0.223	C	C	.	.	H	α-helix	trans	-56.9	-50.8	175.1	-72.2	164	0	0	0	109.8	L112 V115 L120 F121 M218 L219 S225 A474	L112-I222 HydrophobicContact CD2-CD1 4.13Å; L112-I222 HydrophobicContact CD2-CG2 4.06Å; V115-I222 HydrophobicContact CG2-CG1 3.68Å; L120-I222 HydrophobicContact CD2-CD1 3.8Å; L120-I222 HydrophobicContact CD2-CG1 4.09Å; F121-I222 HydrophobicContact CE2-CD1 4.18Å; M218-I222 WeakPolarHBondContact O-CG1 3.24Å; M218-I222 PolarHBondContact O-N 3.06Å; L219-I222 HydrophobicContact CD2-CD1 4.3Å; L219-I222 PolarHBondContact O-N 3.41Å; I222-S225 PolarHBondContact O-N 3.26Å; I222-S225 PolarHBondContact O-OG 3.01Å; I222-A474 HydrophobicContact CB-CB 4.03Å; I222-A474 HydrophobicContact CD1-CB 3.86Å; I222-A474 HydrophobicContact CG2-CB 3.78Å
223	T	88.9	Confident	85	Confident	32 Å²	32	47.9 Å²	47.9	20%	0.196	24%	0.238	C	C	.	.	H	α-helix	trans	-65.1	-44.7	-178.6	-50.5	0	0	0	0	111.3	L219 E220 G221 S225 R226 E472 Q473 A474	L219-T223 PolarHBondContact O-N 3.13Å; L219-T223 PolarHBondContact O-OG1 3.47Å; E220-T223 PolarHBondContact O-N 3.35Å; G221-T223 VanDerWaalsContact C-N 3.35Å; G221-T223 PolarHBondContact O-N 3.4Å; T223-S225 VanDerWaalsContact C-N 3.26Å; T223-S225 PolarHBondContact O-N 3.25Å; T223-R226 WeakPolarHBondContact O-CB 3.47Å; T223-R226 PolarHBondContact O-N 3.14Å; T223-E472 HydrophobicContact CG2-CG 4.45Å; T223-E472 WeakPolarHBondContact CG2-O 3.4Å; T223-E472 PolarHBondContact OG1-O 2.96Å; T223-Q473 VanDerWaalsContact OG1-CA 3.28Å; T223-Q473 WeakPolarHBondContact OG1-CA 3.38Å; T223-A474 PolarHBondContact OG1-N 2.95Å
224	A	85.9	Confident	84.2	Confident	20 Å²	20	47.8 Å²	47.8	17%	0.165	25%	0.245	C	C	.	.	H	α-helix	trans	-62.4	-33.1	176.8	0	0	0	0	0	112.4	F116 E220 G221 R226 N227	F116-A224 HydrophobicContact CZ-CB 4.05Å; E220-A224 WeakPolarHBondContact O-CB 3.43Å; E220-A224 PolarHBondContact O-N 2.9Å; G221-A224 PolarHBondContact O-N 2.81Å; A224-R226 PolarHBondContact O-N 3.39Å; A224-N227 WeakPolarHBondContact O-CB 3.29Å; A224-N227 PolarHBondContact O-N 2.88Å; A224-N227 VanDerWaalsContact O-N 3.09Å
225	S	84.3	Confident	83.5	Confident	26 Å²	26	51.2 Å²	51.2	18%	0.182	28%	0.281	C	S	.	.	H	α-helix	trans	-67	-22.3	179.7	81	0	0	0	0	113.7	G221 I222 T223 N227	G221-S225 VanDerWaalsContact O-CB 3.3Å; G221-S225 WeakPolarHBondContact O-CB 3.41Å; G221-S225 PolarHBondContact O-N 2.84Å; I222-S225 PolarHBondContact O-N 3.26Å; I222-S225 PolarHBondContact O-OG 3.01Å; T223-S225 VanDerWaalsContact C-N 3.26Å; T223-S225 PolarHBondContact O-N 3.25Å; S225-N227 PolarHBondContact O-N 3.44Å
226	R	74.1	Confident	83	Confident	85 Å²	85	55.1 Å²	55.1	32%	0.321	30%	0.298	S	S	.	.	H	α-helix	trans	-64	-29.7	172.7	-60.4	178.8	67.7	-171.2	-4	111.4	T223 A224 T228 E472	T223-R226 WeakPolarHBondContact O-CB 3.47Å; T223-R226 PolarHBondContact O-N 3.14Å; A224-R226 PolarHBondContact O-N 3.39Å; R226-T228 PolarHBondContact O-N 3.27Å; R226-E472 IonicContact CZ-OE1 2.68Å; R226-E472 VanDerWaalsContact NH1-CD 3.35Å; R226-E472 IonicContact NH1-OE1 3.76Å; R226-E472 PolarHBondContact NH1-OE1 3.46Å; R226-E472 IonicContact NH1-OE2 3.84Å; R226-E472 PolarHBondContact NH1-OE2 3.45Å
227	N	70.3	Confident	82.7	Confident	52 Å²	52	59.3 Å²	59.3	28%	0.278	31%	0.311	S	S	.	.	S	Bend	trans	-81.7	92.2	170.1	-68.7	-38.7	0	0	0	109.3	W50 A224 S225 L229 A230	W50-N227 PolarHBondContact NE1-OD1 3.24Å; A224-N227 WeakPolarHBondContact O-CB 3.29Å; A224-N227 PolarHBondContact O-N 2.88Å; A224-N227 VanDerWaalsContact O-N 3.09Å; S225-N227 PolarHBondContact O-N 3.44Å; N227-L229 PolarHBondContact O-N 2.85Å; N227-A230 HydrophobicContact CB-CB 4.24Å; N227-A230 VanDerWaalsContact O-CB 3.24Å; N227-A230 WeakPolarHBondContact O-CB 3.22Å; N227-A230 PolarHBondContact O-N 3.34Å
228	T	63.2	Low	82.4	Confident	57 Å²	57	64.2 Å²	64.2	35%	0.35	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-19.2	-176	62	0	0	0	0	114.4	F80 R226 K231	F80-T228 HydrophobicContact CD2-CG2 4.45Å; F80-T228 HydrophobicContact CE2-CG2 3.93Å; F80-T228 WeakPolarHBondContact CE2-OG1 3.48Å; F80-T228 WeakPolarHBondContact CZ-OG1 3.44Å; R226-T228 PolarHBondContact O-N 3.27Å; T228-K231 VanDerWaalsContact O-CE 3.3Å; T228-K231 WeakPolarHBondContact O-CE 3.46Å; T228-K231 WeakPolarHBondContact O-CG 3.28Å
229	L	70	Confident	82.1	Confident	71 Å²	71	66.4 Å²	66.4	37%	0.372	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-22.5	175.9	-61.7	179.1	0	0	0	113.1	W50 F80 N227 K231 F232 L233	W50-L229 HydrophobicContact CH2-CD1 3.65Å; W50-L229 HydrophobicContact CZ2-CD1 3.89Å; F80-L229 HydrophobicContact CZ-CG 4.45Å; N227-L229 PolarHBondContact O-N 2.85Å; L229-K231 PolarHBondContact O-N 3.37Å; L229-K231 VanDerWaalsContact O-N 3.13Å; L229-F232 PolarHBondContact O-N 3.03Å; L229-L233 PolarHBondContact O-N 2.83Å
230	A	71.1	Confident	82	Confident	14 Å²	14	67 Å²	67	12%	0.116	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-58.1	-32.8	-176.3	0	0	0	0	0	112.6	N227 F232 K236	N227-A230 HydrophobicContact CB-CB 4.24Å; N227-A230 VanDerWaalsContact O-CB 3.24Å; N227-A230 WeakPolarHBondContact O-CB 3.22Å; N227-A230 PolarHBondContact O-N 3.34Å; A230-F232 VanDerWaalsContact C-N 3.27Å; A230-F232 PolarHBondContact O-N 3.27Å; A230-K236 WeakPolarHBondContact O-CB 3.12Å
231	K	72.7	Confident	82.1	Confident	116 Å²	116	71 Å²	71	50%	0.504	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-70.5	-18.7	179	70.6	-169.1	-179.9	172.5	0	114.8	T228 L229 L240	T228-K231 VanDerWaalsContact O-CE 3.3Å; T228-K231 WeakPolarHBondContact O-CE 3.46Å; T228-K231 WeakPolarHBondContact O-CG 3.28Å; L229-K231 PolarHBondContact O-N 3.37Å; L229-K231 VanDerWaalsContact O-N 3.13Å; K231-L240 HydrophobicContact CB-CD2 4.02Å
232	F	76.8	Confident	82.3	Confident	151 Å²	151	73.7 Å²	73.7	66%	0.662	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-101.4	-9.2	-178	-61.3	-64.5	0	0	0	113	L229 A230 P234	L229-F232 PolarHBondContact O-N 3.03Å; A230-F232 VanDerWaalsContact C-N 3.27Å; A230-F232 PolarHBondContact O-N 3.27Å; F232-P234 WeakPolarHBondContact O-CD 2.91Å
233	L	78	Confident	82.5	Confident	93 Å²	93	73.4 Å²	73.4	49%	0.487	37%	0.368	S	S	.	.			trans	-76.6	119.8	179.5	-67	173.8	0	0	0	110.4	L229 G235 K236	L229-L233 PolarHBondContact O-N 2.83Å; L233-G235 VanDerWaalsContact C-N 3.25Å; L233-G235 PolarHBondContact O-N 2.99Å; L233-K236 HydrophobicContact CB-CB 4.22Å; L233-K236 HydrophobicContact CB-CG 3.89Å; L233-K236 HydrophobicContact CD1-CG 4.3Å; L233-K236 WeakPolarHBondContact O-CB 3.49Å; L233-K236 PolarHBondContact O-N 3.33Å
234	P	79.8	Confident	82.9	Confident	88 Å²	88	76.5 Å²	76.5	57%	0.571	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-55.3	-38.7	-179.3	-27.3	35.3	0	0	0	113.5	F232 K236 R237	F232-P234 WeakPolarHBondContact O-CD 2.91Å; P234-K236 PolarHBondContact O-N 3.31Å; P234-K236 VanDerWaalsContact O-N 3.12Å; P234-R237 VanDerWaalsContact O-CG 3.3Å; P234-R237 WeakPolarHBondContact O-CG 3.44Å; P234-R237 PolarHBondContact O-N 3.04Å
235	G	83	Confident	83.5	Confident	77 Å²	77	79.7 Å²	79.7	79%	0.794	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-66.5	-8.3	177.6	0	0	0	0	0	115.1	L233	L233-G235 VanDerWaalsContact C-N 3.25Å; L233-G235 PolarHBondContact O-N 2.99Å
236	K	85.8	Confident	84.1	Confident	87 Å²	87	79 Å²	79	38%	0.378	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-101.8	-1.2	179.3	-65.4	-62.5	-167	174.2	0	113.8	A230 L233 P234 K238 Q239 L240	A230-K236 WeakPolarHBondContact O-CB 3.12Å; L233-K236 HydrophobicContact CB-CB 4.22Å; L233-K236 HydrophobicContact CB-CG 3.89Å; L233-K236 HydrophobicContact CD1-CG 4.3Å; L233-K236 WeakPolarHBondContact O-CB 3.49Å; L233-K236 PolarHBondContact O-N 3.33Å; P234-K236 PolarHBondContact O-N 3.31Å; P234-K236 VanDerWaalsContact O-N 3.12Å; K236-K238 VanDerWaalsContact C-N 3.35Å; K236-K238 PolarHBondContact O-N 3.47Å; K236-Q239 VanDerWaalsContact CD-OE1 3.31Å; K236-Q239 PolarHBondContact O-N 3.34Å; K236-L240 HydrophobicContact CB-CD1 4.05Å; K236-L240 VanDerWaalsContact O-CD1 3.27Å; K236-L240 WeakPolarHBondContact O-CD1 3.37Å; K236-L240 PolarHBondContact O-N 3.24Å
237	R	88.5	Confident	85.3	Confident	185 Å²	185	74.9 Å²	74.9	70%	0.698	37%	0.367	S	S	*	.	H	α-helix	trans	-57.6	-41.6	-178.1	-71.7	175.2	-178.8	-179.3	1.6	113.5	P234 L240 R241	P234-R237 VanDerWaalsContact O-CG 3.3Å; P234-R237 WeakPolarHBondContact O-CG 3.44Å; P234-R237 PolarHBondContact O-N 3.04Å; R237-L240 PolarHBondContact O-N 3.02Å; R237-R241 PolarHBondContact O-N 3.39Å
238	K	91.4	Very high	86.6	Confident	132 Å²	132	77.6 Å²	77.6	57%	0.574	37%	0.373	S	S	*	.	H	α-helix	trans	-61.3	-52.4	176.5	179.9	178.7	170.7	-179.1	0	111.1	K236 L240 R241 E242	K236-K238 VanDerWaalsContact C-N 3.35Å; K236-K238 PolarHBondContact O-N 3.47Å; K238-L240 VanDerWaalsContact C-N 3.31Å; K238-L240 PolarHBondContact O-N 3.24Å; K238-R241 WeakPolarHBondContact O-CB 3.16Å; K238-R241 PolarHBondContact O-N 2.9Å; K238-R241 VanDerWaalsContact O-N 3.08Å; K238-E242 WeakPolarHBondContact CE-OE1 3.42Å; K238-E242 HydrophobicContact CG-CG 4.44Å; K238-E242 IonicContact NZ-OE1 2.72Å; K238-E242 WeakPolarHBondContact O-CG 3.24Å; K238-E242 PolarHBondContact O-N 3.18Å
239	Q	89.6	Confident	88.3	Confident	46 Å²	46	78.7 Å²	78.7	22%	0.215	37%	0.374	C	S	.	.	H	α-helix	trans	-56.4	-45.2	177.3	-175.7	177.6	15.2	0	0	111.5	K236 R241 E242 V243	K236-Q239 VanDerWaalsContact CD-OE1 3.31Å; K236-Q239 PolarHBondContact O-N 3.34Å; Q239-R241 VanDerWaalsContact C-N 3.33Å; Q239-R241 PolarHBondContact O-N 3.31Å; Q239-E242 PolarHBondContact O-N 2.64Å; Q239-V243 HydrophobicContact CG-CG2 4.46Å; Q239-V243 WeakPolarHBondContact O-CB 3.43Å; Q239-V243 WeakPolarHBondContact O-CG2 3.34Å; Q239-V243 PolarHBondContact O-N 3.1Å
240	L	91.7	Very high	89.7	Confident	16 Å²	16	75.3 Å²	75.3	8%	0.084	36%	0.356	C	S	.	.	H	α-helix	trans	-58.8	-44.4	176.7	-97.5	70.1	0	0	0	112	F116 K231 K236 R237 K238 R244	F116-L240 HydrophobicContact CD1-CD1 4.43Å; F116-L240 HydrophobicContact CD1-CD2 4.31Å; F116-L240 HydrophobicContact CD1-CG 4.05Å; F116-L240 HydrophobicContact CD2-CG 4.13Å; F116-L240 HydrophobicContact CE1-CD1 4.15Å; F116-L240 HydrophobicContact CE1-CG 4.27Å; F116-L240 HydrophobicContact CE2-CD1 4.28Å; F116-L240 HydrophobicContact CE2-CG 4.35Å; F116-L240 HydrophobicContact CG-CG 3.99Å; F116-L240 HydrophobicContact CZ-CD1 4.08Å; F116-L240 HydrophobicContact CZ-CG 4.43Å; K231-L240 HydrophobicContact CB-CD2 4.02Å; K236-L240 HydrophobicContact CB-CD1 4.05Å; K236-L240 VanDerWaalsContact O-CD1 3.27Å; K236-L240 WeakPolarHBondContact O-CD1 3.37Å; K236-L240 PolarHBondContact O-N 3.24Å; R237-L240 PolarHBondContact O-N 3.02Å; K238-L240 VanDerWaalsContact C-N 3.31Å; K238-L240 PolarHBondContact O-N 3.24Å; L240-R244 VanDerWaalsContact O-CG 3.26Å; L240-R244 WeakPolarHBondContact O-CG 3.48Å; L240-R244 PolarHBondContact O-N 2.99Å; L240-R244 VanDerWaalsContact O-N 3.1Å
241	R	94.6	Very high	91	Very high	136 Å²	136	75.2 Å²	75.2	51%	0.513	35%	0.353	S	S	.	.	H	α-helix	trans	-63.8	-48.5	178.7	-173.4	-174	66.2	-145.5	-2.1	111.4	R237 K238 Q239 V243 R244 E245	R237-R241 PolarHBondContact O-N 3.39Å; K238-R241 WeakPolarHBondContact O-CB 3.16Å; K238-R241 PolarHBondContact O-N 2.9Å; K238-R241 VanDerWaalsContact O-N 3.08Å; Q239-R241 VanDerWaalsContact C-N 3.33Å; Q239-R241 PolarHBondContact O-N 3.31Å; R241-V243 VanDerWaalsContact C-N 3.32Å; R241-V243 PolarHBondContact O-N 2.86Å; R241-R244 WeakPolarHBondContact O-CB 3.23Å; R241-R244 PolarHBondContact O-N 2.75Å; R241-R244 VanDerWaalsContact O-N 3.13Å; R241-E245 WeakPolarHBondContact CD-OE1 3.28Å; R241-E245 HydrophobicContact CG-CG 4.43Å; R241-E245 VanDerWaalsContact CG-OE1 3.26Å; R241-E245 WeakPolarHBondContact CG-OE1 3.27Å; R241-E245 IonicContact NE-OE1 3.36Å; R241-E245 WeakPolarHBondContact O-CG 3.26Å; R241-E245 PolarHBondContact O-N 3.39Å
242	E	96.4	Very high	92.2	Very high	56 Å²	56	73.6 Å²	73.6	26%	0.262	35%	0.347	S	S	.	.	H	α-helix	trans	-61.4	-39.2	179.8	-71.6	171.4	162.7	0	0	112	L217 K238 Q239 E245 S246	L217-E242 HydrophobicContact CD1-CB 4.38Å; K238-E242 WeakPolarHBondContact CE-OE1 3.42Å; K238-E242 HydrophobicContact CG-CG 4.44Å; K238-E242 IonicContact NZ-OE1 2.72Å; K238-E242 WeakPolarHBondContact O-CG 3.24Å; K238-E242 PolarHBondContact O-N 3.18Å; Q239-E242 PolarHBondContact O-N 2.64Å; E242-E245 PolarHBondContact O-N 2.86Å; E242-S246 WeakPolarHBondContact O-CB 3.03Å; E242-S246 PolarHBondContact O-N 2.96Å; E242-S246 PolarHBondContact O-OG 3.41Å
243	V	96.2	Very high	93.3	Very high	1 Å²	1	67.2 Å²	67.2	1%	0.006	32%	0.32	C	S	.	.	H	α-helix	trans	-62.1	-47.6	173.3	171.6	0	0	0	0	110.6	V115 F116 L217 Q239 R241 E245 S246 I247	V115-V243 HydrophobicContact CG1-CG1 3.98Å; F116-V243 HydrophobicContact CD2-CB 4.06Å; F116-V243 HydrophobicContact CD2-CG1 3.73Å; F116-V243 HydrophobicContact CD2-CG2 4.47Å; F116-V243 HydrophobicContact CE2-CB 4.39Å; F116-V243 HydrophobicContact CE2-CG1 4.17Å; F116-V243 HydrophobicContact CE2-CG2 4.3Å; L217-V243 WeakPolarHBondContact O-CG2 3.33Å; Q239-V243 HydrophobicContact CG-CG2 4.46Å; Q239-V243 WeakPolarHBondContact O-CB 3.43Å; Q239-V243 WeakPolarHBondContact O-CG2 3.34Å; Q239-V243 PolarHBondContact O-N 3.1Å; R241-V243 VanDerWaalsContact C-N 3.32Å; R241-V243 PolarHBondContact O-N 2.86Å; V243-E245 PolarHBondContact O-N 3.36Å; V243-S246 WeakPolarHBondContact O-CB 3.35Å; V243-S246 PolarHBondContact O-N 3.41Å; V243-I247 HydrophobicContact CG1-CD1 3.87Å; V243-I247 HydrophobicContact CG1-CG1 4.48Å; V243-I247 VanDerWaalsContact O-CG1 3.25Å; V243-I247 WeakPolarHBondContact O-CG1 3.45Å; V243-I247 PolarHBondContact O-N 2.72Å
244	R	96.9	Very high	94.2	Very high	98 Å²	98	62.8 Å²	62.8	37%	0.37	30%	0.297	S	S	.	.	H	α-helix	trans	-62.4	-42.7	179.1	-69.2	-179.8	-177.2	164.9	-0.4	112.2	F116 E118 L240 R241 S246 I247 R248	F116-R244 HydrophobicContact CB-CG 4.34Å; F116-R244 VanDerWaalsContact O-CZ 3.27Å; F116-R244 PolarHBondContact O-NE 2.95Å; F116-R244 PolarHBondContact O-NH2 2.92Å; E118-R244 HydrophobicContact CG-CB 3.65Å; E118-R244 HydrophobicContact CG-CG 3.56Å; L240-R244 VanDerWaalsContact O-CG 3.26Å; L240-R244 WeakPolarHBondContact O-CG 3.48Å; L240-R244 PolarHBondContact O-N 2.99Å; L240-R244 VanDerWaalsContact O-N 3.1Å; R241-R244 WeakPolarHBondContact O-CB 3.23Å; R241-R244 PolarHBondContact O-N 2.75Å; R241-R244 VanDerWaalsContact O-N 3.13Å; R244-S246 VanDerWaalsContact C-N 3.34Å; R244-I247 PolarHBondContact O-N 2.9Å; R244-R248 WeakPolarHBondContact O-CG 3.42Å; R244-R248 PolarHBondContact O-N 2.71Å
245	E	98.3	Very high	95.1	Very high	87 Å²	87	63 Å²	63	41%	0.407	29%	0.286	S	S	.	.	H	α-helix	trans	-60.8	-43.4	175	-73.8	166	179.2	0	0	111.3	R241 E242 V243 I247 R248 F249	R241-E245 WeakPolarHBondContact CD-OE1 3.28Å; R241-E245 HydrophobicContact CG-CG 4.43Å; R241-E245 VanDerWaalsContact CG-OE1 3.26Å; R241-E245 WeakPolarHBondContact CG-OE1 3.27Å; R241-E245 IonicContact NE-OE1 3.36Å; R241-E245 WeakPolarHBondContact O-CG 3.26Å; R241-E245 PolarHBondContact O-N 3.39Å; E242-E245 PolarHBondContact O-N 2.86Å; V243-E245 PolarHBondContact O-N 3.36Å; E245-I247 PolarHBondContact O-N 3.44Å; E245-R248 VanDerWaalsContact CG-NH2 3.25Å; E245-R248 PolarHBondContact O-N 2.93Å; E245-F249 VanDerWaalsContact O-CB 3.3Å; E245-F249 WeakPolarHBondContact O-CB 3.2Å; E245-F249 PolarHBondContact O-N 3.35Å
246	S	98.5	Very high	95.9	Very high	10 Å²	10	62.7 Å²	62.7	7%	0.07	27%	0.266	C	S	.	.	H	α-helix	trans	-62.6	-39.5	177.3	-59.9	0	0	0	0	112.7	A214 E242 V243 R244 F249 L250	A214-S246 WeakPolarHBondContact O-CB 3.47Å; E242-S246 WeakPolarHBondContact O-CB 3.03Å; E242-S246 PolarHBondContact O-N 2.96Å; E242-S246 PolarHBondContact O-OG 3.41Å; V243-S246 WeakPolarHBondContact O-CB 3.35Å; V243-S246 PolarHBondContact O-N 3.41Å; R244-S246 VanDerWaalsContact C-N 3.34Å; S246-F249 PolarHBondContact O-N 3.39Å; S246-L250 PolarHBondContact O-N 3.37Å
247	I	98.4	Very high	96.5	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-65.8	-47.4	176.5	-64.5	166.5	0	0	0	110.5	V115 E118 R119 L120 M218 V243 R244 E245 F249 L250 R251	V115-I247 HydrophobicContact CB-CD1 3.75Å; V115-I247 HydrophobicContact CG1-CD1 4.2Å; E118-I247 HydrophobicContact CB-CB 4.18Å; E118-I247 HydrophobicContact CB-CD1 3.92Å; E118-I247 HydrophobicContact CB-CG2 3.87Å; R119-I247 VanDerWaalsContact O-CG2 3.24Å; R119-I247 WeakPolarHBondContact O-CG2 3.41Å; L120-I247 HydrophobicContact CB-CG2 4.13Å; L120-I247 HydrophobicContact CD1-CG1 4.11Å; L120-I247 HydrophobicContact CD1-CG2 4Å; M218-I247 HydrophobicContact CB-CG1 4.16Å; V243-I247 HydrophobicContact CG1-CD1 3.87Å; V243-I247 HydrophobicContact CG1-CG1 4.48Å; V243-I247 VanDerWaalsContact O-CG1 3.25Å; V243-I247 WeakPolarHBondContact O-CG1 3.45Å; V243-I247 PolarHBondContact O-N 2.72Å; R244-I247 PolarHBondContact O-N 2.9Å; E245-I247 PolarHBondContact O-N 3.44Å; I247-F249 VanDerWaalsContact C-N 3.32Å; I247-F249 PolarHBondContact O-N 2.84Å; I247-L250 PolarHBondContact O-N 3.49Å; I247-R251 PolarHBondContact O-N 3.39Å; I247-R251 VanDerWaalsContact O-N 3.07Å
248	R	98.6	Very high	96.9	Very high	108 Å²	108	50.8 Å²	50.8	41%	0.408	22%	0.219	S	C	.	.	H	α-helix	trans	-63.3	-39.8	177.4	-70.2	-170.8	-59.1	-94.8	-2.5	111.8	E118 R244 E245 R251 Q252	E118-R248 IonicContact OE1-CZ 3.83Å; E118-R248 IonicContact OE1-NH1 2.73Å; E118-R248 PolarHBondContact OE1-NH1 3.45Å; R244-R248 WeakPolarHBondContact O-CG 3.42Å; R244-R248 PolarHBondContact O-N 2.71Å; E245-R248 VanDerWaalsContact CG-NH2 3.25Å; E245-R248 PolarHBondContact O-N 2.93Å; R248-R251 PolarHBondContact O-N 3.27Å; R248-Q252 WeakPolarHBondContact O-CB 3.49Å; R248-Q252 PolarHBondContact O-N 3.25Å
249	F	98.7	Very high	97.2	Very high	81 Å²	81	48.2 Å²	48.2	36%	0.355	21%	0.209	S	C	.	.	H	α-helix	trans	-58.5	-50.7	175.2	176.2	-97.5	0	0	0	111.4	P210 L211 A214 E245 S246 I247 R251 Q252 V253	P210-F249 HydrophobicContact CB-CZ 4.5Å; L211-F249 HydrophobicContact CB-CE1 4.06Å; L211-F249 HydrophobicContact CD1-CD1 4.47Å; L211-F249 HydrophobicContact CD1-CE1 3.88Å; A214-F249 HydrophobicContact CB-CD1 3.77Å; A214-F249 HydrophobicContact CB-CE1 4.37Å; E245-F249 VanDerWaalsContact O-CB 3.3Å; E245-F249 WeakPolarHBondContact O-CB 3.2Å; E245-F249 PolarHBondContact O-N 3.35Å; S246-F249 PolarHBondContact O-N 3.39Å; I247-F249 VanDerWaalsContact C-N 3.32Å; I247-F249 PolarHBondContact O-N 2.84Å; F249-R251 VanDerWaalsContact C-N 3.34Å; F249-R251 PolarHBondContact O-N 3.33Å; F249-Q252 WeakPolarHBondContact O-CA 3.22Å; F249-Q252 WeakPolarHBondContact O-CB 3.5Å; F249-Q252 PolarHBondContact O-N 3.47Å; F249-V253 HydrophobicContact CD1-CG2 4.35Å; F249-V253 HydrophobicContact CE1-CG2 3.87Å; F249-V253 HydrophobicContact CE2-CG2 4.45Å; F249-V253 HydrophobicContact CZ-CG2 3.93Å; F249-V253 PolarHBondContact O-N 3.03Å
250	L	98.6	Very high	97.6	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-63	-39.7	179.3	178.2	63.1	0	0	0	112.5	L211 M218 S246 I247 Q252 V253 G254 F296 V297 F300 I301	L211-L250 HydrophobicContact CD1-CD1 3.87Å; M218-L250 HydrophobicContact CE-CB 3.66Å; M218-L250 HydrophobicContact CE-CD2 3.55Å; M218-L250 HydrophobicContact CE-CG 4.2Å; M218-L250 HydrophobicContact SD-CD2 3.55Å; M218-L250 VanDerWaalsContact SD-CD2 3.55Å; S246-L250 PolarHBondContact O-N 3.37Å; I247-L250 PolarHBondContact O-N 3.49Å; L250-Q252 VanDerWaalsContact C-N 3.27Å; L250-Q252 PolarHBondContact O-N 2.94Å; L250-V253 WeakPolarHBondContact O-CB 3.33Å; L250-V253 PolarHBondContact O-N 3.06Å; L250-G254 PolarHBondContact O-N 2.94Å; L250-F296 HydrophobicContact CD1-CE1 4.18Å; L250-V297 HydrophobicContact CD2-CG1 4.03Å; L250-V297 HydrophobicContact CD2-CG2 4.23Å; L250-V297 HydrophobicContact CG-CG2 4.24Å; L250-F300 HydrophobicContact CD1-CD1 3.51Å; L250-F300 HydrophobicContact CD1-CE1 3.62Å; L250-F300 HydrophobicContact CD1-CG 4.02Å; L250-F300 HydrophobicContact CD1-CZ 4.23Å; L250-F300 HydrophobicContact CD2-CD1 4.18Å; L250-F300 HydrophobicContact CG-CD1 4.47Å; L250-I301 HydrophobicContact CD2-CD1 3.96Å; L250-I301 HydrophobicContact CD2-CG1 4.05Å
251	R	98.6	Very high	97.9	Very high	12 Å²	12	52.8 Å²	52.8	5%	0.045	22%	0.223	C	C	.	.	H	α-helix	trans	-64.4	-34.1	174.1	-69.8	-176.2	77.1	84	-2.9	112.1	R119 L120 I247 R248 F249 G254 R255 E290 D294 V297	R119-R251 WeakPolarHBondContact O-CD 3.24Å; L120-R251 PolarHBondContact O-NH1 2.95Å; L120-R251 VanDerWaalsContact O-NH1 3.13Å; I247-R251 PolarHBondContact O-N 3.39Å; I247-R251 VanDerWaalsContact O-N 3.07Å; R248-R251 PolarHBondContact O-N 3.27Å; F249-R251 VanDerWaalsContact C-N 3.34Å; F249-R251 PolarHBondContact O-N 3.33Å; R251-G254 PolarHBondContact O-N 2.88Å; R251-R255 PolarHBondContact O-N 3.12Å; R251-E290 IonicContact CZ-OE2 3.18Å; R251-E290 IonicContact NE-OE2 3.8Å; R251-E290 PolarHBondContact NH2-O 2.88Å; R251-E290 IonicContact NH2-OE2 3.65Å; R251-E290 PolarHBondContact NH2-OE2 3.25Å; R251-D294 IonicContact CZ-OD1 3.47Å; R251-D294 IonicContact NH1-OD1 2.76Å; R251-D294 PolarHBondContact NH1-OD1 3.21Å; R251-D294 IonicContact NH2-OD1 3.36Å; R251-D294 PolarHBondContact NH2-OD1 3.31Å; R251-D294 VanDerWaalsContact NH2-OD1 3.13Å; R251-V297 HydrophobicContact CG-CG2 3.88Å
252	Q	98.6	Very high	98	Very high	82 Å²	82	50 Å²	50	38%	0.383	21%	0.213	S	C	.	.	H	α-helix	trans	-67	-43.1	174.5	-171.2	56.7	41.5	0	0	111.8	R248 F249 L250 G254 R255 D256	R248-Q252 WeakPolarHBondContact O-CB 3.49Å; R248-Q252 PolarHBondContact O-N 3.25Å; F249-Q252 WeakPolarHBondContact O-CA 3.22Å; F249-Q252 WeakPolarHBondContact O-CB 3.5Å; F249-Q252 PolarHBondContact O-N 3.47Å; L250-Q252 VanDerWaalsContact C-N 3.27Å; L250-Q252 PolarHBondContact O-N 2.94Å; Q252-G254 PolarHBondContact O-N 3.08Å; Q252-R255 WeakPolarHBondContact O-CB 3.48Å; Q252-R255 PolarHBondContact O-N 3.33Å; Q252-D256 PolarHBondContact NE2-OD1 3.36Å; Q252-D256 VanDerWaalsContact O-CG 3.23Å; Q252-D256 PolarHBondContact O-N 3.03Å
253	V	98.6	Very high	98	Very high	16 Å²	16	51 Å²	51	10%	0.097	22%	0.218	C	C	.	.	H	α-helix	trans	-54.8	-41.8	171.2	174	0	0	0	0	110.6	L211 F249 L250 R255 D256 W257 F296	L211-V253 HydrophobicContact CD1-CG2 4.36Å; F249-V253 HydrophobicContact CD1-CG2 4.35Å; F249-V253 HydrophobicContact CE1-CG2 3.87Å; F249-V253 HydrophobicContact CE2-CG2 4.45Å; F249-V253 HydrophobicContact CZ-CG2 3.93Å; F249-V253 PolarHBondContact O-N 3.03Å; L250-V253 WeakPolarHBondContact O-CB 3.33Å; L250-V253 PolarHBondContact O-N 3.06Å; V253-R255 PolarHBondContact O-N 3.24Å; V253-D256 PolarHBondContact O-N 3.39Å; V253-W257 HydrophobicContact CG1-CD2 4.2Å; V253-W257 HydrophobicContact CG1-CG 4.37Å; V253-W257 HydrophobicContact CG1-CZ2 4.14Å; V253-W257 PolarHBondContact O-N 3.04Å; V253-F296 HydrophobicContact CG1-CZ 4.27Å
254	G	98.4	Very high	98	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-58.7	-45	173.3	0	0	0	0	0	113.8	L250 R251 Q252 D256 W257 V258 F296	L250-G254 PolarHBondContact O-N 2.94Å; R251-G254 PolarHBondContact O-N 2.88Å; Q252-G254 PolarHBondContact O-N 3.08Å; G254-D256 VanDerWaalsContact C-N 3.33Å; G254-D256 PolarHBondContact O-N 3.24Å; G254-W257 PolarHBondContact O-N 2.97Å; G254-V258 WeakPolarHBondContact O-CB 3.3Å; G254-V258 WeakPolarHBondContact O-CG2 3.39Å; G254-V258 PolarHBondContact O-N 3.28Å; G254-F296 VanDerWaalsContact CA-CZ 3.43Å
255	R	98.6	Very high	97.9	Very high	94 Å²	94	51.3 Å²	51.3	36%	0.355	23%	0.227	S	C	.	.	H	α-helix	trans	-59.9	-45.4	174.9	-68.8	-175.1	-171.3	99.1	6.8	111.3	R251 Q252 V253 W257 V258 Q259 E290 L293	R251-R255 PolarHBondContact O-N 3.12Å; Q252-R255 WeakPolarHBondContact O-CB 3.48Å; Q252-R255 PolarHBondContact O-N 3.33Å; V253-R255 PolarHBondContact O-N 3.24Å; R255-W257 PolarHBondContact O-N 2.93Å; R255-V258 PolarHBondContact O-N 3.33Å; R255-Q259 VanDerWaalsContact O-CB 3.25Å; R255-Q259 WeakPolarHBondContact O-CB 3.49Å; R255-Q259 PolarHBondContact O-N 3.14Å; R255-E290 IonicContact NH2-OE1 3.69Å; R255-E290 PolarHBondContact NH2-OE1 3.27Å; R255-E290 VanDerWaalsContact NH2-OE1 3.08Å; R255-L293 HydrophobicContact CG-CD1 3.61Å; R255-L293 HydrophobicContact CG-CD2 3.76Å; R255-L293 HydrophobicContact CG-CG 4.3Å
256	D	98.5	Very high	97.7	Very high	69 Å²	69	55.4 Å²	55.4	37%	0.369	24%	0.243	S	C	.	.	H	α-helix	trans	-65.2	-40.5	-177.6	-59	-14.3	0	0	0	111.2	Q252 V253 G254 Q259 R260	Q252-D256 PolarHBondContact NE2-OD1 3.36Å; Q252-D256 VanDerWaalsContact O-CG 3.23Å; Q252-D256 PolarHBondContact O-N 3.03Å; V253-D256 PolarHBondContact O-N 3.39Å; G254-D256 VanDerWaalsContact C-N 3.33Å; G254-D256 PolarHBondContact O-N 3.24Å; D256-Q259 PolarHBondContact O-N 3.14Å; D256-R260 VanDerWaalsContact O-CG 3.32Å; D256-R260 WeakPolarHBondContact O-CG 3.3Å; D256-R260 PolarHBondContact O-N 3.45Å
257	W	98.4	Very high	97.6	Very high	21 Å²	21	62 Å²	62	8%	0.08	27%	0.267	C	S	.	.	H	α-helix	trans	-72.3	-40.9	179.9	-71.6	21.5	0	0	0	112.1	A193 F197 M199 T201 V253 G254 R255 Q259 R260 R261 F296 F300	A193-W257 HydrophobicContact CB-CH2 3.67Å; A193-W257 HydrophobicContact CB-CZ3 4.06Å; F197-W257 HydrophobicContact CB-CE3 3.57Å; F197-W257 HydrophobicContact CB-CZ3 3.76Å; F197-W257 AromaticContact CD2-CE3 3.99Å; F197-W257 HydrophobicContact CD2-CE3 3.99Å; F197-W257 AromaticContact CD2-CZ3 3.64Å; F197-W257 HydrophobicContact CD2-CZ3 3.64Å; F197-W257 HydrophobicContact CE2-CZ3 4.47Å; F197-W257 AromaticContact CG-CE3 3.79Å; F197-W257 HydrophobicContact CG-CE3 3.79Å; F197-W257 AromaticContact CG-CZ3 3.89Å; F197-W257 HydrophobicContact CG-CZ3 3.89Å; M199-W257 HydrophobicContact CB-CD2 4Å; M199-W257 HydrophobicContact CB-CE3 3.81Å; M199-W257 HydrophobicContact CB-CH2 3.69Å; M199-W257 HydrophobicContact CB-CZ2 3.85Å; M199-W257 HydrophobicContact CB-CZ3 3.66Å; M199-W257 HydrophobicContact CE-CD2 4.22Å; M199-W257 HydrophobicContact CE-CG 4.08Å; M199-W257 HydrophobicContact CG-CB 4.5Å; M199-W257 HydrophobicContact CG-CD2 3.52Å; M199-W257 HydrophobicContact CG-CE3 3.48Å; M199-W257 VanDerWaalsContact CG-CE3 3.48Å; M199-W257 HydrophobicContact CG-CG 3.98Å; M199-W257 HydrophobicContact CG-CH2 4.3Å; M199-W257 HydrophobicContact CG-CZ2 4.31Å; M199-W257 HydrophobicContact CG-CZ3 3.9Å; T201-W257 HydrophobicContact CG2-CH2 3.74Å; T201-W257 HydrophobicContact CG2-CZ2 3.88Å; V253-W257 HydrophobicContact CG1-CD2 4.2Å; V253-W257 HydrophobicContact CG1-CG 4.37Å; V253-W257 HydrophobicContact CG1-CZ2 4.14Å; V253-W257 PolarHBondContact O-N 3.04Å; G254-W257 PolarHBondContact O-N 2.97Å; R255-W257 PolarHBondContact O-N 2.93Å; W257-Q259 VanDerWaalsContact C-N 3.29Å; W257-Q259 PolarHBondContact O-N 3.19Å; W257-R260 PolarHBondContact O-N 2.89Å; W257-R261 PolarHBondContact O-N 2.97Å; W257-F296 HydrophobicContact CB-CE2 4.17Å; W257-F296 HydrophobicContact CD2-CE2 4.16Å; W257-F296 HydrophobicContact CD2-CZ 4.24Å; W257-F296 AromaticContact CE3-CE2 3.66Å; W257-F296 HydrophobicContact CE3-CE2 3.66Å; W257-F296 AromaticContact CE3-CZ 3.94Å; W257-F296 HydrophobicContact CE3-CZ 3.94Å; W257-F296 HydrophobicContact CG-CE2 4.42Å; W257-F296 HydrophobicContact CZ3-CE2 4.4Å; W257-F296 HydrophobicContact CZ3-CZ 4.46Å; W257-F300 AromaticContact CH2-CE2 3.94Å; W257-F300 HydrophobicContact CH2-CE2 3.94Å; W257-F300 HydrophobicContact CZ3-CD2 4.36Å; W257-F300 HydrophobicContact CZ3-CE2 4.13Å
258	V	97.8	Very high	97.4	Very high	2 Å²	2	65 Å²	65	1%	0.012	30%	0.298	C	S	.	.	H	α-helix	trans	-58.7	-44.1	170.9	164.3	0	0	0	0	110.6	G254 R255 R261 R262 L276 L280 L292	G254-V258 WeakPolarHBondContact O-CB 3.3Å; G254-V258 WeakPolarHBondContact O-CG2 3.39Å; G254-V258 PolarHBondContact O-N 3.28Å; R255-V258 PolarHBondContact O-N 3.33Å; V258-R261 WeakPolarHBondContact O-CB 3.26Å; V258-R261 PolarHBondContact O-N 3.33Å; V258-R262 WeakPolarHBondContact O-CG 3.48Å; V258-R262 PolarHBondContact O-N 2.9Å; V258-L276 HydrophobicContact CG2-CD1 4.15Å; V258-L280 HydrophobicContact CG1-CD2 4.28Å; V258-L292 HydrophobicContact CB-CD2 4.21Å; V258-L292 HydrophobicContact CG1-CD2 3.52Å; V258-L292 HydrophobicContact CG2-CD2 3.61Å; V258-L292 HydrophobicContact CG2-CG 4.2Å
259	Q	97.9	Very high	97.2	Very high	78 Å²	78	64.2 Å²	64.2	36%	0.364	30%	0.299	S	S	.	.	H	α-helix	trans	-63.6	-46.7	179.8	-178.5	60.3	21.3	0	0	111.3	R255 D256 W257 R261 R262 E263	R255-Q259 VanDerWaalsContact O-CB 3.25Å; R255-Q259 WeakPolarHBondContact O-CB 3.49Å; R255-Q259 PolarHBondContact O-N 3.14Å; D256-Q259 PolarHBondContact O-N 3.14Å; W257-Q259 VanDerWaalsContact C-N 3.29Å; W257-Q259 PolarHBondContact O-N 3.19Å; Q259-R261 VanDerWaalsContact C-N 3.29Å; Q259-R261 PolarHBondContact O-N 3.44Å; Q259-R262 PolarHBondContact O-N 3.3Å; Q259-R262 VanDerWaalsContact O-N 3.14Å; Q259-E263 WeakPolarHBondContact CG-OE1 3.37Å; Q259-E263 PolarHBondContact NE2-OE1 3.35Å; Q259-E263 WeakPolarHBondContact O-CG 3.32Å; Q259-E263 PolarHBondContact O-N 3.42Å
260	R	97.8	Very high	96.9	Very high	143 Å²	143	69.7 Å²	69.7	54%	0.54	33%	0.326	S	S	.	.	H	α-helix	trans	-56.5	-42.8	174.6	-72.4	175.8	-167.2	-164.4	5.8	112	M199 D256 W257 E263 A264	M199-R260 VanDerWaalsContact CE-NH1 3.28Å; D256-R260 VanDerWaalsContact O-CG 3.32Å; D256-R260 WeakPolarHBondContact O-CG 3.3Å; D256-R260 PolarHBondContact O-N 3.45Å; W257-R260 PolarHBondContact O-N 2.89Å; R260-E263 PolarHBondContact O-N 3.05Å; R260-A264 PolarHBondContact O-N 3.43Å
261	R	97.2	Very high	96.6	Very high	14 Å²	14	71.8 Å²	71.8	5%	0.053	34%	0.339	C	S	.	.	H	α-helix	trans	-61.4	-47.4	175.4	177.4	58.9	61.5	89.8	4.2	111.9	F197 W257 V258 Q259 E263 A264 L265 D274 L276 T277 L280	F197-R261 PolarHBondContact O-NH2 3.18Å; W257-R261 PolarHBondContact O-N 2.97Å; V258-R261 WeakPolarHBondContact O-CB 3.26Å; V258-R261 PolarHBondContact O-N 3.33Å; Q259-R261 VanDerWaalsContact C-N 3.29Å; Q259-R261 PolarHBondContact O-N 3.44Å; R261-E263 VanDerWaalsContact C-N 3.3Å; R261-E263 PolarHBondContact O-N 3.08Å; R261-A264 PolarHBondContact O-N 3.2Å; R261-L265 HydrophobicContact CG-CD1 4.24Å; R261-L265 WeakPolarHBondContact O-CG 3.37Å; R261-L265 PolarHBondContact O-N 3.45Å; R261-L265 VanDerWaalsContact O-N 3.1Å; R261-D274 IonicContact CZ-OD1 3.43Å; R261-D274 IonicContact CZ-OD2 3.08Å; R261-D274 IonicContact NH1-OD1 3.53Å; R261-D274 PolarHBondContact NH1-OD1 3.41Å; R261-D274 IonicContact NH1-OD2 3.52Å; R261-D274 PolarHBondContact NH1-OD2 2.65Å; R261-D274 IonicContact NH2-OD1 2.73Å; R261-D274 IonicContact NH2-OD2 3.43Å; R261-D274 PolarHBondContact NH2-OD2 2.93Å; R261-L276 HydrophobicContact CB-CD2 3.8Å; R261-L276 HydrophobicContact CG-CD2 3.99Å; R261-L276 HydrophobicContact CG-CG 4.4Å; R261-T277 PolarHBondContact NH1-OG1 3.26Å; R261-T277 VanDerWaalsContact NH1-OG1 3.13Å; R261-L280 HydrophobicContact CG-CD1 3.71Å
262	R	96.2	Very high	96.3	Very high	78 Å²	78	76.3 Å²	76.3	29%	0.294	37%	0.369	S	S	.	.	H	α-helix	trans	-61.3	-39.2	178	-74.5	173.6	172	163.9	-1	112	V258 Q259 K266 D289	V258-R262 WeakPolarHBondContact O-CG 3.48Å; V258-R262 PolarHBondContact O-N 2.9Å; Q259-R262 PolarHBondContact O-N 3.3Å; Q259-R262 VanDerWaalsContact O-N 3.14Å; R262-K266 WeakPolarHBondContact O-CB 3.5Å; R262-K266 VanDerWaalsContact O-CG 3.3Å; R262-K266 WeakPolarHBondContact O-CG 3.39Å; R262-K266 PolarHBondContact O-N 3.43Å; R262-D289 IonicContact CZ-OD1 2.83Å; R262-D289 IonicContact CZ-OD2 3.59Å; R262-D289 IonicContact NH1-OD1 3.4Å; R262-D289 IonicContact NH1-OD2 3.59Å; R262-D289 PolarHBondContact NH1-OD2 2.92Å; R262-D289 IonicContact NH2-OD1 3.49Å; R262-D289 PolarHBondContact NH2-OD1 3.37Å; R262-D289 IonicContact NH2-OD2 2.7Å; R262-D289 PolarHBondContact NH2-OD2 3.35Å
263	E	97.1	Very high	96	Very high	78 Å²	78	76.1 Å²	76.1	36%	0.364	38%	0.382	S	S	.	.	H	α-helix	trans	-67.8	-42.3	177.9	-71.7	173.1	-175	0	0	112.5	Q259 R260 R261 L265 K266 R267	Q259-E263 WeakPolarHBondContact CG-OE1 3.37Å; Q259-E263 PolarHBondContact NE2-OE1 3.35Å; Q259-E263 WeakPolarHBondContact O-CG 3.32Å; Q259-E263 PolarHBondContact O-N 3.42Å; R260-E263 PolarHBondContact O-N 3.05Å; R261-E263 VanDerWaalsContact C-N 3.3Å; R261-E263 PolarHBondContact O-N 3.08Å; E263-L265 PolarHBondContact O-N 2.87Å; E263-K266 PolarHBondContact O-N 3.46Å; E263-R267 WeakPolarHBondContact O-CG 3.29Å; E263-R267 PolarHBondContact O-N 2.92Å
264	A	96.2	Very high	95.9	Very high	9 Å²	9	76.3 Å²	76.3	7%	0.074	38%	0.382	C	S	.	.	H	α-helix	trans	-57.3	-48.6	173.5	0	0	0	0	0	111.6	R260 R261 K266 R267 G268 E269 V271	R260-A264 PolarHBondContact O-N 3.43Å; R261-A264 PolarHBondContact O-N 3.2Å; A264-K266 VanDerWaalsContact C-N 3.34Å; A264-K266 PolarHBondContact O-N 2.77Å; A264-R267 PolarHBondContact O-N 3.25Å; A264-R267 VanDerWaalsContact O-N 3.13Å; A264-G268 PolarHBondContact O-N 3.14Å; A264-E269 HydrophobicContact CB-CB 4.28Å; A264-E269 VanDerWaalsContact CB-OE2 3.24Å; A264-E269 WeakPolarHBondContact CB-OE2 3.39Å; A264-E269 WeakPolarHBondContact O-CB 3.41Å; A264-E269 PolarHBondContact O-N 3.4Å; A264-E269 VanDerWaalsContact O-N 3.09Å; A264-V271 HydrophobicContact CB-CG2 4.07Å
265	L	94.4	Very high	95.9	Very high	95 Å²	95	76.7 Å²	76.7	50%	0.497	38%	0.384	S	S	.	.	H	α-helix	trans	-62.2	-38.9	177	-66.2	172.7	0	0	0	112.4	R261 E263 R267 G268 V271	R261-L265 HydrophobicContact CG-CD1 4.24Å; R261-L265 WeakPolarHBondContact O-CG 3.37Å; R261-L265 PolarHBondContact O-N 3.45Å; R261-L265 VanDerWaalsContact O-N 3.1Å; E263-L265 PolarHBondContact O-N 2.87Å; L265-R267 VanDerWaalsContact C-N 3.3Å; L265-R267 PolarHBondContact O-N 3.39Å; L265-G268 PolarHBondContact O-N 3.31Å; L265-G268 VanDerWaalsContact O-N 3.12Å; L265-V271 HydrophobicContact CD2-CB 4.34Å; L265-V271 HydrophobicContact CD2-CG2 4.27Å
266	K	95.4	Very high	95.8	Very high	173 Å²	173	72.2 Å²	72.2	75%	0.752	37%	0.368	S	S	*	.	H	α-helix	trans	-65.3	-31.5	175.4	-78.6	177.2	179.8	-176.6	0	113.1	R262 E263 A264 G268	R262-K266 WeakPolarHBondContact O-CB 3.5Å; R262-K266 VanDerWaalsContact O-CG 3.3Å; R262-K266 WeakPolarHBondContact O-CG 3.39Å; R262-K266 PolarHBondContact O-N 3.43Å; E263-K266 PolarHBondContact O-N 3.46Å; A264-K266 VanDerWaalsContact C-N 3.34Å; A264-K266 PolarHBondContact O-N 2.77Å; K266-G268 PolarHBondContact O-N 2.97Å
267	R	96.1	Very high	95.7	Very high	148 Å²	148	70.9 Å²	70.9	56%	0.558	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-4.3	174.6	-69.7	-170.9	-59.2	-91.1	-2.6	113.2	E263 A264 L265 E269	E263-R267 WeakPolarHBondContact O-CG 3.29Å; E263-R267 PolarHBondContact O-N 2.92Å; A264-R267 PolarHBondContact O-N 3.25Å; A264-R267 VanDerWaalsContact O-N 3.13Å; L265-R267 VanDerWaalsContact C-N 3.3Å; L265-R267 PolarHBondContact O-N 3.39Å; R267-E269 VanDerWaalsContact C-N 3.3Å; R267-E269 HydrophobicContact CB-CG 4.3Å; R267-E269 IonicContact CZ-OE1 2.69Å; R267-E269 IonicContact NE-OE1 3.58Å; R267-E269 PolarHBondContact NE-OE1 2.75Å; R267-E269 IonicContact NH2-OE1 2.82Å; R267-E269 PolarHBondContact NH2-OE1 3.14Å; R267-E269 IonicContact NH2-OE2 2.79Å; R267-E269 PolarHBondContact NH2-OE2 3.18Å
268	G	93.8	Very high	95.6	Very high	64 Å²	64	70.8 Å²	70.8	66%	0.66	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.8	21.6	-176.2	0	0	0	0	0	113.3	A264 L265 K266	A264-G268 PolarHBondContact O-N 3.14Å; L265-G268 PolarHBondContact O-N 3.31Å; L265-G268 VanDerWaalsContact O-N 3.12Å; K266-G268 PolarHBondContact O-N 2.97Å
269	E	94.6	Very high	95.5	Very high	91 Å²	91	70.7 Å²	70.7	43%	0.425	36%	0.362	S	S	.	.			trans	-67.4	136.4	173.1	-68.2	172.8	-158.9	0	0	110.1	A264 R267 V271	A264-E269 HydrophobicContact CB-CB 4.28Å; A264-E269 VanDerWaalsContact CB-OE2 3.24Å; A264-E269 WeakPolarHBondContact CB-OE2 3.39Å; A264-E269 WeakPolarHBondContact O-CB 3.41Å; A264-E269 PolarHBondContact O-N 3.4Å; A264-E269 VanDerWaalsContact O-N 3.09Å; R267-E269 VanDerWaalsContact C-N 3.3Å; R267-E269 HydrophobicContact CB-CG 4.3Å; R267-E269 IonicContact CZ-OE1 2.69Å; R267-E269 IonicContact NE-OE1 3.58Å; R267-E269 PolarHBondContact NE-OE1 2.75Å; R267-E269 IonicContact NH2-OE1 2.82Å; R267-E269 PolarHBondContact NH2-OE1 3.14Å; R267-E269 IonicContact NH2-OE2 2.79Å; R267-E269 PolarHBondContact NH2-OE2 3.18Å; E269-V271 PolarHBondContact O-N 3.29Å
270	E	91.8	Very high	95.4	Very high	196 Å²	196	68.5 Å²	68.5	92%	0.916	35%	0.352	S	S	*	.			trans	-73.4	107.7	171.5	-73.2	-174.9	-179.3	0	0	109.6
271	V	92.4	Very high	95.2	Very high	45 Å²	45	66.7 Å²	66.7	27%	0.273	35%	0.348	S	S	.	.			trans	-108	117.2	176.3	-176.3	0	0	0	0	109.1	A264 L265 E269	A264-V271 HydrophobicContact CB-CG2 4.07Å; L265-V271 HydrophobicContact CD2-CB 4.34Å; L265-V271 HydrophobicContact CD2-CG2 4.27Å; E269-V271 PolarHBondContact O-N 3.29Å
272	P	91.9	Very high	94.9	Very high	106 Å²	106	66.6 Å²	66.6	69%	0.688	35%	0.351	S	S	*	.			trans	-54.9	146.7	175.3	-26.4	35	0	0	0	112.1	D274	P272-D274 PolarHBondContact O-N 3.28Å
273	A	93.8	Very high	94.7	Very high	78 Å²	78	65 Å²	65	65%	0.645	35%	0.346	S	S	*	.			trans	-68.4	123.5	177.1	0	0	0	0	0	110.7	T277	A273-T277 HydrophobicContact CB-CG2 4.48Å
274	D	96.4	Very high	94.2	Very high	21 Å²	21	68 Å²	68	11%	0.112	36%	0.36	C	S	.	.			trans	-133.8	-171	178.8	63.6	10.2	0	0	0	111.3	R261 P272 L276 T277 Q278	R261-D274 IonicContact CZ-OD1 3.43Å; R261-D274 IonicContact CZ-OD2 3.08Å; R261-D274 IonicContact NH1-OD1 3.53Å; R261-D274 PolarHBondContact NH1-OD1 3.41Å; R261-D274 IonicContact NH1-OD2 3.52Å; R261-D274 PolarHBondContact NH1-OD2 2.65Å; R261-D274 IonicContact NH2-OD1 2.73Å; R261-D274 IonicContact NH2-OD2 3.43Å; R261-D274 PolarHBondContact NH2-OD2 2.93Å; P272-D274 PolarHBondContact O-N 3.28Å; D274-L276 VanDerWaalsContact C-N 3.31Å; D274-L276 PolarHBondContact O-N 2.91Å; D274-L276 WeakPolarHBondContact OD1-CB 3.37Å; D274-L276 PolarHBondContact OD1-N 2.89Å; D274-L276 VanDerWaalsContact OD1-N 3.12Å; D274-T277 WeakPolarHBondContact O-CB 3.48Å; D274-T277 PolarHBondContact O-N 2.85Å; D274-T277 PolarHBondContact OD1-N 3.27Å; D274-T277 PolarHBondContact OD1-OG1 2.93Å; D274-Q278 PolarHBondContact O-N 3.17Å
275	I	97.2	Very high	93.6	Very high	8 Å²	8	71.2 Å²	71.2	4%	0.041	40%	0.395	C	S	.	.	H	α-helix	trans	-60.7	-41.3	178.6	-69.9	164.9	0	0	0	110.9	A144 F145 A196 T277 Q278 I279 F299	A144-I275 HydrophobicContact CB-CB 4.39Å; A144-I275 HydrophobicContact CB-CG1 3.78Å; F145-I275 HydrophobicContact CE1-CD1 4.06Å; F145-I275 HydrophobicContact CE2-CD1 4.09Å; F145-I275 HydrophobicContact CE2-CG1 3.94Å; F145-I275 HydrophobicContact CZ-CD1 3.46Å; F145-I275 VanDerWaalsContact CZ-CD1 3.46Å; F145-I275 HydrophobicContact CZ-CG1 3.85Å; A196-I275 HydrophobicContact CB-CB 3.87Å; A196-I275 HydrophobicContact CB-CD1 3.66Å; A196-I275 HydrophobicContact CB-CG1 4.28Å; A196-I275 HydrophobicContact CB-CG2 4.3Å; I275-T277 VanDerWaalsContact C-N 3.32Å; I275-T277 PolarHBondContact O-N 2.95Å; I275-Q278 PolarHBondContact O-N 3.45Å; I275-Q278 VanDerWaalsContact O-N 3.17Å; I275-I279 HydrophobicContact CG2-CD1 3.48Å; I275-I279 VanDerWaalsContact CG2-CD1 3.48Å; I275-I279 HydrophobicContact CG2-CG1 4.17Å; I275-I279 VanDerWaalsContact O-CG1 3.31Å; I275-I279 WeakPolarHBondContact O-CG1 3.38Å; I275-I279 PolarHBondContact O-N 3.32Å; I275-F299 HydrophobicContact CD1-CD1 4.48Å; I275-F299 HydrophobicContact CG2-CB 4.29Å; I275-F299 HydrophobicContact CG2-CD1 3.79Å; I275-F299 HydrophobicContact CG2-CD2 4.25Å; I275-F299 HydrophobicContact CG2-CE1 4.2Å; I275-F299 HydrophobicContact CG2-CG 3.83Å
276	L	97.4	Very high	93.4	Very high	0 Å²	0	69 Å²	69	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-61.6	-39.9	177.9	-176.1	55.2	0	0	0	112	A196 F197 V258 R261 D274 Q278 I279 L280	A196-L276 WeakPolarHBondContact O-CB 3.37Å; A196-L276 PolarHBondContact O-N 3.34Å; F197-L276 HydrophobicContact CB-CD2 4.49Å; F197-L276 HydrophobicContact CD1-CB 3.88Å; F197-L276 HydrophobicContact CD1-CD1 4.13Å; F197-L276 HydrophobicContact CD1-CD2 4.21Å; F197-L276 HydrophobicContact CD1-CG 4.29Å; F197-L276 HydrophobicContact CE1-CD1 4.46Å; V258-L276 HydrophobicContact CG2-CD1 4.15Å; R261-L276 HydrophobicContact CB-CD2 3.8Å; R261-L276 HydrophobicContact CG-CD2 3.99Å; R261-L276 HydrophobicContact CG-CG 4.4Å; D274-L276 VanDerWaalsContact C-N 3.31Å; D274-L276 PolarHBondContact O-N 2.91Å; D274-L276 WeakPolarHBondContact OD1-CB 3.37Å; D274-L276 PolarHBondContact OD1-N 2.89Å; D274-L276 VanDerWaalsContact OD1-N 3.12Å; L276-Q278 VanDerWaalsContact C-N 3.31Å; L276-Q278 PolarHBondContact O-N 2.87Å; L276-I279 PolarHBondContact O-N 2.86Å; L276-L280 HydrophobicContact CD1-CD1 4.4Å; L276-L280 HydrophobicContact CD1-CG 4.32Å; L276-L280 HydrophobicContact CG-CD1 4.11Å; L276-L280 WeakPolarHBondContact O-CB 3.49Å; L276-L280 WeakPolarHBondContact O-CG 3.46Å; L276-L280 PolarHBondContact O-N 2.66Å
277	T	96.1	Very high	93.1	Very high	41 Å²	41	70 Å²	70	25%	0.252	40%	0.398	S	S	.	.	H	α-helix	trans	-57	-45.1	174.3	-63.7	0	0	0	0	111.2	R261 A273 D274 I275 K281	R261-T277 PolarHBondContact NH1-OG1 3.26Å; R261-T277 VanDerWaalsContact NH1-OG1 3.13Å; A273-T277 HydrophobicContact CB-CG2 4.48Å; D274-T277 WeakPolarHBondContact O-CB 3.48Å; D274-T277 PolarHBondContact O-N 2.85Å; D274-T277 PolarHBondContact OD1-N 3.27Å; D274-T277 PolarHBondContact OD1-OG1 2.93Å; I275-T277 VanDerWaalsContact C-N 3.32Å; I275-T277 PolarHBondContact O-N 2.95Å; T277-K281 WeakPolarHBondContact O-CB 3.29Å; T277-K281 PolarHBondContact O-N 3.47Å
278	Q	96.6	Very high	93	Very high	19 Å²	19	67.4 Å²	67.4	9%	0.089	40%	0.395	C	S	.	.	H	α-helix	trans	-74.5	-31.9	180	-60.1	-51.4	118.7	0	0	113.6	V140 L143 A144 D274 I275 L276 K281 A282	V140-Q278 WeakPolarHBondContact CG1-O 3.29Å; V140-Q278 PolarHBondContact O-NE2 3.02Å; L143-Q278 HydrophobicContact CB-CG 4.31Å; A144-Q278 HydrophobicContact CB-CB 4.25Å; A144-Q278 HydrophobicContact CB-CG 3.7Å; D274-Q278 PolarHBondContact O-N 3.17Å; I275-Q278 PolarHBondContact O-N 3.45Å; I275-Q278 VanDerWaalsContact O-N 3.17Å; L276-Q278 VanDerWaalsContact C-N 3.31Å; L276-Q278 PolarHBondContact O-N 2.87Å; Q278-K281 PolarHBondContact O-N 2.8Å; Q278-A282 WeakPolarHBondContact O-CB 3.47Å; Q278-A282 PolarHBondContact O-N 3.12Å
279	I	95.1	Very high	93.1	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-67.7	-41.5	173.9	-69.7	167.5	0	0	0	110.7	I141 I275 L276 A282 E283 L292 N295 F299	I141-I279 HydrophobicContact CD1-CG1 4.35Å; I141-I279 HydrophobicContact CG1-CG1 4.43Å; I275-I279 HydrophobicContact CG2-CD1 3.48Å; I275-I279 VanDerWaalsContact CG2-CD1 3.48Å; I275-I279 HydrophobicContact CG2-CG1 4.17Å; I275-I279 VanDerWaalsContact O-CG1 3.31Å; I275-I279 WeakPolarHBondContact O-CG1 3.38Å; I275-I279 PolarHBondContact O-N 3.32Å; L276-I279 PolarHBondContact O-N 2.86Å; I279-A282 PolarHBondContact O-N 3.32Å; I279-E283 PolarHBondContact O-N 3.22Å; I279-L292 HydrophobicContact CG2-CD1 3.52Å; I279-L292 HydrophobicContact CG2-CG 4.37Å; I279-L292 WeakPolarHBondContact O-CD1 3.43Å; I279-N295 HydrophobicContact CB-CB 4.44Å; I279-N295 HydrophobicContact CD1-CB 4.21Å; I279-N295 HydrophobicContact CG1-CB 4.11Å; I279-N295 HydrophobicContact CG2-CB 3.52Å; I279-F299 HydrophobicContact CD1-CB 4.31Å; I279-F299 HydrophobicContact CD1-CD2 3.36Å; I279-F299 HydrophobicContact CD1-CE2 3.89Å; I279-F299 HydrophobicContact CD1-CG 3.96Å; I279-F299 HydrophobicContact CG1-CD2 4.14Å; I279-F299 HydrophobicContact CG1-CE2 4.18Å
280	L	95.4	Very high	93.3	Very high	31 Å²	31	65.2 Å²	65.2	16%	0.162	37%	0.37	C	S	.	.	H	α-helix	trans	-58.3	-47.9	171.4	-77.3	164.7	0	0	0	111.2	V258 R261 L276 A282 E283 E284 L292	V258-L280 HydrophobicContact CG1-CD2 4.28Å; R261-L280 HydrophobicContact CG-CD1 3.71Å; L276-L280 HydrophobicContact CD1-CD1 4.4Å; L276-L280 HydrophobicContact CD1-CG 4.32Å; L276-L280 HydrophobicContact CG-CD1 4.11Å; L276-L280 WeakPolarHBondContact O-CB 3.49Å; L276-L280 WeakPolarHBondContact O-CG 3.46Å; L276-L280 PolarHBondContact O-N 2.66Å; L280-A282 VanDerWaalsContact C-N 3.32Å; L280-A282 PolarHBondContact O-N 2.69Å; L280-E283 PolarHBondContact O-N 3.3Å; L280-E284 PolarHBondContact O-N 3.34Å; L280-L292 HydrophobicContact CB-CD1 4.43Å; L280-L292 HydrophobicContact CD2-CD1 3.78Å; L280-L292 HydrophobicContact CD2-CD2 3.78Å; L280-L292 HydrophobicContact CD2-CG 4.45Å; L280-L292 HydrophobicContact CG-CD1 4.07Å
281	K	93.8	Very high	93.5	Very high	106 Å²	106	56.6 Å²	56.6	46%	0.461	33%	0.333	S	S	.	.	H	α-helix	trans	-62.9	-36.1	179.1	-170.4	166.5	-171.5	168.3	0	113.2	V140 T277 Q278 E283 E284	V140-K281 HydrophobicContact CG1-CB 3.99Å; V140-K281 HydrophobicContact CG1-CD 4.37Å; V140-K281 HydrophobicContact CG1-CG 4.01Å; T277-K281 WeakPolarHBondContact O-CB 3.29Å; T277-K281 PolarHBondContact O-N 3.47Å; Q278-K281 PolarHBondContact O-N 2.8Å; K281-E283 PolarHBondContact O-N 3.23Å; K281-E284 PolarHBondContact O-N 3.46Å
282	A	90.6	Very high	93.8	Very high	12 Å²	12	54.5 Å²	54.5	10%	0.099	32%	0.32	C	S	.	.	H	α-helix	trans	-65.5	-24.2	179.1	0	0	0	0	0	113	V140 I141 Q278 I279 L280	V140-A282 HydrophobicContact CB-CB 4.17Å; V140-A282 HydrophobicContact CG1-CB 4.08Å; I141-A282 HydrophobicContact CG1-CB 4.44Å; Q278-A282 WeakPolarHBondContact O-CB 3.47Å; Q278-A282 PolarHBondContact O-N 3.12Å; I279-A282 PolarHBondContact O-N 3.32Å; L280-A282 VanDerWaalsContact C-N 3.32Å; L280-A282 PolarHBondContact O-N 2.69Å
283	E	92.3	Very high	94.1	Very high	44 Å²	44	49.5 Å²	49.5	21%	0.206	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	12.3	-178	-61	-67.1	134.2	0	0	112.7	I279 L280 K281 G285 A286 G291 L292	I279-E283 PolarHBondContact O-N 3.22Å; L280-E283 PolarHBondContact O-N 3.3Å; K281-E283 PolarHBondContact O-N 3.23Å; E283-G285 PolarHBondContact O-N 2.98Å; E283-A286 HydrophobicContact CB-CB 4.42Å; E283-A286 WeakPolarHBondContact O-CB 3.36Å; E283-A286 PolarHBondContact O-N 2.79Å; E283-A286 VanDerWaalsContact O-N 3.08Å; E283-G291 WeakPolarHBondContact OE2-CA 3.36Å; E283-L292 HydrophobicContact CB-CB 4.38Å; E283-L292 HydrophobicContact CB-CD1 4.4Å; E283-L292 HydrophobicContact CG-CB 4.14Å; E283-L292 HydrophobicContact CG-CD1 4.36Å
284	E	87.8	Confident	94.3	Very high	140 Å²	140	45.8 Å²	45.8	65%	0.654	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	127.8	170.2	-79.1	174	-169.8	0	0	110.6	L280 K281	L280-E284 PolarHBondContact O-N 3.34Å; K281-E284 PolarHBondContact O-N 3.46Å
285	G	83.1	Confident	94.4	Very high	78 Å²	78	44.8 Å²	44.8	80%	0.804	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.4	6.7	-176.7	0	0	0	0	0	115.2	E283	E283-G285 PolarHBondContact O-N 2.98Å
286	A	91	Very high	94.5	Very high	49 Å²	49	44.4 Å²	44.4	41%	0.405	25%	0.25	S	C	.	.			trans	-67.2	153.1	169.7	0	0	0	0	0	111.9	E283 D288	E283-A286 HydrophobicContact CB-CB 4.42Å; E283-A286 WeakPolarHBondContact O-CB 3.36Å; E283-A286 PolarHBondContact O-N 2.79Å; E283-A286 VanDerWaalsContact O-N 3.08Å; A286-D288 WeakPolarHBondContact CB-O 3.24Å
287	Q	87.6	Confident	94.6	Very high	193 Å²	193	44.4 Å²	44.4	90%	0.902	25%	0.25	S	C	*	.	S	Bend	trans	-77.5	-27.4	178.9	-61.9	-65.5	-51.4	0	0	112.5
288	D	94.4	Very high	94.7	Very high	94 Å²	94	42.5 Å²	42.5	50%	0.503	24%	0.238	S	C	.	.	S	Bend	trans	-145.4	171.7	179.4	64.1	45	0	0	0	110.8	A286 E290	A286-D288 WeakPolarHBondContact CB-O 3.24Å; D288-E290 VanDerWaalsContact C-N 3.31Å; D288-E290 PolarHBondContact O-N 2.9Å; D288-E290 VanDerWaalsContact OD1-CB 3.26Å; D288-E290 WeakPolarHBondContact OD1-CB 3.47Å; D288-E290 PolarHBondContact OD1-N 3.19Å
289	D	96.3	Very high	94.8	Very high	63 Å²	63	42.3 Å²	42.3	34%	0.337	24%	0.237	S	C	.	.	S	Bend	trans	-86.6	7.8	179.2	-75	-24.1	0	0	0	113.2	R262 G291 L292 L293	R262-D289 IonicContact CZ-OD1 2.83Å; R262-D289 IonicContact CZ-OD2 3.59Å; R262-D289 IonicContact NH1-OD1 3.4Å; R262-D289 IonicContact NH1-OD2 3.59Å; R262-D289 PolarHBondContact NH1-OD2 2.92Å; R262-D289 IonicContact NH2-OD1 3.49Å; R262-D289 PolarHBondContact NH2-OD1 3.37Å; R262-D289 IonicContact NH2-OD2 2.7Å; R262-D289 PolarHBondContact NH2-OD2 3.35Å; D289-G291 PolarHBondContact O-N 2.96Å; D289-L292 HydrophobicContact CB-CB 4.45Å; D289-L292 HydrophobicContact CB-CD2 4.4Å; D289-L292 VanDerWaalsContact O-CB 3.3Å; D289-L292 WeakPolarHBondContact O-CB 3.42Å; D289-L292 PolarHBondContact O-N 3.09Å; D289-L293 VanDerWaalsContact O-CG 3.3Å; D289-L293 WeakPolarHBondContact O-CG 3.2Å; D289-L293 PolarHBondContact O-N 3.37Å
290	E	97.7	Very high	95	Very high	46 Å²	46	42.3 Å²	42.3	22%	0.215	24%	0.237	C	C	.	.	H	α-helix	trans	-72.9	-31	-171.4	-67.2	-70.9	129.7	0	0	112.5	R119 R251 R255 D288 D294	R119-E290 VanDerWaalsContact NH1-CB 3.29Å; R119-E290 IonicContact NH1-OE2 2.71Å; R251-E290 IonicContact CZ-OE2 3.18Å; R251-E290 IonicContact NE-OE2 3.8Å; R251-E290 PolarHBondContact NH2-O 2.88Å; R251-E290 IonicContact NH2-OE2 3.65Å; R251-E290 PolarHBondContact NH2-OE2 3.25Å; R255-E290 IonicContact NH2-OE1 3.69Å; R255-E290 PolarHBondContact NH2-OE1 3.27Å; R255-E290 VanDerWaalsContact NH2-OE1 3.08Å; D288-E290 VanDerWaalsContact C-N 3.31Å; D288-E290 PolarHBondContact O-N 2.9Å; D288-E290 VanDerWaalsContact OD1-CB 3.26Å; D288-E290 WeakPolarHBondContact OD1-CB 3.47Å; D288-E290 PolarHBondContact OD1-N 3.19Å; E290-D294 WeakPolarHBondContact O-CB 3.49Å; E290-D294 PolarHBondContact O-N 2.84Å
291	G	97.3	Very high	95.1	Very high	14 Å²	14	41.2 Å²	41.2	14%	0.144	23%	0.231	C	C	.	.	H	α-helix	trans	-67.3	-36.1	169.7	0	0	0	0	0	112.7	E283 D289 D294 N295	E283-G291 WeakPolarHBondContact OE2-CA 3.36Å; D289-G291 PolarHBondContact O-N 2.96Å; G291-D294 WeakPolarHBondContact O-CB 3.09Å; G291-D294 PolarHBondContact O-N 3.02Å; G291-N295 PolarHBondContact O-N 3.47Å
292	L	97.6	Very high	95.3	Very high	1 Å²	1	38 Å²	38	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-63.4	-48.5	173	-176.6	77.9	0	0	0	111.3	V258 I279 L280 E283 D289 D294 N295 F296	V258-L292 HydrophobicContact CB-CD2 4.21Å; V258-L292 HydrophobicContact CG1-CD2 3.52Å; V258-L292 HydrophobicContact CG2-CD2 3.61Å; V258-L292 HydrophobicContact CG2-CG 4.2Å; I279-L292 HydrophobicContact CG2-CD1 3.52Å; I279-L292 HydrophobicContact CG2-CG 4.37Å; I279-L292 WeakPolarHBondContact O-CD1 3.43Å; L280-L292 HydrophobicContact CB-CD1 4.43Å; L280-L292 HydrophobicContact CD2-CD1 3.78Å; L280-L292 HydrophobicContact CD2-CD2 3.78Å; L280-L292 HydrophobicContact CD2-CG 4.45Å; L280-L292 HydrophobicContact CG-CD1 4.07Å; E283-L292 HydrophobicContact CB-CB 4.38Å; E283-L292 HydrophobicContact CB-CD1 4.4Å; E283-L292 HydrophobicContact CG-CB 4.14Å; E283-L292 HydrophobicContact CG-CD1 4.36Å; D289-L292 HydrophobicContact CB-CB 4.45Å; D289-L292 HydrophobicContact CB-CD2 4.4Å; D289-L292 VanDerWaalsContact O-CB 3.3Å; D289-L292 WeakPolarHBondContact O-CB 3.42Å; D289-L292 PolarHBondContact O-N 3.09Å; L292-D294 VanDerWaalsContact C-N 3.3Å; L292-D294 PolarHBondContact O-N 3.27Å; L292-N295 PolarHBondContact O-N 3.42Å; L292-F296 PolarHBondContact O-N 3.47Å
293	L	98.6	Very high	95.6	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-66.9	-31.2	179.3	-67.3	175.2	0	0	0	112.5	R255 D289 N295 F296 V297	R255-L293 HydrophobicContact CG-CD1 3.61Å; R255-L293 HydrophobicContact CG-CD2 3.76Å; R255-L293 HydrophobicContact CG-CG 4.3Å; D289-L293 VanDerWaalsContact O-CG 3.3Å; D289-L293 WeakPolarHBondContact O-CG 3.2Å; D289-L293 PolarHBondContact O-N 3.37Å; L293-N295 VanDerWaalsContact C-N 3.35Å; L293-F296 PolarHBondContact O-N 3.03Å; L293-V297 WeakPolarHBondContact O-CG2 3.43Å; L293-V297 PolarHBondContact O-N 3.34Å
294	D	98.7	Very high	95.9	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-61.6	-44.1	171.3	-74.4	-6.7	0	0	0	111.8	R119 F121 G122 Q123 R251 E290 G291 L292 T298	R119-D294 IonicContact CZ-OD1 3.45Å; R119-D294 IonicContact CZ-OD2 3.65Å; R119-D294 VanDerWaalsContact CZ-OD2 3.22Å; R119-D294 VanDerWaalsContact NE-CG 3.31Å; R119-D294 IonicContact NE-OD1 3.95Å; R119-D294 PolarHBondContact NE-OD1 3.28Å; R119-D294 IonicContact NE-OD2 2.84Å; R119-D294 PolarHBondContact NE-OD2 3.43Å; R119-D294 IonicContact NH2-OD1 3.13Å; R119-D294 IonicContact NH2-OD2 3.75Å; R119-D294 PolarHBondContact NH2-OD2 2.96Å; F121-D294 VanDerWaalsContact O-CB 3.31Å; F121-D294 WeakPolarHBondContact O-CB 3.25Å; G122-D294 VanDerWaalsContact CA-OD2 3.23Å; G122-D294 WeakPolarHBondContact CA-OD2 3.45Å; Q123-D294 PolarHBondContact N-OD2 3.48Å; R251-D294 IonicContact CZ-OD1 3.47Å; R251-D294 IonicContact NH1-OD1 2.76Å; R251-D294 PolarHBondContact NH1-OD1 3.21Å; R251-D294 IonicContact NH2-OD1 3.36Å; R251-D294 PolarHBondContact NH2-OD1 3.31Å; R251-D294 VanDerWaalsContact NH2-OD1 3.13Å; E290-D294 WeakPolarHBondContact O-CB 3.49Å; E290-D294 PolarHBondContact O-N 2.84Å; G291-D294 WeakPolarHBondContact O-CB 3.09Å; G291-D294 PolarHBondContact O-N 3.02Å; L292-D294 VanDerWaalsContact C-N 3.3Å; L292-D294 PolarHBondContact O-N 3.27Å; D294-T298 VanDerWaalsContact O-CB 3.27Å; D294-T298 WeakPolarHBondContact O-CB 3.37Å; D294-T298 PolarHBondContact O-N 2.99Å; D294-T298 PolarHBondContact O-OG1 3.37Å
295	N	98.6	Very high	96.3	Very high	0 Å²	0	30 Å²	30	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-71.3	-38.2	175	-82.3	-48.1	0	0	0	112	G124 L125 I279 G291 L292 L293 V297 T298 F299	G124-N295 WeakPolarHBondContact CA-OD1 3.35Å; L125-N295 PolarHBondContact N-OD1 3Å; I279-N295 HydrophobicContact CB-CB 4.44Å; I279-N295 HydrophobicContact CD1-CB 4.21Å; I279-N295 HydrophobicContact CG1-CB 4.11Å; I279-N295 HydrophobicContact CG2-CB 3.52Å; G291-N295 PolarHBondContact O-N 3.47Å; L292-N295 PolarHBondContact O-N 3.42Å; L293-N295 VanDerWaalsContact C-N 3.35Å; N295-V297 PolarHBondContact O-N 3.4Å; N295-T298 WeakPolarHBondContact O-CB 3.42Å; N295-T298 PolarHBondContact O-N 3.37Å; N295-F299 WeakPolarHBondContact O-CD2 3.14Å; N295-F299 PolarHBondContact O-N 3.47Å
296	F	98.8	Very high	97.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-52.9	-56.1	171.3	174.8	-89.5	0	0	0	110.8	F197 L250 V253 G254 W257 L292 L293 T298 F299 F300	F197-F296 AromaticContact CD1-CD2 3.94Å; F197-F296 HydrophobicContact CD1-CD2 3.94Å; F197-F296 AromaticContact CD1-CE2 3.94Å; F197-F296 HydrophobicContact CD1-CE2 3.94Å; F197-F296 HydrophobicContact CD2-CE2 4.48Å; F197-F296 AromaticContact CE1-CD2 3.49Å; F197-F296 HydrophobicContact CE1-CD2 3.49Å; F197-F296 VanDerWaalsContact CE1-CD2 3.49Å; F197-F296 AromaticContact CE1-CE2 3.8Å; F197-F296 HydrophobicContact CE1-CE2 3.8Å; F197-F296 HydrophobicContact CE1-CG 4.42Å; F197-F296 HydrophobicContact CE2-CE2 4.29Å; F197-F296 HydrophobicContact CG-CE2 4.3Å; F197-F296 AromaticContact CZ-CD2 3.86Å; F197-F296 HydrophobicContact CZ-CD2 3.86Å; F197-F296 AromaticContact CZ-CE2 3.97Å; F197-F296 HydrophobicContact CZ-CE2 3.97Å; L250-F296 HydrophobicContact CD1-CE1 4.18Å; V253-F296 HydrophobicContact CG1-CZ 4.27Å; G254-F296 VanDerWaalsContact CA-CZ 3.43Å; W257-F296 HydrophobicContact CB-CE2 4.17Å; W257-F296 HydrophobicContact CD2-CE2 4.16Å; W257-F296 HydrophobicContact CD2-CZ 4.24Å; W257-F296 AromaticContact CE3-CE2 3.66Å; W257-F296 HydrophobicContact CE3-CE2 3.66Å; W257-F296 AromaticContact CE3-CZ 3.94Å; W257-F296 HydrophobicContact CE3-CZ 3.94Å; W257-F296 HydrophobicContact CG-CE2 4.42Å; W257-F296 HydrophobicContact CZ3-CE2 4.4Å; W257-F296 HydrophobicContact CZ3-CZ 4.46Å; L292-F296 PolarHBondContact O-N 3.47Å; L293-F296 PolarHBondContact O-N 3.03Å; F296-T298 VanDerWaalsContact C-N 3.28Å; F296-T298 PolarHBondContact O-N 3.3Å; F296-F299 PolarHBondContact O-N 3.09Å; F296-F300 HydrophobicContact CE1-CB 4.22Å; F296-F300 HydrophobicContact CE1-CD2 4.24Å; F296-F300 HydrophobicContact CE1-CG 4.31Å; F296-F300 HydrophobicContact CZ-CB 4.49Å; F296-F300 AromaticContact CZ-CD2 3.88Å; F296-F300 HydrophobicContact CZ-CD2 3.88Å; F296-F300 HydrophobicContact CZ-CG 4.39Å; F296-F300 WeakPolarHBondContact O-CB 3.49Å; F296-F300 PolarHBondContact O-N 3.4Å
297	V	98.8	Very high	97.4	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-60.8	-39.9	179.1	171.7	0	0	0	0	111.2	L120 L250 R251 L293 N295 F300 I301	L120-V297 HydrophobicContact CD1-CG1 3.58Å; L120-V297 HydrophobicContact CG-CG1 4.09Å; L120-V297 WeakPolarHBondContact O-CG1 3.42Å; L250-V297 HydrophobicContact CD2-CG1 4.03Å; L250-V297 HydrophobicContact CD2-CG2 4.23Å; L250-V297 HydrophobicContact CG-CG2 4.24Å; R251-V297 HydrophobicContact CG-CG2 3.88Å; L293-V297 WeakPolarHBondContact O-CG2 3.43Å; L293-V297 PolarHBondContact O-N 3.34Å; N295-V297 PolarHBondContact O-N 3.4Å; V297-F300 PolarHBondContact O-N 3.46Å; V297-I301 HydrophobicContact CG1-CD1 3.76Å; V297-I301 HydrophobicContact CG1-CG1 4.43Å; V297-I301 PolarHBondContact O-N 3.13Å
298	T	98.7	Very high	98	Very high	2 Å²	2	17.2 Å²	17.2	1%	0.012	10%	0.104	C	C	.	.	H	α-helix	trans	-58.3	-53.3	179	-65.3	0	0	0	0	111.5	F121 V126 D294 N295 F296 A302	F121-T298 HydrophobicContact CD1-CG2 4.28Å; V126-T298 HydrophobicContact CB-CG2 3.92Å; V126-T298 HydrophobicContact CG2-CG2 3.52Å; D294-T298 VanDerWaalsContact O-CB 3.27Å; D294-T298 WeakPolarHBondContact O-CB 3.37Å; D294-T298 PolarHBondContact O-N 2.99Å; D294-T298 PolarHBondContact O-OG1 3.37Å; N295-T298 WeakPolarHBondContact O-CB 3.42Å; N295-T298 PolarHBondContact O-N 3.37Å; F296-T298 VanDerWaalsContact C-N 3.28Å; F296-T298 PolarHBondContact O-N 3.3Å; T298-A302 WeakPolarHBondContact O-CB 3.24Å; T298-A302 PolarHBondContact O-N 2.99Å
299	F	98.6	Very high	98.2	Very high	15 Å²	15	12.7 Å²	12.7	7%	0.066	8%	0.08	C	C	.	.	H	α-helix	trans	-72.7	-36.4	179.7	-79.2	-83.8	0	0	0	112.1	L125 I141 F145 F197 I275 I279 N295 F296 I301 G303 I438	L125-F299 HydrophobicContact CB-CE2 4.45Å; L125-F299 HydrophobicContact CD2-CE2 4.22Å; L125-F299 HydrophobicContact CD2-CZ 3.74Å; I141-F299 HydrophobicContact CD1-CE2 4.17Å; I141-F299 HydrophobicContact CG2-CE1 4.3Å; I141-F299 HydrophobicContact CG2-CE2 4.05Å; I141-F299 HydrophobicContact CG2-CZ 3.52Å; F145-F299 AromaticContact CE2-CE1 3.76Å; F145-F299 HydrophobicContact CE2-CE1 3.76Å; F145-F299 HydrophobicContact CE2-CZ 4.34Å; F145-F299 HydrophobicContact CZ-CD1 4.26Å; F145-F299 AromaticContact CZ-CE1 3.65Å; F145-F299 HydrophobicContact CZ-CE1 3.65Å; F197-F299 HydrophobicContact CZ-CB 4.09Å; I275-F299 HydrophobicContact CD1-CD1 4.48Å; I275-F299 HydrophobicContact CG2-CB 4.29Å; I275-F299 HydrophobicContact CG2-CD1 3.79Å; I275-F299 HydrophobicContact CG2-CD2 4.25Å; I275-F299 HydrophobicContact CG2-CE1 4.2Å; I275-F299 HydrophobicContact CG2-CG 3.83Å; I279-F299 HydrophobicContact CD1-CB 4.31Å; I279-F299 HydrophobicContact CD1-CD2 3.36Å; I279-F299 HydrophobicContact CD1-CE2 3.89Å; I279-F299 HydrophobicContact CD1-CG 3.96Å; I279-F299 HydrophobicContact CG1-CD2 4.14Å; I279-F299 HydrophobicContact CG1-CE2 4.18Å; N295-F299 WeakPolarHBondContact O-CD2 3.14Å; N295-F299 PolarHBondContact O-N 3.47Å; F296-F299 PolarHBondContact O-N 3.09Å; F299-I301 PolarHBondContact O-N 3.32Å; F299-G303 WeakPolarHBondContact O-CA 3.44Å; F299-G303 PolarHBondContact O-N 3.13Å; F299-I438 HydrophobicContact CE1-CG2 4.11Å; F299-I438 HydrophobicContact CZ-CG2 4.33Å
300	F	98.7	Very high	98.3	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-56.2	-52.1	176.3	-169	-88.7	0	0	0	110.5	M189 L192 F197 L211 V215 L250 W257 F296 V297 H304	M189-F300 HydrophobicContact CE-CE1 3.78Å; M189-F300 HydrophobicContact CE-CZ 3.82Å; M189-F300 HydrophobicContact CG-CZ 4.38Å; M189-F300 HydrophobicContact SD-CE1 4.31Å; M189-F300 HydrophobicContact SD-CZ 3.74Å; L192-F300 HydrophobicContact CD1-CD2 4.43Å; F197-F300 HydrophobicContact CE2-CB 4.32Å; F197-F300 HydrophobicContact CE2-CD2 4.04Å; F197-F300 HydrophobicContact CZ-CB 4.4Å; L211-F300 HydrophobicContact CD1-CE1 4.16Å; L211-F300 HydrophobicContact CD1-CZ 3.99Å; L211-F300 HydrophobicContact CD2-CE2 4.45Å; L211-F300 HydrophobicContact CD2-CZ 3.79Å; L211-F300 HydrophobicContact CG-CZ 4.05Å; V215-F300 HydrophobicContact CG2-CE1 3.87Å; L250-F300 HydrophobicContact CD1-CD1 3.51Å; L250-F300 HydrophobicContact CD1-CE1 3.62Å; L250-F300 HydrophobicContact CD1-CG 4.02Å; L250-F300 HydrophobicContact CD1-CZ 4.23Å; L250-F300 HydrophobicContact CD2-CD1 4.18Å; L250-F300 HydrophobicContact CG-CD1 4.47Å; W257-F300 AromaticContact CH2-CE2 3.94Å; W257-F300 HydrophobicContact CH2-CE2 3.94Å; W257-F300 HydrophobicContact CZ3-CD2 4.36Å; W257-F300 HydrophobicContact CZ3-CE2 4.13Å; F296-F300 HydrophobicContact CE1-CB 4.22Å; F296-F300 HydrophobicContact CE1-CD2 4.24Å; F296-F300 HydrophobicContact CE1-CG 4.31Å; F296-F300 HydrophobicContact CZ-CB 4.49Å; F296-F300 AromaticContact CZ-CD2 3.88Å; F296-F300 HydrophobicContact CZ-CD2 3.88Å; F296-F300 HydrophobicContact CZ-CG 4.39Å; F296-F300 WeakPolarHBondContact O-CB 3.49Å; F296-F300 PolarHBondContact O-N 3.4Å; V297-F300 PolarHBondContact O-N 3.46Å; F300-H304 PolarHBondContact O-CE1 3.36Å; F300-H304 VanDerWaalsContact O-CE1 3.31Å; F300-H304 PolarHBondContact O-ND1 3.13Å
301	I	97.9	Very high	98.4	Very high	7 Å²	7	8.1 Å²	8.1	4%	0.036	6%	0.057	C	C	.	.	H	α-helix	trans	-77.3	-51.9	-178.7	-60.4	171.8	0	0	0	111.6	L120 F121 M218 L219 L250 V297 F299 G303 H304 E305	L120-I301 HydrophobicContact CD1-CD1 4.12Å; F121-I301 HydrophobicContact CE1-CB 4.42Å; F121-I301 HydrophobicContact CE2-CD1 3.93Å; F121-I301 HydrophobicContact CZ-CB 3.96Å; F121-I301 HydrophobicContact CZ-CD1 3.77Å; F121-I301 HydrophobicContact CZ-CG1 4.46Å; F121-I301 HydrophobicContact CZ-CG2 3.99Å; M218-I301 HydrophobicContact SD-CD1 3.56Å; M218-I301 VanDerWaalsContact SD-CD1 3.56Å; M218-I301 HydrophobicContact SD-CG1 4.35Å; L219-I301 HydrophobicContact CD2-CG2 4.04Å; L250-I301 HydrophobicContact CD2-CD1 3.96Å; L250-I301 HydrophobicContact CD2-CG1 4.05Å; V297-I301 HydrophobicContact CG1-CD1 3.76Å; V297-I301 HydrophobicContact CG1-CG1 4.43Å; V297-I301 PolarHBondContact O-N 3.13Å; F299-I301 PolarHBondContact O-N 3.32Å; I301-G303 PolarHBondContact O-N 3.48Å; I301-H304 PolarHBondContact O-N 3.36Å; I301-E305 HydrophobicContact CG2-CB 4.37Å; I301-E305 WeakPolarHBondContact O-CB 3.3Å; I301-E305 PolarHBondContact O-N 2.99Å; I301-E305 VanDerWaalsContact O-N 3.14Å
302	A	97.4	Very high	98.4	Very high	39 Å²	39	7.5 Å²	7.5	32%	0.322	5%	0.05	S	C	.	.	H	α-helix	trans	-65.2	-30.6	-172.8	0	0	0	0	0	112.7	T298 T306	T298-A302 WeakPolarHBondContact O-CB 3.24Å; T298-A302 PolarHBondContact O-N 2.99Å; A302-T306 PolarHBondContact O-OG1 3.05Å
303	G	97.3	Very high	98.5	Very high	17 Å²	17	7.4 Å²	7.4	18%	0.175	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-8.7	-176.5	0	0	0	0	0	115.8	F299 I301	F299-G303 WeakPolarHBondContact O-CA 3.44Å; F299-G303 PolarHBondContact O-N 3.13Å; I301-G303 PolarHBondContact O-N 3.48Å
304	H	98.3	Very high	98.5	Very high	1 Å²	1	7.4 Å²	7.4	1%	0.005	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.7	-46.2	175.3	79.5	-78.2	0	0	0	113.7	A188 M189 L192 F300 I301 T306 S307 A308	A188-H304 HydrophobicContact CB-CB 3.91Å; A188-H304 WeakPolarHBondContact O-CB 3.47Å; M189-H304 VanDerWaalsContact CE-CE1 3.5Å; M189-H304 WeakPolarHBondContact CE-CE1 3.38Å; M189-H304 WeakPolarHBondContact CE-NE2 3.42Å; L192-H304 HydrophobicContact CB-CB 4.07Å; L192-H304 HydrophobicContact CG-CB 4.4Å; F300-H304 PolarHBondContact O-CE1 3.36Å; F300-H304 VanDerWaalsContact O-CE1 3.31Å; F300-H304 PolarHBondContact O-ND1 3.13Å; I301-H304 PolarHBondContact O-N 3.36Å; H304-T306 VanDerWaalsContact C-N 3.32Å; H304-T306 PolarHBondContact O-N 3.1Å; H304-S307 PolarHBondContact O-N 3.47Å; H304-A308 WeakPolarHBondContact O-CB 3.5Å; H304-A308 PolarHBondContact O-N 3.07Å
305	E	97.8	Very high	98.5	Very high	11 Å²	11	7.7 Å²	7.7	5%	0.051	5%	0.052	C	C	.	.	H	α-helix	trans	-60.2	-42.4	-170.5	174.3	65	-160.8	0	0	111.6	L219 I301 N309	L219-E305 HydrophobicContact CD1-CG 3.7Å; L219-E305 WeakPolarHBondContact CD1-OE2 3.34Å; L219-E305 HydrophobicContact CD2-CG 4.44Å; I301-E305 HydrophobicContact CG2-CB 4.37Å; I301-E305 WeakPolarHBondContact O-CB 3.3Å; I301-E305 PolarHBondContact O-N 2.99Å; I301-E305 VanDerWaalsContact O-N 3.14Å; E305-N309 WeakPolarHBondContact O-CB 3.21Å; E305-N309 VanDerWaalsContact O-CG 3.22Å; E305-N309 PolarHBondContact O-N 3.47Å; E305-N309 PolarHBondContact O-ND2 2.94Å; E305-N309 PolarHBondContact OE1-ND2 3.02Å
306	T	98.4	Very high	98.5	Very high	44 Å²	44	7.8 Å²	7.8	27%	0.27	5%	0.052	S	C	.	.	H	α-helix	trans	-69.5	-39.5	-178	58.5	0	0	0	0	112.6	A302 H304 H310 P366 T475	A302-T306 PolarHBondContact O-OG1 3.05Å; H304-T306 VanDerWaalsContact C-N 3.32Å; H304-T306 PolarHBondContact O-N 3.1Å; T306-H310 PolarHBondContact O-N 3.46Å; T306-P366 WeakPolarHBondContact O-CG 3.24Å; T306-T475 HydrophobicContact CG2-CG2 3.86Å
307	S	98.8	Very high	98.6	Very high	6 Å²	6	7.9 Å²	7.9	4%	0.042	5%	0.052	C	C	.	.	H	α-helix	trans	-70.1	-40.6	176.6	-60.8	0	0	0	0	112.2	H304 N309 H310 L311 E446	H304-S307 PolarHBondContact O-N 3.47Å; S307-N309 VanDerWaalsContact C-N 3.33Å; S307-N309 PolarHBondContact O-N 2.92Å; S307-H310 PolarHBondContact O-N 2.95Å; S307-L311 WeakPolarHBondContact O-CB 3.34Å; S307-L311 WeakPolarHBondContact O-CG 3.49Å; S307-L311 PolarHBondContact O-N 2.87Å; S307-E446 WeakPolarHBondContact CB-OE1 3.44Å; S307-E446 PolarHBondContact OG-OE1 3.38Å
308	A	98.9	Very high	98.6	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-57.7	-46.4	173.5	0	0	0	0	0	111.5	A188 H304 H310 L311 A312	A188-A308 HydrophobicContact CB-CB 4.01Å; H304-A308 WeakPolarHBondContact O-CB 3.5Å; H304-A308 PolarHBondContact O-N 3.07Å; A308-H310 PolarHBondContact O-N 3.26Å; A308-L311 PolarHBondContact O-N 3.49Å; A308-A312 WeakPolarHBondContact O-CB 3.24Å; A308-A312 PolarHBondContact O-N 2.97Å
309	N	98.9	Very high	98.6	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-65.3	-39.3	177.5	-69.6	-26.8	0	0	0	112.1	E305 S307 A312 F313 P366 T475 K477	E305-N309 WeakPolarHBondContact O-CB 3.21Å; E305-N309 VanDerWaalsContact O-CG 3.22Å; E305-N309 PolarHBondContact O-N 3.47Å; E305-N309 PolarHBondContact O-ND2 2.94Å; E305-N309 PolarHBondContact OE1-ND2 3.02Å; S307-N309 VanDerWaalsContact C-N 3.33Å; S307-N309 PolarHBondContact O-N 2.92Å; N309-A312 PolarHBondContact O-N 2.9Å; N309-F313 WeakPolarHBondContact O-CB 3.45Å; N309-F313 WeakPolarHBondContact O-CD2 3.24Å; N309-F313 WeakPolarHBondContact O-CG 3.27Å; N309-F313 PolarHBondContact O-N 3.4Å; N309-P366 HydrophobicContact CB-CB 4.01Å; N309-P366 HydrophobicContact CB-CG 3.95Å; N309-T475 PolarHBondContact ND2-OG1 3.01Å; N309-K477 HydrophobicContact CB-CB 4.08Å; N309-K477 WeakPolarHBondContact OD1-CB 3.36Å
310	H	98.9	Very high	98.5	Very high	11 Å²	11	14.8 Å²	14.8	5%	0.051	8%	0.084	C	C	.	.	H	α-helix	trans	-63.5	-44.5	174.7	176.2	27.6	0	0	0	112.3	T306 S307 A308 T314 L357 L361 P366	T306-H310 PolarHBondContact O-N 3.46Å; S307-H310 PolarHBondContact O-N 2.95Å; A308-H310 PolarHBondContact O-N 3.26Å; H310-T314 PolarHBondContact CE1-OG1 3.35Å; H310-T314 PolarHBondContact ND1-OG1 3.14Å; H310-T314 WeakPolarHBondContact O-CB 3.25Å; H310-T314 PolarHBondContact O-N 2.69Å; H310-T314 PolarHBondContact O-OG1 2.59Å; H310-L357 PolarHBondContact CE1-O 2.72Å; H310-L357 VanDerWaalsContact CE1-O 3.29Å; H310-L361 HydrophobicContact CB-CD2 4.29Å; H310-P366 HydrophobicContact CB-CG 4.13Å
311	L	98.9	Very high	98.5	Very high	2 Å²	2	16.7 Å²	16.7	1%	0.01	9%	0.093	C	C	.	.	H	α-helix	trans	-60.3	-47.6	174.4	-75.1	165	0	0	0	110.8	L184 S307 A308 F313 T314 V315 V447 V450 M451	L184-L311 HydrophobicContact CB-CB 4.22Å; L184-L311 HydrophobicContact CD1-CB 3.88Å; L184-L311 HydrophobicContact CD2-CB 4.06Å; L184-L311 HydrophobicContact CD2-CD1 4.24Å; L184-L311 HydrophobicContact CG-CB 4.26Å; S307-L311 WeakPolarHBondContact O-CB 3.34Å; S307-L311 WeakPolarHBondContact O-CG 3.49Å; S307-L311 PolarHBondContact O-N 2.87Å; A308-L311 PolarHBondContact O-N 3.49Å; L311-F313 PolarHBondContact O-N 3.01Å; L311-T314 WeakPolarHBondContact O-CB 3.49Å; L311-T314 PolarHBondContact O-N 2.87Å; L311-T314 VanDerWaalsContact O-N 3.1Å; L311-V315 PolarHBondContact O-N 2.84Å; L311-V447 HydrophobicContact CD1-CG1 4.18Å; L311-V447 HydrophobicContact CD2-CB 3.84Å; L311-V447 HydrophobicContact CD2-CG1 4.09Å; L311-V447 HydrophobicContact CG-CB 4.18Å; L311-V447 HydrophobicContact CG-CG1 3.85Å; L311-V450 HydrophobicContact CD1-CB 4.41Å; L311-V450 HydrophobicContact CD1-CG1 4.12Å; L311-V450 HydrophobicContact CD2-CB 4.13Å; L311-V450 HydrophobicContact CD2-CG1 3.91Å; L311-M451 HydrophobicContact CD2-CG 3.6Å; L311-M451 HydrophobicContact CD2-SD 3.7Å
312	A	98.9	Very high	98.6	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-61.8	-43.9	-178.9	0	0	0	0	0	112.1	Q181 L184 A308 N309 T314 V315 M316 P478	Q181-A312 HydrophobicContact CB-CB 4.36Å; Q181-A312 HydrophobicContact CG-CB 4.44Å; L184-A312 HydrophobicContact CD1-CB 4.2Å; A308-A312 WeakPolarHBondContact O-CB 3.24Å; A308-A312 PolarHBondContact O-N 2.97Å; N309-A312 PolarHBondContact O-N 2.9Å; A312-T314 VanDerWaalsContact C-N 3.31Å; A312-T314 PolarHBondContact O-N 2.81Å; A312-V315 PolarHBondContact O-N 3.3Å; A312-M316 VanDerWaalsContact O-CB 3.23Å; A312-M316 WeakPolarHBondContact O-CB 3.48Å; A312-M316 PolarHBondContact O-N 3.07Å; A312-P478 HydrophobicContact CB-CG 3.93Å
313	F	98.9	Very high	98.6	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-61.4	-39.5	173	-79.3	-54.8	0	0	0	112.8	N309 L311 M316 E317 Y364 L470 L476 K477 P478	N309-F313 WeakPolarHBondContact O-CB 3.45Å; N309-F313 WeakPolarHBondContact O-CD2 3.24Å; N309-F313 WeakPolarHBondContact O-CG 3.27Å; N309-F313 PolarHBondContact O-N 3.4Å; L311-F313 PolarHBondContact O-N 3.01Å; F313-M316 HydrophobicContact CD1-CE 3.81Å; F313-M316 HydrophobicContact CE1-CE 4.34Å; F313-M316 PolarHBondContact O-N 3.4Å; F313-E317 WeakPolarHBondContact O-CB 3.41Å; F313-E317 PolarHBondContact O-N 2.88Å; F313-Y364 HydrophobicContact CB-CD2 4.24Å; F313-Y364 HydrophobicContact CB-CG 4.09Å; F313-Y364 AromaticContact CD1-CD1 3.81Å; F313-Y364 HydrophobicContact CD1-CD1 3.81Å; F313-Y364 AromaticContact CD1-CG 3.8Å; F313-Y364 HydrophobicContact CD1-CG 3.8Å; F313-Y364 HydrophobicContact CD2-CG 4.46Å; F313-Y364 AromaticContact CE1-CD1 3.91Å; F313-Y364 HydrophobicContact CE1-CD1 3.91Å; F313-Y364 HydrophobicContact CE1-CG 4.27Å; F313-Y364 VanDerWaalsContact CG-CB 3.44Å; F313-Y364 HydrophobicContact CG-CD1 4.37Å; F313-Y364 AromaticContact CG-CG 3.91Å; F313-Y364 HydrophobicContact CG-CG 3.91Å; F313-L470 HydrophobicContact CE1-CD2 4.36Å; F313-L470 HydrophobicContact CE1-CG 3.9Å; F313-L470 HydrophobicContact CZ-CD2 4.05Å; F313-L470 HydrophobicContact CZ-CG 3.96Å; F313-L476 HydrophobicContact CE2-CB 4.29Å; F313-L476 WeakPolarHBondContact CE2-O 3.49Å; F313-L476 HydrophobicContact CZ-CB 4.31Å; F313-K477 VanDerWaalsContact CE1-C 3.5Å; F313-K477 VanDerWaalsContact CE2-CA 3.46Å; F313-K477 WeakPolarHBondContact CZ-O 3.32Å; F313-P478 HydrophobicContact CD1-CG 3.63Å; F313-P478 HydrophobicContact CE1-CB 4.38Å; F313-P478 HydrophobicContact CE1-CG 3.79Å; F313-P478 VanDerWaalsContact CE1-N 3.32Å; F313-P478 HydrophobicContact CG-CG 4.13Å; F313-P478 HydrophobicContact CZ-CG 4.46Å
314	T	98.9	Very high	98.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-66.5	-47.4	179.9	-55.2	0	0	0	0	110.8	H310 L311 A312 M316 E317 L318 V356 L357 S360 M451	H310-T314 PolarHBondContact CE1-OG1 3.35Å; H310-T314 PolarHBondContact ND1-OG1 3.14Å; H310-T314 WeakPolarHBondContact O-CB 3.25Å; H310-T314 PolarHBondContact O-N 2.69Å; H310-T314 PolarHBondContact O-OG1 2.59Å; L311-T314 WeakPolarHBondContact O-CB 3.49Å; L311-T314 PolarHBondContact O-N 2.87Å; L311-T314 VanDerWaalsContact O-N 3.1Å; A312-T314 VanDerWaalsContact C-N 3.31Å; A312-T314 PolarHBondContact O-N 2.81Å; T314-M316 VanDerWaalsContact C-N 3.35Å; T314-M316 PolarHBondContact O-N 2.87Å; T314-E317 PolarHBondContact O-N 2.93Å; T314-L318 HydrophobicContact CG2-CD1 3.89Å; T314-L318 HydrophobicContact CG2-CG 4.32Å; T314-L318 VanDerWaalsContact O-CB 3.3Å; T314-L318 WeakPolarHBondContact O-CB 3.25Å; T314-L318 WeakPolarHBondContact O-CG 3.41Å; T314-L318 PolarHBondContact O-N 3.25Å; T314-V356 HydrophobicContact CG2-CG1 4.34Å; T314-L357 HydrophobicContact CG2-CD2 4.09Å; T314-S360 WeakPolarHBondContact OG1-CB 3.3Å; T314-S360 PolarHBondContact OG1-OG 3.34Å; T314-M451 HydrophobicContact CG2-CE 3.78Å; T314-M451 HydrophobicContact CG2-SD 4.26Å
315	V	98.9	Very high	98.7	Very high	7 Å²	7	26.3 Å²	26.3	4%	0.042	14%	0.136	C	C	.	.	H	α-helix	trans	-61.8	-43.4	175.1	173.5	0	0	0	0	111.2	M180 L184 L311 A312 L318 S319 M451 F460 V482	M180-V315 HydrophobicContact CB-CG1 4.32Å; M180-V315 HydrophobicContact CG-CG1 4.19Å; L184-V315 HydrophobicContact CD1-CG2 4.1Å; L311-V315 PolarHBondContact O-N 2.84Å; A312-V315 PolarHBondContact O-N 3.3Å; V315-L318 PolarHBondContact O-N 3.07Å; V315-S319 PolarHBondContact O-N 3.2Å; V315-S319 VanDerWaalsContact O-N 3.11Å; V315-M451 HydrophobicContact CG2-CE 4.25Å; V315-M451 HydrophobicContact CG2-SD 4.05Å; V315-F460 HydrophobicContact CG1-CD1 4.49Å; V315-V482 HydrophobicContact CG1-CG1 4.3Å
316	M	98.9	Very high	98.8	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.01	16%	0.155	C	C	.	.	H	α-helix	trans	-57.9	-52.7	177	-177.1	-170.4	78.3	0	0	111.4	A312 F313 T314 S319 Y364 F468 P478 V482	A312-M316 VanDerWaalsContact O-CB 3.23Å; A312-M316 WeakPolarHBondContact O-CB 3.48Å; A312-M316 PolarHBondContact O-N 3.07Å; F313-M316 HydrophobicContact CD1-CE 3.81Å; F313-M316 HydrophobicContact CE1-CE 4.34Å; F313-M316 PolarHBondContact O-N 3.4Å; T314-M316 VanDerWaalsContact C-N 3.35Å; T314-M316 PolarHBondContact O-N 2.87Å; M316-S319 WeakPolarHBondContact O-CB 3.35Å; M316-S319 PolarHBondContact O-N 3.01Å; M316-S319 PolarHBondContact O-OG 3.3Å; M316-Y364 HydrophobicContact CE-CE1 4.24Å; M316-F468 HydrophobicContact CE-CB 4.34Å; M316-F468 HydrophobicContact CE-CD1 4.18Å; M316-F468 HydrophobicContact CG-CD1 3.81Å; M316-F468 HydrophobicContact CG-CE1 4.11Å; M316-F468 WeakPolarHBondContact O-CE1 3.39Å; M316-F468 HydrophobicContact SD-CD1 4.3Å; M316-P478 HydrophobicContact SD-CB 4.01Å; M316-P478 HydrophobicContact SD-CG 4.25Å; M316-V482 HydrophobicContact CB-CG1 3.96Å; M316-V482 HydrophobicContact CB-CG2 4.02Å; M316-V482 HydrophobicContact CG-CG2 4.4Å
317	E	98.9	Very high	98.8	Very high	2 Å²	2	32 Å²	32	1%	0.009	16%	0.164	C	C	.	.	H	α-helix	trans	-65.9	-43.5	-179	-174.5	60.5	-134.2	0	0	111.8	F313 T314 S319 R320 Q321 Y364 F411	F313-E317 WeakPolarHBondContact O-CB 3.41Å; F313-E317 PolarHBondContact O-N 2.88Å; T314-E317 PolarHBondContact O-N 2.93Å; E317-S319 PolarHBondContact O-N 2.89Å; E317-R320 WeakPolarHBondContact O-CG 3.44Å; E317-R320 PolarHBondContact O-N 2.8Å; E317-R320 VanDerWaalsContact O-N 3.16Å; E317-R320 IonicContact OE1-CZ 2.6Å; E317-R320 IonicContact OE1-NE 3.46Å; E317-R320 PolarHBondContact OE1-NE 3.43Å; E317-R320 IonicContact OE1-NH2 3.02Å; E317-R320 PolarHBondContact OE1-NH2 3.06Å; E317-R320 IonicContact OE2-CZ 3.77Å; E317-R320 IonicContact OE2-NE 3.44Å; E317-R320 PolarHBondContact OE2-NE 3.43Å; E317-R320 IonicContact OE2-NH2 3.96Å; E317-R320 PolarHBondContact OE2-NH2 3.38Å; E317-Q321 HydrophobicContact CG-CG 4.31Å; E317-Q321 VanDerWaalsContact O-CG 3.29Å; E317-Q321 WeakPolarHBondContact O-CG 3.29Å; E317-Q321 PolarHBondContact OE1-NE2 2.98Å; E317-Y364 HydrophobicContact CB-CE2 4.1Å; E317-Y364 HydrophobicContact CG-CE2 4.18Å; E317-Y364 WeakPolarHBondContact OE2-CE2 3.49Å; E317-Y364 PolarHBondContact OE2-OH 3.16Å; E317-F411 HydrophobicContact CG-CB 4.22Å; E317-F411 HydrophobicContact CG-CD1 4.11Å; E317-F411 HydrophobicContact CG-CD2 3.56Å; E317-F411 HydrophobicContact CG-CE1 4.38Å; E317-F411 HydrophobicContact CG-CE2 3.84Å; E317-F411 HydrophobicContact CG-CG 3.7Å; E317-F411 HydrophobicContact CG-CZ 4.25Å
318	L	98.9	Very high	98.8	Very high	12 Å²	12	31.7 Å²	31.7	6%	0.063	16%	0.162	C	C	.	.	H	α-helix	trans	-62.2	-25.6	179.6	-72.6	-179.8	0	0	0	113.2	T314 V315 R320 Q321 I324 V325 L328 V356 M451	T314-L318 HydrophobicContact CG2-CD1 3.89Å; T314-L318 HydrophobicContact CG2-CG 4.32Å; T314-L318 VanDerWaalsContact O-CB 3.3Å; T314-L318 WeakPolarHBondContact O-CB 3.25Å; T314-L318 WeakPolarHBondContact O-CG 3.41Å; T314-L318 PolarHBondContact O-N 3.25Å; V315-L318 PolarHBondContact O-N 3.07Å; L318-R320 PolarHBondContact O-N 3.08Å; L318-Q321 HydrophobicContact CD2-CB 4.48Å; L318-Q321 PolarHBondContact O-N 3.05Å; L318-I324 HydrophobicContact CD2-CB 4.34Å; L318-I324 HydrophobicContact CD2-CG2 3.7Å; L318-V325 HydrophobicContact CB-CG2 3.91Å; L318-V325 HydrophobicContact CD2-CG2 4.2Å; L318-V325 HydrophobicContact CG-CG2 4.5Å; L318-V325 WeakPolarHBondContact O-CG2 3.41Å; L318-L328 HydrophobicContact CD1-CD1 3.73Å; L318-L328 HydrophobicContact CD2-CD1 3.78Å; L318-L328 HydrophobicContact CG-CD1 4.44Å; L318-V356 HydrophobicContact CD1-CG1 4.34Å; L318-V356 HydrophobicContact CD2-CG1 3.96Å; L318-V356 HydrophobicContact CG-CG1 4.44Å; L318-M451 HydrophobicContact CD1-CE 3.83Å
319	S	98.4	Very high	98.8	Very high	37 Å²	37	33 Å²	33	26%	0.259	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-16.9	176.9	77.3	0	0	0	0	114.5	V315 M316 E317	V315-S319 PolarHBondContact O-N 3.2Å; V315-S319 VanDerWaalsContact O-N 3.11Å; M316-S319 WeakPolarHBondContact O-CB 3.35Å; M316-S319 PolarHBondContact O-N 3.01Å; M316-S319 PolarHBondContact O-OG 3.3Å; E317-S319 PolarHBondContact O-N 2.89Å
320	R	98.4	Very high	98.8	Very high	113 Å²	113	35.6 Å²	35.6	43%	0.426	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.3	16.8	176.2	64.5	169.8	179.4	-165.8	0.5	113.7	E317 L318 P322 Y364 F468	E317-R320 WeakPolarHBondContact O-CG 3.44Å; E317-R320 PolarHBondContact O-N 2.8Å; E317-R320 VanDerWaalsContact O-N 3.16Å; E317-R320 IonicContact OE1-CZ 2.6Å; E317-R320 IonicContact OE1-NE 3.46Å; E317-R320 PolarHBondContact OE1-NE 3.43Å; E317-R320 IonicContact OE1-NH2 3.02Å; E317-R320 PolarHBondContact OE1-NH2 3.06Å; E317-R320 IonicContact OE2-CZ 3.77Å; E317-R320 IonicContact OE2-NE 3.44Å; E317-R320 PolarHBondContact OE2-NE 3.43Å; E317-R320 IonicContact OE2-NH2 3.96Å; E317-R320 PolarHBondContact OE2-NH2 3.38Å; L318-R320 PolarHBondContact O-N 3.08Å; R320-P322 VanDerWaalsContact C-CD 3.47Å; R320-P322 WeakPolarHBondContact O-CD 3.37Å; R320-Y364 PolarHBondContact NH2-OH 3.36Å; R320-F468 HydrophobicContact CB-CE1 4.37Å; R320-F468 HydrophobicContact CB-CZ 4.21Å; R320-F468 VanDerWaalsContact CD-CE1 3.47Å; R320-F468 HydrophobicContact CG-CE1 3.76Å; R320-F468 HydrophobicContact CG-CZ 4.07Å
321	Q	98.7	Very high	98.8	Very high	40 Å²	40	36.3 Å²	36.3	19%	0.187	19%	0.193	C	C	.	.			trans	-125.6	64.2	-177.6	-59.7	-69.5	-10.1	0	0	110.7	E317 L318 E323 I324 V325 F411	E317-Q321 HydrophobicContact CG-CG 4.31Å; E317-Q321 VanDerWaalsContact O-CG 3.29Å; E317-Q321 WeakPolarHBondContact O-CG 3.29Å; E317-Q321 PolarHBondContact OE1-NE2 2.98Å; L318-Q321 HydrophobicContact CD2-CB 4.48Å; L318-Q321 PolarHBondContact O-N 3.05Å; Q321-E323 VanDerWaalsContact C-N 3.28Å; Q321-E323 PolarHBondContact O-N 3.33Å; Q321-I324 HydrophobicContact CB-CB 3.97Å; Q321-I324 HydrophobicContact CB-CD1 3.96Å; Q321-I324 HydrophobicContact CB-CG1 4.16Å; Q321-I324 HydrophobicContact CG-CD1 4.15Å; Q321-I324 PolarHBondContact O-N 2.8Å; Q321-I324 VanDerWaalsContact O-N 3.15Å; Q321-V325 WeakPolarHBondContact O-CG2 3.26Å; Q321-V325 PolarHBondContact O-N 3.31Å; Q321-F411 HydrophobicContact CG-CD1 4.27Å
322	P	98.3	Very high	98.8	Very high	81 Å²	81	36.2 Å²	36.2	53%	0.526	19%	0.192	S	C	.	.	H	α-helix	trans	-60.9	-34.5	-171.4	23.6	-31.6	0	0	0	113.2	R320 V325 A326	R320-P322 VanDerWaalsContact C-CD 3.47Å; R320-P322 WeakPolarHBondContact O-CD 3.37Å; P322-V325 PolarHBondContact O-N 3.41Å; P322-A326 WeakPolarHBondContact O-CB 3.48Å; P322-A326 PolarHBondContact O-N 3.33Å
323	E	98.6	Very high	98.7	Very high	139 Å²	139	39.7 Å²	39.7	65%	0.65	21%	0.211	S	C	*	.	H	α-helix	trans	-67	-40.3	178.2	-58.1	75	-162.9	0	0	111.4	Q321 R327	Q321-E323 VanDerWaalsContact C-N 3.28Å; Q321-E323 PolarHBondContact O-N 3.33Å; E323-R327 PolarHBondContact O-N 3.43Å; E323-R327 VanDerWaalsContact O-N 3.14Å
324	I	98.9	Very high	98.7	Very high	13 Å²	13	47.1 Å²	47.1	7%	0.067	25%	0.246	C	C	.	.	H	α-helix	trans	-68.2	-42.9	176.3	-60.4	179.7	0	0	0	109.8	L318 Q321 R327 L328 Y352 V356 F411 P413	L318-I324 HydrophobicContact CD2-CB 4.34Å; L318-I324 HydrophobicContact CD2-CG2 3.7Å; Q321-I324 HydrophobicContact CB-CB 3.97Å; Q321-I324 HydrophobicContact CB-CD1 3.96Å; Q321-I324 HydrophobicContact CB-CG1 4.16Å; Q321-I324 HydrophobicContact CG-CD1 4.15Å; Q321-I324 PolarHBondContact O-N 2.8Å; Q321-I324 VanDerWaalsContact O-N 3.15Å; I324-R327 PolarHBondContact O-N 3.17Å; I324-L328 HydrophobicContact CG2-CD1 3.97Å; I324-L328 HydrophobicContact CG2-CG 4.32Å; I324-L328 WeakPolarHBondContact O-CB 3.34Å; I324-L328 VanDerWaalsContact O-CG 3.26Å; I324-L328 WeakPolarHBondContact O-CG 3.45Å; I324-L328 PolarHBondContact O-N 2.91Å; I324-Y352 HydrophobicContact CG2-CE1 4.04Å; I324-V356 HydrophobicContact CG2-CG2 3.61Å; I324-F411 HydrophobicContact CD1-CD1 3.52Å; I324-F411 HydrophobicContact CD1-CE1 3.7Å; I324-P413 HydrophobicContact CD1-CG 3.79Å; I324-P413 HydrophobicContact CG1-CG 4.43Å; I324-P413 HydrophobicContact CG2-CG 4.18Å
325	V	98.8	Very high	98.7	Very high	32 Å²	32	47.9 Å²	47.9	19%	0.194	25%	0.25	C	C	.	.	H	α-helix	trans	-60.8	-44.9	176.6	172.4	0	0	0	0	111.1	L318 Q321 P322 R327 L328 Q329	L318-V325 HydrophobicContact CB-CG2 3.91Å; L318-V325 HydrophobicContact CD2-CG2 4.2Å; L318-V325 HydrophobicContact CG-CG2 4.5Å; L318-V325 WeakPolarHBondContact O-CG2 3.41Å; Q321-V325 WeakPolarHBondContact O-CG2 3.26Å; Q321-V325 PolarHBondContact O-N 3.31Å; P322-V325 PolarHBondContact O-N 3.41Å; V325-R327 VanDerWaalsContact C-N 3.34Å; V325-R327 PolarHBondContact O-N 3.28Å; V325-L328 WeakPolarHBondContact O-CB 3.36Å; V325-L328 PolarHBondContact O-N 3.13Å; V325-Q329 HydrophobicContact CG1-CG 4.3Å; V325-Q329 VanDerWaalsContact O-CB 3.28Å; V325-Q329 WeakPolarHBondContact O-CB 3.04Å; V325-Q329 WeakPolarHBondContact O-CG 3.5Å; V325-Q329 PolarHBondContact O-N 3.27Å
326	A	98.6	Very high	98.7	Very high	55 Å²	55	47.8 Å²	47.8	46%	0.455	25%	0.249	S	C	.	.	H	α-helix	trans	-60.1	-43.1	177.5	0	0	0	0	0	112	P322 Q329 A330	P322-A326 WeakPolarHBondContact O-CB 3.48Å; P322-A326 PolarHBondContact O-N 3.33Å; A326-Q329 PolarHBondContact O-N 3.44Å; A326-A330 PolarHBondContact O-N 3.42Å
327	R	98.8	Very high	98.6	Very high	120 Å²	120	49.1 Å²	49.1	45%	0.453	26%	0.264	S	S	.	.	H	α-helix	trans	-68	-38.4	176.9	-174.7	171.8	173.5	-163.9	-0.5	112.7	E323 I324 V325 E331 Y352 D414	E323-R327 PolarHBondContact O-N 3.43Å; E323-R327 VanDerWaalsContact O-N 3.14Å; I324-R327 PolarHBondContact O-N 3.17Å; V325-R327 VanDerWaalsContact C-N 3.34Å; V325-R327 PolarHBondContact O-N 3.28Å; R327-E331 PolarHBondContact O-N 3.41Å; R327-Y352 HydrophobicContact CB-CD1 4.15Å; R327-Y352 HydrophobicContact CB-CE1 3.75Å; R327-Y352 VanDerWaalsContact CD-CZ 3.49Å; R327-Y352 HydrophobicContact CG-CD1 3.64Å; R327-Y352 HydrophobicContact CG-CE1 3.57Å; R327-Y352 HydrophobicContact CG-CG 4.25Å; R327-Y352 VanDerWaalsContact CZ-CD2 3.46Å; R327-D414 IonicContact CZ-OD1 2.88Å; R327-D414 IonicContact NH1-OD1 3.66Å; R327-D414 PolarHBondContact NH1-OD1 3Å
328	L	98.9	Very high	98.5	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-62.1	-45.6	173.9	-78.9	169	0	0	0	111.9	L318 I324 V325 E331 V332 Y352 L353 V356 L455	L318-L328 HydrophobicContact CD1-CD1 3.73Å; L318-L328 HydrophobicContact CD2-CD1 3.78Å; L318-L328 HydrophobicContact CG-CD1 4.44Å; I324-L328 HydrophobicContact CG2-CD1 3.97Å; I324-L328 HydrophobicContact CG2-CG 4.32Å; I324-L328 WeakPolarHBondContact O-CB 3.34Å; I324-L328 VanDerWaalsContact O-CG 3.26Å; I324-L328 WeakPolarHBondContact O-CG 3.45Å; I324-L328 PolarHBondContact O-N 2.91Å; V325-L328 WeakPolarHBondContact O-CB 3.36Å; V325-L328 PolarHBondContact O-N 3.13Å; L328-E331 PolarHBondContact O-N 3.46Å; L328-V332 WeakPolarHBondContact O-CG2 3.04Å; L328-V332 PolarHBondContact O-N 3.27Å; L328-Y352 HydrophobicContact CD2-CD1 3.94Å; L328-Y352 HydrophobicContact CG-CD1 4.07Å; L328-Y352 HydrophobicContact CG-CE1 4.26Å; L328-L353 VanDerWaalsContact CD2-CA 3.49Å; L328-L353 HydrophobicContact CD2-CB 3.88Å; L328-L353 HydrophobicContact CD2-CD1 3.94Å; L328-V356 HydrophobicContact CD1-CG1 4.18Å; L328-V356 HydrophobicContact CD1-CG2 4.11Å; L328-V356 HydrophobicContact CD2-CB 4.31Å; L328-V356 HydrophobicContact CD2-CG2 3.88Å; L328-V356 HydrophobicContact CG-CG2 4.15Å; L328-L455 HydrophobicContact CB-CD1 3.99Å; L328-L455 HydrophobicContact CB-CD2 4Å; L328-L455 HydrophobicContact CD1-CD1 4.24Å; L328-L455 HydrophobicContact CD1-CD2 4.19Å; L328-L455 HydrophobicContact CD2-CD1 4.27Å; L328-L455 HydrophobicContact CG-CD1 4.42Å
329	Q	98.8	Very high	98.4	Very high	27 Å²	27	57.9 Å²	57.9	13%	0.126	32%	0.316	C	S	.	.	H	α-helix	trans	-61.4	-44.7	178	-84.8	-179.4	-9	0	0	111.6	V325 A326 V332 D333 L455 R489	V325-Q329 HydrophobicContact CG1-CG 4.3Å; V325-Q329 VanDerWaalsContact O-CB 3.28Å; V325-Q329 WeakPolarHBondContact O-CB 3.04Å; V325-Q329 WeakPolarHBondContact O-CG 3.5Å; V325-Q329 PolarHBondContact O-N 3.27Å; A326-Q329 PolarHBondContact O-N 3.44Å; Q329-V332 PolarHBondContact O-N 3.13Å; Q329-D333 PolarHBondContact O-N 3.48Å; Q329-L455 HydrophobicContact CG-CD2 4.43Å; Q329-R489 VanDerWaalsContact CD-NE 3.29Å
330	A	98.8	Very high	98.3	Very high	54 Å²	54	63.3 Å²	63.3	45%	0.446	33%	0.331	S	S	.	.	H	α-helix	trans	-61.9	-42.5	174.4	0	0	0	0	0	112.8	A326 D333 E334	A326-A330 PolarHBondContact O-N 3.42Å; A330-D333 PolarHBondContact O-N 3.1Å; A330-E334 WeakPolarHBondContact O-CB 3.35Å; A330-E334 PolarHBondContact O-N 2.97Å
331	E	98.8	Very high	98.3	Very high	27 Å²	27	62.5 Å²	62.5	13%	0.126	33%	0.328	C	S	.	.	H	α-helix	trans	-61	-44.1	174.4	172	175.2	-94.8	0	0	111.7	R327 L328 D333 E334 V335 L350 Q351 Y352 L353	R327-E331 PolarHBondContact O-N 3.41Å; L328-E331 PolarHBondContact O-N 3.46Å; E331-D333 VanDerWaalsContact C-N 3.34Å; E331-D333 PolarHBondContact O-N 3.28Å; E331-E334 PolarHBondContact O-N 3.28Å; E331-V335 HydrophobicContact CG-CG2 4.16Å; E331-V335 WeakPolarHBondContact O-CB 3.34Å; E331-V335 VanDerWaalsContact O-CG2 3.29Å; E331-V335 WeakPolarHBondContact O-CG2 3.38Å; E331-V335 PolarHBondContact O-N 3.33Å; E331-L350 HydrophobicContact CG-CD2 4.13Å; E331-L350 WeakPolarHBondContact OE2-CA 3.26Å; E331-Q351 PolarHBondContact OE1-N 3.21Å; E331-Q351 PolarHBondContact OE2-N 3.14Å; E331-Y352 WeakPolarHBondContact OE1-CA 3.31Å; E331-Y352 WeakPolarHBondContact OE1-CB 3.43Å; E331-Y352 PolarHBondContact OE1-N 2.9Å; E331-Y352 PolarHBondContact OE2-N 3.46Å; E331-L353 PolarHBondContact OE2-N 3.5Å
332	V	98.8	Very high	98.3	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-62.1	-43.5	178.4	167.2	0	0	0	0	110.7	L328 Q329 E334 V335 I336 G337 L350 L455 Q456	L328-V332 WeakPolarHBondContact O-CG2 3.04Å; L328-V332 PolarHBondContact O-N 3.27Å; Q329-V332 PolarHBondContact O-N 3.13Å; V332-E334 VanDerWaalsContact C-N 3.35Å; V332-E334 PolarHBondContact O-N 3.17Å; V332-V335 PolarHBondContact O-N 2.68Å; V332-I336 HydrophobicContact CG1-CD1 3.87Å; V332-I336 HydrophobicContact CG1-CG1 3.83Å; V332-I336 WeakPolarHBondContact O-CG1 3.44Å; V332-I336 PolarHBondContact O-N 2.94Å; V332-G337 PolarHBondContact O-N 3.42Å; V332-L350 HydrophobicContact CG2-CD2 4.15Å; V332-L455 HydrophobicContact CG2-CB 4.11Å; V332-L455 HydrophobicContact CG2-CD1 4.31Å; V332-Q456 HydrophobicContact CG1-CB 3.82Å; V332-Q456 HydrophobicContact CG1-CG 4.25Å
333	D	98.6	Very high	98.3	Very high	72 Å²	72	59.7 Å²	59.7	39%	0.385	31%	0.31	S	S	.	.	H	α-helix	trans	-61.6	-42.3	176.7	-64.1	-20.8	0	0	0	112.2	Q329 A330 E331 G337 R489	Q329-D333 PolarHBondContact O-N 3.48Å; A330-D333 PolarHBondContact O-N 3.1Å; E331-D333 VanDerWaalsContact C-N 3.34Å; E331-D333 PolarHBondContact O-N 3.28Å; D333-G337 WeakPolarHBondContact O-CA 3.43Å; D333-G337 PolarHBondContact O-N 3.11Å; D333-R489 IonicContact OD1-CZ 3.46Å; D333-R489 IonicContact OD1-NH1 2.7Å; D333-R489 PolarHBondContact OD1-NH1 2.85Å; D333-R489 IonicContact OD1-NH2 3.36Å; D333-R489 PolarHBondContact OD1-NH2 3.19Å; D333-R489 IonicContact OD2-CZ 3.55Å; D333-R489 IonicContact OD2-NH1 3.58Å; D333-R489 IonicContact OD2-NH2 2.67Å; D333-R489 PolarHBondContact OD2-NH2 2.9Å
334	E	98.6	Very high	98.2	Very high	157 Å²	157	56.1 Å²	56.1	73%	0.734	29%	0.293	S	S	*	.	H	α-helix	trans	-68.7	-44	179.9	-172.8	-169.3	143.1	0	0	112.3	A330 E331 V332	A330-E334 WeakPolarHBondContact O-CB 3.35Å; A330-E334 PolarHBondContact O-N 2.97Å; E331-E334 PolarHBondContact O-N 3.28Å; V332-E334 VanDerWaalsContact C-N 3.35Å; V332-E334 PolarHBondContact O-N 3.17Å
335	V	98.6	Very high	98.2	Very high	15 Å²	15	62.3 Å²	62.3	9%	0.091	32%	0.321	C	S	.	.	H	α-helix	trans	-80.4	-47.6	-170.9	176	0	0	0	0	111.7	E331 V332 R349 L350	E331-V335 HydrophobicContact CG-CG2 4.16Å; E331-V335 WeakPolarHBondContact O-CB 3.34Å; E331-V335 VanDerWaalsContact O-CG2 3.29Å; E331-V335 WeakPolarHBondContact O-CG2 3.38Å; E331-V335 PolarHBondContact O-N 3.33Å; V332-V335 PolarHBondContact O-N 2.68Å; V335-R349 HydrophobicContact CB-CB 4.47Å; V335-R349 HydrophobicContact CG1-CB 3.5Å; V335-R349 HydrophobicContact CG2-CB 4.04Å; V335-R349 PolarHBondContact O-NH1 2.87Å; V335-L350 HydrophobicContact CB-CD2 4.01Å; V335-L350 HydrophobicContact CG1-CD2 4.13Å; V335-L350 HydrophobicContact CG1-CG 4.3Å; V335-L350 HydrophobicContact CG2-CD2 4.31Å
336	I	97.8	Very high	98.2	Very high	6 Å²	6	60.9 Å²	60.9	3%	0.031	31%	0.313	C	S	.	.	H	α-helix	trans	-117.7	-11.5	-172.7	66.6	168.5	0	0	0	113.5	V332 S338 K339 L342 D346 A452	V332-I336 HydrophobicContact CG1-CD1 3.87Å; V332-I336 HydrophobicContact CG1-CG1 3.83Å; V332-I336 WeakPolarHBondContact O-CG1 3.44Å; V332-I336 PolarHBondContact O-N 2.94Å; I336-S338 PolarHBondContact O-N 2.93Å; I336-K339 WeakPolarHBondContact O-CB 3.35Å; I336-K339 VanDerWaalsContact O-CG 3.27Å; I336-K339 WeakPolarHBondContact O-CG 3.4Å; I336-K339 PolarHBondContact O-N 3.19Å; I336-L342 HydrophobicContact CD1-CD1 3.92Å; I336-L342 HydrophobicContact CD1-CD2 4.02Å; I336-L342 HydrophobicContact CD1-CG 3.97Å; I336-L342 HydrophobicContact CG2-CD2 4.49Å; I336-L342 HydrophobicContact CG2-CG 4.27Å; I336-D346 HydrophobicContact CG2-CB 3.79Å; I336-A452 HydrophobicContact CD1-CB 4.37Å
337	G	97.2	Very high	98.2	Very high	30 Å²	30	58.8 Å²	58.8	31%	0.309	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	-124.3	-177.9	0	0	0	0	0	111.6	V332 D333 Q456	V332-G337 PolarHBondContact O-N 3.42Å; D333-G337 WeakPolarHBondContact O-CA 3.43Å; D333-G337 PolarHBondContact O-N 3.11Å; G337-Q456 PolarHBondContact O-NE2 3.46Å
338	S	96.5	Very high	98.1	Very high	117 Å²	117	56.2 Å²	56.2	82%	0.818	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.9	16.8	175.1	65.9	0	0	0	0	113.7	I336 R340	I336-S338 PolarHBondContact O-N 2.93Å; S338-R340 PolarHBondContact O-N 3.41Å
339	K	96.6	Very high	98.1	Very high	80 Å²	80	62.6 Å²	62.6	35%	0.348	33%	0.328	S	S	.	.			trans	-56.7	129.9	176.9	-74.2	177.6	68.9	-173.1	0	109.6	I336 Y341 D343 D346 Q456	I336-K339 WeakPolarHBondContact O-CB 3.35Å; I336-K339 VanDerWaalsContact O-CG 3.27Å; I336-K339 WeakPolarHBondContact O-CG 3.4Å; I336-K339 PolarHBondContact O-N 3.19Å; K339-Y341 WeakPolarHBondContact CE-O 3.45Å; K339-D343 IonicContact NZ-OD2 3.39Å; K339-D343 PolarHBondContact NZ-OD2 2.82Å; K339-D346 IonicContact NZ-OD1 2.65Å; K339-D346 IonicContact NZ-OD2 3.88Å; K339-D346 PolarHBondContact NZ-OD2 3.33Å; K339-Q456 PolarHBondContact O-NE2 3.27Å
340	R	96.5	Very high	98.1	Very high	152 Å²	152	61.3 Å²	61.3	57%	0.574	32%	0.322	S	S	*	.	S	Bend	trans	-81.2	-26.7	177	-162.9	168.3	-171.5	175	-3.5	112.6	E162 E166 S338 K453	E162-R340 VanDerWaalsContact CD-NE 3.33Å; E162-R340 HydrophobicContact CG-CG 4.49Å; E162-R340 IonicContact OE1-CZ 2.75Å; E162-R340 IonicContact OE1-NE 2.79Å; E162-R340 PolarHBondContact OE1-NE 3.2Å; E162-R340 IonicContact OE1-NH2 2.71Å; E162-R340 PolarHBondContact OE1-NH2 3.47Å; E166-R340 IonicContact OE1-CZ 3.35Å; E166-R340 IonicContact OE1-NH2 3.23Å; E166-R340 PolarHBondContact OE1-NH2 3.18Å; S338-R340 PolarHBondContact O-N 3.41Å; R340-K453 WeakPolarHBondContact O-CE 3.29Å; R340-K453 PolarHBondContact O-NZ 3.35Å
341	Y	98.5	Very high	98.1	Very high	96 Å²	96	63.4 Å²	63.4	38%	0.376	32%	0.323	S	S	.	.	S	Bend	trans	-114.1	129.3	176.5	-171.1	-85.9	0	0	0	109.4	M154 E155 N158 K339	M154-Y341 VanDerWaalsContact C-OH 3.25Å; E155-Y341 WeakPolarHBondContact CA-OH 3.49Å; E155-Y341 PolarHBondContact N-OH 3.36Å; E155-Y341 VanDerWaalsContact N-OH 3.13Å; N158-Y341 HydrophobicContact CB-CD2 3.52Å; N158-Y341 HydrophobicContact CB-CE2 3.5Å; N158-Y341 VanDerWaalsContact CB-CE2 3.5Å; N158-Y341 HydrophobicContact CB-CG 4.37Å; N158-Y341 WeakPolarHBondContact ND2-CE2 3.24Å; K339-Y341 WeakPolarHBondContact CE-O 3.45Å
342	L	98.6	Very high	98.1	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	32%	0.319	C	S	.	.			trans	-91.9	125.9	173.9	-76	76.6	0	0	0	109.3	M154 N158 I336 L347 L350 A452 K453	M154-L342 WeakPolarHBondContact CE-O 3.48Å; N158-L342 PolarHBondContact ND2-O 2.9Å; N158-L342 PolarHBondContact OD1-N 2.88Å; I336-L342 HydrophobicContact CD1-CD1 3.92Å; I336-L342 HydrophobicContact CD1-CD2 4.02Å; I336-L342 HydrophobicContact CD1-CG 3.97Å; I336-L342 HydrophobicContact CG2-CD2 4.49Å; I336-L342 HydrophobicContact CG2-CG 4.27Å; L342-L347 HydrophobicContact CD2-CD2 4.1Å; L342-L350 HydrophobicContact CD2-CD1 4.24Å; L342-A452 HydrophobicContact CD2-CB 3.67Å; L342-K453 HydrophobicContact CD1-CD 4.43Å; L342-K453 HydrophobicContact CD1-CG 3.92Å
343	D	98.2	Very high	98.1	Very high	62 Å²	62	62.7 Å²	62.7	33%	0.332	32%	0.319	S	S	.	.			trans	-80.5	161.5	173	-63.2	-61.5	0	0	0	110.6	K339 E345 D346	K339-D343 IonicContact NZ-OD2 3.39Å; K339-D343 PolarHBondContact NZ-OD2 2.82Å; D343-E345 HydrophobicContact CB-CG 4Å; D343-E345 PolarHBondContact O-N 3.12Å; D343-D346 PolarHBondContact N-OD2 3.21Å; D343-D346 WeakPolarHBondContact O-CB 3.39Å; D343-D346 PolarHBondContact O-N 3.02Å; D343-D346 VanDerWaalsContact O-N 3.14Å
344	F	97.9	Very high	98.1	Very high	64 Å²	64	60.9 Å²	60.9	28%	0.281	31%	0.312	S	S	.	.	H	α-helix	trans	-57.4	-35.6	178.2	177.2	-98.1	0	0	0	112.5	V151 M154 L347 M445	V151-F344 HydrophobicContact CG1-CB 4.47Å; V151-F344 HydrophobicContact CG2-CB 4.38Å; V151-F344 HydrophobicContact CG2-CD1 4.18Å; V151-F344 HydrophobicContact CG2-CD2 3.76Å; V151-F344 HydrophobicContact CG2-CE1 4.46Å; V151-F344 HydrophobicContact CG2-CE2 4.05Å; V151-F344 HydrophobicContact CG2-CG 3.82Å; V151-F344 HydrophobicContact CG2-CZ 4.39Å; M154-F344 HydrophobicContact CG-CB 4.24Å; F344-L347 WeakPolarHBondContact O-CB 3.26Å; F344-L347 PolarHBondContact O-N 3.13Å; F344-M445 HydrophobicContact CD2-CE 3.57Å; F344-M445 HydrophobicContact CD2-SD 4.34Å; F344-M445 HydrophobicContact CE2-CE 3.69Å; F344-M445 HydrophobicContact CE2-SD 3.84Å
345	E	97.9	Very high	98.1	Very high	142 Å²	142	53.7 Å²	53.7	66%	0.664	28%	0.278	S	S	*	.	H	α-helix	trans	-69	-31	179.4	58.5	-176.5	-153.3	0	0	113.6	D343 L347 G348	D343-E345 HydrophobicContact CB-CG 4Å; D343-E345 PolarHBondContact O-N 3.12Å; E345-L347 PolarHBondContact O-N 2.82Å; E345-G348 PolarHBondContact O-N 3.43Å; E345-G348 VanDerWaalsContact O-N 3.12Å
346	D	98.5	Very high	98.1	Very high	3 Å²	3	53 Å²	53	2%	0.016	27%	0.274	C	S	.	.	H	α-helix	trans	-60.9	-38.2	176.4	-65.5	-34.8	0	0	0	110.5	I336 K339 D343 G348 R349 L350	I336-D346 HydrophobicContact CG2-CB 3.79Å; K339-D346 IonicContact NZ-OD1 2.65Å; K339-D346 IonicContact NZ-OD2 3.88Å; K339-D346 PolarHBondContact NZ-OD2 3.33Å; D343-D346 PolarHBondContact N-OD2 3.21Å; D343-D346 WeakPolarHBondContact O-CB 3.39Å; D343-D346 PolarHBondContact O-N 3.02Å; D343-D346 VanDerWaalsContact O-N 3.14Å; D346-G348 PolarHBondContact O-N 3.44Å; D346-R349 PolarHBondContact O-N 3Å; D346-L350 PolarHBondContact O-N 2.94Å
347	L	98.5	Very high	98.2	Very high	11 Å²	11	53.2 Å²	53.2	6%	0.058	28%	0.275	C	S	.	.	H	α-helix	trans	-61.5	-29.6	179	-55.7	-172	0	0	0	113.1	M154 L342 F344 E345 R349 L350 M445 K448 V449	M154-L347 HydrophobicContact CE-CD1 3.8Å; M154-L347 HydrophobicContact CE-CD2 4.43Å; M154-L347 HydrophobicContact CE-CG 4.1Å; M154-L347 HydrophobicContact SD-CD1 3.67Å; L342-L347 HydrophobicContact CD2-CD2 4.1Å; F344-L347 WeakPolarHBondContact O-CB 3.26Å; F344-L347 PolarHBondContact O-N 3.13Å; E345-L347 PolarHBondContact O-N 2.82Å; L347-R349 VanDerWaalsContact C-N 3.32Å; L347-L350 HydrophobicContact CD2-CD1 4.41Å; L347-M445 HydrophobicContact CD1-CB 3.99Å; L347-M445 HydrophobicContact CD1-CG 3.96Å; L347-K448 HydrophobicContact CB-CD 4.32Å; L347-K448 HydrophobicContact CD2-CB 4Å; L347-K448 PolarHBondContact O-NZ 3.48Å; L347-V449 HydrophobicContact CD1-CG2 4.23Å; L347-V449 HydrophobicContact CD2-CG2 3.81Å
348	G	97	Very high	98.3	Very high	65 Å²	65	55.3 Å²	55.3	67%	0.67	28%	0.276	S	S	*	.	H	α-helix	trans	-70.8	-29	176.1	0	0	0	0	0	112.9	E345 D346	E345-G348 PolarHBondContact O-N 3.43Å; E345-G348 VanDerWaalsContact O-N 3.12Å; D346-G348 PolarHBondContact O-N 3.44Å
349	R	98.6	Very high	98.4	Very high	134 Å²	134	49.7 Å²	49.7	51%	0.506	24%	0.237	S	C	.	.	H	α-helix	trans	-87.1	-22.9	-177.3	-65.8	172.5	63	-154	-3.8	113.5	V335 D346 L347 Q351	V335-R349 HydrophobicContact CB-CB 4.47Å; V335-R349 HydrophobicContact CG1-CB 3.5Å; V335-R349 HydrophobicContact CG2-CB 4.04Å; V335-R349 PolarHBondContact O-NH1 2.87Å; D346-R349 PolarHBondContact O-N 3Å; L347-R349 VanDerWaalsContact C-N 3.32Å; R349-Q351 PolarHBondContact O-N 3.42Å
350	L	98.8	Very high	98.5	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.22	C	C	.	.			trans	-71.4	68.4	172	-64.4	172.7	0	0	0	111.3	E331 V332 V335 L342 D346 L347 L353 S354 K448 A452	E331-L350 HydrophobicContact CG-CD2 4.13Å; E331-L350 WeakPolarHBondContact OE2-CA 3.26Å; V332-L350 HydrophobicContact CG2-CD2 4.15Å; V335-L350 HydrophobicContact CB-CD2 4.01Å; V335-L350 HydrophobicContact CG1-CD2 4.13Å; V335-L350 HydrophobicContact CG1-CG 4.3Å; V335-L350 HydrophobicContact CG2-CD2 4.31Å; L342-L350 HydrophobicContact CD2-CD1 4.24Å; D346-L350 PolarHBondContact O-N 2.94Å; L347-L350 HydrophobicContact CD2-CD1 4.41Å; L350-L353 HydrophobicContact CB-CB 4.19Å; L350-L353 HydrophobicContact CB-CD2 4.33Å; L350-L353 HydrophobicContact CD1-CD2 4.07Å; L350-S354 WeakPolarHBondContact O-CB 3.37Å; L350-S354 PolarHBondContact O-N 3Å; L350-K448 PolarHBondContact O-NZ 3.46Å; L350-A452 HydrophobicContact CD1-CB 3.82Å
351	Q	98.8	Very high	98.6	Very high	98 Å²	98	39.2 Å²	39.2	46%	0.458	20%	0.196	S	C	.	.	H	α-helix	trans	-76.5	-45.7	-168.9	-179.1	178.3	-21	0	0	112	E331 R349 S354 Q355	E331-Q351 PolarHBondContact OE1-N 3.21Å; E331-Q351 PolarHBondContact OE2-N 3.14Å; R349-Q351 PolarHBondContact O-N 3.42Å; Q351-S354 WeakPolarHBondContact O-CA 3.35Å; Q351-S354 WeakPolarHBondContact O-CB 3.32Å; Q351-S354 PolarHBondContact O-N 3.1Å; Q351-Q355 WeakPolarHBondContact O-CG 3.34Å; Q351-Q355 PolarHBondContact O-N 3.12Å; Q351-Q355 VanDerWaalsContact O-N 3.1Å
352	Y	98.9	Very high	98.6	Very high	13 Å²	13	34.6 Å²	34.6	5%	0.051	18%	0.178	C	C	.	.	H	α-helix	trans	-70.1	-39.3	178.8	-166.7	-114.2	0	0	0	111.4	I324 R327 L328 E331 S354 Q355 V356 P413	I324-Y352 HydrophobicContact CG2-CE1 4.04Å; R327-Y352 HydrophobicContact CB-CD1 4.15Å; R327-Y352 HydrophobicContact CB-CE1 3.75Å; R327-Y352 VanDerWaalsContact CD-CZ 3.49Å; R327-Y352 HydrophobicContact CG-CD1 3.64Å; R327-Y352 HydrophobicContact CG-CE1 3.57Å; R327-Y352 HydrophobicContact CG-CG 4.25Å; R327-Y352 VanDerWaalsContact CZ-CD2 3.46Å; L328-Y352 HydrophobicContact CD2-CD1 3.94Å; L328-Y352 HydrophobicContact CG-CD1 4.07Å; L328-Y352 HydrophobicContact CG-CE1 4.26Å; E331-Y352 WeakPolarHBondContact OE1-CA 3.31Å; E331-Y352 WeakPolarHBondContact OE1-CB 3.43Å; E331-Y352 PolarHBondContact OE1-N 2.9Å; E331-Y352 PolarHBondContact OE2-N 3.46Å; Y352-S354 PolarHBondContact O-N 3.25Å; Y352-Q355 HydrophobicContact CD2-CB 4.43Å; Y352-Q355 WeakPolarHBondContact O-CA 3.5Å; Y352-Q355 WeakPolarHBondContact O-CB 3.45Å; Y352-Q355 PolarHBondContact O-N 2.98Å; Y352-V356 HydrophobicContact CD1-CG2 4.27Å; Y352-V356 HydrophobicContact CE1-CG2 4.02Å; Y352-V356 WeakPolarHBondContact O-CG2 3.41Å; Y352-V356 PolarHBondContact O-N 3.44Å; Y352-P413 HydrophobicContact CE2-CB 3.83Å
353	L	98.9	Very high	98.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-55.4	-40.5	167.3	178.9	59.4	0	0	0	111.2	L328 E331 L350 Q355 V356 L357 K448 M451 A452 L455	L328-L353 VanDerWaalsContact CD2-CA 3.49Å; L328-L353 HydrophobicContact CD2-CB 3.88Å; L328-L353 HydrophobicContact CD2-CD1 3.94Å; E331-L353 PolarHBondContact OE2-N 3.5Å; L350-L353 HydrophobicContact CB-CB 4.19Å; L350-L353 HydrophobicContact CB-CD2 4.33Å; L350-L353 HydrophobicContact CD1-CD2 4.07Å; L353-Q355 VanDerWaalsContact C-N 3.28Å; L353-Q355 PolarHBondContact O-N 2.91Å; L353-V356 PolarHBondContact O-N 2.86Å; L353-L357 HydrophobicContact CD1-CD1 4.13Å; L353-L357 HydrophobicContact CD1-CG 4.14Å; L353-L357 HydrophobicContact CG-CD1 3.97Å; L353-L357 HydrophobicContact CG-CG 4.44Å; L353-L357 WeakPolarHBondContact O-CB 3.38Å; L353-L357 VanDerWaalsContact O-CG 3.25Å; L353-L357 WeakPolarHBondContact O-CG 3.47Å; L353-L357 PolarHBondContact O-N 2.98Å; L353-K448 HydrophobicContact CD2-CB 4.37Å; L353-K448 HydrophobicContact CD2-CG 4.19Å; L353-K448 HydrophobicContact CG-CG 4.49Å; L353-M451 HydrophobicContact CD1-CB 3.9Å; L353-M451 HydrophobicContact CD2-CB 4.27Å; L353-A452 HydrophobicContact CD2-CB 4.25Å; L353-L455 HydrophobicContact CD1-CD1 4.06Å
354	S	98.9	Very high	98.7	Very high	33 Å²	33	32.3 Å²	32.3	23%	0.231	16%	0.164	C	C	.	.	H	α-helix	trans	-61.7	-33.7	174.3	-125.9	0	0	0	0	113.6	L350 Q351 Y352 K358 K448	L350-S354 WeakPolarHBondContact O-CB 3.37Å; L350-S354 PolarHBondContact O-N 3Å; Q351-S354 WeakPolarHBondContact O-CA 3.35Å; Q351-S354 WeakPolarHBondContact O-CB 3.32Å; Q351-S354 PolarHBondContact O-N 3.1Å; Y352-S354 PolarHBondContact O-N 3.25Å; S354-K358 WeakPolarHBondContact O-CD 3.27Å; S354-K358 VanDerWaalsContact O-CG 3.24Å; S354-K358 WeakPolarHBondContact O-CG 3.42Å; S354-K358 PolarHBondContact O-N 2.84Å; S354-K448 WeakPolarHBondContact OG-CE 3.44Å; S354-K448 PolarHBondContact OG-NZ 3.28Å
355	Q	98.9	Very high	98.7	Very high	7 Å²	7	29.2 Å²	29.2	3%	0.033	15%	0.151	C	C	.	.	H	α-helix	trans	-73.1	-46.4	177	-67.5	170.4	43.9	0	0	110.9	Q351 Y352 L353 L357 K358 E359 P413 F416	Q351-Q355 WeakPolarHBondContact O-CG 3.34Å; Q351-Q355 PolarHBondContact O-N 3.12Å; Q351-Q355 VanDerWaalsContact O-N 3.1Å; Y352-Q355 HydrophobicContact CD2-CB 4.43Å; Y352-Q355 WeakPolarHBondContact O-CA 3.5Å; Y352-Q355 WeakPolarHBondContact O-CB 3.45Å; Y352-Q355 PolarHBondContact O-N 2.98Å; L353-Q355 VanDerWaalsContact C-N 3.28Å; L353-Q355 PolarHBondContact O-N 2.91Å; Q355-L357 PolarHBondContact O-N 2.68Å; Q355-K358 PolarHBondContact O-N 3.08Å; Q355-E359 PolarHBondContact O-N 3.08Å; Q355-P413 HydrophobicContact CB-CB 3.99Å; Q355-F416 HydrophobicContact CB-CB 4.3Å; Q355-F416 HydrophobicContact CG-CB 4.18Å
356	V	98.9	Very high	98.7	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-57.5	-46.9	176.4	169.9	0	0	0	0	111.2	T314 L318 I324 L328 Y352 L353 K358 E359 S360 F411 P413	T314-V356 HydrophobicContact CG2-CG1 4.34Å; L318-V356 HydrophobicContact CD1-CG1 4.34Å; L318-V356 HydrophobicContact CD2-CG1 3.96Å; L318-V356 HydrophobicContact CG-CG1 4.44Å; I324-V356 HydrophobicContact CG2-CG2 3.61Å; L328-V356 HydrophobicContact CD1-CG1 4.18Å; L328-V356 HydrophobicContact CD1-CG2 4.11Å; L328-V356 HydrophobicContact CD2-CB 4.31Å; L328-V356 HydrophobicContact CD2-CG2 3.88Å; L328-V356 HydrophobicContact CG-CG2 4.15Å; Y352-V356 HydrophobicContact CD1-CG2 4.27Å; Y352-V356 HydrophobicContact CE1-CG2 4.02Å; Y352-V356 WeakPolarHBondContact O-CG2 3.41Å; Y352-V356 PolarHBondContact O-N 3.44Å; L353-V356 PolarHBondContact O-N 2.86Å; V356-K358 VanDerWaalsContact C-N 3.32Å; V356-K358 PolarHBondContact O-N 2.77Å; V356-E359 PolarHBondContact O-N 3.34Å; V356-S360 WeakPolarHBondContact O-CB 3.38Å; V356-S360 PolarHBondContact O-N 3.37Å; V356-F411 HydrophobicContact CG1-CE1 4.36Å; V356-F411 HydrophobicContact CG1-CZ 3.98Å; V356-P413 HydrophobicContact CB-CG 4.48Å; V356-P413 HydrophobicContact CG2-CB 3.88Å; V356-P413 HydrophobicContact CG2-CG 3.61Å
357	L	98.9	Very high	98.7	Very high	11 Å²	11	24.9 Å²	24.9	6%	0.058	14%	0.139	C	C	.	.	H	α-helix	trans	-63.3	-37.5	178.4	-69.8	167.6	0	0	0	112.2	H310 T314 L353 Q355 S360 L361 V447 K448 M451	H310-L357 PolarHBondContact CE1-O 2.72Å; H310-L357 VanDerWaalsContact CE1-O 3.29Å; T314-L357 HydrophobicContact CG2-CD2 4.09Å; L353-L357 HydrophobicContact CD1-CD1 4.13Å; L353-L357 HydrophobicContact CD1-CG 4.14Å; L353-L357 HydrophobicContact CG-CD1 3.97Å; L353-L357 HydrophobicContact CG-CG 4.44Å; L353-L357 WeakPolarHBondContact O-CB 3.38Å; L353-L357 VanDerWaalsContact O-CG 3.25Å; L353-L357 WeakPolarHBondContact O-CG 3.47Å; L353-L357 PolarHBondContact O-N 2.98Å; Q355-L357 PolarHBondContact O-N 2.68Å; L357-S360 PolarHBondContact O-N 3.41Å; L357-L361 WeakPolarHBondContact O-CG 3Å; L357-L361 PolarHBondContact O-N 2.8Å; L357-V447 HydrophobicContact CD1-CG2 3.97Å; L357-V447 HydrophobicContact CD2-CG2 4.25Å; L357-K448 HydrophobicContact CD1-CG 3.67Å; L357-M451 HydrophobicContact CD2-CG 4.21Å
358	K	98.9	Very high	98.7	Very high	73 Å²	73	25.4 Å²	25.4	32%	0.317	14%	0.141	S	C	.	.	H	α-helix	trans	-67.1	-42.4	175.4	-73.5	169.9	-174	168.8	0	112	S354 Q355 V356 S360 L361 R362 F416 Y427	S354-K358 WeakPolarHBondContact O-CD 3.27Å; S354-K358 VanDerWaalsContact O-CG 3.24Å; S354-K358 WeakPolarHBondContact O-CG 3.42Å; S354-K358 PolarHBondContact O-N 2.84Å; Q355-K358 PolarHBondContact O-N 3.08Å; V356-K358 VanDerWaalsContact C-N 3.32Å; V356-K358 PolarHBondContact O-N 2.77Å; K358-S360 VanDerWaalsContact C-N 3.32Å; K358-L361 PolarHBondContact O-N 2.96Å; K358-R362 PolarHBondContact O-N 2.84Å; K358-F416 HydrophobicContact CB-CB 4.35Å; K358-F416 HydrophobicContact CB-CD1 3.91Å; K358-F416 HydrophobicContact CB-CD2 3.71Å; K358-F416 HydrophobicContact CB-CE1 4.05Å; K358-F416 HydrophobicContact CB-CE2 3.88Å; K358-F416 HydrophobicContact CB-CG 3.72Å; K358-F416 HydrophobicContact CB-CZ 4.04Å; K358-F416 HydrophobicContact CD-CB 3.95Å; K358-F416 HydrophobicContact CD-CD1 3.71Å; K358-F416 HydrophobicContact CD-CE1 4.37Å; K358-F416 HydrophobicContact CD-CG 3.88Å; K358-F416 HydrophobicContact CG-CD1 4.38Å; K358-F416 HydrophobicContact CG-CG 4.47Å; K358-Y427 VanDerWaalsContact CA-OH 3.3Å; K358-Y427 WeakPolarHBondContact CA-OH 2.89Å; K358-Y427 WeakPolarHBondContact O-CE2 3.46Å; K358-Y427 PolarHBondContact O-OH 3.43Å
359	E	98.9	Very high	98.8	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-66.2	-37.1	176.9	-176.3	66.6	172.7	0	0	111.7	Q355 V356 L361 R362 L363 F411 N412 R415 F416	Q355-E359 PolarHBondContact O-N 3.08Å; V356-E359 PolarHBondContact O-N 3.34Å; E359-L361 PolarHBondContact O-N 3.31Å; E359-R362 VanDerWaalsContact CD-NE 3.28Å; E359-R362 WeakPolarHBondContact O-CB 3.23Å; E359-R362 PolarHBondContact O-N 3.33Å; E359-R362 VanDerWaalsContact O-N 3.11Å; E359-R362 IonicContact OE1-CZ 3.65Å; E359-R362 IonicContact OE1-NE 2.66Å; E359-R362 PolarHBondContact OE1-NE 2.92Å; E359-R362 IonicContact OE1-NH2 3.97Å; E359-R362 PolarHBondContact OE1-NH2 2.81Å; E359-R362 WeakPolarHBondContact OE2-CD 3.41Å; E359-R362 IonicContact OE2-CZ 2.76Å; E359-R362 IonicContact OE2-NE 3.4Å; E359-R362 PolarHBondContact OE2-NE 3.01Å; E359-R362 IonicContact OE2-NH2 3.83Å; E359-L363 PolarHBondContact O-N 3.41Å; E359-F411 HydrophobicContact CB-CD2 4.38Å; E359-F411 HydrophobicContact CB-CE2 3.97Å; E359-F411 HydrophobicContact CB-CZ 4.14Å; E359-F411 HydrophobicContact CG-CD1 4.37Å; E359-F411 HydrophobicContact CG-CD2 3.58Å; E359-F411 HydrophobicContact CG-CE1 4.43Å; E359-F411 HydrophobicContact CG-CE2 3.67Å; E359-F411 HydrophobicContact CG-CG 3.96Å; E359-F411 HydrophobicContact CG-CZ 4.1Å; E359-N412 VanDerWaalsContact CD-O 3.27Å; E359-N412 PolarHBondContact OE1-N 2.88Å; E359-R415 WeakPolarHBondContact OE1-CD 3.33Å; E359-R415 IonicContact OE1-NE 3.24Å; E359-R415 PolarHBondContact OE1-NE 2.89Å; E359-R415 VanDerWaalsContact OE1-NE 3.12Å; E359-R415 WeakPolarHBondContact OE2-CD 3.26Å; E359-R415 IonicContact OE2-NE 2.7Å; E359-F416 HydrophobicContact CB-CD2 4.27Å; E359-F416 HydrophobicContact CB-CE2 4.23Å; E359-F416 WeakPolarHBondContact OE2-CE2 3.36Å
360	S	98.9	Very high	98.8	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-59.6	-45.7	171.1	-179.3	0	0	0	0	111.4	T314 V356 L357 K358 R362 L363 Y364	T314-S360 WeakPolarHBondContact OG1-CB 3.3Å; T314-S360 PolarHBondContact OG1-OG 3.34Å; V356-S360 WeakPolarHBondContact O-CB 3.38Å; V356-S360 PolarHBondContact O-N 3.37Å; L357-S360 PolarHBondContact O-N 3.41Å; K358-S360 VanDerWaalsContact C-N 3.32Å; S360-R362 VanDerWaalsContact C-N 3.29Å; S360-R362 PolarHBondContact O-N 2.95Å; S360-L363 PolarHBondContact O-N 2.86Å; S360-Y364 WeakPolarHBondContact O-CA 3.2Å; S360-Y364 VanDerWaalsContact O-CB 3.32Å; S360-Y364 WeakPolarHBondContact O-CB 3.24Å; S360-Y364 PolarHBondContact O-N 2.95Å
361	L	98.9	Very high	98.8	Very high	11 Å²	11	19.1 Å²	19.1	6%	0.058	11%	0.108	C	C	.	.	H	α-helix	trans	-68.2	-23.1	174.2	-74	172.7	0	0	0	114.2	H310 L357 K358 E359 P365 Y427 P429 F430	H310-L361 HydrophobicContact CB-CD2 4.29Å; L357-L361 WeakPolarHBondContact O-CG 3Å; L357-L361 PolarHBondContact O-N 2.8Å; K358-L361 PolarHBondContact O-N 2.96Å; E359-L361 PolarHBondContact O-N 3.31Å; L361-P365 WeakPolarHBondContact O-CB 3.3Å; L361-P365 WeakPolarHBondContact O-CD 3.47Å; L361-Y427 HydrophobicContact CB-CE2 4.26Å; L361-P429 HydrophobicContact CB-CB 3.81Å; L361-P429 HydrophobicContact CB-CG 3.88Å; L361-P429 HydrophobicContact CD1-CB 4.15Å; L361-P429 HydrophobicContact CD1-CG 3.95Å; L361-P429 HydrophobicContact CD2-CB 4.12Å; L361-P429 HydrophobicContact CG-CB 4.25Å; L361-P429 HydrophobicContact CG-CG 4.42Å; L361-F430 HydrophobicContact CD1-CE2 3.6Å; L361-F430 HydrophobicContact CD1-CZ 3.98Å
362	R	98.9	Very high	98.8	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-69.5	-49	176	-175.2	-168.3	64.4	80.6	-2.9	110.3	K358 E359 S360 G399 F405 P408 T410 F416 Y427	K358-R362 PolarHBondContact O-N 2.84Å; E359-R362 VanDerWaalsContact CD-NE 3.28Å; E359-R362 WeakPolarHBondContact O-CB 3.23Å; E359-R362 PolarHBondContact O-N 3.33Å; E359-R362 VanDerWaalsContact O-N 3.11Å; E359-R362 IonicContact OE1-CZ 3.65Å; E359-R362 IonicContact OE1-NE 2.66Å; E359-R362 PolarHBondContact OE1-NE 2.92Å; E359-R362 IonicContact OE1-NH2 3.97Å; E359-R362 PolarHBondContact OE1-NH2 2.81Å; E359-R362 WeakPolarHBondContact OE2-CD 3.41Å; E359-R362 IonicContact OE2-CZ 2.76Å; E359-R362 IonicContact OE2-NE 3.4Å; E359-R362 PolarHBondContact OE2-NE 3.01Å; E359-R362 IonicContact OE2-NH2 3.83Å; S360-R362 VanDerWaalsContact C-N 3.29Å; S360-R362 PolarHBondContact O-N 2.95Å; R362-G399 PolarHBondContact NH1-O 2.99Å; R362-F405 VanDerWaalsContact CD-CE1 3.5Å; R362-F405 HydrophobicContact CG-CE1 4.37Å; R362-F405 HydrophobicContact CG-CE2 4.46Å; R362-F405 HydrophobicContact CG-CZ 4.27Å; R362-P408 PolarHBondContact NH1-O 2.65Å; R362-P408 PolarHBondContact NH2-O 3Å; R362-T410 PolarHBondContact NH2-O 3.19Å; R362-T410 VanDerWaalsContact NH2-O 3.15Å; R362-F416 HydrophobicContact CB-CE2 4.48Å; R362-F416 HydrophobicContact CB-CZ 4.47Å; R362-Y427 HydrophobicContact CB-CD2 3.98Å; R362-Y427 HydrophobicContact CB-CE2 3.89Å; R362-Y427 HydrophobicContact CG-CD2 4.23Å
363	L	98.9	Very high	98.7	Very high	2 Å²	2	15.4 Å²	15.4	1%	0.01	9%	0.092	C	C	.	.	H	α-helix	trans	-79.6	-37.8	179.9	-76.6	-178.4	0	0	0	112.8	E359 S360 P365 R400 P408 F411	E359-L363 PolarHBondContact O-N 3.41Å; S360-L363 PolarHBondContact O-N 2.86Å; L363-P365 WeakPolarHBondContact O-CD 3.31Å; L363-R400 HydrophobicContact CD2-CG 4.27Å; L363-R400 PolarHBondContact O-NE 3.07Å; L363-R400 PolarHBondContact O-NH2 2.98Å; L363-P408 VanDerWaalsContact CD2-O 3.26Å; L363-P408 WeakPolarHBondContact CD2-O 3.47Å; L363-F411 HydrophobicContact CD1-CB 4.16Å; L363-F411 HydrophobicContact CD1-CD2 4.07Å
364	Y	98.9	Very high	98.7	Very high	11 Å²	11	15.4 Å²	15.4	4%	0.043	9%	0.092	C	C	.	.			trans	-125.4	54.5	-169	-49.1	-70.2	0	0	0	113.2	F313 M316 E317 R320 S360 P366 L470	F313-Y364 HydrophobicContact CB-CD2 4.24Å; F313-Y364 HydrophobicContact CB-CG 4.09Å; F313-Y364 AromaticContact CD1-CD1 3.81Å; F313-Y364 HydrophobicContact CD1-CD1 3.81Å; F313-Y364 AromaticContact CD1-CG 3.8Å; F313-Y364 HydrophobicContact CD1-CG 3.8Å; F313-Y364 HydrophobicContact CD2-CG 4.46Å; F313-Y364 AromaticContact CE1-CD1 3.91Å; F313-Y364 HydrophobicContact CE1-CD1 3.91Å; F313-Y364 HydrophobicContact CE1-CG 4.27Å; F313-Y364 VanDerWaalsContact CG-CB 3.44Å; F313-Y364 HydrophobicContact CG-CD1 4.37Å; F313-Y364 AromaticContact CG-CG 3.91Å; F313-Y364 HydrophobicContact CG-CG 3.91Å; M316-Y364 HydrophobicContact CE-CE1 4.24Å; E317-Y364 HydrophobicContact CB-CE2 4.1Å; E317-Y364 HydrophobicContact CG-CE2 4.18Å; E317-Y364 WeakPolarHBondContact OE2-CE2 3.49Å; E317-Y364 PolarHBondContact OE2-OH 3.16Å; R320-Y364 PolarHBondContact NH2-OH 3.36Å; S360-Y364 WeakPolarHBondContact O-CA 3.2Å; S360-Y364 VanDerWaalsContact O-CB 3.32Å; S360-Y364 WeakPolarHBondContact O-CB 3.24Å; S360-Y364 PolarHBondContact O-N 2.95Å; Y364-P366 WeakPolarHBondContact O-CD 3.17Å; Y364-L470 HydrophobicContact CD1-CD1 4.14Å; Y364-L470 HydrophobicContact CD1-CD2 4.3Å; Y364-L470 HydrophobicContact CD1-CG 4.46Å; Y364-L470 HydrophobicContact CE1-CD1 4.08Å
365	P	98.8	Very high	98.7	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.111	C	C	.	.			trans	-70.4	114.3	179.3	27.6	-33.5	0	0	0	111.2	L361 L363 A367 W368 T395 Y396 P429	L361-P365 WeakPolarHBondContact O-CB 3.3Å; L361-P365 WeakPolarHBondContact O-CD 3.47Å; L363-P365 WeakPolarHBondContact O-CD 3.31Å; P365-A367 VanDerWaalsContact C-N 3.33Å; P365-A367 PolarHBondContact O-N 3.43Å; P365-W368 PolarHBondContact O-N 3.43Å; P365-T395 HydrophobicContact CB-CG2 3.65Å; P365-T395 HydrophobicContact CG-CG2 3.86Å; P365-Y396 HydrophobicContact CG-CD2 4.05Å; P365-Y396 HydrophobicContact CG-CG 4.45Å; P365-P429 HydrophobicContact CB-CB 4.46Å
366	P	98.8	Very high	98.6	Very high	6 Å²	6	26.5 Å²	26.5	4%	0.039	14%	0.14	C	C	.	.	S	Bend	trans	-59.9	-45	178.3	-24.9	37.3	0	0	0	111.6	T306 N309 H310 Y364 W368 T475 L476	T306-P366 WeakPolarHBondContact O-CG 3.24Å; N309-P366 HydrophobicContact CB-CB 4.01Å; N309-P366 HydrophobicContact CB-CG 3.95Å; H310-P366 HydrophobicContact CB-CG 4.13Å; Y364-P366 WeakPolarHBondContact O-CD 3.17Å; P366-W368 PolarHBondContact O-N 2.73Å; P366-T475 CarbonylContact O-C 3.54Å; P366-T475 VanDerWaalsContact O-CA 3.28Å; P366-T475 WeakPolarHBondContact O-CA 3.39Å; P366-T475 VanDerWaalsContact O-CB 3.22Å; P366-T475 WeakPolarHBondContact O-CB 3.48Å; P366-L476 WeakPolarHBondContact CA-O 3.46Å; P366-L476 PolarHBondContact O-N 3.37Å
367	A	98.4	Very high	98.6	Very high	48 Å²	48	31.2 Å²	31.2	40%	0.397	16%	0.162	S	C	.	.	S	Bend	trans	-85.1	82.3	168.8	0	0	0	0	0	110.4	P365 G369	P365-A367 VanDerWaalsContact C-N 3.33Å; P365-A367 PolarHBondContact O-N 3.43Å; A367-G369 VanDerWaalsContact C-N 3.3Å; A367-G369 PolarHBondContact O-N 3.35Å
368	W	98.4	Very high	98.5	Very high	22 Å²	22	31.6 Å²	31.6	8%	0.083	17%	0.165	C	C	.	.			trans	-68.5	-18.1	-169.6	57.7	-96.1	0	0	0	115.8	Q61 F64 P365 P366 F371 L392 S394 T395 L476	Q61-W368 HydrophobicContact CG-CB 4.08Å; Q61-W368 HydrophobicContact CG-CD2 3.72Å; Q61-W368 HydrophobicContact CG-CE3 3.79Å; Q61-W368 HydrophobicContact CG-CG 3.83Å; Q61-W368 HydrophobicContact CG-CZ3 4.49Å; F64-W368 HydrophobicContact CE2-CZ3 4.39Å; P365-W368 PolarHBondContact O-N 3.43Å; P366-W368 PolarHBondContact O-N 2.73Å; W368-F371 HydrophobicContact CH2-CE2 4.43Å; W368-L392 HydrophobicContact CH2-CD1 4.23Å; W368-L392 HydrophobicContact CZ3-CD1 3.64Å; W368-L392 HydrophobicContact CZ3-CD2 4.09Å; W368-L392 HydrophobicContact CZ3-CG 4.48Å; W368-S394 VanDerWaalsContact O-CA 3.29Å; W368-S394 WeakPolarHBondContact O-CA 3.34Å; W368-S394 WeakPolarHBondContact O-CB 3.47Å; W368-S394 PolarHBondContact O-OG 3.46Å; W368-T395 PolarHBondContact O-N 2.93Å; W368-L476 HydrophobicContact CB-CD1 3.73Å; W368-L476 HydrophobicContact CB-CG 4.04Å; W368-L476 HydrophobicContact CG-CD1 4.43Å; W368-L476 HydrophobicContact CG-CG 4.3Å
369	G	97.6	Very high	98.5	Very high	30 Å²	30	33.1 Å²	33.1	31%	0.309	18%	0.176	S	C	.	.			trans	-173.4	173.9	-177.5	0	0	0	0	0	115.8	A367 F393	A367-G369 VanDerWaalsContact C-N 3.3Å; A367-G369 PolarHBondContact O-N 3.35Å; G369-F393 CarbonylContact C-O 3.04Å; G369-F393 WeakPolarHBondContact CA-O 3.46Å
370	T	98.7	Very high	98.5	Very high	10 Å²	10	33.3 Å²	33.3	6%	0.061	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	154.4	179.9	-172.1	0	0	0	0	111	L97 Y109 R372 F393	L97-T370 HydrophobicContact CD1-CG2 4.46Å; L97-T370 HydrophobicContact CD2-CG2 3.95Å; Y109-T370 PolarHBondContact OH-OG1 3.19Å; Y109-T370 VanDerWaalsContact OH-OG1 3.06Å; T370-R372 PolarHBondContact OG1-NH1 2.92Å; T370-F393 HydrophobicContact CG2-CB 4.18Å; T370-F393 HydrophobicContact CG2-CD2 4.46Å; T370-F393 PolarHBondContact N-O 2.98Å; T370-F393 PolarHBondContact O-N 3.3Å
371	F	98.6	Very high	98.4	Very high	26 Å²	26	36.5 Å²	36.5	11%	0.114	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	146.5	176.5	-68.6	-90.5	0	0	0	112.5	D105 M108 Y109 W368 P390 L391 L392	D105-F371 HydrophobicContact CB-CB 4.48Å; M108-F371 HydrophobicContact CB-CB 4.21Å; M108-F371 HydrophobicContact CB-CD1 4.43Å; M108-F371 HydrophobicContact CB-CD2 4.08Å; M108-F371 HydrophobicContact CB-CG 3.99Å; M108-F371 HydrophobicContact CE-CD1 4.17Å; M108-F371 HydrophobicContact CE-CD2 4.44Å; M108-F371 HydrophobicContact CE-CE1 3.57Å; M108-F371 HydrophobicContact CE-CE2 3.92Å; M108-F371 HydrophobicContact CE-CZ 3.45Å; M108-F371 VanDerWaalsContact CE-CZ 3.45Å; M108-F371 HydrophobicContact CG-CB 4.34Å; M108-F371 HydrophobicContact CG-CD1 3.91Å; M108-F371 HydrophobicContact CG-CD2 4.42Å; M108-F371 HydrophobicContact CG-CE1 4.29Å; M108-F371 HydrophobicContact CG-CG 3.97Å; Y109-F371 HydrophobicContact CE2-CB 4.13Å; W368-F371 HydrophobicContact CH2-CE2 4.43Å; F371-P390 HydrophobicContact CD1-CB 4.19Å; F371-L391 CarbonylContact C-O 3.54Å; F371-L391 WeakPolarHBondContact CA-O 3.43Å; F371-L392 HydrophobicContact CD1-CB 3.96Å; F371-L392 HydrophobicContact CD1-CD1 4.41Å; F371-L392 HydrophobicContact CD2-CD1 4.42Å; F371-L392 HydrophobicContact CE1-CB 3.53Å; F371-L392 HydrophobicContact CE1-CD1 3.96Å; F371-L392 HydrophobicContact CE1-CD2 4.42Å; F371-L392 HydrophobicContact CE1-CG 4.15Å; F371-L392 HydrophobicContact CE2-CD1 3.94Å; F371-L392 HydrophobicContact CZ-CB 4.1Å; F371-L392 HydrophobicContact CZ-CD1 3.69Å; F371-L392 HydrophobicContact CZ-CD2 4.24Å; F371-L392 HydrophobicContact CZ-CG 4.21Å
372	R	98.8	Very high	98.3	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	149.9	162.1	-64.3	-63.7	-178.2	-78.9	-7.5	110.4	L97 Y102 N103 T370 P390 L391 F393	L97-R372 HydrophobicContact CD2-CG 4.15Å; Y102-R372 WeakPolarHBondContact O-CD 3.29Å; Y102-R372 PolarHBondContact O-NE 2.82Å; N103-R372 VanDerWaalsContact C-CD 3.46Å; N103-R372 CarbonylContact O-C 3.48Å; N103-R372 WeakPolarHBondContact O-CA 3.46Å; N103-R372 VanDerWaalsContact O-CD 3.26Å; N103-R372 WeakPolarHBondContact O-CD 3.39Å; T370-R372 PolarHBondContact OG1-NH1 2.92Å; R372-P390 WeakPolarHBondContact O-CA 3.45Å; R372-L391 PolarHBondContact N-O 3.34Å; R372-L391 PolarHBondContact O-N 2.9Å; R372-F393 HydrophobicContact CB-CE2 4.11Å; R372-F393 HydrophobicContact CG-CE2 3.96Å
373	L	98.7	Very high	98.3	Very high	34 Å²	34	40.4 Å²	40.4	18%	0.178	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	123.3	168.5	178.4	61.8	0	0	0	108.7	N103 D105 E375	N103-L373 PolarHBondContact O-N 2.94Å; D105-L373 HydrophobicContact CB-CB 4.1Å; D105-L373 WeakPolarHBondContact OD2-CD1 3.45Å; L373-E375 HydrophobicContact CD2-CG 4.07Å; L373-E375 HydrophobicContact CG-CG 4.08Å
374	L	98.5	Very high	98.3	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	110.8	163.2	-177.1	70.1	0	0	0	108	F96 Y102 E376 I380 V385 G387 N388 T389 L391	F96-L374 HydrophobicContact CE1-CD1 4.1Å; Y102-L374 HydrophobicContact CE1-CD1 4.42Å; L374-E376 VanDerWaalsContact CG-O 3.22Å; L374-E376 WeakPolarHBondContact CG-O 3.46Å; L374-I380 HydrophobicContact CD2-CD1 4.18Å; L374-V385 HydrophobicContact CD2-CB 3.83Å; L374-V385 HydrophobicContact CD2-CG1 3.64Å; L374-G387 CarbonylContact O-C 3.58Å; L374-N388 CarbonylContact O-C 3.58Å; L374-N388 WeakPolarHBondContact O-CA 3.4Å; L374-N388 PolarHBondContact O-N 3.13Å; L374-T389 WeakPolarHBondContact CB-O 3.28Å; L374-T389 PolarHBondContact N-O 3.18Å; L374-T389 PolarHBondContact O-N 3.07Å; L374-L391 HydrophobicContact CB-CD1 3.99Å; L374-L391 HydrophobicContact CB-CD2 4.2Å; L374-L391 HydrophobicContact CB-CG 3.92Å; L374-L391 HydrophobicContact CD1-CD1 4.38Å; L374-L391 HydrophobicContact CD2-CD2 4.44Å
375	E	97.8	Very high	98.3	Very high	136 Å²	136	46.4 Å²	46.4	64%	0.636	25%	0.254	S	S	*	.			trans	-79	-45.4	-173.7	-64.2	-176.7	166	0	0	112.2	L373 G387 N388	L373-E375 HydrophobicContact CD2-CG 4.07Å; L373-E375 HydrophobicContact CG-CG 4.08Å; E375-G387 CarbonylContact O-C 3.59Å; E375-G387 VanDerWaalsContact O-CA 3.3Å; E375-G387 WeakPolarHBondContact O-CA 3.49Å; E375-N388 PolarHBondContact O-N 2.62Å; E375-N388 VanDerWaalsContact O-N 3.1Å
376	E	97.3	Very high	98.2	Very high	136 Å²	136	46.7 Å²	46.7	64%	0.636	26%	0.255	S	S	*	.	S	Bend	trans	-107.3	157.4	-179.6	64	-175.9	176.6	0	0	112.3	L374 T378 G387	L374-E376 VanDerWaalsContact CG-O 3.22Å; L374-E376 WeakPolarHBondContact CG-O 3.46Å; E376-T378 PolarHBondContact O-N 2.94Å; E376-T378 PolarHBondContact O-OG1 3.06Å; E376-G387 VanDerWaalsContact C-CA 3.42Å
377	E	98.3	Very high	98.2	Very high	100 Å²	100	46.9 Å²	46.9	47%	0.467	26%	0.259	S	S	.	.			trans	-60.2	134.6	172.5	-178.6	-180	107.7	0	0	110.4	R384 V385	E377-R384 VanDerWaalsContact CD-CG 3.49Å; E377-R384 HydrophobicContact CG-CG 3.76Å; E377-R384 WeakPolarHBondContact OE1-CD 3.39Å; E377-R384 WeakPolarHBondContact OE1-CG 3.31Å; E377-R384 IonicContact OE1-CZ 2.68Å; E377-R384 IonicContact OE1-NE 3.16Å; E377-R384 IonicContact OE1-NH1 3.25Å; E377-R384 PolarHBondContact OE1-NH1 2.79Å; E377-V385 VanDerWaalsContact CA-O 3.32Å; E377-V385 WeakPolarHBondContact CA-O 3.43Å; E377-V385 WeakPolarHBondContact CG-O 3.43Å
378	T	98.5	Very high	98.1	Very high	18 Å²	18	48.6 Å²	48.6	11%	0.11	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	140.4	-176.3	-64.8	0	0	0	0	110.8	E376 I380 V385	E376-T378 PolarHBondContact O-N 2.94Å; E376-T378 PolarHBondContact O-OG1 3.06Å; T378-I380 HydrophobicContact CG2-CG1 3.91Å; T378-I380 PolarHBondContact O-N 2.71Å; T378-V385 PolarHBondContact N-O 3.29Å; T378-V385 PolarHBondContact O-N 2.96Å
379	L	98.4	Very high	98.1	Very high	106 Å²	106	47.5 Å²	47.5	56%	0.555	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.8	117.9	167.7	-164	72.7	0	0	0	109.3	R384	L379-R384 HydrophobicContact CD1-CB 4.37Å
380	I	98.6	Very high	98.1	Very high	3 Å²	3	46.7 Å²	46.7	2%	0.015	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	115.8	-179	-53.8	-177.6	0	0	0	107.2	V74 I87 S92 F96 L374 T378 G382 V383 V385 L391	V74-I380 HydrophobicContact CG2-CB 4.36Å; V74-I380 HydrophobicContact CG2-CG2 3.91Å; I87-I380 HydrophobicContact CD1-CD1 4.47Å; I87-I380 HydrophobicContact CD1-CG2 4.07Å; S92-I380 WeakPolarHBondContact OG-CG2 3.36Å; F96-I380 HydrophobicContact CE1-CD1 4.49Å; F96-I380 HydrophobicContact CE2-CD1 3.78Å; F96-I380 HydrophobicContact CE2-CG1 4.16Å; F96-I380 HydrophobicContact CE2-CG2 4.07Å; F96-I380 HydrophobicContact CZ-CD1 3.51Å; F96-I380 HydrophobicContact CZ-CG1 3.85Å; L374-I380 HydrophobicContact CD2-CD1 4.18Å; T378-I380 HydrophobicContact CG2-CG1 3.91Å; T378-I380 PolarHBondContact O-N 2.71Å; I380-G382 PolarHBondContact O-N 3.25Å; I380-G382 VanDerWaalsContact O-N 3.14Å; I380-V383 PolarHBondContact N-O 2.86Å; I380-V383 WeakPolarHBondContact O-CA 3.13Å; I380-V383 WeakPolarHBondContact O-CB 3.48Å; I380-V383 PolarHBondContact O-N 3.02Å; I380-V385 HydrophobicContact CB-CG2 4.2Å; I380-V385 HydrophobicContact CD1-CB 4.05Å; I380-V385 HydrophobicContact CD1-CG2 3.88Å; I380-V385 HydrophobicContact CG1-CB 4.47Å; I380-V385 HydrophobicContact CG1-CG2 4.14Å; I380-L391 HydrophobicContact CD1-CD1 4.07Å; I380-L391 HydrophobicContact CD1-CD2 4.28Å
381	D	97.4	Very high	98.2	Very high	67 Å²	67	46.3 Å²	46.3	36%	0.358	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	49	42	-179	-53.7	-76.1	0	0	0	113.1	P73 V74 S89 S92 V383	P73-D381 HydrophobicContact CG-CB 4.02Å; V74-D381 HydrophobicContact CG2-CB 3.87Å; S89-D381 VanDerWaalsContact CB-OD1 3.31Å; S89-D381 WeakPolarHBondContact CB-OD1 2.92Å; S89-D381 PolarHBondContact OG-OD1 2.67Å; S89-D381 PolarHBondContact OG-OD2 3.5Å; S92-D381 PolarHBondContact OG-OD2 2.85Å; D381-V383 VanDerWaalsContact C-N 3.27Å; D381-V383 PolarHBondContact O-N 3.26Å
382	G	97.3	Very high	98.2	Very high	65 Å²	65	45.2 Å²	45.2	67%	0.67	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.8	-3.5	-178.1	0	0	0	0	0	115.5	I380	I380-G382 PolarHBondContact O-N 3.25Å; I380-G382 VanDerWaalsContact O-N 3.14Å
383	V	98.4	Very high	98.2	Very high	29 Å²	29	45.2 Å²	45.2	18%	0.176	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	125.9	179.8	-177.2	0	0	0	0	110.6	I33 V74 I380 D381 V385	I33-V383 HydrophobicContact CB-CG1 4.35Å; I33-V383 HydrophobicContact CG1-CG1 3.99Å; I33-V383 HydrophobicContact CG2-CG1 4.11Å; V74-V383 HydrophobicContact CB-CB 4.22Å; V74-V383 HydrophobicContact CB-CG2 4.17Å; V74-V383 HydrophobicContact CG1-CB 4Å; V74-V383 HydrophobicContact CG1-CG1 4Å; V74-V383 HydrophobicContact CG1-CG2 4.44Å; I380-V383 PolarHBondContact N-O 2.86Å; I380-V383 WeakPolarHBondContact O-CA 3.13Å; I380-V383 WeakPolarHBondContact O-CB 3.48Å; I380-V383 PolarHBondContact O-N 3.02Å; D381-V383 VanDerWaalsContact C-N 3.27Å; D381-V383 PolarHBondContact O-N 3.26Å; V383-V385 PolarHBondContact O-N 3.32Å
384	R	98.3	Very high	98.2	Very high	139 Å²	139	43.6 Å²	43.6	53%	0.525	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	106.9	177.7	-174.8	-179.9	-66	-81.3	-1.1	109.7	H32 E377 L379	H32-R384 PolarHBondContact NE2-O 2.6Å; E377-R384 VanDerWaalsContact CD-CG 3.49Å; E377-R384 HydrophobicContact CG-CG 3.76Å; E377-R384 WeakPolarHBondContact OE1-CD 3.39Å; E377-R384 WeakPolarHBondContact OE1-CG 3.31Å; E377-R384 IonicContact OE1-CZ 2.68Å; E377-R384 IonicContact OE1-NE 3.16Å; E377-R384 IonicContact OE1-NH1 3.25Å; E377-R384 PolarHBondContact OE1-NH1 2.79Å; L379-R384 HydrophobicContact CD1-CB 4.37Å
385	V	98.6	Very high	98.2	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	119.3	178.4	-175.2	0	0	0	0	109.2	I33 V74 V85 L374 E377 T378 I380 V383 T389 L391	I33-V385 HydrophobicContact CD1-CG1 4.47Å; I33-V385 HydrophobicContact CD1-CG2 4.34Å; V74-V385 HydrophobicContact CG1-CG2 3.93Å; V85-V385 HydrophobicContact CG2-CG1 4.1Å; L374-V385 HydrophobicContact CD2-CB 3.83Å; L374-V385 HydrophobicContact CD2-CG1 3.64Å; E377-V385 VanDerWaalsContact CA-O 3.32Å; E377-V385 WeakPolarHBondContact CA-O 3.43Å; E377-V385 WeakPolarHBondContact CG-O 3.43Å; T378-V385 PolarHBondContact N-O 3.29Å; T378-V385 PolarHBondContact O-N 2.96Å; I380-V385 HydrophobicContact CB-CG2 4.2Å; I380-V385 HydrophobicContact CD1-CB 4.05Å; I380-V385 HydrophobicContact CD1-CG2 3.88Å; I380-V385 HydrophobicContact CG1-CB 4.47Å; I380-V385 HydrophobicContact CG1-CG2 4.14Å; V383-V385 PolarHBondContact O-N 3.32Å; V385-T389 HydrophobicContact CG1-CG2 3.92Å; V385-L391 HydrophobicContact CG1-CD2 4.26Å
386	P	98.1	Very high	98.2	Very high	5 Å²	5	37.2 Å²	37.2	3%	0.032	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-62.6	150.7	-179.2	-22	31.9	0	0	0	113.2	R29 Y30 T389	R29-P386 WeakPolarHBondContact O-CG 3.49Å; Y30-P386 HydrophobicContact CD1-CG 3.82Å; Y30-P386 HydrophobicContact CE1-CB 4.04Å; Y30-P386 HydrophobicContact CE1-CG 3.74Å; P386-T389 VanDerWaalsContact O-CB 3.23Å; P386-T389 WeakPolarHBondContact O-CB 3.2Å; P386-T389 PolarHBondContact O-OG1 3.01Å
387	G	97.4	Very high	98.3	Very high	11 Å²	11	30.7 Å²	30.7	11%	0.113	17%	0.171	C	C	.	.	S	Bend	trans	-64.7	164.6	175.2	0	0	0	0	0	114.1	R29 L374 E375 E376 T389	R29-G387 PolarHBondContact NH2-O 2.89Å; L374-G387 CarbonylContact O-C 3.58Å; E375-G387 CarbonylContact O-C 3.59Å; E375-G387 VanDerWaalsContact O-CA 3.3Å; E375-G387 WeakPolarHBondContact O-CA 3.49Å; E376-G387 VanDerWaalsContact C-CA 3.42Å; G387-T389 VanDerWaalsContact C-N 3.32Å
388	N	97.1	Very high	98.3	Very high	83 Å²	83	26 Å²	26	44%	0.444	15%	0.148	S	C	.	.	S	Bend	trans	58.9	37.4	-170.5	-161.3	17.2	0	0	0	113.6	K107 L374 E375	K107-N388 PolarHBondContact NZ-ND2 2.89Å; K107-N388 PolarHBondContact NZ-OD1 2.91Å; L374-N388 CarbonylContact O-C 3.58Å; L374-N388 WeakPolarHBondContact O-CA 3.4Å; L374-N388 PolarHBondContact O-N 3.13Å; E375-N388 PolarHBondContact O-N 2.62Å; E375-N388 VanDerWaalsContact O-N 3.1Å
389	T	98.1	Very high	98.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	127.3	-176.6	-61.9	0	0	0	0	111.2	Y30 V85 L374 V385 P386 G387 L391	Y30-T389 HydrophobicContact CE1-CG2 4.02Å; Y30-T389 VanDerWaalsContact CE1-OG1 3.25Å; Y30-T389 WeakPolarHBondContact CE1-OG1 3.45Å; Y30-T389 PolarHBondContact OH-OG1 3.12Å; V85-T389 HydrophobicContact CB-CG2 4.41Å; V85-T389 HydrophobicContact CG2-CG2 3.79Å; L374-T389 WeakPolarHBondContact CB-O 3.28Å; L374-T389 PolarHBondContact N-O 3.18Å; L374-T389 PolarHBondContact O-N 3.07Å; V385-T389 HydrophobicContact CG1-CG2 3.92Å; P386-T389 VanDerWaalsContact O-CB 3.23Å; P386-T389 WeakPolarHBondContact O-CB 3.2Å; P386-T389 PolarHBondContact O-OG1 3.01Å; G387-T389 VanDerWaalsContact C-N 3.32Å; T389-L391 PolarHBondContact O-N 3.27Å
390	P	98.3	Very high	98.4	Very high	13 Å²	13	21.3 Å²	21.3	8%	0.084	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	123.8	171	-7.4	19.2	0	0	0	110.9	T83 S84 V85 D105 M108 F371 R372	T83-P390 VanDerWaalsContact O-CD 3.32Å; T83-P390 WeakPolarHBondContact O-CD 3.45Å; S84-P390 WeakPolarHBondContact CA-O 3.37Å; S84-P390 WeakPolarHBondContact CB-O 3.31Å; V85-P390 PolarHBondContact N-O 3.3Å; D105-P390 HydrophobicContact CB-CB 4.37Å; D105-P390 WeakPolarHBondContact OD2-CB 3.49Å; D105-P390 VanDerWaalsContact OD2-CG 3.32Å; D105-P390 WeakPolarHBondContact OD2-CG 3.4Å; M108-P390 HydrophobicContact CG-CB 3.81Å; M108-P390 HydrophobicContact CG-CG 4.19Å; M108-P390 HydrophobicContact SD-CB 4.34Å; M108-P390 HydrophobicContact SD-CG 4.28Å; F371-P390 HydrophobicContact CD1-CB 4.19Å; R372-P390 WeakPolarHBondContact O-CA 3.45Å
391	L	98.8	Very high	98.4	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.005	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	124.4	171.5	-55.3	-174.7	0	0	0	109.6	V85 I87 F96 F371 R372 L374 I380 V385 T389 F393	V85-L391 HydrophobicContact CB-CD2 4.24Å; V85-L391 CarbonylContact O-C 3.58Å; V85-L391 WeakPolarHBondContact O-CA 3.47Å; I87-L391 HydrophobicContact CD1-CD2 4.31Å; I87-L391 HydrophobicContact CG1-CB 4.18Å; I87-L391 HydrophobicContact CG1-CD2 4.15Å; F96-L391 HydrophobicContact CD1-CD1 4.08Å; F96-L391 HydrophobicContact CD2-CD1 4.15Å; F96-L391 HydrophobicContact CE1-CD1 4.09Å; F96-L391 HydrophobicContact CE2-CD1 4.18Å; F96-L391 HydrophobicContact CG-CD1 4.14Å; F96-L391 HydrophobicContact CZ-CD1 4.15Å; F371-L391 CarbonylContact C-O 3.54Å; F371-L391 WeakPolarHBondContact CA-O 3.43Å; R372-L391 PolarHBondContact N-O 3.34Å; R372-L391 PolarHBondContact O-N 2.9Å; L374-L391 HydrophobicContact CB-CD1 3.99Å; L374-L391 HydrophobicContact CB-CD2 4.2Å; L374-L391 HydrophobicContact CB-CG 3.92Å; L374-L391 HydrophobicContact CD1-CD1 4.38Å; L374-L391 HydrophobicContact CD2-CD2 4.44Å; I380-L391 HydrophobicContact CD1-CD1 4.07Å; I380-L391 HydrophobicContact CD1-CD2 4.28Å; V385-L391 HydrophobicContact CG1-CD2 4.26Å; T389-L391 PolarHBondContact O-N 3.27Å; L391-F393 HydrophobicContact CB-CE2 3.75Å; L391-F393 HydrophobicContact CB-CZ 3.97Å; L391-F393 HydrophobicContact CD1-CZ 4.21Å
392	L	98.8	Very high	98.4	Very high	3 Å²	3	22.3 Å²	22.3	2%	0.016	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	126.9	174.6	171.1	58.4	0	0	0	110.3	F64 V85 I86 I87 W368 F371	F64-L392 HydrophobicContact CD2-CD2 4.08Å; F64-L392 HydrophobicContact CE2-CD2 3.93Å; V85-L392 PolarHBondContact O-N 3.43Å; I86-L392 WeakPolarHBondContact CA-O 3.35Å; I86-L392 HydrophobicContact CB-CB 4.35Å; I86-L392 HydrophobicContact CB-CD2 4.31Å; I86-L392 HydrophobicContact CB-CG 4.49Å; I86-L392 HydrophobicContact CD1-CD2 4.33Å; I86-L392 HydrophobicContact CG1-CD2 4.44Å; I86-L392 HydrophobicContact CG1-CG 4.43Å; I87-L392 PolarHBondContact N-O 3.23Å; W368-L392 HydrophobicContact CH2-CD1 4.23Å; W368-L392 HydrophobicContact CZ3-CD1 3.64Å; W368-L392 HydrophobicContact CZ3-CD2 4.09Å; W368-L392 HydrophobicContact CZ3-CG 4.48Å; F371-L392 HydrophobicContact CD1-CB 3.96Å; F371-L392 HydrophobicContact CD1-CD1 4.41Å; F371-L392 HydrophobicContact CD2-CD1 4.42Å; F371-L392 HydrophobicContact CE1-CB 3.53Å; F371-L392 HydrophobicContact CE1-CD1 3.96Å; F371-L392 HydrophobicContact CE1-CD2 4.42Å; F371-L392 HydrophobicContact CE1-CG 4.15Å; F371-L392 HydrophobicContact CE2-CD1 3.94Å; F371-L392 HydrophobicContact CZ-CB 4.1Å; F371-L392 HydrophobicContact CZ-CD1 3.69Å; F371-L392 HydrophobicContact CZ-CD2 4.24Å; F371-L392 HydrophobicContact CZ-CG 4.21Å
393	F	98.9	Very high	98.5	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	128.5	169.1	-54.8	-88.1	0	0	0	108.5	I87 V93 F96 L97 G369 T370 R372 L391 F428	I87-F393 HydrophobicContact CB-CD1 4.02Å; I87-F393 HydrophobicContact CB-CE1 3.71Å; I87-F393 HydrophobicContact CB-CZ 4.32Å; I87-F393 HydrophobicContact CG1-CE1 4.3Å; I87-F393 HydrophobicContact CG1-CZ 4.44Å; I87-F393 HydrophobicContact CG2-CD1 4.19Å; I87-F393 HydrophobicContact CG2-CE1 3.66Å; I87-F393 HydrophobicContact CG2-CZ 4.48Å; V93-F393 HydrophobicContact CG2-CD1 3.89Å; F96-F393 HydrophobicContact CB-CE1 4.02Å; F96-F393 HydrophobicContact CB-CE2 4.09Å; F96-F393 HydrophobicContact CB-CZ 3.36Å; F96-F393 HydrophobicContact CD2-CE1 4.03Å; F96-F393 AromaticContact CD2-CZ 3.74Å; F96-F393 HydrophobicContact CD2-CZ 3.74Å; F96-F393 HydrophobicContact CG-CE1 4.45Å; F96-F393 AromaticContact CG-CZ 3.82Å; F96-F393 HydrophobicContact CG-CZ 3.82Å; L97-F393 HydrophobicContact CD1-CB 4.37Å; L97-F393 HydrophobicContact CD1-CG 4.41Å; L97-F393 HydrophobicContact CD2-CD2 3.65Å; L97-F393 HydrophobicContact CD2-CE2 3.98Å; L97-F393 HydrophobicContact CD2-CG 3.98Å; L97-F393 HydrophobicContact CG-CD2 4.43Å; L97-F393 HydrophobicContact CG-CG 4.3Å; G369-F393 CarbonylContact C-O 3.04Å; G369-F393 WeakPolarHBondContact CA-O 3.46Å; T370-F393 HydrophobicContact CG2-CB 4.18Å; T370-F393 HydrophobicContact CG2-CD2 4.46Å; T370-F393 PolarHBondContact N-O 2.98Å; T370-F393 PolarHBondContact O-N 3.3Å; R372-F393 HydrophobicContact CB-CE2 4.11Å; R372-F393 HydrophobicContact CG-CE2 3.96Å; L391-F393 HydrophobicContact CB-CE2 3.75Å; L391-F393 HydrophobicContact CB-CZ 3.97Å; L391-F393 HydrophobicContact CD1-CZ 4.21Å; F393-F428 HydrophobicContact CB-CE2 4.27Å; F393-F428 HydrophobicContact CB-CZ 4.43Å
394	S	98.8	Very high	98.5	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.125	C	C	.	.			trans	-130	114.7	-176.9	-178.3	0	0	0	0	111.9	W368 Y396 V397 M398	W368-S394 VanDerWaalsContact O-CA 3.29Å; W368-S394 WeakPolarHBondContact O-CA 3.34Å; W368-S394 WeakPolarHBondContact O-CB 3.47Å; W368-S394 PolarHBondContact O-OG 3.46Å; S394-Y396 PolarHBondContact O-N 2.98Å; S394-Y396 PolarHBondContact OG-N 3.42Å; S394-V397 PolarHBondContact O-N 2.93Å; S394-V397 PolarHBondContact OG-N 3.34Å; S394-M398 PolarHBondContact O-N 3.02Å; S394-M398 VanDerWaalsContact O-N 3.14Å
395	T	98.8	Very high	98.5	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.006	10%	0.103	C	C	.	.	H	α-helix	trans	-69.8	-24.7	173.7	-169.7	0	0	0	0	111.6	P365 W368 G399 F428	P365-T395 HydrophobicContact CB-CG2 3.65Å; P365-T395 HydrophobicContact CG-CG2 3.86Å; W368-T395 PolarHBondContact O-N 2.93Å; T395-G399 WeakPolarHBondContact O-CA 3.47Å; T395-G399 PolarHBondContact O-N 3.3Å; T395-F428 HydrophobicContact CG2-CD2 4.49Å; T395-F428 VanDerWaalsContact N-CE2 3.33Å; T395-F428 PolarHBondContact OG1-N 3.04Å
396	Y	98.9	Very high	98.5	Very high	1 Å²	1	27.1 Å²	27.1	0%	0.004	14%	0.14	C	C	.	.	H	α-helix	trans	-63.2	-50	173.8	-179.4	-84.9	0	0	0	110.9	Q61 D62 P365 S394 R400 L470 L476	Q61-Y396 HydrophobicContact CB-CD1 3.43Å; Q61-Y396 VanDerWaalsContact CB-CD1 3.43Å; Q61-Y396 HydrophobicContact CB-CE1 3.63Å; Q61-Y396 HydrophobicContact CB-CG 3.93Å; Q61-Y396 HydrophobicContact CG-CD1 4.45Å; D62-Y396 PolarHBondContact OD1-OH 3.44Å; P365-Y396 HydrophobicContact CG-CD2 4.05Å; P365-Y396 HydrophobicContact CG-CG 4.45Å; S394-Y396 PolarHBondContact O-N 2.98Å; S394-Y396 PolarHBondContact OG-N 3.42Å; Y396-R400 VanDerWaalsContact CZ-NE 3.28Å; Y396-R400 WeakPolarHBondContact O-CG 3.33Å; Y396-R400 PolarHBondContact O-N 2.61Å; Y396-R400 PolarHBondContact OH-NE 2.69Å; Y396-L470 HydrophobicContact CE2-CD2 3.75Å; Y396-L476 HydrophobicContact CD2-CD1 3.32Å; Y396-L476 HydrophobicContact CE2-CD1 3.62Å; Y396-L476 HydrophobicContact CG-CD1 4.17Å
397	V	98.8	Very high	98.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-64.8	-54.1	-179.5	172	0	0	0	0	110.2	F64 L65 A68 I86 T88 S394 G399 R400 M401	F64-V397 HydrophobicContact CB-CG2 3.88Å; L65-V397 HydrophobicContact CB-CG1 4.48Å; L65-V397 HydrophobicContact CB-CG2 4.37Å; L65-V397 HydrophobicContact CD1-CG1 4.15Å; A68-V397 HydrophobicContact CB-CG1 3.73Å; I86-V397 HydrophobicContact CD1-CG1 4.41Å; I86-V397 HydrophobicContact CD1-CG2 4.06Å; T88-V397 HydrophobicContact CG2-CG1 3.81Å; S394-V397 PolarHBondContact O-N 2.93Å; S394-V397 PolarHBondContact OG-N 3.34Å; V397-G399 VanDerWaalsContact C-N 3.28Å; V397-G399 PolarHBondContact O-N 2.9Å; V397-R400 PolarHBondContact O-N 3.33Å; V397-M401 HydrophobicContact CG1-SD 3.96Å; V397-M401 WeakPolarHBondContact O-CG 3.35Å; V397-M401 PolarHBondContact O-N 3.12Å
398	M	98.9	Very high	98.6	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-63.3	-35.7	-178.1	-66.5	-178.3	75.1	0	0	112.4	T88 P90 V93 S394 R400 M401 Y404 F425 T426 F428	T88-M398 HydrophobicContact CG2-CG 4.27Å; T88-M398 WeakPolarHBondContact O-CE 3.15Å; P90-M398 HydrophobicContact CG-CE 4.25Å; V93-M398 HydrophobicContact CG2-CE 4.01Å; V93-M398 HydrophobicContact CG2-SD 3.64Å; S394-M398 PolarHBondContact O-N 3.02Å; S394-M398 VanDerWaalsContact O-N 3.14Å; M398-R400 PolarHBondContact O-N 3.47Å; M398-M401 PolarHBondContact O-N 3.28Å; M398-Y404 HydrophobicContact CB-CD2 4.08Å; M398-Y404 HydrophobicContact CB-CE2 4.35Å; M398-Y404 HydrophobicContact CE-CD2 4.22Å; M398-Y404 HydrophobicContact CE-CE2 3.84Å; M398-Y404 HydrophobicContact CG-CD2 4.4Å; M398-Y404 HydrophobicContact CG-CE2 4.16Å; M398-F425 WeakPolarHBondContact CE-O 3.43Å; M398-T426 HydrophobicContact CE-CG2 3.92Å; M398-F428 HydrophobicContact SD-CE1 3.58Å; M398-F428 VanDerWaalsContact SD-CE1 3.58Å; M398-F428 HydrophobicContact SD-CZ 3.71Å
399	G	98.8	Very high	98.6	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-61.5	-26.4	174.8	0	0	0	0	0	113.5	R362 T395 V397 F405	R362-G399 PolarHBondContact NH1-O 2.99Å; T395-G399 WeakPolarHBondContact O-CA 3.47Å; T395-G399 PolarHBondContact O-N 3.3Å; V397-G399 VanDerWaalsContact C-N 3.28Å; V397-G399 PolarHBondContact O-N 2.9Å; G399-F405 WeakPolarHBondContact O-CD2 3.23Å
400	R	98.8	Very high	98.7	Very high	26 Å²	26	35.9 Å²	35.9	10%	0.098	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	7.7	-176.3	-69.1	171.6	175.5	-102	-1.4	114	L65 L363 Y396 V397 M398	L65-R400 HydrophobicContact CD1-CB 4.04Å; L65-R400 HydrophobicContact CD2-CB 3.67Å; L363-R400 HydrophobicContact CD2-CG 4.27Å; L363-R400 PolarHBondContact O-NE 3.07Å; L363-R400 PolarHBondContact O-NH2 2.98Å; Y396-R400 VanDerWaalsContact CZ-NE 3.28Å; Y396-R400 WeakPolarHBondContact O-CG 3.33Å; Y396-R400 PolarHBondContact O-N 2.61Å; Y396-R400 PolarHBondContact OH-NE 2.69Å; V397-R400 PolarHBondContact O-N 3.33Å; M398-R400 PolarHBondContact O-N 3.47Å
401	M	98.8	Very high	98.7	Very high	9 Å²	9	35.8 Å²	35.8	4%	0.044	19%	0.185	C	C	.	.			trans	-89.8	124.9	175.3	-72.8	170	68.6	0	0	110.5	L65 A68 K69 V397 M398 T403 Y404 F405	L65-M401 HydrophobicContact CD1-CG 3.8Å; A68-M401 HydrophobicContact CB-SD 4.39Å; K69-M401 HydrophobicContact CG-CG 4.4Å; V397-M401 HydrophobicContact CG1-SD 3.96Å; V397-M401 WeakPolarHBondContact O-CG 3.35Å; V397-M401 PolarHBondContact O-N 3.12Å; M398-M401 PolarHBondContact O-N 3.28Å; M401-T403 PolarHBondContact O-N 3.4Å; M401-Y404 HydrophobicContact CB-CD2 3.85Å; M401-Y404 HydrophobicContact CB-CE2 4.31Å; M401-Y404 HydrophobicContact CE-CD2 4.3Å; M401-Y404 HydrophobicContact CE-CE2 3.61Å; M401-Y404 PolarHBondContact O-N 3.46Å; M401-Y404 HydrophobicContact SD-CD2 4.1Å; M401-Y404 HydrophobicContact SD-CE2 3.68Å; M401-F405 PolarHBondContact O-N 3.31Å
402	D	98.4	Very high	98.7	Very high	83 Å²	83	38.4 Å²	38.4	44%	0.444	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-25.1	172.7	44.5	27	0	0	0	112.7	K69 Y404 F405 P408	K69-D402 IonicContact NZ-OD1 2.8Å; K69-D402 IonicContact NZ-OD2 3.65Å; K69-D402 PolarHBondContact NZ-OD2 3.35Å; D402-Y404 PolarHBondContact O-N 2.77Å; D402-F405 WeakPolarHBondContact CA-O 3.31Å; D402-P408 HydrophobicContact CB-CG 4.09Å
403	T	98.4	Very high	98.7	Very high	97 Å²	97	38.4 Å²	38.4	60%	0.595	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-28.6	170.2	-45.9	0	0	0	0	113.2	M401	M401-T403 PolarHBondContact O-N 3.4Å
404	Y	98.6	Very high	98.7	Very high	57 Å²	57	42.2 Å²	42.2	22%	0.224	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.9	-26.4	-174.7	-56.4	-41.7	0	0	0	113.9	T88 P90 M398 M401 D402 T426	T88-Y404 VanDerWaalsContact O-CE2 3.29Å; T88-Y404 WeakPolarHBondContact O-CE2 3.34Å; T88-Y404 VanDerWaalsContact O-CZ 3.25Å; T88-Y404 PolarHBondContact O-OH 3.02Å; P90-Y404 HydrophobicContact CG-CD1 4.33Å; P90-Y404 HydrophobicContact CG-CE1 3.81Å; M398-Y404 HydrophobicContact CB-CD2 4.08Å; M398-Y404 HydrophobicContact CB-CE2 4.35Å; M398-Y404 HydrophobicContact CE-CD2 4.22Å; M398-Y404 HydrophobicContact CE-CE2 3.84Å; M398-Y404 HydrophobicContact CG-CD2 4.4Å; M398-Y404 HydrophobicContact CG-CE2 4.16Å; M401-Y404 HydrophobicContact CB-CD2 3.85Å; M401-Y404 HydrophobicContact CB-CE2 4.31Å; M401-Y404 HydrophobicContact CE-CD2 4.3Å; M401-Y404 HydrophobicContact CE-CE2 3.61Å; M401-Y404 PolarHBondContact O-N 3.46Å; M401-Y404 HydrophobicContact SD-CD2 4.1Å; M401-Y404 HydrophobicContact SD-CE2 3.68Å; D402-Y404 PolarHBondContact O-N 2.77Å; Y404-T426 HydrophobicContact CD1-CG2 3.64Å; Y404-T426 HydrophobicContact CD2-CG2 4.04Å; Y404-T426 HydrophobicContact CE1-CG2 4.29Å; Y404-T426 HydrophobicContact CG-CG2 3.52Å
405	F	98.8	Very high	98.7	Very high	14 Å²	14	44.4 Å²	44.4	6%	0.061	23%	0.228	C	C	.	.	S	Bend	trans	-135.4	113.8	179	-66.7	-84.2	0	0	0	109.1	R362 G399 M401 D402 D407 P408 P423	R362-F405 VanDerWaalsContact CD-CE1 3.5Å; R362-F405 HydrophobicContact CG-CE1 4.37Å; R362-F405 HydrophobicContact CG-CE2 4.46Å; R362-F405 HydrophobicContact CG-CZ 4.27Å; G399-F405 WeakPolarHBondContact O-CD2 3.23Å; M401-F405 PolarHBondContact O-N 3.31Å; D402-F405 WeakPolarHBondContact CA-O 3.31Å; F405-D407 PolarHBondContact O-N 3.19Å; F405-P408 HydrophobicContact CB-CB 4.27Å; F405-P408 WeakPolarHBondContact O-CB 3.49Å; F405-P408 WeakPolarHBondContact O-CD 3.5Å; F405-P423 HydrophobicContact CE1-CB 4.3Å; F405-P423 HydrophobicContact CE1-CG 4.04Å; F405-P423 HydrophobicContact CZ-CB 4Å; F405-P423 HydrophobicContact CZ-CG 4.17Å
406	E	98.4	Very high	98.7	Very high	165 Å²	165	45.6 Å²	45.6	77%	0.771	23%	0.233	S	C	*	.	S	Bend	trans	-57.4	135.5	174	-178.2	177.4	-165.5	0	0	110.9	R415	E406-R415 PolarHBondContact O-NH1 3.49Å; E406-R415 PolarHBondContact O-NH2 3.24Å
407	D	98.2	Very high	98.6	Very high	94 Å²	94	46.2 Å²	46.2	50%	0.503	24%	0.239	S	C	.	.	S	Bend	trans	43.8	65.4	-173.5	-172.5	16.5	0	0	0	112.2	F405 L409 T410 R415	F405-D407 PolarHBondContact O-N 3.19Å; D407-L409 PolarHBondContact O-N 2.84Å; D407-T410 PolarHBondContact O-N 3.13Å; D407-T410 VanDerWaalsContact O-N 3.1Å; D407-T410 PolarHBondContact OD1-OG1 3.43Å; D407-T410 WeakPolarHBondContact OD2-CB 3.45Å; D407-T410 PolarHBondContact OD2-OG1 3.21Å; D407-R415 PolarHBondContact O-NH2 3.23Å
408	P	98.5	Very high	98.5	Very high	15 Å²	15	51.3 Å²	51.3	10%	0.097	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-16.4	-160.1	26.4	-36.2	0	0	0	113.5	R362 L363 D402 F405	R362-P408 PolarHBondContact NH1-O 2.65Å; R362-P408 PolarHBondContact NH2-O 3Å; L363-P408 VanDerWaalsContact CD2-O 3.26Å; L363-P408 WeakPolarHBondContact CD2-O 3.47Å; D402-P408 HydrophobicContact CB-CG 4.09Å; F405-P408 HydrophobicContact CB-CB 4.27Å; F405-P408 WeakPolarHBondContact O-CB 3.49Å; F405-P408 WeakPolarHBondContact O-CD 3.5Å
409	L	98.5	Very high	98.4	Very high	111 Å²	111	55.4 Å²	55.4	58%	0.581	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-17.5	-179.8	-60.2	-176.5	0	0	0	112.9	D407 F411	D407-L409 PolarHBondContact O-N 2.84Å; L409-F411 PolarHBondContact O-N 3.35Å
410	T	98.8	Very high	98.3	Very high	63 Å²	63	57.1 Å²	57.1	39%	0.387	33%	0.329	S	S	.	.	S	Bend	trans	-72.8	124.5	175.6	-69.5	0	0	0	0	110.4	R362 D407 N412 R415	R362-T410 PolarHBondContact NH2-O 3.19Å; R362-T410 VanDerWaalsContact NH2-O 3.15Å; D407-T410 PolarHBondContact O-N 3.13Å; D407-T410 VanDerWaalsContact O-N 3.1Å; D407-T410 PolarHBondContact OD1-OG1 3.43Å; D407-T410 WeakPolarHBondContact OD2-CB 3.45Å; D407-T410 PolarHBondContact OD2-OG1 3.21Å; T410-N412 HydrophobicContact CG2-CB 4.42Å; T410-N412 PolarHBondContact O-N 3.5Å; T410-R415 PolarHBondContact O-NH2 2.85Å; T410-R415 VanDerWaalsContact O-NH2 3.14Å
411	F	98.9	Very high	98.2	Very high	11 Å²	11	61.5 Å²	61.5	5%	0.048	36%	0.361	C	S	.	.			trans	-75.1	101.2	173.6	-174.4	-92.1	0	0	0	109.2	E317 Q321 I324 V356 E359 L363 L409 P413	E317-F411 HydrophobicContact CG-CB 4.22Å; E317-F411 HydrophobicContact CG-CD1 4.11Å; E317-F411 HydrophobicContact CG-CD2 3.56Å; E317-F411 HydrophobicContact CG-CE1 4.38Å; E317-F411 HydrophobicContact CG-CE2 3.84Å; E317-F411 HydrophobicContact CG-CG 3.7Å; E317-F411 HydrophobicContact CG-CZ 4.25Å; Q321-F411 HydrophobicContact CG-CD1 4.27Å; I324-F411 HydrophobicContact CD1-CD1 3.52Å; I324-F411 HydrophobicContact CD1-CE1 3.7Å; V356-F411 HydrophobicContact CG1-CE1 4.36Å; V356-F411 HydrophobicContact CG1-CZ 3.98Å; E359-F411 HydrophobicContact CB-CD2 4.38Å; E359-F411 HydrophobicContact CB-CE2 3.97Å; E359-F411 HydrophobicContact CB-CZ 4.14Å; E359-F411 HydrophobicContact CG-CD1 4.37Å; E359-F411 HydrophobicContact CG-CD2 3.58Å; E359-F411 HydrophobicContact CG-CE1 4.43Å; E359-F411 HydrophobicContact CG-CE2 3.67Å; E359-F411 HydrophobicContact CG-CG 3.96Å; E359-F411 HydrophobicContact CG-CZ 4.1Å; L363-F411 HydrophobicContact CD1-CB 4.16Å; L363-F411 HydrophobicContact CD1-CD2 4.07Å; L409-F411 PolarHBondContact O-N 3.35Å; F411-P413 HydrophobicContact CD1-CG 4.37Å; F411-P413 HydrophobicContact CE1-CG 3.87Å
412	N	98.8	Very high	98.1	Very high	57 Å²	57	70.3 Å²	70.3	31%	0.305	40%	0.399	S	S	.	.			trans	-128.8	102.1	-178.5	179.5	2	0	0	0	110.8	E359 T410 D414 R415	E359-N412 VanDerWaalsContact CD-O 3.27Å; E359-N412 PolarHBondContact OE1-N 2.88Å; T410-N412 HydrophobicContact CG2-CB 4.42Å; T410-N412 PolarHBondContact O-N 3.5Å; N412-D414 PolarHBondContact O-N 3.36Å; N412-D414 WeakPolarHBondContact OD1-CB 3.3Å; N412-D414 PolarHBondContact OD1-N 2.71Å; N412-R415 HydrophobicContact CB-CG 4.21Å; N412-R415 WeakPolarHBondContact O-CB 3.45Å; N412-R415 VanDerWaalsContact O-CG 3.24Å; N412-R415 WeakPolarHBondContact O-CG 3.3Å; N412-R415 PolarHBondContact O-N 3.14Å
413	P	98.8	Very high	98	Very high	2 Å²	2	68.1 Å²	68.1	1%	0.013	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	-59.2	-29.4	176.9	-25.9	36	0	0	0	114.2	I324 Y352 Q355 V356 F411 R415 F416	I324-P413 HydrophobicContact CD1-CG 3.79Å; I324-P413 HydrophobicContact CG1-CG 4.43Å; I324-P413 HydrophobicContact CG2-CG 4.18Å; Y352-P413 HydrophobicContact CE2-CB 3.83Å; Q355-P413 HydrophobicContact CB-CB 3.99Å; V356-P413 HydrophobicContact CB-CG 4.48Å; V356-P413 HydrophobicContact CG2-CB 3.88Å; V356-P413 HydrophobicContact CG2-CG 3.61Å; F411-P413 HydrophobicContact CD1-CG 4.37Å; F411-P413 HydrophobicContact CE1-CG 3.87Å; P413-R415 PolarHBondContact O-N 3.34Å; P413-F416 PolarHBondContact O-N 2.7Å
414	D	98.6	Very high	98	Very high	80 Å²	80	71.7 Å²	71.7	43%	0.428	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-66.4	-13.8	-174.8	-60.7	-39.4	0	0	0	112.4	R327 N412 F416 G417	R327-D414 IonicContact CZ-OD1 2.88Å; R327-D414 IonicContact NH1-OD1 3.66Å; R327-D414 PolarHBondContact NH1-OD1 3Å; N412-D414 PolarHBondContact O-N 3.36Å; N412-D414 WeakPolarHBondContact OD1-CB 3.3Å; N412-D414 PolarHBondContact OD1-N 2.71Å; D414-F416 PolarHBondContact O-N 3.48Å; D414-F416 VanDerWaalsContact O-N 3.1Å; D414-G417 PolarHBondContact O-N 2.83Å
415	R	98.7	Very high	98	Very high	47 Å²	47	71.1 Å²	71.1	18%	0.177	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-54.8	-25.9	167.1	-63.6	177.8	-163.7	-75.1	4.9	113	E359 E406 D407 T410 N412 P413	E359-R415 WeakPolarHBondContact OE1-CD 3.33Å; E359-R415 IonicContact OE1-NE 3.24Å; E359-R415 PolarHBondContact OE1-NE 2.89Å; E359-R415 VanDerWaalsContact OE1-NE 3.12Å; E359-R415 WeakPolarHBondContact OE2-CD 3.26Å; E359-R415 IonicContact OE2-NE 2.7Å; E406-R415 PolarHBondContact O-NH1 3.49Å; E406-R415 PolarHBondContact O-NH2 3.24Å; D407-R415 PolarHBondContact O-NH2 3.23Å; T410-R415 PolarHBondContact O-NH2 2.85Å; T410-R415 VanDerWaalsContact O-NH2 3.14Å; N412-R415 HydrophobicContact CB-CG 4.21Å; N412-R415 WeakPolarHBondContact O-CB 3.45Å; N412-R415 VanDerWaalsContact O-CG 3.24Å; N412-R415 WeakPolarHBondContact O-CG 3.3Å; N412-R415 PolarHBondContact O-N 3.14Å; P413-R415 PolarHBondContact O-N 3.34Å
416	F	98.8	Very high	98	Very high	26 Å²	26	71 Å²	71	11%	0.114	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-109.4	12.8	178.3	-63.4	-81	0	0	0	112.9	Q355 K358 E359 R362 P413 D414 P423 Y427	Q355-F416 HydrophobicContact CB-CB 4.3Å; Q355-F416 HydrophobicContact CG-CB 4.18Å; K358-F416 HydrophobicContact CB-CB 4.35Å; K358-F416 HydrophobicContact CB-CD1 3.91Å; K358-F416 HydrophobicContact CB-CD2 3.71Å; K358-F416 HydrophobicContact CB-CE1 4.05Å; K358-F416 HydrophobicContact CB-CE2 3.88Å; K358-F416 HydrophobicContact CB-CG 3.72Å; K358-F416 HydrophobicContact CB-CZ 4.04Å; K358-F416 HydrophobicContact CD-CB 3.95Å; K358-F416 HydrophobicContact CD-CD1 3.71Å; K358-F416 HydrophobicContact CD-CE1 4.37Å; K358-F416 HydrophobicContact CD-CG 3.88Å; K358-F416 HydrophobicContact CG-CD1 4.38Å; K358-F416 HydrophobicContact CG-CG 4.47Å; E359-F416 HydrophobicContact CB-CD2 4.27Å; E359-F416 HydrophobicContact CB-CE2 4.23Å; E359-F416 WeakPolarHBondContact OE2-CE2 3.36Å; R362-F416 HydrophobicContact CB-CE2 4.48Å; R362-F416 HydrophobicContact CB-CZ 4.47Å; P413-F416 PolarHBondContact O-N 2.7Å; D414-F416 PolarHBondContact O-N 3.48Å; D414-F416 VanDerWaalsContact O-N 3.1Å; F416-P423 HydrophobicContact CE1-CG 3.84Å; F416-P423 HydrophobicContact CZ-CG 4.38Å; F416-Y427 HydrophobicContact CE1-CD1 4.04Å; F416-Y427 HydrophobicContact CE1-CD2 4.5Å; F416-Y427 AromaticContact CE1-CE1 3.96Å; F416-Y427 HydrophobicContact CE1-CE1 3.96Å; F416-Y427 HydrophobicContact CE1-CE2 4.43Å; F416-Y427 HydrophobicContact CE1-CG 4.3Å; F416-Y427 HydrophobicContact CZ-CD1 4.35Å; F416-Y427 HydrophobicContact CZ-CD2 4.01Å; F416-Y427 HydrophobicContact CZ-CE1 4.25Å; F416-Y427 AromaticContact CZ-CE2 3.9Å; F416-Y427 HydrophobicContact CZ-CE2 3.9Å; F416-Y427 HydrophobicContact CZ-CG 4.23Å
417	G	97.9	Very high	98	Very high	13 Å²	13	65 Å²	65	13%	0.134	36%	0.362	C	S	.	.	S	Bend	trans	-65.8	164.2	179.9	0	0	0	0	0	114	D414 G419 A420	D414-G417 PolarHBondContact O-N 2.83Å; G417-G419 PolarHBondContact O-N 2.96Å; G417-A420 WeakPolarHBondContact O-CB 3.34Å; G417-A420 PolarHBondContact O-N 3.45Å
418	P	96.8	Very high	98.1	Very high	107 Å²	107	61 Å²	61	70%	0.695	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	134.3	173.9	27.9	-32.6	0	0	0	110.2	A420	P418-A420 VanDerWaalsContact C-N 3.25Å; P418-A420 PolarHBondContact O-N 3.21Å
419	G	96.3	Very high	98.1	Very high	87 Å²	87	60.9 Å²	60.9	90%	0.897	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.8	-17.1	-177.2	0	0	0	0	0	115.1	G417	G417-G419 PolarHBondContact O-N 2.96Å
420	A	97.1	Very high	98.1	Very high	35 Å²	35	57.4 Å²	57.4	29%	0.289	32%	0.319	S	S	.	.	S	Bend	trans	-66	137.4	173.2	0	0	0	0	0	110.7	G417 P418 K422	G417-A420 WeakPolarHBondContact O-CB 3.34Å; G417-A420 PolarHBondContact O-N 3.45Å; P418-A420 VanDerWaalsContact C-N 3.25Å; P418-A420 PolarHBondContact O-N 3.21Å; A420-K422 PolarHBondContact O-N 3.08Å
421	P	95.8	Very high	98.1	Very high	119 Å²	119	55.6 Å²	55.6	77%	0.773	31%	0.309	S	S	*	.	P	Polyproline II helix	trans	-62.8	125.4	176.6	25.9	-32.9	0	0	0	109.8
422	K	96.3	Very high	98.1	Very high	193 Å²	193	57.1 Å²	57.1	84%	0.839	32%	0.317	S	S	*	.	P	Polyproline II helix	trans	-61.1	135.6	178.3	-68.7	179.3	-178.7	173.3	0	110	A420 R424	A420-K422 PolarHBondContact O-N 3.08Å; K422-R424 PolarHBondContact O-N 3.47Å; K422-R424 VanDerWaalsContact O-N 3.14Å
423	P	97.6	Very high	98.1	Very high	37 Å²	37	55.4 Å²	55.4	24%	0.24	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-58	120.7	177	-23.3	32.2	0	0	0	111	F405 F416 F425 T426	F405-P423 HydrophobicContact CE1-CB 4.3Å; F405-P423 HydrophobicContact CE1-CG 4.04Å; F405-P423 HydrophobicContact CZ-CB 4Å; F405-P423 HydrophobicContact CZ-CG 4.17Å; F416-P423 HydrophobicContact CE1-CG 3.84Å; F416-P423 HydrophobicContact CZ-CG 4.38Å; P423-F425 PolarHBondContact O-N 2.97Å; P423-T426 WeakPolarHBondContact CB-OG1 3.41Å
424	R	97.9	Very high	98.1	Very high	173 Å²	173	56.7 Å²	56.7	65%	0.653	32%	0.319	S	S	*	.	S	Bend	trans	-91.8	96.3	-173.9	-179.1	173	174.1	120.9	-8.7	109.8	K422 T426	K422-R424 PolarHBondContact O-N 3.47Å; K422-R424 VanDerWaalsContact O-N 3.14Å; R424-T426 PolarHBondContact O-N 3.23Å; R424-T426 VanDerWaalsContact O-N 3.14Å
425	F	98.7	Very high	98.1	Very high	45 Å²	45	53.5 Å²	53.5	20%	0.197	30%	0.301	C	S	.	.	S	Bend	trans	60.4	15.8	-179.6	-55.2	-78.4	0	0	0	115.3	P90 V93 K94 M98 M398 P423 F428 L432	P90-F425 HydrophobicContact CB-CB 4.12Å; P90-F425 WeakPolarHBondContact O-CB 3.41Å; V93-F425 HydrophobicContact CB-CB 4.13Å; V93-F425 HydrophobicContact CG1-CB 3.9Å; V93-F425 HydrophobicContact CG1-CD1 4.29Å; K94-F425 HydrophobicContact CB-CD1 3.84Å; K94-F425 HydrophobicContact CB-CD2 3.8Å; K94-F425 HydrophobicContact CB-CE1 3.82Å; K94-F425 HydrophobicContact CB-CE2 3.8Å; K94-F425 HydrophobicContact CB-CG 3.86Å; K94-F425 HydrophobicContact CB-CZ 3.81Å; K94-F425 HydrophobicContact CD-CD2 4.27Å; K94-F425 HydrophobicContact CD-CE2 3.59Å; K94-F425 HydrophobicContact CD-CZ 3.79Å; K94-F425 HydrophobicContact CG-CD1 4.39Å; K94-F425 HydrophobicContact CG-CD2 4.26Å; K94-F425 HydrophobicContact CG-CE1 3.86Å; K94-F425 HydrophobicContact CG-CE2 3.72Å; K94-F425 HydrophobicContact CG-CZ 3.5Å; K94-F425 VanDerWaalsContact CG-CZ 3.5Å; M98-F425 HydrophobicContact CG-CE1 3.79Å; M98-F425 HydrophobicContact CG-CZ 4.5Å; M98-F425 HydrophobicContact SD-CE1 4.09Å; M398-F425 WeakPolarHBondContact CE-O 3.43Å; P423-F425 PolarHBondContact O-N 2.97Å; F425-F428 WeakPolarHBondContact O-CE1 3.39Å; F425-L432 HydrophobicContact CD1-CD1 3.64Å; F425-L432 HydrophobicContact CE1-CD1 4.17Å
426	T	98.8	Very high	98.1	Very high	11 Å²	11	52.9 Å²	52.9	7%	0.067	30%	0.304	C	S	.	.	S	Bend	trans	-103.4	-4.6	176.1	51.9	0	0	0	0	113.5	P90 M398 Y404 P423 R424	P90-T426 HydrophobicContact CB-CG2 4.36Å; P90-T426 HydrophobicContact CG-CG2 3.68Å; M398-T426 HydrophobicContact CE-CG2 3.92Å; Y404-T426 HydrophobicContact CD1-CG2 3.64Å; Y404-T426 HydrophobicContact CD2-CG2 4.04Å; Y404-T426 HydrophobicContact CE1-CG2 4.29Å; Y404-T426 HydrophobicContact CG-CG2 3.52Å; P423-T426 WeakPolarHBondContact CB-OG1 3.41Å; R424-T426 PolarHBondContact O-N 3.23Å; R424-T426 VanDerWaalsContact O-N 3.14Å
427	Y	98.9	Very high	98.1	Very high	40 Å²	40	54.1 Å²	54.1	16%	0.157	32%	0.315	C	S	.	.			trans	-140.5	118.2	-180	171.9	-100	0	0	0	109.9	K358 L361 R362 F416 P429	K358-Y427 VanDerWaalsContact CA-OH 3.3Å; K358-Y427 WeakPolarHBondContact CA-OH 2.89Å; K358-Y427 WeakPolarHBondContact O-CE2 3.46Å; K358-Y427 PolarHBondContact O-OH 3.43Å; L361-Y427 HydrophobicContact CB-CE2 4.26Å; R362-Y427 HydrophobicContact CB-CD2 3.98Å; R362-Y427 HydrophobicContact CB-CE2 3.89Å; R362-Y427 HydrophobicContact CG-CD2 4.23Å; F416-Y427 HydrophobicContact CE1-CD1 4.04Å; F416-Y427 HydrophobicContact CE1-CD2 4.5Å; F416-Y427 AromaticContact CE1-CE1 3.96Å; F416-Y427 HydrophobicContact CE1-CE1 3.96Å; F416-Y427 HydrophobicContact CE1-CE2 4.43Å; F416-Y427 HydrophobicContact CE1-CG 4.3Å; F416-Y427 HydrophobicContact CZ-CD1 4.35Å; F416-Y427 HydrophobicContact CZ-CD2 4.01Å; F416-Y427 HydrophobicContact CZ-CE1 4.25Å; F416-Y427 AromaticContact CZ-CE2 3.9Å; F416-Y427 HydrophobicContact CZ-CE2 3.9Å; F416-Y427 HydrophobicContact CZ-CG 4.23Å; Y427-P429 HydrophobicContact CD2-CG 4.48Å; Y427-P429 HydrophobicContact CE1-CG 3.92Å; Y427-P429 HydrophobicContact CE2-CG 3.77Å; Y427-P429 VanDerWaalsContact CZ-CG 3.46Å; Y427-P429 WeakPolarHBondContact OH-CG 3.48Å
428	F	98.8	Very high	98.1	Very high	9 Å²	9	54.6 Å²	54.6	4%	0.039	31%	0.314	C	S	.	.			trans	-154.8	59.4	-176.8	46	-89.9	0	0	0	112.1	V93 L97 F393 T395 M398 F425 F430 S431 L432	V93-F428 HydrophobicContact CG1-CD1 4.16Å; V93-F428 HydrophobicContact CG1-CE1 3.91Å; V93-F428 HydrophobicContact CG1-CZ 4.44Å; V93-F428 HydrophobicContact CG2-CE1 4.13Å; V93-F428 HydrophobicContact CG2-CZ 4.29Å; L97-F428 HydrophobicContact CD1-CD2 4.45Å; F393-F428 HydrophobicContact CB-CE2 4.27Å; F393-F428 HydrophobicContact CB-CZ 4.43Å; T395-F428 HydrophobicContact CG2-CD2 4.49Å; T395-F428 VanDerWaalsContact N-CE2 3.33Å; T395-F428 PolarHBondContact OG1-N 3.04Å; M398-F428 HydrophobicContact SD-CE1 3.58Å; M398-F428 VanDerWaalsContact SD-CE1 3.58Å; M398-F428 HydrophobicContact SD-CZ 3.71Å; F425-F428 WeakPolarHBondContact O-CE1 3.39Å; F428-F430 PolarHBondContact O-N 3.22Å; F428-F430 VanDerWaalsContact O-N 3.14Å; F428-S431 WeakPolarHBondContact O-CA 3.33Å; F428-S431 PolarHBondContact O-N 3.41Å; F428-L432 HydrophobicContact CB-CD1 3.98Å; F428-L432 HydrophobicContact CB-CD2 4.36Å; F428-L432 HydrophobicContact CB-CG 3.72Å; F428-L432 HydrophobicContact CD1-CD1 4.44Å; F428-L432 HydrophobicContact CG-CD1 4.4Å
429	P	98.8	Very high	98.2	Very high	13 Å²	13	50.1 Å²	50.1	8%	0.084	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-20.6	179.9	28.7	-37.6	0	0	0	113.8	L361 P365 Y427	L361-P429 HydrophobicContact CB-CB 3.81Å; L361-P429 HydrophobicContact CB-CG 3.88Å; L361-P429 HydrophobicContact CD1-CB 4.15Å; L361-P429 HydrophobicContact CD1-CG 3.95Å; L361-P429 HydrophobicContact CD2-CB 4.12Å; L361-P429 HydrophobicContact CG-CB 4.25Å; L361-P429 HydrophobicContact CG-CG 4.42Å; P365-P429 HydrophobicContact CB-CB 4.46Å; Y427-P429 HydrophobicContact CD2-CG 4.48Å; Y427-P429 HydrophobicContact CE1-CG 3.92Å; Y427-P429 HydrophobicContact CE2-CG 3.77Å; Y427-P429 VanDerWaalsContact CZ-CG 3.46Å; Y427-P429 WeakPolarHBondContact OH-CG 3.48Å
430	F	98.8	Very high	98.3	Very high	38 Å²	38	48.5 Å²	48.5	17%	0.167	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	16.6	172.9	-64.2	-77	0	0	0	112.9	L361 F428 S436 C437 Q440 A443 Q444	L361-F430 HydrophobicContact CD1-CE2 3.6Å; L361-F430 HydrophobicContact CD1-CZ 3.98Å; F428-F430 PolarHBondContact O-N 3.22Å; F428-F430 VanDerWaalsContact O-N 3.14Å; F430-S436 WeakPolarHBondContact O-CA 3.06Å; F430-C437 HydrophobicContact CB-CB 3.9Å; F430-C437 HydrophobicContact CD1-CB 3.78Å; F430-C437 HydrophobicContact CG-CB 4.33Å; F430-C437 PolarHBondContact O-N 3.27Å; F430-Q440 HydrophobicContact CB-CB 4.31Å; F430-Q440 HydrophobicContact CB-CG 4.14Å; F430-Q440 HydrophobicContact CD1-CB 3.93Å; F430-Q440 HydrophobicContact CD1-CG 3.93Å; F430-Q440 HydrophobicContact CD2-CG 3.72Å; F430-Q440 HydrophobicContact CE1-CB 4.4Å; F430-Q440 HydrophobicContact CE1-CG 4.25Å; F430-Q440 HydrophobicContact CE2-CG 4.07Å; F430-Q440 HydrophobicContact CG-CB 4.02Å; F430-Q440 HydrophobicContact CG-CG 3.65Å; F430-Q440 HydrophobicContact CZ-CG 4.32Å; F430-A443 HydrophobicContact CE1-CB 4.26Å; F430-Q444 HydrophobicContact CE2-CG 4.4Å; F430-Q444 HydrophobicContact CZ-CG 4.35Å
431	S	98.8	Very high	98.4	Very high	24 Å²	24	51.3 Å²	51.3	17%	0.168	26%	0.264	C	S	.	.			trans	56.8	-169.5	-169.4	-171.1	0	0	0	0	111.8	F428	F428-S431 WeakPolarHBondContact O-CA 3.33Å; F428-S431 PolarHBondContact O-N 3.41Å
432	L	98.8	Very high	98.5	Very high	44 Å²	44	46 Å²	46	23%	0.23	23%	0.229	C	C	.	.			trans	-141.2	165.7	-177.6	-68.3	174.5	0	0	0	111.6	V93 L97 M98 F425 F428	V93-L432 HydrophobicContact CG1-CD1 4.15Å; L97-L432 HydrophobicContact CB-CB 4.03Å; L97-L432 HydrophobicContact CD1-CB 4.23Å; M98-L432 HydrophobicContact SD-CB 3.72Å; M98-L432 HydrophobicContact SD-CD1 4.41Å; M98-L432 HydrophobicContact SD-CG 4.49Å; F425-L432 HydrophobicContact CD1-CD1 3.64Å; F425-L432 HydrophobicContact CE1-CD1 4.17Å; F428-L432 HydrophobicContact CB-CD1 3.98Å; F428-L432 HydrophobicContact CB-CD2 4.36Å; F428-L432 HydrophobicContact CB-CG 3.72Å; F428-L432 HydrophobicContact CD1-CD1 4.44Å; F428-L432 HydrophobicContact CG-CD1 4.4Å
433	G	98.6	Very high	98.6	Very high	21 Å²	21	37.4 Å²	37.4	22%	0.216	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	66.3	-154.6	177.3	0	0	0	0	0	113.8	L97 R435 S436	L97-G433 WeakPolarHBondContact O-CA 3.17Å; G433-R435 PolarHBondContact O-N 2.94Å; G433-R435 VanDerWaalsContact O-N 3.16Å; G433-S436 WeakPolarHBondContact O-CB 3.46Å; G433-S436 PolarHBondContact O-N 3.39Å; G433-S436 VanDerWaalsContact O-N 3.07Å; G433-S436 PolarHBondContact O-OG 2.9Å; G433-S436 VanDerWaalsContact O-OG 3.07Å
434	H	98.6	Very high	98.7	Very high	28 Å²	28	39 Å²	39	13%	0.13	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-63	-25.5	-172.3	64.9	-61.9	0	0	0	113.7	T100 Y102 N103 Y131 W134 R138	T100-H434 HydrophobicContact CG2-CB 4.13Å; Y102-H434 PolarHBondContact O-CE1 3.05Å; N103-H434 PolarHBondContact OD1-NE2 2.96Å; Y131-H434 AromaticContact CD2-CD2 3.71Å; Y131-H434 AromaticContact CD2-NE2 3.86Å; Y131-H434 AromaticContact CE2-CD2 3.5Å; Y131-H434 VanDerWaalsContact CE2-CD2 3.5Å; Y131-H434 WeakPolarHBondContact CE2-CD2 3.36Å; Y131-H434 AromaticContact CE2-NE2 4Å; W134-H434 HydrophobicContact CH2-CB 3.82Å; W134-H434 WeakPolarHBondContact CH2-O 3.43Å; W134-H434 WeakPolarHBondContact CZ2-O 3.26Å; W134-H434 HydrophobicContact CZ3-CB 4.24Å; W134-H434 AromaticContact CZ3-CD2 3.75Å; R138-H434 PolarHBondContact NH1-O 2.94Å
435	R	98.6	Very high	98.7	Very high	14 Å²	14	31.4 Å²	31.4	5%	0.053	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-100.5	18.8	178.3	-46.9	-55.4	-62.5	-91.2	1	113.2	K104 L125 E128 W134 G433	K104-R435 VanDerWaalsContact NZ-NH2 3.12Å; L125-R435 PolarHBondContact O-NH2 2.86Å; E128-R435 PolarHBondContact O-NH1 3.27Å; E128-R435 VanDerWaalsContact O-NH1 3.16Å; E128-R435 PolarHBondContact O-NH2 2.59Å; W134-R435 VanDerWaalsContact NE1-NE 3.17Å; G433-R435 PolarHBondContact O-N 2.94Å; G433-R435 VanDerWaalsContact O-N 3.16Å
436	S	98.8	Very high	98.7	Very high	33 Å²	33	29.4 Å²	29.4	23%	0.231	16%	0.161	C	C	.	.	S	Bend	trans	-62.1	160	169.4	65.8	0	0	0	0	111.3	R138 F430 G433 I438	R138-S436 PolarHBondContact NH1-O 2.79Å; F430-S436 WeakPolarHBondContact O-CA 3.06Å; G433-S436 WeakPolarHBondContact O-CB 3.46Å; G433-S436 PolarHBondContact O-N 3.39Å; G433-S436 VanDerWaalsContact O-N 3.07Å; G433-S436 PolarHBondContact O-OG 2.9Å; G433-S436 VanDerWaalsContact O-OG 3.07Å; S436-I438 PolarHBondContact O-N 3.16Å
437	C	98.8	Very high	98.8	Very high	53 Å²	53	29 Å²	29	36%	0.358	16%	0.158	S	C	.	.			trans	-57.8	122.6	179.8	-172.3	0	0	0	0	110.8	F430 G439 Q440	F430-C437 HydrophobicContact CB-CB 3.9Å; F430-C437 HydrophobicContact CD1-CB 3.78Å; F430-C437 HydrophobicContact CG-CB 4.33Å; F430-C437 PolarHBondContact O-N 3.27Å; C437-G439 VanDerWaalsContact C-N 3.3Å; C437-G439 PolarHBondContact SG-N 2.84Å; C437-G439 VanDerWaalsContact SG-N 3.41Å; C437-Q440 HydrophobicContact CB-CB 4.37Å
438	I	98.8	Very high	98.8	Very high	22 Å²	22	27.9 Å²	27.9	11%	0.113	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-32.9	173.7	-169.6	174.5	0	0	0	111.8	L125 I141 D142 F145 F299 S436 Q440	L125-I438 HydrophobicContact CD2-CD1 3.98Å; L125-I438 HydrophobicContact CD2-CG2 4.08Å; I141-I438 HydrophobicContact CB-CD1 4.37Å; I141-I438 HydrophobicContact CG2-CD1 3.93Å; D142-I438 VanDerWaalsContact OD1-CD1 3.31Å; D142-I438 WeakPolarHBondContact OD1-CD1 3.35Å; F145-I438 HydrophobicContact CB-CG1 4.46Å; F145-I438 HydrophobicContact CD2-CD1 3.61Å; F145-I438 HydrophobicContact CD2-CG1 3.65Å; F145-I438 HydrophobicContact CE2-CD1 3.82Å; F145-I438 HydrophobicContact CE2-CG1 4Å; F145-I438 HydrophobicContact CE2-CG2 4.37Å; F145-I438 HydrophobicContact CG-CD1 4.41Å; F145-I438 HydrophobicContact CG-CG1 3.97Å; F145-I438 HydrophobicContact CZ-CG2 4.39Å; F299-I438 HydrophobicContact CE1-CG2 4.11Å; F299-I438 HydrophobicContact CZ-CG2 4.33Å; S436-I438 PolarHBondContact O-N 3.16Å; I438-Q440 VanDerWaalsContact C-N 3.35Å; I438-Q440 PolarHBondContact O-N 3.42Å
439	G	98.6	Very high	98.8	Very high	13 Å²	13	27.5 Å²	27.5	13%	0.134	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	18.4	-178.9	0	0	0	0	0	114.6	C437 Q441 F442 A443	C437-G439 VanDerWaalsContact C-N 3.3Å; C437-G439 PolarHBondContact SG-N 2.84Å; C437-G439 VanDerWaalsContact SG-N 3.41Å; G439-Q441 PolarHBondContact O-N 2.8Å; G439-F442 PolarHBondContact O-N 3.03Å; G439-A443 WeakPolarHBondContact O-CB 3.25Å; G439-A443 PolarHBondContact O-N 3.3Å
440	Q	98.8	Very high	98.8	Very high	54 Å²	54	27 Å²	27	25%	0.252	15%	0.149	S	C	.	.	H	α-helix	trans	-57.3	-49.9	-176.7	175.2	-178.1	-35.2	0	0	111.8	F430 C437 I438 A443 Q444	F430-Q440 HydrophobicContact CB-CB 4.31Å; F430-Q440 HydrophobicContact CB-CG 4.14Å; F430-Q440 HydrophobicContact CD1-CB 3.93Å; F430-Q440 HydrophobicContact CD1-CG 3.93Å; F430-Q440 HydrophobicContact CD2-CG 3.72Å; F430-Q440 HydrophobicContact CE1-CB 4.4Å; F430-Q440 HydrophobicContact CE1-CG 4.25Å; F430-Q440 HydrophobicContact CE2-CG 4.07Å; F430-Q440 HydrophobicContact CG-CB 4.02Å; F430-Q440 HydrophobicContact CG-CG 3.65Å; F430-Q440 HydrophobicContact CZ-CG 4.32Å; C437-Q440 HydrophobicContact CB-CB 4.37Å; I438-Q440 VanDerWaalsContact C-N 3.35Å; I438-Q440 PolarHBondContact O-N 3.42Å; Q440-A443 PolarHBondContact O-N 2.77Å; Q440-Q444 HydrophobicContact CG-CG 4.48Å; Q440-Q444 WeakPolarHBondContact O-CB 3.44Å; Q440-Q444 VanDerWaalsContact O-CG 3.26Å; Q440-Q444 WeakPolarHBondContact O-CG 3.43Å; Q440-Q444 PolarHBondContact O-N 3.39Å
441	Q	98.7	Very high	98.8	Very high	94 Å²	94	25.4 Å²	25.4	44%	0.439	14%	0.142	S	C	.	.	H	α-helix	trans	-69	-40.4	-177.7	-68.8	76.8	8.4	0	0	111.2	L150 G439 A443 Q444 M445	L150-Q441 HydrophobicContact CD1-CB 3.53Å; G439-Q441 PolarHBondContact O-N 2.8Å; Q441-A443 PolarHBondContact O-N 3.23Å; Q441-Q444 PolarHBondContact O-N 3.38Å; Q441-M445 WeakPolarHBondContact O-CB 3.5Å; Q441-M445 WeakPolarHBondContact O-CG 3.23Å; Q441-M445 PolarHBondContact O-N 3.33Å
442	F	98.8	Very high	98.8	Very high	8 Å²	8	24.2 Å²	24.2	4%	0.035	13%	0.134	C	C	.	.	H	α-helix	trans	-53.2	-53.9	172.3	178.8	-81.4	0	0	0	110.9	F145 L150 L153 F157 I191 A195 G439 Q444 M445 E446	F145-F442 HydrophobicContact CD1-CB 4.46Å; F145-F442 HydrophobicContact CE1-CB 4.29Å; L150-F442 HydrophobicContact CD2-CB 3.87Å; L150-F442 HydrophobicContact CD2-CD2 4.08Å; L150-F442 HydrophobicContact CD2-CG 4.49Å; L153-F442 HydrophobicContact CD1-CD2 3.8Å; L153-F442 HydrophobicContact CD1-CE2 3.71Å; F157-F442 HydrophobicContact CE1-CD2 4.3Å; F157-F442 HydrophobicContact CE1-CE1 4.27Å; F157-F442 AromaticContact CE1-CE2 3.7Å; F157-F442 HydrophobicContact CE1-CE2 3.7Å; F157-F442 AromaticContact CE1-CZ 3.68Å; F157-F442 HydrophobicContact CE1-CZ 3.68Å; F157-F442 AromaticContact CZ-CD2 3.75Å; F157-F442 HydrophobicContact CZ-CD2 3.75Å; F157-F442 HydrophobicContact CZ-CE1 4.45Å; F157-F442 AromaticContact CZ-CE2 3.6Å; F157-F442 HydrophobicContact CZ-CE2 3.6Å; F157-F442 HydrophobicContact CZ-CG 4.24Å; F157-F442 AromaticContact CZ-CZ 3.97Å; F157-F442 HydrophobicContact CZ-CZ 3.97Å; I191-F442 HydrophobicContact CG2-CZ 4.05Å; A195-F442 HydrophobicContact CB-CE2 3.95Å; A195-F442 HydrophobicContact CB-CZ 4.15Å; G439-F442 PolarHBondContact O-N 3.03Å; F442-Q444 PolarHBondContact O-N 2.84Å; F442-M445 PolarHBondContact O-N 3.2Å; F442-E446 WeakPolarHBondContact CE1-OE2 3.47Å; F442-E446 PolarHBondContact O-N 3.45Å
443	A	98.8	Very high	98.8	Very high	12 Å²	12	22.1 Å²	22.1	10%	0.099	12%	0.123	C	C	.	.	H	α-helix	trans	-63.2	-42.3	-180	0	0	0	0	0	111.9	F430 G439 Q440 Q441 M445 E446 V447	F430-A443 HydrophobicContact CE1-CB 4.26Å; G439-A443 WeakPolarHBondContact O-CB 3.25Å; G439-A443 PolarHBondContact O-N 3.3Å; Q440-A443 PolarHBondContact O-N 2.77Å; Q441-A443 PolarHBondContact O-N 3.23Å; A443-M445 VanDerWaalsContact C-N 3.27Å; A443-M445 PolarHBondContact O-N 2.75Å; A443-E446 PolarHBondContact O-N 2.84Å; A443-V447 VanDerWaalsContact O-CG1 3.31Å; A443-V447 WeakPolarHBondContact O-CG1 3.26Å; A443-V447 WeakPolarHBondContact O-CG2 3.4Å; A443-V447 PolarHBondContact O-N 3.45Å
444	Q	98.8	Very high	98.8	Very high	70 Å²	70	21.2 Å²	21.2	33%	0.327	11%	0.113	S	C	.	.	H	α-helix	trans	-63.6	-32.9	177.8	-74.6	176.5	-33.5	0	0	112.8	F430 Q440 Q441 F442 K448	F430-Q444 HydrophobicContact CE2-CG 4.4Å; F430-Q444 HydrophobicContact CZ-CG 4.35Å; Q440-Q444 HydrophobicContact CG-CG 4.48Å; Q440-Q444 WeakPolarHBondContact O-CB 3.44Å; Q440-Q444 VanDerWaalsContact O-CG 3.26Å; Q440-Q444 WeakPolarHBondContact O-CG 3.43Å; Q440-Q444 PolarHBondContact O-N 3.39Å; Q441-Q444 PolarHBondContact O-N 3.38Å; F442-Q444 PolarHBondContact O-N 2.84Å; Q444-K448 WeakPolarHBondContact O-CB 3.47Å; Q444-K448 VanDerWaalsContact O-CG 3.3Å; Q444-K448 WeakPolarHBondContact O-CG 3.28Å; Q444-K448 PolarHBondContact O-N 3.09Å
445	M	98.9	Very high	98.8	Very high	14 Å²	14	20.4 Å²	20.4	7%	0.069	11%	0.11	C	C	.	.	H	α-helix	trans	-73.1	-53.2	176	-69.9	168.1	63.3	0	0	111	L150 M154 F157 F344 L347 Q441 F442 A443 V447 K448 V449	L150-M445 HydrophobicContact CB-CE 4.11Å; L150-M445 HydrophobicContact CB-SD 3.85Å; L150-M445 HydrophobicContact CD1-SD 4.32Å; L150-M445 VanDerWaalsContact O-CE 3.29Å; L150-M445 WeakPolarHBondContact O-CE 3.49Å; M154-M445 HydrophobicContact CG-CE 4.11Å; M154-M445 HydrophobicContact SD-CE 3.58Å; M154-M445 VanDerWaalsContact SD-CE 3.58Å; F157-M445 HydrophobicContact CD2-CB 4.25Å; F157-M445 HydrophobicContact CE2-CB 3.81Å; F157-M445 HydrophobicContact CE2-CE 4.14Å; F344-M445 HydrophobicContact CD2-CE 3.57Å; F344-M445 HydrophobicContact CD2-SD 4.34Å; F344-M445 HydrophobicContact CE2-CE 3.69Å; F344-M445 HydrophobicContact CE2-SD 3.84Å; L347-M445 HydrophobicContact CD1-CB 3.99Å; L347-M445 HydrophobicContact CD1-CG 3.96Å; Q441-M445 WeakPolarHBondContact O-CB 3.5Å; Q441-M445 WeakPolarHBondContact O-CG 3.23Å; Q441-M445 PolarHBondContact O-N 3.33Å; F442-M445 PolarHBondContact O-N 3.2Å; A443-M445 VanDerWaalsContact C-N 3.27Å; A443-M445 PolarHBondContact O-N 2.75Å; M445-V447 PolarHBondContact O-N 2.83Å; M445-K448 PolarHBondContact O-N 3.36Å; M445-V449 WeakPolarHBondContact O-CG2 3.32Å; M445-V449 PolarHBondContact O-N 3.28Å
446	E	98.8	Very high	98.8	Very high	2 Å²	2	20.7 Å²	20.7	1%	0.009	11%	0.112	C	C	.	.	H	α-helix	trans	-60.9	-43.8	-176	84.6	-172.5	157.4	0	0	111.6	F157 I191 S307 F442 A443 K448 V449 V450	F157-E446 HydrophobicContact CD1-CB 3.81Å; F157-E446 HydrophobicContact CD2-CB 4.49Å; F157-E446 HydrophobicContact CE1-CB 3.76Å; F157-E446 HydrophobicContact CE2-CB 4.44Å; F157-E446 HydrophobicContact CG-CB 4.19Å; F157-E446 HydrophobicContact CZ-CB 4.09Å; I191-E446 WeakPolarHBondContact CG2-OE2 3.46Å; S307-E446 WeakPolarHBondContact CB-OE1 3.44Å; S307-E446 PolarHBondContact OG-OE1 3.38Å; F442-E446 WeakPolarHBondContact CE1-OE2 3.47Å; F442-E446 PolarHBondContact O-N 3.45Å; A443-E446 PolarHBondContact O-N 2.84Å; E446-K448 VanDerWaalsContact C-N 3.31Å; E446-K448 PolarHBondContact O-N 3.4Å; E446-V449 PolarHBondContact O-N 3.48Å; E446-V450 WeakPolarHBondContact O-CG2 3.19Å; E446-V450 PolarHBondContact O-N 2.96Å
447	V	98.9	Very high	98.8	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.012	11%	0.111	C	C	.	.	H	α-helix	trans	-70.2	-31.4	-177.6	-58	0	0	0	0	111.5	L311 L357 A443 M445 M451	L311-V447 HydrophobicContact CD1-CG1 4.18Å; L311-V447 HydrophobicContact CD2-CB 3.84Å; L311-V447 HydrophobicContact CD2-CG1 4.09Å; L311-V447 HydrophobicContact CG-CB 4.18Å; L311-V447 HydrophobicContact CG-CG1 3.85Å; L357-V447 HydrophobicContact CD1-CG2 3.97Å; L357-V447 HydrophobicContact CD2-CG2 4.25Å; A443-V447 VanDerWaalsContact O-CG1 3.31Å; A443-V447 WeakPolarHBondContact O-CG1 3.26Å; A443-V447 WeakPolarHBondContact O-CG2 3.4Å; A443-V447 PolarHBondContact O-N 3.45Å; M445-V447 PolarHBondContact O-N 2.83Å; V447-M451 VanDerWaalsContact O-CB 3.26Å; V447-M451 WeakPolarHBondContact O-CB 3.45Å; V447-M451 WeakPolarHBondContact O-CG 3.32Å; V447-M451 PolarHBondContact O-N 2.85Å
448	K	98.9	Very high	98.8	Very high	18 Å²	18	19.4 Å²	19.4	8%	0.078	10%	0.095	C	C	.	.	H	α-helix	trans	-67.7	-44.4	173.4	-83.8	-168.5	176.6	-151.9	0	111.6	L347 L350 L353 S354 L357 Q444 M445 E446 M451 A452	L347-K448 HydrophobicContact CB-CD 4.32Å; L347-K448 HydrophobicContact CD2-CB 4Å; L347-K448 PolarHBondContact O-NZ 3.48Å; L350-K448 PolarHBondContact O-NZ 3.46Å; L353-K448 HydrophobicContact CD2-CB 4.37Å; L353-K448 HydrophobicContact CD2-CG 4.19Å; L353-K448 HydrophobicContact CG-CG 4.49Å; S354-K448 WeakPolarHBondContact OG-CE 3.44Å; S354-K448 PolarHBondContact OG-NZ 3.28Å; L357-K448 HydrophobicContact CD1-CG 3.67Å; Q444-K448 WeakPolarHBondContact O-CB 3.47Å; Q444-K448 VanDerWaalsContact O-CG 3.3Å; Q444-K448 WeakPolarHBondContact O-CG 3.28Å; Q444-K448 PolarHBondContact O-N 3.09Å; M445-K448 PolarHBondContact O-N 3.36Å; E446-K448 VanDerWaalsContact C-N 3.31Å; E446-K448 PolarHBondContact O-N 3.4Å; K448-M451 PolarHBondContact O-N 3.05Å; K448-A452 WeakPolarHBondContact O-CB 3.16Å; K448-A452 PolarHBondContact O-N 3.46Å
449	V	98.9	Very high	98.8	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-60	-49.5	177.6	174.2	0	0	0	0	110.1	M154 F157 A161 L347 M445 E446 K453	M154-V449 HydrophobicContact CE-CG2 3.75Å; M154-V449 HydrophobicContact SD-CG2 4.39Å; F157-V449 HydrophobicContact CB-CB 4.18Å; F157-V449 HydrophobicContact CB-CG1 4.08Å; F157-V449 HydrophobicContact CB-CG2 4.11Å; A161-V449 HydrophobicContact CB-CG1 3.88Å; L347-V449 HydrophobicContact CD1-CG2 4.23Å; L347-V449 HydrophobicContact CD2-CG2 3.81Å; M445-V449 WeakPolarHBondContact O-CG2 3.32Å; M445-V449 PolarHBondContact O-N 3.28Å; E446-V449 PolarHBondContact O-N 3.48Å; V449-K453 HydrophobicContact CG1-CD 4.45Å; V449-K453 WeakPolarHBondContact O-CG 3.45Å; V449-K453 PolarHBondContact O-N 2.89Å; V449-K453 VanDerWaalsContact O-N 3.14Å
450	V	98.9	Very high	98.7	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.012	11%	0.108	C	C	.	.	H	α-helix	trans	-60.3	-52.4	178.4	172.9	0	0	0	0	111.2	A161 L164 L184 T187 I191 L311 E446 A452 K453 L454	A161-V450 HydrophobicContact CB-CG2 3.94Å; L164-V450 HydrophobicContact CD2-CG1 3.92Å; L184-V450 HydrophobicContact CD2-CG1 4.05Å; T187-V450 HydrophobicContact CG2-CG2 4.07Å; I191-V450 HydrophobicContact CD1-CG2 4.26Å; L311-V450 HydrophobicContact CD1-CB 4.41Å; L311-V450 HydrophobicContact CD1-CG1 4.12Å; L311-V450 HydrophobicContact CD2-CB 4.13Å; L311-V450 HydrophobicContact CD2-CG1 3.91Å; E446-V450 WeakPolarHBondContact O-CG2 3.19Å; E446-V450 PolarHBondContact O-N 2.96Å; V450-A452 PolarHBondContact O-N 3.37Å; V450-K453 PolarHBondContact O-N 2.75Å; V450-L454 HydrophobicContact CG1-CD1 3.89Å; V450-L454 HydrophobicContact CG1-CG 4.44Å; V450-L454 VanDerWaalsContact O-CG 3.32Å; V450-L454 WeakPolarHBondContact O-CG 3.32Å; V450-L454 PolarHBondContact O-N 3.29Å
451	M	98.9	Very high	98.7	Very high	5 Å²	5	29.5 Å²	29.5	3%	0.025	13%	0.129	C	C	.	.	H	α-helix	trans	-64.2	-41.4	-177.8	-71.7	-57.9	-56.8	0	0	112.8	L311 T314 V315 L318 L353 L357 V447 K448 K453 L454 L455	L311-M451 HydrophobicContact CD2-CG 3.6Å; L311-M451 HydrophobicContact CD2-SD 3.7Å; T314-M451 HydrophobicContact CG2-CE 3.78Å; T314-M451 HydrophobicContact CG2-SD 4.26Å; V315-M451 HydrophobicContact CG2-CE 4.25Å; V315-M451 HydrophobicContact CG2-SD 4.05Å; L318-M451 HydrophobicContact CD1-CE 3.83Å; L353-M451 HydrophobicContact CD1-CB 3.9Å; L353-M451 HydrophobicContact CD2-CB 4.27Å; L357-M451 HydrophobicContact CD2-CG 4.21Å; V447-M451 VanDerWaalsContact O-CB 3.26Å; V447-M451 WeakPolarHBondContact O-CB 3.45Å; V447-M451 WeakPolarHBondContact O-CG 3.32Å; V447-M451 PolarHBondContact O-N 2.85Å; K448-M451 PolarHBondContact O-N 3.05Å; M451-K453 VanDerWaalsContact C-N 3.31Å; M451-K453 PolarHBondContact O-N 2.99Å; M451-L454 PolarHBondContact O-N 3.41Å; M451-L454 HydrophobicContact SD-CD1 4.28Å; M451-L455 WeakPolarHBondContact O-CB 3.32Å; M451-L455 WeakPolarHBondContact O-CD1 3.29Å; M451-L455 WeakPolarHBondContact O-CG 3.28Å; M451-L455 PolarHBondContact O-N 2.92Å
452	A	98.9	Very high	98.6	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-60.6	-42.5	178.6	0	0	0	0	0	111.3	I336 L342 L350 L353 K448 V450 L455 Q456	I336-A452 HydrophobicContact CD1-CB 4.37Å; L342-A452 HydrophobicContact CD2-CB 3.67Å; L350-A452 HydrophobicContact CD1-CB 3.82Å; L353-A452 HydrophobicContact CD2-CB 4.25Å; K448-A452 WeakPolarHBondContact O-CB 3.16Å; K448-A452 PolarHBondContact O-N 3.46Å; V450-A452 PolarHBondContact O-N 3.37Å; A452-L455 PolarHBondContact O-N 3.39Å; A452-Q456 VanDerWaalsContact O-CB 3.27Å; A452-Q456 WeakPolarHBondContact O-CB 3.3Å; A452-Q456 PolarHBondContact O-N 3.47Å
453	K	98.9	Very high	98.6	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-67.5	-40.2	177.4	-71.9	-169.4	147.2	-63.1	0	113.3	A161 E162 V165 R340 L342 V449 V450 M451 Q456 R457	A161-K453 HydrophobicContact CB-CD 3.6Å; E162-K453 IonicContact OE2-NZ 3.41Å; E162-K453 PolarHBondContact OE2-NZ 3.02Å; V165-K453 HydrophobicContact CG2-CB 3.93Å; R340-K453 WeakPolarHBondContact O-CE 3.29Å; R340-K453 PolarHBondContact O-NZ 3.35Å; L342-K453 HydrophobicContact CD1-CD 4.43Å; L342-K453 HydrophobicContact CD1-CG 3.92Å; V449-K453 HydrophobicContact CG1-CD 4.45Å; V449-K453 WeakPolarHBondContact O-CG 3.45Å; V449-K453 PolarHBondContact O-N 2.89Å; V449-K453 VanDerWaalsContact O-N 3.14Å; V450-K453 PolarHBondContact O-N 2.75Å; M451-K453 VanDerWaalsContact C-N 3.31Å; M451-K453 PolarHBondContact O-N 2.99Å; K453-Q456 PolarHBondContact O-N 3.36Å; K453-R457 PolarHBondContact O-N 2.93Å
454	L	98.9	Very high	98.6	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-61.8	-47.3	173.8	-65.7	170.9	0	0	0	110.9	L164 V165 L168 L184 V450 M451 Q456 R457 L458 F460	L164-L454 HydrophobicContact CD2-CD1 4.48Å; L164-L454 HydrophobicContact CD2-CD2 4.02Å; L164-L454 HydrophobicContact CG-CD2 4.39Å; V165-L454 HydrophobicContact CG2-CD2 4.01Å; L168-L454 HydrophobicContact CD1-CD2 3.59Å; L184-L454 HydrophobicContact CD2-CD1 4.2Å; V450-L454 HydrophobicContact CG1-CD1 3.89Å; V450-L454 HydrophobicContact CG1-CG 4.44Å; V450-L454 VanDerWaalsContact O-CG 3.32Å; V450-L454 WeakPolarHBondContact O-CG 3.32Å; V450-L454 PolarHBondContact O-N 3.29Å; M451-L454 PolarHBondContact O-N 3.41Å; M451-L454 HydrophobicContact SD-CD1 4.28Å; L454-Q456 VanDerWaalsContact C-N 3.3Å; L454-Q456 PolarHBondContact O-N 2.86Å; L454-R457 PolarHBondContact O-N 2.81Å; L454-L458 HydrophobicContact CD2-CD1 4.23Å; L454-L458 PolarHBondContact O-N 3.41Å; L454-F460 HydrophobicContact CB-CE2 4.08Å; L454-F460 HydrophobicContact CB-CZ 3.96Å; L454-F460 HydrophobicContact CD2-CZ 3.78Å; L454-F460 HydrophobicContact CG-CZ 4.28Å
455	L	98.8	Very high	98.5	Very high	11 Å²	11	33.4 Å²	33.4	6%	0.058	18%	0.179	C	C	.	.	H	α-helix	trans	-64.9	-32.2	178.5	-71.9	163.3	0	0	0	112.9	L328 Q329 V332 L353 M451 A452 R489	L328-L455 HydrophobicContact CB-CD1 3.99Å; L328-L455 HydrophobicContact CB-CD2 4Å; L328-L455 HydrophobicContact CD1-CD1 4.24Å; L328-L455 HydrophobicContact CD1-CD2 4.19Å; L328-L455 HydrophobicContact CD2-CD1 4.27Å; L328-L455 HydrophobicContact CG-CD1 4.42Å; Q329-L455 HydrophobicContact CG-CD2 4.43Å; V332-L455 HydrophobicContact CG2-CB 4.11Å; V332-L455 HydrophobicContact CG2-CD1 4.31Å; L353-L455 HydrophobicContact CD1-CD1 4.06Å; M451-L455 WeakPolarHBondContact O-CB 3.32Å; M451-L455 WeakPolarHBondContact O-CD1 3.29Å; M451-L455 WeakPolarHBondContact O-CG 3.28Å; M451-L455 PolarHBondContact O-N 2.92Å; A452-L455 PolarHBondContact O-N 3.39Å; L455-R489 VanDerWaalsContact O-CD 3.28Å; L455-R489 WeakPolarHBondContact O-CD 3.47Å; L455-R489 PolarHBondContact O-NH1 3.08Å
456	Q	98.6	Very high	98.4	Very high	21 Å²	21	34.3 Å²	34.3	10%	0.098	18%	0.183	C	C	.	.	H	α-helix	trans	-66.5	-38.4	178	-171.2	-177.1	39	0	0	111.8	V332 G337 K339 A452 K453 L454	V332-Q456 HydrophobicContact CG1-CB 3.82Å; V332-Q456 HydrophobicContact CG1-CG 4.25Å; G337-Q456 PolarHBondContact O-NE2 3.46Å; K339-Q456 PolarHBondContact O-NE2 3.27Å; A452-Q456 VanDerWaalsContact O-CB 3.27Å; A452-Q456 WeakPolarHBondContact O-CB 3.3Å; A452-Q456 PolarHBondContact O-N 3.47Å; K453-Q456 PolarHBondContact O-N 3.36Å; L454-Q456 VanDerWaalsContact C-N 3.3Å; L454-Q456 PolarHBondContact O-N 2.86Å
457	R	98.5	Very high	98.3	Very high	57 Å²	57	38.9 Å²	38.9	22%	0.215	20%	0.2	C	C	.	.	H	α-helix	trans	-117.3	-25.1	-161.9	-63.9	-100.5	-69.7	-96.1	-0.6	114.8	E162 V165 E169 K453 L454 R489	E162-R457 IonicContact OE1-CZ 3.54Å; E162-R457 IonicContact OE1-NH1 2.8Å; E162-R457 PolarHBondContact OE1-NH1 3.08Å; E162-R457 IonicContact OE1-NH2 3.33Å; E162-R457 PolarHBondContact OE1-NH2 2.87Å; E162-R457 IonicContact OE2-NH1 3.46Å; E162-R457 PolarHBondContact OE2-NH1 3.3Å; V165-R457 HydrophobicContact CG1-CB 3.67Å; V165-R457 HydrophobicContact CG1-CG 3.93Å; E169-R457 VanDerWaalsContact CD-NH2 3.35Å; E169-R457 IonicContact OE1-CZ 3.47Å; E169-R457 IonicContact OE1-NE 2.71Å; E169-R457 PolarHBondContact OE1-NE 3.34Å; E169-R457 IonicContact OE1-NH2 3.43Å; E169-R457 PolarHBondContact OE1-NH2 3.34Å; E169-R457 IonicContact OE2-CZ 3.51Å; E169-R457 IonicContact OE2-NE 3.58Å; E169-R457 IonicContact OE2-NH2 2.68Å; E169-R457 PolarHBondContact OE2-NH2 3.26Å; K453-R457 PolarHBondContact O-N 2.93Å; L454-R457 PolarHBondContact O-N 2.81Å; R457-R489 PolarHBondContact O-N 3.15Å
458	L	98.6	Very high	98.2	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.01	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	150.3	-167.1	-68.5	164.9	0	0	0	113	V165 L168 E169 A172 L454 F460 L486 R487	V165-L458 HydrophobicContact CG1-CD1 4.2Å; L168-L458 HydrophobicContact CB-CD1 3.56Å; L168-L458 HydrophobicContact CD1-CD1 3.95Å; L168-L458 HydrophobicContact CG-CD1 4.44Å; E169-L458 HydrophobicContact CG-CD2 3.78Å; E169-L458 HydrophobicContact CG-CG 4.32Å; A172-L458 HydrophobicContact CB-CD2 4.01Å; L454-L458 HydrophobicContact CD2-CD1 4.23Å; L454-L458 PolarHBondContact O-N 3.41Å; L458-F460 HydrophobicContact CB-CE2 3.82Å; L458-F460 HydrophobicContact CB-CZ 3.73Å; L458-F460 HydrophobicContact CD1-CZ 4.14Å; L458-L486 HydrophobicContact CD1-CD2 4.21Å; L458-L486 HydrophobicContact CD2-CD2 4.49Å; L458-R487 WeakPolarHBondContact CA-O 3.31Å
459	E	98.3	Very high	98	Very high	70 Å²	70	41.4 Å²	41.4	33%	0.327	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	138.5	167	-73.2	169.8	-154.5	0	0	109.7	L486 R487 R489 G490	E459-L486 WeakPolarHBondContact O-CA 3.48Å; E459-R487 PolarHBondContact N-O 2.72Å; E459-R487 PolarHBondContact O-N 3.1Å; E459-R489 HydrophobicContact CG-CB 4.3Å; E459-R489 HydrophobicContact CG-CG 4.27Å; E459-R489 WeakPolarHBondContact OE1-CA 3.48Å; E459-G490 PolarHBondContact OE1-N 2.88Å
460	F	97.2	Very high	97.9	Very high	44 Å²	44	42 Å²	42	19%	0.193	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	135	-175.1	-55.5	-96.1	0	0	0	109.9	L168 M180 V315 L454 L458 C484 L486	L168-F460 HydrophobicContact CD1-CE1 4.44Å; M180-F460 HydrophobicContact CE-CD1 4.2Å; M180-F460 HydrophobicContact CE-CE1 3.55Å; M180-F460 HydrophobicContact CE-CZ 4.36Å; M180-F460 HydrophobicContact CG-CD1 4.43Å; M180-F460 HydrophobicContact SD-CD1 4.06Å; M180-F460 HydrophobicContact SD-CE1 3.81Å; V315-F460 HydrophobicContact CG1-CD1 4.49Å; L454-F460 HydrophobicContact CB-CE2 4.08Å; L454-F460 HydrophobicContact CB-CZ 3.96Å; L454-F460 HydrophobicContact CD2-CZ 3.78Å; L454-F460 HydrophobicContact CG-CZ 4.28Å; L458-F460 HydrophobicContact CB-CE2 3.82Å; L458-F460 HydrophobicContact CB-CZ 3.73Å; L458-F460 HydrophobicContact CD1-CZ 4.14Å; F460-C484 HydrophobicContact CB-CB 4.48Å; F460-C484 HydrophobicContact CD1-CB 4.4Å; F460-L486 HydrophobicContact CD1-CD2 3.76Å; F460-L486 HydrophobicContact CD1-CG 4.02Å; F460-L486 HydrophobicContact CE1-CD2 3.39Å; F460-L486 HydrophobicContact CE1-CG 4.18Å; F460-L486 HydrophobicContact CZ-CD2 4.24Å
461	R	98	Very high	97.7	Very high	187 Å²	187	44 Å²	44	71%	0.706	23%	0.226	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-123.5	118.6	167.8	-72.8	-176.8	173	178.8	-1.4	109.2	V463 C484 T485	R461-V463 PolarHBondContact O-N 3.47Å; R461-C484 CarbonylContact O-C 3.6Å; R461-C484 VanDerWaalsContact O-CA 3.26Å; R461-C484 WeakPolarHBondContact O-CA 3.14Å; R461-T485 PolarHBondContact N-O 2.95Å; R461-T485 PolarHBondContact O-N 2.75Å; R461-T485 PolarHBondContact O-OG1 3.05Å
462	L	98.2	Very high	97.4	Very high	32 Å²	32	45.2 Å²	45.2	17%	0.168	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	132.6	176.4	-163.2	72.1	0	0	0	109.4	Q466 F468 V482 L483	L462-Q466 HydrophobicContact CD1-CB 4Å; L462-Q466 HydrophobicContact CD1-CG 4.16Å; L462-Q466 HydrophobicContact CD2-CB 3.67Å; L462-Q466 HydrophobicContact CG-CB 3.64Å; L462-Q466 HydrophobicContact CG-CG 4.08Å; L462-F468 HydrophobicContact CD2-CE1 4.26Å; L462-F468 HydrophobicContact CD2-CE2 3.92Å; L462-F468 HydrophobicContact CD2-CZ 3.62Å; L462-V482 HydrophobicContact CD1-CG1 3.85Å; L462-L483 WeakPolarHBondContact CD1-O 3.3Å
463	V	98.5	Very high	97.1	Very high	38 Å²	38	46.1 Å²	46.1	23%	0.23	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-62.6	132.3	178.1	172.6	0	0	0	0	109	P177 R461 G465 Q466 L483 T485	P177-V463 HydrophobicContact CB-CG2 4.14Å; R461-V463 PolarHBondContact O-N 3.47Å; V463-G465 PolarHBondContact O-N 3.4Å; V463-Q466 HydrophobicContact CB-CG 4.17Å; V463-Q466 WeakPolarHBondContact O-CB 3.45Å; V463-Q466 VanDerWaalsContact O-CG 3.28Å; V463-Q466 WeakPolarHBondContact O-CG 3.29Å; V463-Q466 PolarHBondContact O-N 3.02Å; V463-Q466 VanDerWaalsContact O-N 3.16Å; V463-L483 HydrophobicContact CB-CB 4.06Å; V463-L483 WeakPolarHBondContact CB-O 3.44Å; V463-L483 HydrophobicContact CG2-CB 3.91Å; V463-L483 WeakPolarHBondContact CG2-O 3.42Å; V463-L483 PolarHBondContact N-O 2.99Å; V463-T485 HydrophobicContact CG2-CG2 4.26Å
464	P	97.8	Very high	96.7	Very high	125 Å²	125	47.4 Å²	47.4	81%	0.812	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.7	134.3	178	-28.2	35.5	0	0	0	112.4
465	G	96.4	Very high	96.6	Very high	71 Å²	71	48.2 Å²	48.2	73%	0.732	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.5	-11.2	-178.3	0	0	0	0	0	115.1	V463	V463-G465 PolarHBondContact O-N 3.4Å
466	Q	97.6	Very high	96.6	Very high	32 Å²	32	47.7 Å²	47.7	15%	0.15	25%	0.249	C	C	.	.			trans	-63.3	135.2	166.6	-69.6	-69.9	-82.8	0	0	110.9	L462 V463 L483	L462-Q466 HydrophobicContact CD1-CB 4Å; L462-Q466 HydrophobicContact CD1-CG 4.16Å; L462-Q466 HydrophobicContact CD2-CB 3.67Å; L462-Q466 HydrophobicContact CG-CB 3.64Å; L462-Q466 HydrophobicContact CG-CG 4.08Å; V463-Q466 HydrophobicContact CB-CG 4.17Å; V463-Q466 WeakPolarHBondContact O-CB 3.45Å; V463-Q466 VanDerWaalsContact O-CG 3.28Å; V463-Q466 WeakPolarHBondContact O-CG 3.29Å; V463-Q466 PolarHBondContact O-N 3.02Å; V463-Q466 VanDerWaalsContact O-N 3.16Å; Q466-L483 HydrophobicContact CG-CB 3.97Å
467	R	96.5	Very high	96.6	Very high	99 Å²	99	47.7 Å²	47.7	37%	0.374	25%	0.248	S	C	.	.			trans	-99.3	149.8	-177.3	-60.8	167.6	-69.2	171.9	0.6	111.6	E54 G469 D480	E54-R467 PolarHBondContact O-NH1 2.98Å; R467-G469 VanDerWaalsContact C-N 3.29Å; R467-G469 PolarHBondContact O-N 3.39Å; R467-D480 VanDerWaalsContact CB-OD2 3.28Å; R467-D480 WeakPolarHBondContact CB-OD2 3.21Å; R467-D480 WeakPolarHBondContact CG-OD2 3.49Å; R467-D480 IonicContact CZ-OD1 2.7Å; R467-D480 IonicContact CZ-OD2 2.84Å; R467-D480 PolarHBondContact N-OD2 3.36Å; R467-D480 IonicContact NE-OD1 2.71Å; R467-D480 IonicContact NE-OD2 3.72Å; R467-D480 PolarHBondContact NE-OD1 2.94Å; R467-D480 IonicContact NH2-OD2 3.73Å; R467-D480 PolarHBondContact NH2-OD1 3.37Å; R467-D480 PolarHBondContact NE-OD2 3.05Å; R467-D480 IonicContact NH2-OD1 3.46Å
468	F	96.6	Very high	96.6	Very high	62 Å²	62	45 Å²	45	27%	0.272	24%	0.238	S	C	.	.			trans	-90.5	10	176.7	-65.4	-97.8	0	0	0	113.3	M316 R320 L462	M316-F468 HydrophobicContact CE-CB 4.34Å; M316-F468 HydrophobicContact CE-CD1 4.18Å; M316-F468 HydrophobicContact CG-CD1 3.81Å; M316-F468 HydrophobicContact CG-CE1 4.11Å; M316-F468 WeakPolarHBondContact O-CE1 3.39Å; M316-F468 HydrophobicContact SD-CD1 4.3Å; R320-F468 HydrophobicContact CB-CE1 4.37Å; R320-F468 HydrophobicContact CB-CZ 4.21Å; R320-F468 VanDerWaalsContact CD-CE1 3.47Å; R320-F468 HydrophobicContact CG-CE1 3.76Å; R320-F468 HydrophobicContact CG-CZ 4.07Å; L462-F468 HydrophobicContact CD2-CE1 4.26Å; L462-F468 HydrophobicContact CD2-CE2 3.92Å; L462-F468 HydrophobicContact CD2-CZ 3.62Å
469	G	95.6	Very high	96.5	Very high	10 Å²	10	46.4 Å²	46.4	10%	0.103	25%	0.246	C	C	.	.			trans	-68.9	169.4	-179.5	0	0	0	0	0	112.9	R467 L479	R467-G469 VanDerWaalsContact C-N 3.29Å; R467-G469 PolarHBondContact O-N 3.39Å; G469-L479 VanDerWaalsContact O-CB 3.3Å; G469-L479 WeakPolarHBondContact O-CB 3.42Å; G469-L479 PolarHBondContact O-N 2.83Å
470	L	96	Very high	96.5	Very high	12 Å²	12	44 Å²	44	6%	0.063	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	157.8	179.2	-71.5	76.4	0	0	0	110.8	G57 V59 F313 Y364 Y396 L476	G57-L470 PolarHBondContact O-N 2.77Å; G57-L470 VanDerWaalsContact O-O 3.14Å; V59-L470 HydrophobicContact CG1-CB 3.78Å; V59-L470 WeakPolarHBondContact CG1-O 3.39Å; F313-L470 HydrophobicContact CE1-CD2 4.36Å; F313-L470 HydrophobicContact CE1-CG 3.9Å; F313-L470 HydrophobicContact CZ-CD2 4.05Å; F313-L470 HydrophobicContact CZ-CG 3.96Å; Y364-L470 HydrophobicContact CD1-CD1 4.14Å; Y364-L470 HydrophobicContact CD1-CD2 4.3Å; Y364-L470 HydrophobicContact CD1-CG 4.46Å; Y364-L470 HydrophobicContact CE1-CD1 4.08Å; Y396-L470 HydrophobicContact CE2-CD2 3.75Å; L470-L476 HydrophobicContact CD2-CB 4.4Å; L470-L476 HydrophobicContact CD2-CD1 3.99Å
471	Q	94.3	Very high	96.5	Very high	44 Å²	44	44 Å²	44	21%	0.206	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	157	163	66.8	-178.1	-55.9	0	0	110.7	L476 K477 P478 L479	Q471-L476 WeakPolarHBondContact O-CA 3.47Å; Q471-K477 PolarHBondContact N-O 3.5Å; Q471-K477 PolarHBondContact O-N 3.08Å; Q471-K477 HydrophobicContact CG-CG 3.58Å; Q471-K477 HydrophobicContact CG-CD 4.45Å; Q471-P478 PolarHBondContact NE2-O 3.35Å; Q471-L479 HydrophobicContact CB-CD1 4.06Å; Q471-L479 PolarHBondContact NE2-O 2.75Å
472	E	92.9	Very high	96.5	Very high	31 Å²	31	35.2 Å²	35.2	15%	0.145	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	118.3	173.5	-172.4	-174.2	165.4	0	0	110.1	Q61 T223 R226 T475 L476	Q61-E472 VanDerWaalsContact NE2-CD 3.34Å; Q61-E472 PolarHBondContact NE2-OE2 3.49Å; T223-E472 HydrophobicContact CG2-CG 4.45Å; T223-E472 WeakPolarHBondContact CG2-O 3.4Å; T223-E472 PolarHBondContact OG1-O 2.96Å; R226-E472 IonicContact CZ-OE1 2.68Å; R226-E472 VanDerWaalsContact NH1-CD 3.35Å; R226-E472 IonicContact NH1-OE1 3.76Å; R226-E472 PolarHBondContact NH1-OE1 3.46Å; R226-E472 IonicContact NH1-OE2 3.84Å; R226-E472 PolarHBondContact NH1-OE2 3.45Å; E472-T475 WeakPolarHBondContact CA-O 3.34Å; E472-L476 HydrophobicContact CB-CD2 4.16Å; E472-L476 HydrophobicContact CG-CD2 4.47Å
473	Q	92.3	Very high	96.6	Very high	20 Å²	20	36 Å²	36	9%	0.093	21%	0.211	C	C	.	.	S	Bend	trans	-132.4	78.6	169	-64.6	-169.3	-0.4	0	0	108.4	L219 E220 T223 T475 K477	L219-Q473 HydrophobicContact CB-CB 4.29Å; E220-Q473 HydrophobicContact CG-CG 4.27Å; T223-Q473 VanDerWaalsContact OG1-CA 3.28Å; T223-Q473 WeakPolarHBondContact OG1-CA 3.38Å; Q473-T475 PolarHBondContact N-O 3.08Å; Q473-T475 PolarHBondContact O-N 3.03Å; Q473-K477 VanDerWaalsContact CD-CE 3.42Å
474	A	91.7	Very high	96.6	Very high	26 Å²	26	34.2 Å²	34.2	22%	0.215	20%	0.2	C	C	.	.	S	Bend	trans	64.1	-46.2	-162.8	0	0	0	0	0	114	L219 I222 T223	L219-A474 HydrophobicContact CD2-CB 3.77Å; I222-A474 HydrophobicContact CB-CB 4.03Å; I222-A474 HydrophobicContact CD1-CB 3.86Å; I222-A474 HydrophobicContact CG2-CB 3.78Å; T223-A474 PolarHBondContact OG1-N 2.95Å
475	T	97.1	Very high	96.6	Very high	19 Å²	19	29.5 Å²	29.5	12%	0.117	17%	0.169	C	C	.	.	S	Bend	trans	-114.3	165.7	172.4	60.3	0	0	0	0	110.3	T306 N309 P366 E472 Q473	T306-T475 HydrophobicContact CG2-CG2 3.86Å; N309-T475 PolarHBondContact ND2-OG1 3.01Å; P366-T475 CarbonylContact O-C 3.54Å; P366-T475 VanDerWaalsContact O-CA 3.28Å; P366-T475 WeakPolarHBondContact O-CA 3.39Å; P366-T475 VanDerWaalsContact O-CB 3.22Å; P366-T475 WeakPolarHBondContact O-CB 3.48Å; E472-T475 WeakPolarHBondContact CA-O 3.34Å; Q473-T475 PolarHBondContact N-O 3.08Å; Q473-T475 PolarHBondContact O-N 3.03Å
476	L	98.3	Very high	96.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	138.7	169.3	-62.9	-178.3	0	0	0	110.1	V59 F313 P366 W368 Y396 L470 Q471 E472	V59-L476 HydrophobicContact CB-CD2 4.34Å; V59-L476 HydrophobicContact CG1-CD2 4.27Å; V59-L476 HydrophobicContact CG2-CD2 4.06Å; F313-L476 HydrophobicContact CE2-CB 4.29Å; F313-L476 WeakPolarHBondContact CE2-O 3.49Å; F313-L476 HydrophobicContact CZ-CB 4.31Å; P366-L476 WeakPolarHBondContact CA-O 3.46Å; P366-L476 PolarHBondContact O-N 3.37Å; W368-L476 HydrophobicContact CB-CD1 3.73Å; W368-L476 HydrophobicContact CB-CG 4.04Å; W368-L476 HydrophobicContact CG-CD1 4.43Å; W368-L476 HydrophobicContact CG-CG 4.3Å; Y396-L476 HydrophobicContact CD2-CD1 3.32Å; Y396-L476 HydrophobicContact CE2-CD1 3.62Å; Y396-L476 HydrophobicContact CG-CD1 4.17Å; L470-L476 HydrophobicContact CD2-CB 4.4Å; L470-L476 HydrophobicContact CD2-CD1 3.99Å; Q471-L476 WeakPolarHBondContact O-CA 3.47Å; E472-L476 HydrophobicContact CB-CD2 4.16Å; E472-L476 HydrophobicContact CG-CD2 4.47Å
477	K	98.4	Very high	96.7	Very high	20 Å²	20	28.1 Å²	28.1	9%	0.087	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	164.5	173.9	71	-173.1	-167	173.8	0	111.5	N309 F313 Q471 Q473 L479	N309-K477 HydrophobicContact CB-CB 4.08Å; N309-K477 WeakPolarHBondContact OD1-CB 3.36Å; F313-K477 VanDerWaalsContact CE1-C 3.5Å; F313-K477 VanDerWaalsContact CE2-CA 3.46Å; F313-K477 WeakPolarHBondContact CZ-O 3.32Å; Q471-K477 PolarHBondContact N-O 3.5Å; Q471-K477 PolarHBondContact O-N 3.08Å; Q471-K477 HydrophobicContact CG-CG 3.58Å; Q471-K477 HydrophobicContact CG-CD 4.45Å; Q473-K477 VanDerWaalsContact CD-CE 3.42Å; K477-L479 PolarHBondContact O-N 3.33Å
478	P	98.4	Very high	96.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.1	139.9	173.2	-29.7	37	0	0	0	112	A312 F313 M316 Q471 D480 V482	A312-P478 HydrophobicContact CB-CG 3.93Å; F313-P478 HydrophobicContact CD1-CG 3.63Å; F313-P478 HydrophobicContact CE1-CB 4.38Å; F313-P478 HydrophobicContact CE1-CG 3.79Å; F313-P478 VanDerWaalsContact CE1-N 3.32Å; F313-P478 HydrophobicContact CG-CG 4.13Å; F313-P478 HydrophobicContact CZ-CG 4.46Å; M316-P478 HydrophobicContact SD-CB 4.01Å; M316-P478 HydrophobicContact SD-CG 4.25Å; Q471-P478 PolarHBondContact NE2-O 3.35Å; P478-D480 VanDerWaalsContact CB-O 3.27Å; P478-D480 WeakPolarHBondContact CB-O 3.49Å; P478-V482 HydrophobicContact CB-CG2 3.72Å; P478-V482 HydrophobicContact CG-CG2 3.79Å
479	L	96.4	Very high	96.7	Very high	32 Å²	32	26 Å²	26	17%	0.168	14%	0.137	C	C	.	.	S	Bend	trans	-65.2	-49.6	176.5	175.6	63.4	0	0	0	110.9	G469 Q471 K477	G469-L479 VanDerWaalsContact O-CB 3.3Å; G469-L479 WeakPolarHBondContact O-CB 3.42Å; G469-L479 PolarHBondContact O-N 2.83Å; Q471-L479 HydrophobicContact CB-CD1 4.06Å; Q471-L479 PolarHBondContact NE2-O 2.75Å; K477-L479 PolarHBondContact O-N 3.33Å
480	D	97.6	Very high	96.1	Very high	20 Å²	20	28.2 Å²	28.2	11%	0.107	16%	0.16	C	C	.	.	S	Bend	trans	-95.1	156.1	174.7	-72.2	-19.5	0	0	0	110.3	R467 P478 V482	R467-D480 VanDerWaalsContact CB-OD2 3.28Å; R467-D480 WeakPolarHBondContact CB-OD2 3.21Å; R467-D480 WeakPolarHBondContact CG-OD2 3.49Å; R467-D480 IonicContact CZ-OD1 2.7Å; R467-D480 IonicContact CZ-OD2 2.84Å; R467-D480 PolarHBondContact N-OD2 3.36Å; R467-D480 IonicContact NE-OD1 2.71Å; R467-D480 IonicContact NE-OD2 3.72Å; R467-D480 PolarHBondContact NE-OD1 2.94Å; R467-D480 IonicContact NH2-OD2 3.73Å; R467-D480 PolarHBondContact NH2-OD1 3.37Å; R467-D480 PolarHBondContact NE-OD2 3.05Å; R467-D480 IonicContact NH2-OD1 3.46Å; P478-D480 VanDerWaalsContact CB-O 3.27Å; P478-D480 WeakPolarHBondContact CB-O 3.49Å; D480-V482 PolarHBondContact O-N 3.39Å
481	P	98.1	Very high	95.2	Very high	45 Å²	45	33.1 Å²	33.1	29%	0.292	18%	0.178	S	C	.	.			trans	-74.1	12.5	-170.2	25.8	-30.2	0	0	0	115.4	S179 M180 Q181 L483	S179-P481 WeakPolarHBondContact OG-CB 3.22Å; S179-P481 PolarHBondContact OG-O 3.22Å; M180-P481 PolarHBondContact N-O 2.94Å; Q181-P481 HydrophobicContact CB-CB 4.47Å; Q181-P481 VanDerWaalsContact CB-O 3.23Å; Q181-P481 WeakPolarHBondContact CB-O 3.34Å; Q181-P481 PolarHBondContact N-O 3.4Å; P481-L483 HydrophobicContact CG-CD2 4.36Å; P481-L483 HydrophobicContact CG-CG 4.07Å
482	V	98.6	Very high	93.7	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.012	21%	0.205	C	C	.	.			trans	56.7	54	-178.4	-164	0	0	0	0	110	M180 V315 M316 L462 P478 D480 C484	M180-V482 HydrophobicContact CB-CB 4.13Å; M180-V482 HydrophobicContact CB-CG1 4.07Å; M180-V482 WeakPolarHBondContact CB-O 3.33Å; M180-V482 PolarHBondContact N-O 3.35Å; V315-V482 HydrophobicContact CG1-CG1 4.3Å; M316-V482 HydrophobicContact CB-CG1 3.96Å; M316-V482 HydrophobicContact CB-CG2 4.02Å; M316-V482 HydrophobicContact CG-CG2 4.4Å; L462-V482 HydrophobicContact CD1-CG1 3.85Å; P478-V482 HydrophobicContact CB-CG2 3.72Å; P478-V482 HydrophobicContact CG-CG2 3.79Å; D480-V482 PolarHBondContact O-N 3.39Å; V482-C484 PolarHBondContact O-N 3.45Å
483	L	98.8	Very high	92.1	Very high	49 Å²	49	41.7 Å²	41.7	26%	0.257	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	119.1	174.4	-66.4	174.8	0	0	0	109.2	V178 L462 V463 Q466 P481	V178-L483 CarbonylContact O-C 3.52Å; V178-L483 WeakPolarHBondContact O-CA 3.2Å; L462-L483 WeakPolarHBondContact CD1-O 3.3Å; V463-L483 HydrophobicContact CB-CB 4.06Å; V463-L483 WeakPolarHBondContact CB-O 3.44Å; V463-L483 HydrophobicContact CG2-CB 3.91Å; V463-L483 WeakPolarHBondContact CG2-O 3.42Å; V463-L483 PolarHBondContact N-O 2.99Å; Q466-L483 HydrophobicContact CG-CB 3.97Å; P481-L483 HydrophobicContact CG-CD2 4.36Å; P481-L483 HydrophobicContact CG-CG 4.07Å
484	C	98.7	Very high	90.5	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	148.1	176.8	-68.1	0	0	0	0	110.9	V178 M180 F460 R461 V482	V178-C484 PolarHBondContact N-O 3.12Å; V178-C484 PolarHBondContact O-N 2.97Å; M180-C484 HydrophobicContact CG-CB 3.93Å; F460-C484 HydrophobicContact CB-CB 4.48Å; F460-C484 HydrophobicContact CD1-CB 4.4Å; R461-C484 CarbonylContact O-C 3.6Å; R461-C484 VanDerWaalsContact O-CA 3.26Å; R461-C484 WeakPolarHBondContact O-CA 3.14Å; V482-C484 PolarHBondContact O-N 3.45Å
485	T	98.6	Very high	88.5	Confident	26 Å²	26	50.8 Å²	50.8	16%	0.16	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	149.5	154	56.9	0	0	0	0	108.4	Q175 R461 V463	Q175-T485 WeakPolarHBondContact O-CG2 3.39Å; R461-T485 PolarHBondContact N-O 2.95Å; R461-T485 PolarHBondContact O-N 2.75Å; R461-T485 PolarHBondContact O-OG1 3.05Å; V463-T485 HydrophobicContact CG2-CG2 4.26Å
486	L	98.3	Very high	86.4	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.005	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	150.5	-174	-57.1	91.3	0	0	0	111.1	L168 A172 G174 V178 M180 L458 E459 F460	L168-L486 HydrophobicContact CB-CD2 3.91Å; L168-L486 HydrophobicContact CD1-CD2 4.17Å; L168-L486 HydrophobicContact CD2-CD2 3.95Å; L168-L486 HydrophobicContact CG-CD2 4.23Å; A172-L486 CarbonylContact C-O 3.09Å; A172-L486 VanDerWaalsContact CA-O 3.22Å; A172-L486 WeakPolarHBondContact CA-O 3.4Å; A172-L486 HydrophobicContact CB-CB 3.95Å; G174-L486 VanDerWaalsContact CA-O 3.26Å; G174-L486 WeakPolarHBondContact CA-O 3.4Å; G174-L486 PolarHBondContact N-O 3.06Å; V178-L486 HydrophobicContact CB-CD1 3.79Å; V178-L486 HydrophobicContact CG2-CD1 3.63Å; M180-L486 HydrophobicContact SD-CD2 4.45Å; L458-L486 HydrophobicContact CD1-CD2 4.21Å; L458-L486 HydrophobicContact CD2-CD2 4.49Å; E459-L486 WeakPolarHBondContact O-CA 3.48Å; F460-L486 HydrophobicContact CD1-CD2 3.76Å; F460-L486 HydrophobicContact CD1-CG 4.02Å; F460-L486 HydrophobicContact CE1-CD2 3.39Å; F460-L486 HydrophobicContact CE1-CG 4.18Å; F460-L486 HydrophobicContact CZ-CD2 4.24Å
487	R	97.6	Very high	84.4	Confident	72 Å²	72	60.6 Å²	60.6	27%	0.272	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	150.2	166.4	-73.2	-71.4	-170.3	177.7	-6.2	109	D173 L458 E459 R489 W491	D173-R487 PolarHBondContact O-NH1 3.34Å; D173-R487 PolarHBondContact O-NH2 3.1Å; D173-R487 VanDerWaalsContact O-NH2 3.11Å; L458-R487 WeakPolarHBondContact CA-O 3.31Å; E459-R487 PolarHBondContact N-O 2.72Å; E459-R487 PolarHBondContact O-N 3.1Å; R487-R489 PolarHBondContact O-N 3.37Å; R487-W491 HydrophobicContact CB-CB 4.43Å
488	P	97.6	Very high	82.5	Confident	53 Å²	53	64.9 Å²	64.9	34%	0.344	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	138	161	-20.2	33.2	0	0	0	108.9	A172 G490 W491	A172-P488 HydrophobicContact CB-CG 4.3Å; A172-P488 WeakPolarHBondContact O-CD 3.33Å; P488-G490 PolarHBondContact O-N 3.42Å; P488-W491 WeakPolarHBondContact O-CB 3.14Å; P488-W491 PolarHBondContact O-N 2.89Å
489	R	94.7	Very high	80.9	Confident	63 Å²	63	71 Å²	71	24%	0.238	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	137.1	-179.5	-179	176.9	172.7	-142.5	-13.3	110.8	Q329 D333 L455 R457 E459 R487 W491	Q329-R489 VanDerWaalsContact CD-NE 3.29Å; D333-R489 IonicContact OD1-CZ 3.46Å; D333-R489 IonicContact OD1-NH1 2.7Å; D333-R489 PolarHBondContact OD1-NH1 2.85Å; D333-R489 IonicContact OD1-NH2 3.36Å; D333-R489 PolarHBondContact OD1-NH2 3.19Å; D333-R489 IonicContact OD2-CZ 3.55Å; D333-R489 IonicContact OD2-NH1 3.58Å; D333-R489 IonicContact OD2-NH2 2.67Å; D333-R489 PolarHBondContact OD2-NH2 2.9Å; L455-R489 VanDerWaalsContact O-CD 3.28Å; L455-R489 WeakPolarHBondContact O-CD 3.47Å; L455-R489 PolarHBondContact O-NH1 3.08Å; R457-R489 PolarHBondContact O-N 3.15Å; E459-R489 HydrophobicContact CG-CB 4.3Å; E459-R489 HydrophobicContact CG-CG 4.27Å; E459-R489 WeakPolarHBondContact OE1-CA 3.48Å; R487-R489 PolarHBondContact O-N 3.37Å; R489-W491 VanDerWaalsContact C-N 3.32Å
490	G	83.1	Confident	79.3	Confident	57 Å²	57	79.2 Å²	79.2	59%	0.588	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.2	12.3	-179.4	0	0	0	0	0	114.8	E459 P488 Q492	E459-G490 PolarHBondContact OE1-N 2.88Å; P488-G490 PolarHBondContact O-N 3.42Å; G490-Q492 PolarHBondContact O-N 2.89Å
491	W	77.9	Confident	78.4	Confident	116 Å²	116	82.2 Å²	82.2	44%	0.439	49%	0.492	S	S	.	.			trans	-58.1	125.8	174.1	-179.5	86.8	0	0	0	111.3	R487 P488 R489 P493	R487-W491 HydrophobicContact CB-CB 4.43Å; P488-W491 WeakPolarHBondContact O-CB 3.14Å; P488-W491 PolarHBondContact O-N 2.89Å; R489-W491 VanDerWaalsContact C-N 3.32Å; W491-P493 VanDerWaalsContact CH2-CA 3.49Å; W491-P493 HydrophobicContact CH2-CB 3.78Å; W491-P493 HydrophobicContact CH2-CG 3.92Å; W491-P493 HydrophobicContact CZ2-CB 4.43Å; W491-P493 HydrophobicContact CZ3-CB 4.16Å; W491-P493 HydrophobicContact CZ3-CG 3.76Å
492	Q	61.8	Low	77.3	Confident	164 Å²	164	84.2 Å²	84.2	77%	0.766	50%	0.503	S	S	*	.			trans	-107.2	141.4	168.5	-66.2	-171.4	-6.9	0	0	109.4	G490 T494	G490-Q492 PolarHBondContact O-N 2.89Å; Q492-T494 PolarHBondContact O-N 2.9Å
493	P	60.1	Low	76.1	Confident	91 Å²	91	88.7 Å²	88.7	59%	0.591	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-58.9	132.1	171.2	-11.6	23.3	0	0	0	109.4	W491	W491-P493 VanDerWaalsContact CH2-CA 3.49Å; W491-P493 HydrophobicContact CH2-CB 3.78Å; W491-P493 HydrophobicContact CH2-CG 3.92Å; W491-P493 HydrophobicContact CZ2-CB 4.43Å; W491-P493 HydrophobicContact CZ3-CB 4.16Å; W491-P493 HydrophobicContact CZ3-CG 3.76Å
494	T	59	Low	74.8	Confident	129 Å²	129	91.1 Å²	91.1	79%	0.791	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-57.1	127.5	167.6	3.4	0	0	0	0	108.1	Q492	Q492-T494 PolarHBondContact O-N 2.9Å
495	P	49.8	Very low	73.3	Confident	108 Å²	108	96.8 Å²	96.8	70%	0.701	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-57.5	142.7	175.1	21.6	-30.1	0	0	0	109.1
496	P	52.3	Low	71.6	Confident	113 Å²	113	101.5 Å²	101.5	73%	0.734	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-56.1	144.5	177	23.6	-31.8	0	0	0	109.3
497	P	56	Low	69.7	Low	112 Å²	112	108.6 Å²	108.6	73%	0.727	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-54.9	144.1	174	23.3	-31.6	0	0	0	109.3
498	P	58.3	Low	67.6	Low	110 Å²	110	111.5 Å²	111.5	71%	0.714	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-55.3	142.2	176.5	22.9	-31.5	0	0	0	109.5	C500	P498-C500 PolarHBondContact O-N 2.7Å
499	P	65.1	Low	65.1	Low	128 Å²	128	116.3 Å²	116.3	83%	0.831	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-57.6	130.7	177.6	23.1	-31	0	0	0	109.6
500	C	62.8	Low	62.4	Low	205 Å²	205	121.2 Å²	121.2	100%	1.385	75%	0.752	S	S	*	*			trans	-61.4	0	175.4	-69.5	0	0	0	0	112.4	P498	P498-C500 PolarHBondContact O-N 2.7Å

Retrieved 500 of 500 residues in 1534.9 ms (Link to these results)

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