A0A5K4FCZ0_SCHMA Loading...

Protein farnesyltransferase subunit beta

Catalyzes the transfer of a farnesyl moiety from farnesyl diphosphate to a cysteine at the fourth position from the C-terminus of several proteins. The beta subunit is responsible for peptide-binding.

AlphaFold DB , UniProt , Accession A0A5K4FCZ0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 508 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	53.9	Low	78.7	Confident	152 Å²	152	84.5 Å²	84.5	75%	0.749	40%	0.396	S	S	*	.				0	132.9	0	-173.9	179.7	-70.4	0	0	106.7	R3 T5 L6 L9	M1-R3 PolarHBondContact O-N 2.68Å; M1-T5 HydrophobicContact CG-CG2 3.8Å; M1-T5 HydrophobicContact SD-CG2 3.83Å; M1-L6 HydrophobicContact CB-CD1 4.49Å; M1-L6 HydrophobicContact CB-CD2 4.41Å; M1-L6 HydrophobicContact CB-CG 4.15Å; M1-L6 HydrophobicContact CG-CD2 4.29Å; M1-L6 HydrophobicContact CG-CG 4Å; M1-L6 HydrophobicContact SD-CD2 3.37Å; M1-L6 WeakPolarHBondContact SD-CD2 3.5Å; M1-L6 HydrophobicContact SD-CG 3.64Å; M1-L9 HydrophobicContact CE-CD1 3.73Å; M1-L9 HydrophobicContact SD-CD1 3.41Å; M1-L9 WeakPolarHBondContact SD-CD1 3.5Å
2	E	77.2	Confident	78.8	Confident	149 Å²	149	81.3 Å²	81.3	70%	0.696	40%	0.395	S	S	*	.			trans	-60.4	139.1	178.4	-68.4	-176.9	169.2	0	0	109.7	L4 T5 L6	E2-L4 PolarHBondContact O-N 3.12Å; E2-L4 VanDerWaalsContact O-N 3.16Å; E2-T5 WeakPolarHBondContact O-CA 3.34Å; E2-T5 VanDerWaalsContact O-CB 3.28Å; E2-T5 WeakPolarHBondContact O-CB 3.34Å; E2-T5 PolarHBondContact O-N 3.39Å; E2-L6 PolarHBondContact O-N 3.31Å; E2-L6 VanDerWaalsContact O-N 3.13Å
3	R	79.5	Confident	79.1	Confident	85 Å²	85	84.1 Å²	84.1	32%	0.321	41%	0.413	S	S	.	.	H	α-helix	trans	-57.7	-32.7	-174	-64.9	-171.8	-173.8	-68.1	0.4	112.8	M1 L6 F7 L41 E317	M1-R3 PolarHBondContact O-N 2.68Å; R3-L6 WeakPolarHBondContact O-CB 3.18Å; R3-L6 PolarHBondContact O-N 2.98Å; R3-F7 PolarHBondContact O-N 2.66Å; R3-L41 HydrophobicContact CB-CD1 3.92Å; R3-E317 WeakPolarHBondContact CD-OE1 3.28Å; R3-E317 IonicContact CZ-OE1 3.88Å; R3-E317 IonicContact NE-OE1 3.56Å; R3-E317 IonicContact NH1-OE1 3.81Å; R3-E317 PolarHBondContact NH1-OE1 3.05Å
4	L	78.4	Confident	79.2	Confident	29 Å²	29	81.4 Å²	81.4	15%	0.152	40%	0.396	C	S	.	.	H	α-helix	trans	-64	-41.2	172.8	-72.6	169	0	0	0	112.3	E2 L6 F7 H8 Y38 L41	E2-L4 PolarHBondContact O-N 3.12Å; E2-L4 VanDerWaalsContact O-N 3.16Å; L4-L6 VanDerWaalsContact C-N 3.32Å; L4-L6 PolarHBondContact O-N 3.33Å; L4-F7 WeakPolarHBondContact O-CB 3.21Å; L4-F7 PolarHBondContact O-N 3.45Å; L4-H8 PolarHBondContact O-CD2 3.2Å; L4-H8 PolarHBondContact O-N 2.97Å; L4-Y38 HydrophobicContact CD1-CD2 3.83Å; L4-Y38 HydrophobicContact CD1-CE2 4.5Å; L4-Y38 HydrophobicContact CD2-CD2 4.47Å; L4-L41 HydrophobicContact CD1-CD1 4.42Å; L4-L41 HydrophobicContact CD2-CD1 4.05Å; L4-L41 HydrophobicContact CG-CD1 3.74Å
5	T	81.9	Confident	79.1	Confident	59 Å²	59	83.1 Å²	83.1	36%	0.362	41%	0.413	S	S	.	.	H	α-helix	trans	-61.6	-43.1	174	-47.1	0	0	0	0	110.8	M1 E2 F7 H8 L9	M1-T5 HydrophobicContact CG-CG2 3.8Å; M1-T5 HydrophobicContact SD-CG2 3.83Å; E2-T5 WeakPolarHBondContact O-CA 3.34Å; E2-T5 VanDerWaalsContact O-CB 3.28Å; E2-T5 WeakPolarHBondContact O-CB 3.34Å; E2-T5 PolarHBondContact O-N 3.39Å; T5-F7 VanDerWaalsContact C-N 3.34Å; T5-F7 PolarHBondContact O-N 3.39Å; T5-H8 PolarHBondContact O-N 2.95Å; T5-L9 HydrophobicContact CG2-CD1 4.17Å; T5-L9 HydrophobicContact CG2-CG 4.45Å; T5-L9 WeakPolarHBondContact O-CB 3.5Å; T5-L9 VanDerWaalsContact O-CG 3.3Å; T5-L9 WeakPolarHBondContact O-CG 3.31Å; T5-L9 PolarHBondContact O-N 3.01Å
6	L	79.5	Confident	79.4	Confident	64 Å²	64	87.4 Å²	87.4	34%	0.335	44%	0.438	S	S	.	.	H	α-helix	trans	-61.9	-41.3	175	-74.3	169.1	0	0	0	111.9	M1 E2 R3 L4 L9 R10	M1-L6 HydrophobicContact CB-CD1 4.49Å; M1-L6 HydrophobicContact CB-CD2 4.41Å; M1-L6 HydrophobicContact CB-CG 4.15Å; M1-L6 HydrophobicContact CG-CD2 4.29Å; M1-L6 HydrophobicContact CG-CG 4Å; M1-L6 HydrophobicContact SD-CD2 3.37Å; M1-L6 WeakPolarHBondContact SD-CD2 3.5Å; M1-L6 HydrophobicContact SD-CG 3.64Å; E2-L6 PolarHBondContact O-N 3.31Å; E2-L6 VanDerWaalsContact O-N 3.13Å; R3-L6 WeakPolarHBondContact O-CB 3.18Å; R3-L6 PolarHBondContact O-N 2.98Å; L4-L6 VanDerWaalsContact C-N 3.32Å; L4-L6 PolarHBondContact O-N 3.33Å; L6-L9 PolarHBondContact O-N 3.33Å; L6-R10 WeakPolarHBondContact O-CB 3.12Å; L6-R10 WeakPolarHBondContact O-CG 3.42Å; L6-R10 PolarHBondContact O-N 3.33Å; L6-R10 VanDerWaalsContact O-N 3.09Å; L6-R10 PolarHBondContact O-NE 3.4Å; L6-R10 VanDerWaalsContact O-NE 3.09Å
7	F	81.5	Confident	79.8	Confident	0 Å²	0	86.5 Å²	86.5	0%	0	43%	0.432	C	S	.	.	H	α-helix	trans	-59.4	-48.2	174.6	-177.6	-87	0	0	0	111.4	R3 L4 T5 L9 R10 R11 V33 S34 Y37 T264	R3-F7 PolarHBondContact O-N 2.66Å; L4-F7 WeakPolarHBondContact O-CB 3.21Å; L4-F7 PolarHBondContact O-N 3.45Å; T5-F7 VanDerWaalsContact C-N 3.34Å; T5-F7 PolarHBondContact O-N 3.39Å; F7-L9 PolarHBondContact O-N 3.45Å; F7-R10 PolarHBondContact O-N 2.9Å; F7-R11 PolarHBondContact O-N 2.94Å; F7-V33 HydrophobicContact CE2-CG1 3.68Å; F7-V33 HydrophobicContact CZ-CG1 4.1Å; F7-S34 WeakPolarHBondContact CE1-OG 3.45Å; F7-Y37 HydrophobicContact CD2-CD1 4.19Å; F7-Y37 HydrophobicContact CD2-CD2 4.22Å; F7-Y37 HydrophobicContact CD2-CE1 4.2Å; F7-Y37 HydrophobicContact CD2-CE2 4.23Å; F7-Y37 HydrophobicContact CD2-CG 4.2Å; F7-Y37 HydrophobicContact CE2-CD2 4.26Å; F7-Y37 HydrophobicContact CE2-CE2 4.3Å; F7-T264 HydrophobicContact CD2-CG2 4.46Å; F7-T264 VanDerWaalsContact CD2-O 3.28Å; F7-T264 WeakPolarHBondContact CD2-O 3.29Å; F7-T264 HydrophobicContact CE1-CG2 4Å; F7-T264 HydrophobicContact CE2-CG2 3.83Å; F7-T264 VanDerWaalsContact CE2-O 3.24Å; F7-T264 WeakPolarHBondContact CE2-O 3.38Å; F7-T264 HydrophobicContact CZ-CG2 3.57Å
8	H	82.9	Confident	80.3	Confident	105 Å²	105	86.9 Å²	86.9	49%	0.486	44%	0.442	S	S	.	.	H	α-helix	trans	-64.6	-37.6	179	-69.7	-53.9	0	0	0	113.3	L4 T5 R10 R11	L4-H8 PolarHBondContact O-CD2 3.2Å; L4-H8 PolarHBondContact O-N 2.97Å; T5-H8 PolarHBondContact O-N 2.95Å; H8-R10 VanDerWaalsContact C-N 3.3Å; H8-R10 PolarHBondContact O-N 3.43Å; H8-R11 PolarHBondContact O-N 3.5Å
9	L	83.7	Confident	80.7	Confident	120 Å²	120	91.9 Å²	91.9	63%	0.628	46%	0.464	S	S	*	.	H	α-helix	trans	-69.2	-27.5	176.3	-71.9	173.9	0	0	0	113.2	M1 T5 L6 F7	M1-L9 HydrophobicContact CE-CD1 3.73Å; M1-L9 HydrophobicContact SD-CD1 3.41Å; M1-L9 WeakPolarHBondContact SD-CD1 3.5Å; T5-L9 HydrophobicContact CG2-CD1 4.17Å; T5-L9 HydrophobicContact CG2-CG 4.45Å; T5-L9 WeakPolarHBondContact O-CB 3.5Å; T5-L9 VanDerWaalsContact O-CG 3.3Å; T5-L9 WeakPolarHBondContact O-CG 3.31Å; T5-L9 PolarHBondContact O-N 3.01Å; L6-L9 PolarHBondContact O-N 3.33Å; F7-L9 PolarHBondContact O-N 3.45Å
10	R	84.1	Confident	81.4	Confident	63 Å²	63	90.5 Å²	90.5	24%	0.238	46%	0.46	C	S	.	.	H	α-helix	trans	-80.6	-19.5	177.4	-72.9	178.3	-68.4	174.4	-11.8	113	L6 F7 H8 A12 A263 T264 E317	L6-R10 WeakPolarHBondContact O-CB 3.12Å; L6-R10 WeakPolarHBondContact O-CG 3.42Å; L6-R10 PolarHBondContact O-N 3.33Å; L6-R10 VanDerWaalsContact O-N 3.09Å; L6-R10 PolarHBondContact O-NE 3.4Å; L6-R10 VanDerWaalsContact O-NE 3.09Å; F7-R10 PolarHBondContact O-N 2.9Å; H8-R10 VanDerWaalsContact C-N 3.3Å; H8-R10 PolarHBondContact O-N 3.43Å; R10-A12 PolarHBondContact O-N 3.24Å; R10-A263 WeakPolarHBondContact CB-O 3.41Å; R10-A263 VanDerWaalsContact CD-O 3.29Å; R10-A263 WeakPolarHBondContact CD-O 3.43Å; R10-T264 PolarHBondContact O-OG1 2.79Å; R10-E317 IonicContact CZ-OE2 2.71Å; R10-E317 IonicContact NH1-OE2 3.31Å; R10-E317 IonicContact NH2-OE2 3.53Å; R10-E317 PolarHBondContact NH2-OE2 2.69Å; R10-E317 VanDerWaalsContact NH2-OE2 3.09Å
11	R	83.6	Confident	82.1	Confident	103 Å²	103	94 Å²	94	39%	0.389	47%	0.467	S	S	.	.	S	Bend	trans	-67	125	-177.9	-171.5	174	173.7	178.7	-6.8	110.7	F7 H8 E30 T264	F7-R11 PolarHBondContact O-N 2.94Å; H8-R11 PolarHBondContact O-N 3.5Å; R11-E30 IonicContact NE-OE2 2.84Å; R11-T264 WeakPolarHBondContact CA-OG1 3.19Å; R11-T264 HydrophobicContact CB-CG2 3.9Å; R11-T264 HydrophobicContact CG-CG2 4.09Å
12	A	80	Confident	84.1	Confident	46 Å²	46	89.6 Å²	89.6	38%	0.38	45%	0.449	S	S	.	.			trans	-64.7	139.9	175.4	0	0	0	0	0	111.2	R10 R14	R10-A12 PolarHBondContact O-N 3.24Å; A12-R14 HydrophobicContact CB-CG 4.41Å; A12-R14 PolarHBondContact O-N 2.67Å
13	D	81.7	Confident	84.9	Confident	118 Å²	118	83.7 Å²	83.7	63%	0.631	42%	0.422	S	S	*	.			trans	-75	109.6	166.7	-179.4	6.9	0	0	0	109.2	T15	D13-T15 VanDerWaalsContact OD1-CB 3.3Å; D13-T15 WeakPolarHBondContact OD1-CB 3.47Å; D13-T15 WeakPolarHBondContact OD1-CG2 3.23Å; D13-T15 PolarHBondContact OD1-N 3.13Å; D13-T15 PolarHBondContact OD1-OG1 3.32Å; D13-T15 PolarHBondContact OD2-OG1 3.35Å
14	R	80.5	Confident	85.6	Confident	47 Å²	47	82.7 Å²	82.7	18%	0.177	42%	0.422	C	S	.	.			trans	-101.9	8.3	-178.7	-58.2	-175.5	179.6	-79.1	-2	113.3	A12 N16 E17 Q26 E30	A12-R14 HydrophobicContact CB-CG 4.41Å; A12-R14 PolarHBondContact O-N 2.67Å; R14-N16 PolarHBondContact O-N 3.4Å; R14-E17 HydrophobicContact CB-CG 4.32Å; R14-E17 WeakPolarHBondContact CG-OE2 3.48Å; R14-E17 IonicContact CZ-OE2 3.49Å; R14-E17 IonicContact NH1-OE1 2.81Å; R14-E17 PolarHBondContact NH1-OE1 3.14Å; R14-E17 IonicContact NH1-OE2 3.28Å; R14-E17 PolarHBondContact NH1-OE2 3.14Å; R14-E17 PolarHBondContact O-N 3.12Å; R14-E17 VanDerWaalsContact O-N 3.09Å; R14-Q26 VanDerWaalsContact NH2-CG 3.26Å; R14-E30 IonicContact CZ-OE1 3.06Å; R14-E30 VanDerWaalsContact CZ-OE1 3.31Å; R14-E30 IonicContact NE-OE1 3.43Å; R14-E30 PolarHBondContact NE-OE1 3.02Å; R14-E30 IonicContact NE-OE2 3.41Å; R14-E30 PolarHBondContact NE-OE2 2.79Å; R14-E30 IonicContact NH2-OE1 3.84Å; R14-E30 PolarHBondContact NH2-OE1 2.96Å
15	T	78.8	Confident	86.4	Confident	107 Å²	107	83.2 Å²	83.2	66%	0.656	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-22.9	-174.1	51	0	0	0	0	114.6	D13	D13-T15 VanDerWaalsContact OD1-CB 3.3Å; D13-T15 WeakPolarHBondContact OD1-CB 3.47Å; D13-T15 WeakPolarHBondContact OD1-CG2 3.23Å; D13-T15 PolarHBondContact OD1-N 3.13Å; D13-T15 PolarHBondContact OD1-OG1 3.32Å; D13-T15 PolarHBondContact OD2-OG1 3.35Å
16	N	83.5	Confident	87	Confident	151 Å²	151	81 Å²	81	81%	0.807	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.7	7.5	-179	-60.2	-60.5	0	0	0	113.6	R14	R14-N16 PolarHBondContact O-N 3.4Å
17	E	85.9	Confident	87.6	Confident	73 Å²	73	81.9 Å²	81.9	34%	0.341	41%	0.414	S	S	.	.	S	Bend	trans	-78.5	143.8	178	-68.1	-173.4	161.4	0	0	110.8	R14 I23	R14-E17 HydrophobicContact CB-CG 4.32Å; R14-E17 WeakPolarHBondContact CG-OE2 3.48Å; R14-E17 IonicContact CZ-OE2 3.49Å; R14-E17 IonicContact NH1-OE1 2.81Å; R14-E17 PolarHBondContact NH1-OE1 3.14Å; R14-E17 IonicContact NH1-OE2 3.28Å; R14-E17 PolarHBondContact NH1-OE2 3.14Å; R14-E17 PolarHBondContact O-N 3.12Å; R14-E17 VanDerWaalsContact O-N 3.09Å; E17-I23 HydrophobicContact CB-CG1 4.38Å; E17-I23 HydrophobicContact CB-CG2 4.23Å; E17-I23 VanDerWaalsContact OE2-CD1 3.26Å; E17-I23 WeakPolarHBondContact OE2-CD1 3.15Å
18	P	88.8	Confident	88.2	Confident	94 Å²	94	86.9 Å²	86.9	61%	0.61	44%	0.438	S	S	*	.			trans	-65.5	137.7	175.2	27.6	-33.8	0	0	0	110.6	T20	P18-T20 HydrophobicContact CB-CG2 4.36Å; P18-T20 HydrophobicContact CG-CG2 4.37Å; P18-T20 PolarHBondContact O-N 2.84Å
19	E	88.1	Confident	88.7	Confident	182 Å²	182	82.3 Å²	82.3	85%	0.85	42%	0.417	S	S	*	.			trans	-69.6	81	175.7	-66.7	-174	167.6	0	0	110.9
20	T	95.3	Very high	89.2	Confident	62 Å²	62	76.6 Å²	76.6	38%	0.38	39%	0.387	S	S	.	.			trans	-101.7	159.3	169.4	68.5	0	0	0	0	109.5	P18 T22 I23 I24	P18-T20 HydrophobicContact CB-CG2 4.36Å; P18-T20 HydrophobicContact CG-CG2 4.37Å; P18-T20 PolarHBondContact O-N 2.84Å; T20-T22 PolarHBondContact O-N 3.46Å; T20-T22 VanDerWaalsContact O-N 3.16Å; T20-I23 PolarHBondContact O-N 2.7Å; T20-I23 PolarHBondContact OG1-N 3.15Å; T20-I24 WeakPolarHBondContact O-CG1 3.43Å; T20-I24 PolarHBondContact O-N 3.09Å
21	R	96.1	Very high	89.5	Confident	165 Å²	165	77 Å²	77	62%	0.623	40%	0.4	S	S	*	.	H	α-helix	trans	-53.6	-38.7	176.9	-177.5	62.5	-169.9	-172.4	10.2	112.4	I23 I24 D25	R21-I23 PolarHBondContact O-N 3.34Å; R21-I24 PolarHBondContact O-N 2.71Å; R21-D25 IonicContact CZ-OD1 2.98Å; R21-D25 IonicContact CZ-OD2 3.85Å; R21-D25 VanDerWaalsContact NE-CG 3.28Å; R21-D25 IonicContact NE-OD1 2.88Å; R21-D25 PolarHBondContact NE-OD1 2.72Å; R21-D25 IonicContact NE-OD2 3.02Å; R21-D25 PolarHBondContact NE-OD2 3.27Å; R21-D25 IonicContact NH1-OD1 3.98Å; R21-D25 IonicContact NH2-OD1 2.68Å; R21-D25 PolarHBondContact NH2-OD1 2.91Å; R21-D25 IonicContact NH2-OD2 3.85Å; R21-D25 WeakPolarHBondContact O-CB 3.37Å; R21-D25 VanDerWaalsContact O-CG 3.31Å; R21-D25 PolarHBondContact O-N 3.11Å
22	T	95.4	Very high	90	Very high	60 Å²	60	75.3 Å²	75.3	37%	0.368	40%	0.398	S	S	.	.	H	α-helix	trans	-57.6	-47.8	175.8	-64.1	0	0	0	0	112.5	T20 Q26 N273	T20-T22 PolarHBondContact O-N 3.46Å; T20-T22 VanDerWaalsContact O-N 3.16Å; T22-Q26 VanDerWaalsContact O-CB 3.27Å; T22-Q26 WeakPolarHBondContact O-CB 3.43Å; T22-Q26 PolarHBondContact O-N 3.02Å; T22-N273 HydrophobicContact CG2-CB 3.92Å
23	I	93.8	Very high	90.6	Very high	24 Å²	24	73.1 Å²	73.1	12%	0.123	38%	0.38	C	S	.	.	H	α-helix	trans	-69	-41.6	-178.9	-62.6	-48.3	0	0	0	110.7	E17 T20 R21 Q26 M27	E17-I23 HydrophobicContact CB-CG1 4.38Å; E17-I23 HydrophobicContact CB-CG2 4.23Å; E17-I23 VanDerWaalsContact OE2-CD1 3.26Å; E17-I23 WeakPolarHBondContact OE2-CD1 3.15Å; T20-I23 PolarHBondContact O-N 2.7Å; T20-I23 PolarHBondContact OG1-N 3.15Å; R21-I23 PolarHBondContact O-N 3.34Å; I23-Q26 PolarHBondContact O-N 3.39Å; I23-M27 HydrophobicContact CG2-CG 4.33Å; I23-M27 HydrophobicContact CG2-SD 3.87Å; I23-M27 WeakPolarHBondContact O-CB 3.03Å; I23-M27 VanDerWaalsContact O-CG 3.27Å; I23-M27 WeakPolarHBondContact O-CG 3.27Å; I23-M27 PolarHBondContact O-N 3.17Å
24	I	94.2	Very high	91	Very high	65 Å²	65	68.4 Å²	68.4	33%	0.333	36%	0.356	S	S	.	.	H	α-helix	trans	-60.1	-51.8	177.1	-64.3	167.2	0	0	0	110.6	T20 R21 Q26 M27 E28	T20-I24 WeakPolarHBondContact O-CG1 3.43Å; T20-I24 PolarHBondContact O-N 3.09Å; R21-I24 PolarHBondContact O-N 2.71Å; I24-Q26 VanDerWaalsContact C-N 3.28Å; I24-Q26 PolarHBondContact O-N 3.48Å; I24-M27 PolarHBondContact O-N 3.05Å; I24-E28 WeakPolarHBondContact O-CG 3.38Å; I24-E28 PolarHBondContact O-N 3.29Å
25	D	95.4	Very high	91.5	Very high	39 Å²	39	70.3 Å²	70.3	21%	0.209	37%	0.366	C	S	.	.	H	α-helix	trans	-61.3	-36.8	179.4	-73	-24.4	0	0	0	112.1	R21 T29 L275	R21-D25 IonicContact CZ-OD1 2.98Å; R21-D25 IonicContact CZ-OD2 3.85Å; R21-D25 VanDerWaalsContact NE-CG 3.28Å; R21-D25 IonicContact NE-OD1 2.88Å; R21-D25 PolarHBondContact NE-OD1 2.72Å; R21-D25 IonicContact NE-OD2 3.02Å; R21-D25 PolarHBondContact NE-OD2 3.27Å; R21-D25 IonicContact NH1-OD1 3.98Å; R21-D25 IonicContact NH2-OD1 2.68Å; R21-D25 PolarHBondContact NH2-OD1 2.91Å; R21-D25 IonicContact NH2-OD2 3.85Å; R21-D25 WeakPolarHBondContact O-CB 3.37Å; R21-D25 VanDerWaalsContact O-CG 3.31Å; R21-D25 PolarHBondContact O-N 3.11Å; D25-T29 WeakPolarHBondContact O-CB 3.49Å; D25-T29 PolarHBondContact O-N 3.48Å; D25-T29 PolarHBondContact O-OG1 2.85Å; D25-L275 HydrophobicContact CB-CD1 4.38Å; D25-L275 HydrophobicContact CB-CD2 4.1Å
26	Q	94.5	Very high	92	Very high	13 Å²	13	65.6 Å²	65.6	6%	0.061	34%	0.337	C	S	.	.	H	α-helix	trans	-67.8	-43.8	176.4	-179.7	58.9	34.2	0	0	111.5	R14 T22 I23 I24 T29 E30 E265 L275	R14-Q26 VanDerWaalsContact NH2-CG 3.26Å; T22-Q26 VanDerWaalsContact O-CB 3.27Å; T22-Q26 WeakPolarHBondContact O-CB 3.43Å; T22-Q26 PolarHBondContact O-N 3.02Å; I23-Q26 PolarHBondContact O-N 3.39Å; I24-Q26 VanDerWaalsContact C-N 3.28Å; I24-Q26 PolarHBondContact O-N 3.48Å; Q26-T29 PolarHBondContact O-N 3.11Å; Q26-E30 PolarHBondContact NE2-OE1 3.12Å; Q26-E30 WeakPolarHBondContact O-CG 3.31Å; Q26-E30 PolarHBondContact O-N 2.9Å; Q26-E265 PolarHBondContact NE2-OE1 3.47Å; Q26-L275 HydrophobicContact CB-CD2 4.28Å
27	M	92.2	Very high	92.3	Very high	83 Å²	83	58.4 Å²	58.4	41%	0.409	30%	0.299	S	S	.	.	H	α-helix	trans	-63.4	-41.6	176.3	-73.8	174.3	64.7	0	0	112.3	I23 I24 T29 E30 S31	I23-M27 HydrophobicContact CG2-CG 4.33Å; I23-M27 HydrophobicContact CG2-SD 3.87Å; I23-M27 WeakPolarHBondContact O-CB 3.03Å; I23-M27 VanDerWaalsContact O-CG 3.27Å; I23-M27 WeakPolarHBondContact O-CG 3.27Å; I23-M27 PolarHBondContact O-N 3.17Å; I24-M27 PolarHBondContact O-N 3.05Å; M27-T29 VanDerWaalsContact C-N 3.34Å; M27-E30 PolarHBondContact O-N 2.93Å; M27-S31 WeakPolarHBondContact O-CB 3.45Å; M27-S31 PolarHBondContact O-N 3.13Å
28	E	93.6	Very high	92.4	Very high	105 Å²	105	61.5 Å²	61.5	49%	0.491	31%	0.309	S	S	.	.	H	α-helix	trans	-60.9	-44.5	174	-73.5	177.3	-169.1	0	0	111.1	I24 S31 L32	I24-E28 WeakPolarHBondContact O-CG 3.38Å; I24-E28 PolarHBondContact O-N 3.29Å; E28-S31 WeakPolarHBondContact O-CB 3.5Å; E28-S31 PolarHBondContact O-N 3.35Å; E28-L32 WeakPolarHBondContact O-CG 3.41Å; E28-L32 PolarHBondContact O-N 3.27Å
29	T	94.7	Very high	92.3	Very high	8 Å²	8	59.5 Å²	59.5	5%	0.049	29%	0.291	C	S	.	.	H	α-helix	trans	-63.3	-47	177.6	-60.8	0	0	0	0	111.9	D25 Q26 M27 S31 L32 V33 V276 K368	D25-T29 WeakPolarHBondContact O-CB 3.49Å; D25-T29 PolarHBondContact O-N 3.48Å; D25-T29 PolarHBondContact O-OG1 2.85Å; Q26-T29 PolarHBondContact O-N 3.11Å; M27-T29 VanDerWaalsContact C-N 3.34Å; T29-S31 VanDerWaalsContact C-N 3.27Å; T29-S31 PolarHBondContact O-N 3.24Å; T29-L32 PolarHBondContact O-N 3.22Å; T29-V33 HydrophobicContact CG2-CG2 4.41Å; T29-V33 WeakPolarHBondContact O-CG2 3.41Å; T29-V33 PolarHBondContact O-N 3.02Å; T29-V276 HydrophobicContact CG2-CG1 3.86Å; T29-K368 HydrophobicContact CG2-CD 4.2Å
30	E	92.9	Very high	92.2	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-58.7	-39.4	175.8	-75.8	174.3	-170.1	0	0	111.9	R11 R14 Q26 M27 S34 T264	R11-E30 IonicContact NE-OE2 2.84Å; R14-E30 IonicContact CZ-OE1 3.06Å; R14-E30 VanDerWaalsContact CZ-OE1 3.31Å; R14-E30 IonicContact NE-OE1 3.43Å; R14-E30 PolarHBondContact NE-OE1 3.02Å; R14-E30 IonicContact NE-OE2 3.41Å; R14-E30 PolarHBondContact NE-OE2 2.79Å; R14-E30 IonicContact NH2-OE1 3.84Å; R14-E30 PolarHBondContact NH2-OE1 2.96Å; Q26-E30 PolarHBondContact NE2-OE1 3.12Å; Q26-E30 WeakPolarHBondContact O-CG 3.31Å; Q26-E30 PolarHBondContact O-N 2.9Å; M27-E30 PolarHBondContact O-N 2.93Å; E30-S34 VanDerWaalsContact O-CB 3.25Å; E30-S34 WeakPolarHBondContact O-CB 3.36Å; E30-S34 PolarHBondContact O-N 2.88Å; E30-T264 HydrophobicContact CG-CG2 4.3Å
31	S	91.6	Very high	91.8	Very high	71 Å²	71	49.9 Å²	49.9	50%	0.497	24%	0.243	S	C	.	.	H	α-helix	trans	-63.4	-46.3	176.3	-173.7	0	0	0	0	111.8	M27 E28 T29 S34 K35	M27-S31 WeakPolarHBondContact O-CB 3.45Å; M27-S31 PolarHBondContact O-N 3.13Å; E28-S31 WeakPolarHBondContact O-CB 3.5Å; E28-S31 PolarHBondContact O-N 3.35Å; T29-S31 VanDerWaalsContact C-N 3.27Å; T29-S31 PolarHBondContact O-N 3.24Å; S31-S34 PolarHBondContact O-N 2.68Å; S31-K35 WeakPolarHBondContact O-CB 3.29Å; S31-K35 PolarHBondContact O-N 3.43Å
32	L	93	Very high	91.3	Very high	67 Å²	67	44.9 Å²	44.9	35%	0.351	23%	0.232	S	C	.	.	H	α-helix	trans	-64.9	-41.2	177.6	-71.4	173.8	0	0	0	112.4	E28 T29 K35 A36 L333 P369	E28-L32 WeakPolarHBondContact O-CG 3.41Å; E28-L32 PolarHBondContact O-N 3.27Å; T29-L32 PolarHBondContact O-N 3.22Å; L32-K35 PolarHBondContact O-N 3.1Å; L32-A36 PolarHBondContact O-N 3.13Å; L32-L333 HydrophobicContact CD2-CD2 4.38Å; L32-P369 HydrophobicContact CB-CB 4.31Å
33	V	92.8	Very high	90.6	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-65.2	-46.3	175.5	172.4	0	0	0	0	110.5	F7 T29 K35 A36 Y37 E265 Y318 P369	F7-V33 HydrophobicContact CE2-CG1 3.68Å; F7-V33 HydrophobicContact CZ-CG1 4.1Å; T29-V33 HydrophobicContact CG2-CG2 4.41Å; T29-V33 WeakPolarHBondContact O-CG2 3.41Å; T29-V33 PolarHBondContact O-N 3.02Å; V33-K35 VanDerWaalsContact C-N 3.27Å; V33-K35 PolarHBondContact O-N 3.48Å; V33-A36 PolarHBondContact O-N 3.41Å; V33-A36 VanDerWaalsContact O-N 3.13Å; V33-Y37 HydrophobicContact CG1-CD2 3.83Å; V33-Y37 HydrophobicContact CG1-CE2 3.78Å; V33-Y37 WeakPolarHBondContact O-CD2 3.46Å; V33-Y37 PolarHBondContact O-N 2.85Å; V33-E265 HydrophobicContact CB-CG 4.16Å; V33-E265 HydrophobicContact CG1-CB 4.09Å; V33-E265 HydrophobicContact CG1-CG 3.98Å; V33-E265 HydrophobicContact CG2-CG 3.96Å; V33-Y318 HydrophobicContact CG2-CE2 4.27Å; V33-P369 HydrophobicContact CG2-CG 4.29Å
34	S	90.9	Very high	90	Very high	20 Å²	20	46.4 Å²	46.4	14%	0.14	23%	0.233	C	C	.	.	H	α-helix	trans	-56.6	-43.2	175.6	-169.9	0	0	0	0	111.8	F7 E30 S31 Y37 Y38	F7-S34 WeakPolarHBondContact CE1-OG 3.45Å; E30-S34 VanDerWaalsContact O-CB 3.25Å; E30-S34 WeakPolarHBondContact O-CB 3.36Å; E30-S34 PolarHBondContact O-N 2.88Å; S31-S34 PolarHBondContact O-N 2.68Å; S34-Y37 PolarHBondContact O-N 3.25Å; S34-Y38 WeakPolarHBondContact O-CB 3.42Å; S34-Y38 PolarHBondContact O-N 2.99Å
35	K	90.6	Very high	89.5	Confident	87 Å²	87	51 Å²	51	38%	0.378	25%	0.25	S	S	.	.	H	α-helix	trans	-63	-45.2	176.8	-177.9	-179.6	173.9	-174.6	0	111.2	S31 L32 V33 Y38 E39	S31-K35 WeakPolarHBondContact O-CB 3.29Å; S31-K35 PolarHBondContact O-N 3.43Å; L32-K35 PolarHBondContact O-N 3.1Å; V33-K35 VanDerWaalsContact C-N 3.27Å; V33-K35 PolarHBondContact O-N 3.48Å; K35-Y38 PolarHBondContact O-N 2.98Å; K35-E39 WeakPolarHBondContact CE-OE1 3.39Å; K35-E39 HydrophobicContact CG-CG 4.32Å; K35-E39 IonicContact NZ-OE1 3.9Å; K35-E39 WeakPolarHBondContact O-CB 3.45Å; K35-E39 WeakPolarHBondContact O-CG 3.42Å; K35-E39 PolarHBondContact O-N 3.33Å
36	A	89.7	Confident	88.6	Confident	7 Å²	7	56 Å²	56	6%	0.058	28%	0.278	C	S	.	.	H	α-helix	trans	-62.5	-43.7	177.7	0	0	0	0	0	112.5	L32 V33 K40 P369	L32-A36 PolarHBondContact O-N 3.13Å; V33-A36 PolarHBondContact O-N 3.41Å; V33-A36 VanDerWaalsContact O-N 3.13Å; A36-K40 PolarHBondContact O-N 3.31Å; A36-K40 VanDerWaalsContact O-N 3.07Å; A36-P369 HydrophobicContact CB-CB 4.25Å; A36-P369 HydrophobicContact CB-CG 3.78Å
37	Y	89.4	Confident	88.1	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-56	-52.5	172.8	-94.8	-110	0	0	0	111	F7 V33 S34 L41 E265 E317 L321 C322	F7-Y37 HydrophobicContact CD2-CD1 4.19Å; F7-Y37 HydrophobicContact CD2-CD2 4.22Å; F7-Y37 HydrophobicContact CD2-CE1 4.2Å; F7-Y37 HydrophobicContact CD2-CE2 4.23Å; F7-Y37 HydrophobicContact CD2-CG 4.2Å; F7-Y37 HydrophobicContact CE2-CD2 4.26Å; F7-Y37 HydrophobicContact CE2-CE2 4.3Å; V33-Y37 HydrophobicContact CG1-CD2 3.83Å; V33-Y37 HydrophobicContact CG1-CE2 3.78Å; V33-Y37 WeakPolarHBondContact O-CD2 3.46Å; V33-Y37 PolarHBondContact O-N 2.85Å; S34-Y37 PolarHBondContact O-N 3.25Å; Y37-L41 HydrophobicContact CD1-CD1 4.36Å; Y37-L41 VanDerWaalsContact O-CB 3.29Å; Y37-L41 WeakPolarHBondContact O-CB 3.34Å; Y37-L41 WeakPolarHBondContact O-CD1 3.35Å; Y37-L41 WeakPolarHBondContact O-CG 3.43Å; Y37-L41 PolarHBondContact O-N 3.26Å; Y37-E265 PolarHBondContact OH-O 3.2Å; Y37-E317 HydrophobicContact CE1-CB 4.41Å; Y37-E317 WeakPolarHBondContact OH-CB 3.23Å; Y37-L321 HydrophobicContact CD1-CD1 3.51Å; Y37-L321 HydrophobicContact CD2-CB 4.31Å; Y37-L321 HydrophobicContact CE1-CD1 3.46Å; Y37-L321 VanDerWaalsContact CE1-CD1 3.46Å; Y37-L321 HydrophobicContact CE2-CB 4.36Å; Y37-L321 HydrophobicContact CG-CB 4.47Å; Y37-L321 HydrophobicContact CG-CD1 4.08Å; Y37-C322 WeakPolarHBondContact CD2-SG 3.46Å; Y37-C322 WeakPolarHBondContact CE2-SG 3.19Å
38	Y	87.7	Confident	87.9	Confident	139 Å²	139	54.2 Å²	54.2	55%	0.545	27%	0.27	S	S	.	.	H	α-helix	trans	-60.7	-51.2	-179.1	179.6	-93.7	0	0	0	111.9	L4 S34 K35 K40 L41 C42	L4-Y38 HydrophobicContact CD1-CD2 3.83Å; L4-Y38 HydrophobicContact CD1-CE2 4.5Å; L4-Y38 HydrophobicContact CD2-CD2 4.47Å; S34-Y38 WeakPolarHBondContact O-CB 3.42Å; S34-Y38 PolarHBondContact O-N 2.99Å; K35-Y38 PolarHBondContact O-N 2.98Å; Y38-K40 PolarHBondContact O-N 3.18Å; Y38-L41 PolarHBondContact O-N 2.94Å; Y38-C42 WeakPolarHBondContact CE2-SG 3.44Å; Y38-C42 VanDerWaalsContact CZ-SG 3.53Å; Y38-C42 VanDerWaalsContact O-CB 3.24Å; Y38-C42 WeakPolarHBondContact O-CB 3.29Å; Y38-C42 PolarHBondContact O-N 2.87Å; Y38-C42 PolarHBondContact O-SG 3.4Å; Y38-C42 VanDerWaalsContact O-SG 3.34Å
39	E	85.8	Confident	87.8	Confident	51 Å²	51	50.1 Å²	50.1	24%	0.238	25%	0.251	C	S	.	.	H	α-helix	trans	-59.7	-46.2	-177.6	-75.2	-179.5	171.2	0	0	111.7	K35 Q43	K35-E39 WeakPolarHBondContact CE-OE1 3.39Å; K35-E39 HydrophobicContact CG-CG 4.32Å; K35-E39 IonicContact NZ-OE1 3.9Å; K35-E39 WeakPolarHBondContact O-CB 3.45Å; K35-E39 WeakPolarHBondContact O-CG 3.42Å; K35-E39 PolarHBondContact O-N 3.33Å; E39-Q43 WeakPolarHBondContact O-CB 3.47Å; E39-Q43 WeakPolarHBondContact O-CG 3.32Å; E39-Q43 PolarHBondContact O-N 2.95Å
40	K	86.3	Confident	87.7	Confident	10 Å²	10	51.6 Å²	51.6	4%	0.043	26%	0.256	C	S	.	.	H	α-helix	trans	-68.7	-45.6	179.2	-73.7	-148.5	-171.4	177.6	0	113.1	A36 Y38 C42 Q43 W44 A48 L320 L321	A36-K40 PolarHBondContact O-N 3.31Å; A36-K40 VanDerWaalsContact O-N 3.07Å; Y38-K40 PolarHBondContact O-N 3.18Å; K40-C42 PolarHBondContact O-N 3.46Å; K40-Q43 PolarHBondContact O-N 3.05Å; K40-W44 HydrophobicContact CD-CE3 4.19Å; K40-W44 HydrophobicContact CD-CH2 4.15Å; K40-W44 HydrophobicContact CD-CZ3 3.73Å; K40-W44 HydrophobicContact CG-CZ3 4.49Å; K40-W44 WeakPolarHBondContact O-CB 3.47Å; K40-W44 PolarHBondContact O-N 3.05Å; K40-A48 WeakPolarHBondContact O-CB 3.27Å; K40-L320 PolarHBondContact NZ-O 2.9Å; K40-L321 HydrophobicContact CB-CD2 4.03Å; K40-L321 HydrophobicContact CD-CD2 4.46Å; K40-L321 WeakPolarHBondContact CD-O 3.49Å; K40-L321 WeakPolarHBondContact CE-O 3.38Å; K40-L321 PolarHBondContact NZ-O 2.97Å
41	L	87.3	Confident	87.8	Confident	33 Å²	33	51.9 Å²	51.9	17%	0.173	26%	0.258	C	S	.	.	H	α-helix	trans	-63.8	-41.5	-179.7	-69.5	169.8	0	0	0	111.5	R3 L4 Y37 Y38 K45 A48 L321	R3-L41 HydrophobicContact CB-CD1 3.92Å; L4-L41 HydrophobicContact CD1-CD1 4.42Å; L4-L41 HydrophobicContact CD2-CD1 4.05Å; L4-L41 HydrophobicContact CG-CD1 3.74Å; Y37-L41 HydrophobicContact CD1-CD1 4.36Å; Y37-L41 VanDerWaalsContact O-CB 3.29Å; Y37-L41 WeakPolarHBondContact O-CB 3.34Å; Y37-L41 WeakPolarHBondContact O-CD1 3.35Å; Y37-L41 WeakPolarHBondContact O-CG 3.43Å; Y37-L41 PolarHBondContact O-N 3.26Å; Y38-L41 PolarHBondContact O-N 2.94Å; L41-K45 WeakPolarHBondContact O-CA 3.26Å; L41-K45 PolarHBondContact O-N 3.34Å; L41-K45 VanDerWaalsContact O-N 3.13Å; L41-A48 HydrophobicContact CD2-CB 3.88Å; L41-L321 HydrophobicContact CD1-CD1 4.46Å; L41-L321 HydrophobicContact CD2-CD1 4.42Å; L41-L321 HydrophobicContact CD2-CD2 4.2Å; L41-L321 HydrophobicContact CG-CD1 4.44Å; L41-L321 HydrophobicContact CG-CD2 4.33Å
42	C	85.5	Confident	87.9	Confident	60 Å²	60	49.6 Å²	49.6	41%	0.405	24%	0.239	S	C	.	.	H	α-helix	trans	-72.4	-41.4	178	-69.5	0	0	0	0	113	Y38 K40	Y38-C42 WeakPolarHBondContact CE2-SG 3.44Å; Y38-C42 VanDerWaalsContact CZ-SG 3.53Å; Y38-C42 VanDerWaalsContact O-CB 3.24Å; Y38-C42 WeakPolarHBondContact O-CB 3.29Å; Y38-C42 PolarHBondContact O-N 2.87Å; Y38-C42 PolarHBondContact O-SG 3.4Å; Y38-C42 VanDerWaalsContact O-SG 3.34Å; K40-C42 PolarHBondContact O-N 3.46Å
43	Q	80.6	Confident	87.9	Confident	80 Å²	80	47.6 Å²	47.6	37%	0.374	23%	0.227	S	C	.	.	H	α-helix	trans	-75.3	-40.9	-176.1	-70.4	172.2	19.6	0	0	112.1	E39 K40	E39-Q43 WeakPolarHBondContact O-CB 3.47Å; E39-Q43 WeakPolarHBondContact O-CG 3.32Å; E39-Q43 PolarHBondContact O-N 2.95Å; K40-Q43 PolarHBondContact O-N 3.05Å
44	W	80.9	Confident	87.9	Confident	36 Å²	36	49.7 Å²	49.7	14%	0.136	24%	0.238	C	C	.	.	H	α-helix	trans	-109.1	-12.1	-168.7	-60.1	-5.7	0	0	0	114.2	K40 D46 D47 A48 F52 V326 Y328 T329	K40-W44 HydrophobicContact CD-CE3 4.19Å; K40-W44 HydrophobicContact CD-CH2 4.15Å; K40-W44 HydrophobicContact CD-CZ3 3.73Å; K40-W44 HydrophobicContact CG-CZ3 4.49Å; K40-W44 WeakPolarHBondContact O-CB 3.47Å; K40-W44 PolarHBondContact O-N 3.05Å; W44-D46 PolarHBondContact O-N 2.82Å; W44-D47 HydrophobicContact CB-CB 4.27Å; W44-D47 PolarHBondContact O-N 3.09Å; W44-A48 HydrophobicContact CB-CB 4.17Å; W44-F52 HydrophobicContact CD2-CZ 4.36Å; W44-F52 AromaticContact CE3-CE2 3.78Å; W44-F52 HydrophobicContact CE3-CE2 3.78Å; W44-F52 AromaticContact CE3-CZ 3.6Å; W44-F52 HydrophobicContact CE3-CZ 3.6Å; W44-F52 HydrophobicContact CH2-CD2 4.47Å; W44-F52 HydrophobicContact CH2-CE1 4.46Å; W44-F52 AromaticContact CH2-CE2 3.65Å; W44-F52 HydrophobicContact CH2-CE2 3.65Å; W44-F52 AromaticContact CH2-CZ 3.61Å; W44-F52 HydrophobicContact CH2-CZ 3.61Å; W44-F52 HydrophobicContact CZ2-CZ 4.33Å; W44-F52 HydrophobicContact CZ3-CD2 4.15Å; W44-F52 HydrophobicContact CZ3-CE1 4.4Å; W44-F52 AromaticContact CZ3-CE2 3.07Å; W44-F52 HydrophobicContact CZ3-CE2 3.07Å; W44-F52 AromaticContact CZ3-CZ 3.22Å; W44-F52 HydrophobicContact CZ3-CZ 3.22Å; W44-V326 HydrophobicContact CH2-CG2 3.43Å; W44-V326 VanDerWaalsContact CH2-CG2 3.43Å; W44-V326 HydrophobicContact CZ2-CG2 4.09Å; W44-V326 HydrophobicContact CZ3-CG2 4.42Å; W44-Y328 PolarHBondContact NE1-O 3.21Å; W44-T329 HydrophobicContact CH2-CG2 3.72Å; W44-T329 HydrophobicContact CZ2-CG2 3.67Å
45	K	83.3	Confident	88	Confident	160 Å²	160	49.9 Å²	49.9	70%	0.696	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	49.7	-112.6	177	-58.3	179.9	-179.9	178.1	0	111.3	L41 D47 A48	L41-K45 WeakPolarHBondContact O-CA 3.26Å; L41-K45 PolarHBondContact O-N 3.34Å; L41-K45 VanDerWaalsContact O-N 3.13Å; K45-D47 PolarHBondContact O-N 2.72Å; K45-A48 WeakPolarHBondContact O-CB 3.47Å; K45-A48 PolarHBondContact O-N 3.02Å; K45-A48 VanDerWaalsContact O-N 3.09Å
46	D	78.3	Confident	88.3	Confident	146 Å²	146	45.8 Å²	45.8	78%	0.781	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-64.7	-25.7	-177.4	-56.9	-28.1	0	0	0	112.6	W44	W44-D46 PolarHBondContact O-N 2.82Å
47	D	83.6	Confident	88.5	Confident	56 Å²	56	46.1 Å²	46.1	30%	0.299	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-89.6	-0.7	177.1	-78.8	-57.1	0	0	0	113.6	W44 K45 L49 R50	W44-D47 HydrophobicContact CB-CB 4.27Å; W44-D47 PolarHBondContact O-N 3.09Å; K45-D47 PolarHBondContact O-N 2.72Å; D47-L49 PolarHBondContact O-N 2.86Å; D47-L49 VanDerWaalsContact O-N 3.15Å; D47-R50 VanDerWaalsContact O-CB 3.26Å; D47-R50 WeakPolarHBondContact O-CB 3.32Å; D47-R50 PolarHBondContact O-N 3Å; D47-R50 IonicContact OD1-CZ 2.74Å; D47-R50 VanDerWaalsContact OD1-CZ 3.28Å; D47-R50 IonicContact OD1-NE 3.56Å; D47-R50 PolarHBondContact OD1-NE 3.45Å; D47-R50 IonicContact OD1-NH2 2.95Å; D47-R50 PolarHBondContact OD1-NH2 3.47Å
48	A	87.2	Confident	88.7	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.008	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-33	-173.7	0	0	0	0	0	113.5	K40 L41 W44 K45 L321	K40-A48 WeakPolarHBondContact O-CB 3.27Å; L41-A48 HydrophobicContact CD2-CB 3.88Å; W44-A48 HydrophobicContact CB-CB 4.17Å; K45-A48 WeakPolarHBondContact O-CB 3.47Å; K45-A48 PolarHBondContact O-N 3.02Å; K45-A48 VanDerWaalsContact O-N 3.09Å; A48-L321 HydrophobicContact CB-CD2 4.17Å; A48-L321 WeakPolarHBondContact O-CD2 3.22Å
49	L	91.6	Very high	89	Confident	20 Å²	20	44.7 Å²	44.7	11%	0.105	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	3.8	-178.9	-67.7	172.1	0	0	0	113.5	D47 L51 L320 L321 L414 L418 N420	D47-L49 PolarHBondContact O-N 2.86Å; D47-L49 VanDerWaalsContact O-N 3.15Å; L49-L51 PolarHBondContact O-N 3.11Å; L49-L320 HydrophobicContact CD2-CB 4.43Å; L49-L320 WeakPolarHBondContact O-CD1 3.36Å; L49-L321 HydrophobicContact CD2-CD1 4.09Å; L49-L321 HydrophobicContact CD2-CD2 3.89Å; L49-L321 HydrophobicContact CD2-CG 3.87Å; L49-L414 HydrophobicContact CD1-CD1 3.96Å; L49-L414 HydrophobicContact CD1-CD2 4.09Å; L49-L414 HydrophobicContact CD1-CG 3.8Å; L49-L414 HydrophobicContact CD2-CD2 3.73Å; L49-L414 HydrophobicContact CD2-CG 4.25Å; L49-L414 HydrophobicContact CG-CD2 4.47Å; L49-L414 HydrophobicContact CG-CG 4.48Å; L49-L418 HydrophobicContact CB-CD1 4.38Å; L49-N420 PolarHBondContact O-ND2 3.01Å
50	R	93.5	Very high	89.5	Confident	39 Å²	39	42.2 Å²	42.2	15%	0.147	21%	0.211	C	C	.	.			trans	-63.2	135	-179.5	-175.6	177.3	-70.2	-94.4	5.7	111.2	D47 F52 Q324 L418	D47-R50 VanDerWaalsContact O-CB 3.26Å; D47-R50 WeakPolarHBondContact O-CB 3.32Å; D47-R50 PolarHBondContact O-N 3Å; D47-R50 IonicContact OD1-CZ 2.74Å; D47-R50 VanDerWaalsContact OD1-CZ 3.28Å; D47-R50 IonicContact OD1-NE 3.56Å; D47-R50 PolarHBondContact OD1-NE 3.45Å; D47-R50 IonicContact OD1-NH2 2.95Å; D47-R50 PolarHBondContact OD1-NH2 3.47Å; R50-F52 HydrophobicContact CB-CE2 3.92Å; R50-F52 HydrophobicContact CB-CZ 4.16Å; R50-F52 HydrophobicContact CG-CE2 4.3Å; R50-F52 HydrophobicContact CG-CZ 4.42Å; R50-F52 VanDerWaalsContact O-CD2 3.24Å; R50-F52 WeakPolarHBondContact O-CD2 3.36Å; R50-F52 VanDerWaalsContact O-CE2 3.24Å; R50-F52 WeakPolarHBondContact O-CE2 3.45Å; R50-Q324 PolarHBondContact O-NE2 3.31Å; R50-Q324 PolarHBondContact O-OE1 3.4Å; R50-L418 HydrophobicContact CB-CB 4.48Å; R50-L418 HydrophobicContact CB-CD1 4.04Å; R50-L418 HydrophobicContact CG-CB 4.47Å
51	L	94.6	Very high	89.8	Confident	7 Å²	7	44.2 Å²	44.2	4%	0.037	22%	0.222	C	C	.	.			trans	-82.3	117	162.4	-179	64	0	0	0	108.6	L49 K53 L92 L320 L382 L385 N420 L422	L49-L51 PolarHBondContact O-N 3.11Å; L51-K53 HydrophobicContact CB-CG 4.43Å; L51-K53 HydrophobicContact CD2-CG 3.88Å; L51-K53 HydrophobicContact CG-CG 3.9Å; L51-K53 PolarHBondContact O-N 2.96Å; L51-L92 HydrophobicContact CD2-CD2 4.17Å; L51-L320 HydrophobicContact CB-CD2 3.85Å; L51-L320 HydrophobicContact CD1-CD2 4.21Å; L51-L382 HydrophobicContact CD1-CD2 4.11Å; L51-L382 HydrophobicContact CD2-CD2 4.23Å; L51-L385 HydrophobicContact CD1-CD2 4.22Å; L51-L385 HydrophobicContact CD2-CD2 4.11Å; L51-N420 HydrophobicContact CB-CB 4.41Å; L51-N420 WeakPolarHBondContact CB-OD1 3.48Å; L51-N420 PolarHBondContact N-OD1 2.93Å; L51-L422 HydrophobicContact CD2-CD2 3.66Å; L51-L422 HydrophobicContact CD2-CG 4.24Å
52	F	93.3	Very high	90	Very high	23 Å²	23	48.4 Å²	48.4	10%	0.101	24%	0.238	C	C	.	.			trans	-81.4	61.3	-174.5	-71.2	-97.3	0	0	0	111.6	W44 R50 I54 N55 H56 V326	W44-F52 HydrophobicContact CD2-CZ 4.36Å; W44-F52 AromaticContact CE3-CE2 3.78Å; W44-F52 HydrophobicContact CE3-CE2 3.78Å; W44-F52 AromaticContact CE3-CZ 3.6Å; W44-F52 HydrophobicContact CE3-CZ 3.6Å; W44-F52 HydrophobicContact CH2-CD2 4.47Å; W44-F52 HydrophobicContact CH2-CE1 4.46Å; W44-F52 AromaticContact CH2-CE2 3.65Å; W44-F52 HydrophobicContact CH2-CE2 3.65Å; W44-F52 AromaticContact CH2-CZ 3.61Å; W44-F52 HydrophobicContact CH2-CZ 3.61Å; W44-F52 HydrophobicContact CZ2-CZ 4.33Å; W44-F52 HydrophobicContact CZ3-CD2 4.15Å; W44-F52 HydrophobicContact CZ3-CE1 4.4Å; W44-F52 AromaticContact CZ3-CE2 3.07Å; W44-F52 HydrophobicContact CZ3-CE2 3.07Å; W44-F52 AromaticContact CZ3-CZ 3.22Å; W44-F52 HydrophobicContact CZ3-CZ 3.22Å; R50-F52 HydrophobicContact CB-CE2 3.92Å; R50-F52 HydrophobicContact CB-CZ 4.16Å; R50-F52 HydrophobicContact CG-CE2 4.3Å; R50-F52 HydrophobicContact CG-CZ 4.42Å; R50-F52 VanDerWaalsContact O-CD2 3.24Å; R50-F52 WeakPolarHBondContact O-CD2 3.36Å; R50-F52 VanDerWaalsContact O-CE2 3.24Å; R50-F52 WeakPolarHBondContact O-CE2 3.45Å; F52-I54 VanDerWaalsContact C-N 3.32Å; F52-I54 PolarHBondContact O-N 3.43Å; F52-N55 HydrophobicContact CB-CB 4.18Å; F52-N55 WeakPolarHBondContact O-CB 3.47Å; F52-N55 PolarHBondContact O-N 2.8Å; F52-H56 VanDerWaalsContact C-CD2 3.5Å; F52-H56 PolarHBondContact O-CD2 3.4Å; F52-H56 PolarHBondContact O-N 3.18Å; F52-V326 HydrophobicContact CB-CG1 3.67Å; F52-V326 HydrophobicContact CD1-CG1 4.42Å; F52-V326 HydrophobicContact CD1-CG2 4.39Å; F52-V326 HydrophobicContact CD2-CG1 4.41Å; F52-V326 HydrophobicContact CD2-CG2 4.12Å; F52-V326 HydrophobicContact CE2-CG2 4.39Å; F52-V326 HydrophobicContact CG-CB 4.49Å; F52-V326 HydrophobicContact CG-CG1 3.91Å; F52-V326 HydrophobicContact CG-CG2 4.16Å
53	K	93.8	Very high	90.3	Very high	25 Å²	25	47.3 Å²	47.3	11%	0.109	23%	0.226	C	C	.	.	H	α-helix	trans	-50.1	-45.8	-171.8	-65.4	-172.8	170.9	173.3	0	113.3	L51 N55 H56 V57 L92 G419 E421 V473	L51-K53 HydrophobicContact CB-CG 4.43Å; L51-K53 HydrophobicContact CD2-CG 3.88Å; L51-K53 HydrophobicContact CG-CG 3.9Å; L51-K53 PolarHBondContact O-N 2.96Å; K53-N55 PolarHBondContact O-N 2.96Å; K53-H56 PolarHBondContact O-N 3.23Å; K53-V57 WeakPolarHBondContact O-CB 3.16Å; K53-V57 VanDerWaalsContact O-CG2 3.3Å; K53-V57 WeakPolarHBondContact O-CG2 3.48Å; K53-V57 PolarHBondContact O-N 2.99Å; K53-L92 HydrophobicContact CB-CD2 4.17Å; K53-L92 HydrophobicContact CD-CD2 4.36Å; K53-L92 HydrophobicContact CG-CD2 3.8Å; K53-G419 WeakPolarHBondContact CE-O 3.41Å; K53-G419 PolarHBondContact NZ-O 3.42Å; K53-E421 PolarHBondContact NZ-O 3.5Å; K53-V473 HydrophobicContact CB-CG1 4.49Å
54	I	92.1	Very high	90.8	Very high	44 Å²	44	44.9 Å²	44.9	23%	0.226	22%	0.215	C	C	.	.	H	α-helix	trans	-61.5	-44.7	179.5	-67.8	-165.4	0	0	0	111.6	F52 H56 V57 N58 V473 F474	F52-I54 VanDerWaalsContact C-N 3.32Å; F52-I54 PolarHBondContact O-N 3.43Å; I54-H56 VanDerWaalsContact C-N 3.32Å; I54-H56 PolarHBondContact O-N 3.24Å; I54-V57 PolarHBondContact O-N 3.26Å; I54-N58 WeakPolarHBondContact O-CB 3.19Å; I54-N58 PolarHBondContact O-N 3.3Å; I54-N58 PolarHBondContact O-ND2 2.89Å; I54-V473 HydrophobicContact CD1-CG1 4.35Å; I54-V473 HydrophobicContact CG1-CG1 3.76Å; I54-F474 HydrophobicContact CD1-CD1 4.46Å; I54-F474 HydrophobicContact CD1-CE1 4.2Å
55	N	93.6	Very high	91.1	Very high	24 Å²	24	48.6 Å²	48.6	13%	0.128	24%	0.237	C	C	.	.	H	α-helix	trans	-62.3	-43.4	178.9	-53.9	69.5	0	0	0	110	F52 K53 N58 Y59 V326 D362	F52-N55 HydrophobicContact CB-CB 4.18Å; F52-N55 WeakPolarHBondContact O-CB 3.47Å; F52-N55 PolarHBondContact O-N 2.8Å; K53-N55 PolarHBondContact O-N 2.96Å; N55-N58 PolarHBondContact O-N 3.41Å; N55-Y59 WeakPolarHBondContact O-CB 3.39Å; N55-Y59 PolarHBondContact O-N 3.23Å; N55-V326 HydrophobicContact CB-CG1 3.85Å; N55-D362 PolarHBondContact ND2-OD1 3.37Å; N55-D362 PolarHBondContact ND2-OD2 3.44Å
56	H	95.4	Very high	91.3	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-65.8	-43	176.2	-54	-42.8	0	0	0	112.7	F52 K53 I54 N58 Y59 L60 L92 Q324 G364	F52-H56 VanDerWaalsContact C-CD2 3.5Å; F52-H56 PolarHBondContact O-CD2 3.4Å; F52-H56 PolarHBondContact O-N 3.18Å; K53-H56 PolarHBondContact O-N 3.23Å; I54-H56 VanDerWaalsContact C-N 3.32Å; I54-H56 PolarHBondContact O-N 3.24Å; H56-N58 PolarHBondContact O-N 3.4Å; H56-Y59 WeakPolarHBondContact O-CB 3.4Å; H56-Y59 PolarHBondContact O-N 3.4Å; H56-L60 VanDerWaalsContact O-CB 3.32Å; H56-L60 WeakPolarHBondContact O-CB 3.38Å; H56-L60 WeakPolarHBondContact O-CD1 3.3Å; H56-L60 WeakPolarHBondContact O-CG 3.47Å; H56-L60 PolarHBondContact O-N 3.08Å; H56-L92 HydrophobicContact CB-CD1 3.99Å; H56-Q324 PolarHBondContact NE2-OE1 2.8Å; H56-G364 PolarHBondContact CE1-O 3.29Å; H56-G364 PolarHBondContact ND1-N 3.08Å; H56-G364 VanDerWaalsContact ND1-N 3.16Å; H56-G364 PolarHBondContact ND1-O 3.31Å
57	V	94.8	Very high	91.8	Very high	15 Å²	15	43 Å²	43	9%	0.091	21%	0.214	C	C	.	.	H	α-helix	trans	-59.8	-45.4	174.3	168.3	0	0	0	0	110.8	K53 I54 L60 N61 L89 L92 F94	K53-V57 WeakPolarHBondContact O-CB 3.16Å; K53-V57 VanDerWaalsContact O-CG2 3.3Å; K53-V57 WeakPolarHBondContact O-CG2 3.48Å; K53-V57 PolarHBondContact O-N 2.99Å; I54-V57 PolarHBondContact O-N 3.26Å; V57-L60 PolarHBondContact O-N 3.39Å; V57-N61 WeakPolarHBondContact O-CB 3.23Å; V57-N61 PolarHBondContact O-N 2.95Å; V57-L89 HydrophobicContact CB-CD2 4.34Å; V57-L89 HydrophobicContact CG1-CD2 4.12Å; V57-L89 HydrophobicContact CG2-CD2 4.2Å; V57-L92 HydrophobicContact CG2-CB 4.28Å; V57-L92 HydrophobicContact CG2-CD1 3.92Å; V57-F94 HydrophobicContact CG1-CD2 3.61Å; V57-F94 HydrophobicContact CG1-CE2 3.7Å; V57-F94 HydrophobicContact CG1-CG 4.25Å; V57-F94 HydrophobicContact CG1-CZ 4.4Å; V57-F94 HydrophobicContact CG2-CB 4.39Å; V57-F94 HydrophobicContact CG2-CD2 4.32Å
58	N	93.4	Very high	92.1	Very high	98 Å²	98	43 Å²	43	52%	0.524	22%	0.218	S	C	.	.	H	α-helix	trans	-62.9	-44.3	178.1	-72.2	-20.6	0	0	0	111.8	I54 N55 H56 K62	I54-N58 WeakPolarHBondContact O-CB 3.19Å; I54-N58 PolarHBondContact O-N 3.3Å; I54-N58 PolarHBondContact O-ND2 2.89Å; N55-N58 PolarHBondContact O-N 3.41Å; H56-N58 PolarHBondContact O-N 3.4Å; N58-K62 VanDerWaalsContact O-CB 3.28Å; N58-K62 WeakPolarHBondContact O-CB 3.29Å; N58-K62 PolarHBondContact O-N 3.45Å
59	Y	94.4	Very high	92.3	Very high	10 Å²	10	50 Å²	50	4%	0.039	25%	0.252	C	S	.	.	H	α-helix	trans	-57.3	-49.6	174.6	169.4	-88.7	0	0	0	111.8	N55 H56 R63 G363 P373 D374	N55-Y59 WeakPolarHBondContact O-CB 3.39Å; N55-Y59 PolarHBondContact O-N 3.23Å; H56-Y59 WeakPolarHBondContact O-CB 3.4Å; H56-Y59 PolarHBondContact O-N 3.4Å; Y59-R63 WeakPolarHBondContact O-CG 3.27Å; Y59-R63 PolarHBondContact O-N 3.44Å; Y59-R63 PolarHBondContact OH-NE 3.39Å; Y59-G363 WeakPolarHBondContact CD2-O 3.19Å; Y59-P373 HydrophobicContact CE2-CB 4.04Å; Y59-P373 HydrophobicContact CE2-CG 4.11Å; Y59-P373 VanDerWaalsContact OH-C 3.25Å; Y59-P373 PolarHBondContact OH-O 2.93Å; Y59-D374 VanDerWaalsContact OH-C 3.23Å; Y59-D374 WeakPolarHBondContact OH-CA 3.42Å; Y59-D374 PolarHBondContact OH-N 3.08Å
60	L	95.7	Very high	92.2	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-65.5	-49.8	-178.2	-73	168.4	0	0	0	111.4	H56 V57 K62 R63 L64 I85 A88 L89 L92 T378	H56-L60 VanDerWaalsContact O-CB 3.32Å; H56-L60 WeakPolarHBondContact O-CB 3.38Å; H56-L60 WeakPolarHBondContact O-CD1 3.3Å; H56-L60 WeakPolarHBondContact O-CG 3.47Å; H56-L60 PolarHBondContact O-N 3.08Å; V57-L60 PolarHBondContact O-N 3.39Å; L60-K62 VanDerWaalsContact C-N 3.35Å; L60-K62 PolarHBondContact O-N 3.14Å; L60-R63 PolarHBondContact O-N 2.78Å; L60-L64 PolarHBondContact O-N 3.05Å; L60-I85 HydrophobicContact CB-CG2 4.04Å; L60-I85 HydrophobicContact CD2-CB 4.36Å; L60-I85 HydrophobicContact CD2-CG1 4.21Å; L60-I85 HydrophobicContact CD2-CG2 4.16Å; L60-I85 WeakPolarHBondContact O-CG2 3.36Å; L60-A88 HydrophobicContact CD1-CB 3.55Å; L60-A88 HydrophobicContact CD2-CB 3.9Å; L60-A88 HydrophobicContact CG-CB 4.4Å; L60-L89 HydrophobicContact CB-CD1 4.43Å; L60-L89 HydrophobicContact CB-CD2 3.75Å; L60-L89 HydrophobicContact CB-CG 3.96Å; L60-L89 HydrophobicContact CD1-CD2 3.95Å; L60-L89 HydrophobicContact CD1-CG 4.07Å; L60-L92 HydrophobicContact CD1-CD1 3.8Å; L60-T378 HydrophobicContact CD1-CG2 4.16Å; L60-T378 HydrophobicContact CD2-CG2 3.81Å; L60-T378 HydrophobicContact CG-CG2 4.18Å
61	N	92.1	Very high	92.1	Very high	51 Å²	51	52.3 Å²	52.3	27%	0.273	27%	0.272	S	S	.	.	H	α-helix	trans	-63.9	-38.5	-178.1	-166.6	33.6	0	0	0	112.1	V57 R63 L64	V57-N61 WeakPolarHBondContact O-CB 3.23Å; V57-N61 PolarHBondContact O-N 2.95Å; N61-R63 PolarHBondContact O-N 3.08Å; N61-L64 PolarHBondContact O-N 3.15Å
62	K	92.2	Very high	92.1	Very high	121 Å²	121	58.3 Å²	58.3	53%	0.526	30%	0.3	S	S	.	.	H	α-helix	trans	-59.4	-46.1	173.8	-178	179.1	178.7	-178.6	0	111.4	N58 L60 L65 N66	N58-K62 VanDerWaalsContact O-CB 3.28Å; N58-K62 WeakPolarHBondContact O-CB 3.29Å; N58-K62 PolarHBondContact O-N 3.45Å; L60-K62 VanDerWaalsContact C-N 3.35Å; L60-K62 PolarHBondContact O-N 3.14Å; K62-L65 PolarHBondContact O-N 2.92Å; K62-N66 PolarHBondContact O-N 3.37Å
63	R	91.6	Very high	92.2	Very high	38 Å²	38	64.1 Å²	64.1	14%	0.143	33%	0.328	C	S	.	.	H	α-helix	trans	-75.3	-21.7	-177.9	-71	-177.1	-179.9	-79.1	5	114	Y59 L60 N61 L65 L67 I85	Y59-R63 WeakPolarHBondContact O-CG 3.27Å; Y59-R63 PolarHBondContact O-N 3.44Å; Y59-R63 PolarHBondContact OH-NE 3.39Å; L60-R63 PolarHBondContact O-N 2.78Å; N61-R63 PolarHBondContact O-N 3.08Å; R63-L65 VanDerWaalsContact C-N 3.27Å; R63-L65 PolarHBondContact O-N 3.23Å; R63-L67 HydrophobicContact CB-CD2 3.87Å; R63-L67 HydrophobicContact CG-CD2 4.29Å; R63-L67 WeakPolarHBondContact O-CD2 3.35Å; R63-L67 WeakPolarHBondContact O-CG 3.47Å; R63-I85 HydrophobicContact CB-CD1 4.01Å
64	L	91.4	Very high	92.3	Very high	29 Å²	29	64.7 Å²	64.7	15%	0.152	33%	0.332	C	S	.	.	H	α-helix	trans	-66.1	-33.6	173.4	-164.5	55.4	0	0	0	112	L60 N61 I85 V86 L89 T100 L104	L60-L64 PolarHBondContact O-N 3.05Å; N61-L64 PolarHBondContact O-N 3.15Å; L64-I85 HydrophobicContact CB-CG2 3.9Å; L64-I85 HydrophobicContact CD1-CB 4.12Å; L64-I85 HydrophobicContact CD1-CD1 4.43Å; L64-I85 HydrophobicContact CD1-CG2 3.78Å; L64-I85 HydrophobicContact CD2-CG2 4.29Å; L64-I85 HydrophobicContact CG-CG2 4.21Å; L64-V86 HydrophobicContact CD1-CG2 4.45Å; L64-L89 HydrophobicContact CD2-CD1 4.3Å; L64-T100 HydrophobicContact CD2-CG2 3.52Å; L64-T100 HydrophobicContact CG-CG2 4.25Å; L64-L104 HydrophobicContact CD1-CD1 4.41Å; L64-L104 HydrophobicContact CD1-CD2 3.83Å; L64-L104 HydrophobicContact CD2-CD1 4.37Å
65	L	86.9	Confident	92.5	Very high	113 Å²	113	66.8 Å²	66.8	59%	0.592	34%	0.343	S	S	*	.	H	α-helix	trans	-97.3	-36.6	-176	-63.4	176.1	0	0	0	113.1	K62 R63	K62-L65 PolarHBondContact O-N 2.92Å; R63-L65 VanDerWaalsContact C-N 3.27Å; R63-L65 PolarHBondContact O-N 3.23Å
66	N	87.4	Confident	92.7	Very high	123 Å²	123	68.5 Å²	68.5	66%	0.658	36%	0.361	S	S	*	.			trans	-145.4	118.1	-176.1	-168.9	7.2	0	0	0	111.2	K62	K62-N66 PolarHBondContact O-N 3.37Å
67	L	90.1	Very high	92.8	Very high	65 Å²	65	70 Å²	70	34%	0.34	37%	0.371	S	S	.	.			trans	-101.2	134	176.7	-67.2	170.8	0	0	0	110	R63 F71 L81	R63-L67 HydrophobicContact CB-CD2 3.87Å; R63-L67 HydrophobicContact CG-CD2 4.29Å; R63-L67 WeakPolarHBondContact O-CD2 3.35Å; R63-L67 WeakPolarHBondContact O-CG 3.47Å; L67-F71 HydrophobicContact CB-CB 4.26Å; L67-F71 HydrophobicContact CD2-CD1 3.89Å; L67-F71 HydrophobicContact CD2-CE1 4.23Å; L67-F71 HydrophobicContact CD2-CG 4.28Å; L67-L81 HydrophobicContact CD1-CD1 3.72Å
68	P	88.4	Confident	93	Very high	58 Å²	58	71.7 Å²	71.7	38%	0.377	38%	0.378	S	S	.	.			trans	-68.7	156.7	174.5	29.2	-32.4	0	0	0	111	S70 F71	P68-S70 PolarHBondContact O-N 3.36Å; P68-F71 HydrophobicContact CG-CD2 3.72Å; P68-F71 HydrophobicContact CG-CE2 4.03Å; P68-F71 WeakPolarHBondContact O-CB 3.37Å; P68-F71 PolarHBondContact O-N 3.46Å
69	M	91.1	Very high	93.2	Very high	147 Å²	147	67 Å²	67	72%	0.724	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-52.1	-26	177.8	-172.9	176.7	-80.1	0	0	113.8	F71 E72	M69-F71 PolarHBondContact O-N 2.91Å; M69-E72 HydrophobicContact CG-CG 4.22Å; M69-E72 VanDerWaalsContact CG-OE1 3.27Å; M69-E72 WeakPolarHBondContact CG-OE1 3.42Å; M69-E72 WeakPolarHBondContact O-CB 3.4Å; M69-E72 VanDerWaalsContact O-CG 3.27Å; M69-E72 WeakPolarHBondContact O-CG 3.35Å; M69-E72 PolarHBondContact O-N 2.69Å
70	S	90.2	Very high	93.4	Very high	81 Å²	81	68.1 Å²	68.1	57%	0.566	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-60.1	-12.5	174.4	54.6	0	0	0	0	114.4	P68 H73	P68-S70 PolarHBondContact O-N 3.36Å; S70-H73 PolarHBondContact O-CE1 3.26Å; S70-H73 PolarHBondContact O-ND1 3.41Å
71	F	91.4	Very high	93.5	Very high	26 Å²	26	68.5 Å²	68.5	11%	0.114	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-92.6	3.2	177.1	-79.3	-117.1	0	0	0	113.5	L67 P68 M69 H73 L74 L81	L67-F71 HydrophobicContact CB-CB 4.26Å; L67-F71 HydrophobicContact CD2-CD1 3.89Å; L67-F71 HydrophobicContact CD2-CE1 4.23Å; L67-F71 HydrophobicContact CD2-CG 4.28Å; P68-F71 HydrophobicContact CG-CD2 3.72Å; P68-F71 HydrophobicContact CG-CE2 4.03Å; P68-F71 WeakPolarHBondContact O-CB 3.37Å; P68-F71 PolarHBondContact O-N 3.46Å; M69-F71 PolarHBondContact O-N 2.91Å; F71-H73 PolarHBondContact O-N 3.28Å; F71-H73 VanDerWaalsContact O-N 3.1Å; F71-L74 HydrophobicContact CD1-CD1 3.92Å; F71-L74 HydrophobicContact CE1-CD1 4.26Å; F71-L74 WeakPolarHBondContact O-CA 3.47Å; F71-L74 WeakPolarHBondContact O-CB 3.33Å; F71-L74 PolarHBondContact O-N 2.86Å; F71-L81 HydrophobicContact CD1-CD1 4.49Å; F71-L81 HydrophobicContact CD1-CD2 4.01Å; F71-L81 HydrophobicContact CE1-CD2 4.05Å
72	E	94.4	Very high	93.8	Very high	133 Å²	133	66.3 Å²	66.3	62%	0.621	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-54.2	-31.3	177.8	-80.8	177.6	175.6	0	0	113.2	M69 L74 D75	M69-E72 HydrophobicContact CG-CG 4.22Å; M69-E72 VanDerWaalsContact CG-OE1 3.27Å; M69-E72 WeakPolarHBondContact CG-OE1 3.42Å; M69-E72 WeakPolarHBondContact O-CB 3.4Å; M69-E72 VanDerWaalsContact O-CG 3.27Å; M69-E72 WeakPolarHBondContact O-CG 3.35Å; M69-E72 PolarHBondContact O-N 2.69Å; E72-L74 PolarHBondContact O-N 2.9Å; E72-L74 VanDerWaalsContact O-N 3.13Å; E72-D75 VanDerWaalsContact O-CB 3.28Å; E72-D75 WeakPolarHBondContact O-CB 3.42Å; E72-D75 PolarHBondContact O-N 3.32Å; E72-D75 VanDerWaalsContact O-N 3.08Å
73	H	95.2	Very high	94.1	Very high	146 Å²	146	60.6 Å²	60.6	68%	0.676	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-65.6	-12.2	175.4	68.8	-82	0	0	0	114.1	S70 F71	S70-H73 PolarHBondContact O-CE1 3.26Å; S70-H73 PolarHBondContact O-ND1 3.41Å; F71-H73 PolarHBondContact O-N 3.28Å; F71-H73 VanDerWaalsContact O-N 3.1Å
74	L	96.4	Very high	94.4	Very high	37 Å²	37	59.8 Å²	59.8	19%	0.194	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-105.6	16	175.1	-63.2	175.7	0	0	0	112.6	F71 E72 A76 S77 Q78 L81	F71-L74 HydrophobicContact CD1-CD1 3.92Å; F71-L74 HydrophobicContact CE1-CD1 4.26Å; F71-L74 WeakPolarHBondContact O-CA 3.47Å; F71-L74 WeakPolarHBondContact O-CB 3.33Å; F71-L74 PolarHBondContact O-N 2.86Å; E72-L74 PolarHBondContact O-N 2.9Å; E72-L74 VanDerWaalsContact O-N 3.13Å; L74-A76 PolarHBondContact O-N 3.48Å; L74-S77 CarbonylContact O-C 3.54Å; L74-S77 WeakPolarHBondContact O-CA 3.26Å; L74-S77 PolarHBondContact O-N 3Å; L74-Q78 PolarHBondContact O-N 3.09Å; L74-L81 HydrophobicContact CB-CD1 3.96Å; L74-L81 HydrophobicContact CD1-CD1 4.4Å; L74-L81 HydrophobicContact CD1-CD2 4.01Å; L74-L81 HydrophobicContact CD1-CG 4.44Å
75	D	96.7	Very high	94.7	Very high	87 Å²	87	58.5 Å²	58.5	47%	0.465	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-61.8	-27	177.7	-172	50.4	0	0	0	113.1	E72 S77 Q78 G120 Q124	E72-D75 VanDerWaalsContact O-CB 3.28Å; E72-D75 WeakPolarHBondContact O-CB 3.42Å; E72-D75 PolarHBondContact O-N 3.32Å; E72-D75 VanDerWaalsContact O-N 3.08Å; D75-S77 VanDerWaalsContact C-N 3.25Å; D75-S77 PolarHBondContact O-N 3.28Å; D75-Q78 PolarHBondContact OD1-NE2 2.87Å; D75-G120 VanDerWaalsContact O-O 3.05Å; D75-Q124 PolarHBondContact O-NE2 2.88Å
76	A	97.8	Very high	95.3	Very high	60 Å²	60	53.1 Å²	53.1	50%	0.496	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-88	14.8	171.2	0	0	0	0	0	113.4	L74 G120	L74-A76 PolarHBondContact O-N 3.48Å; A76-G120 VanDerWaalsContact C-CA 3.44Å; A76-G120 CarbonylContact C-O 3.56Å; A76-G120 VanDerWaalsContact O-CA 3.26Å; A76-G120 WeakPolarHBondContact O-CA 3.45Å
77	S	98.1	Very high	95.8	Very high	32 Å²	32	47.2 Å²	47.2	22%	0.224	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-141.3	28	-174.9	-69.7	0	0	0	0	111.9	L74 D75 W80 L81 G120	L74-S77 CarbonylContact O-C 3.54Å; L74-S77 WeakPolarHBondContact O-CA 3.26Å; L74-S77 PolarHBondContact O-N 3Å; D75-S77 VanDerWaalsContact C-N 3.25Å; D75-S77 PolarHBondContact O-N 3.28Å; S77-W80 VanDerWaalsContact O-CB 3.29Å; S77-W80 WeakPolarHBondContact O-CB 3.22Å; S77-W80 PolarHBondContact O-N 2.82Å; S77-W80 VanDerWaalsContact O-N 3.11Å; S77-L81 PolarHBondContact O-N 3.04Å; S77-G120 PolarHBondContact N-O 3.49Å
78	Q	97.4	Very high	96.2	Very high	51 Å²	51	44.1 Å²	44.1	24%	0.238	24%	0.238	C	C	.	.	H	α-helix	trans	-64.5	-39.1	-179.6	-57.5	-178.9	17.6	0	0	113.2	L74 D75 W80 L81 A82 F107 G120	L74-Q78 PolarHBondContact O-N 3.09Å; D75-Q78 PolarHBondContact OD1-NE2 2.87Å; Q78-W80 PolarHBondContact O-N 2.82Å; Q78-L81 WeakPolarHBondContact O-CB 3.35Å; Q78-L81 PolarHBondContact O-N 2.54Å; Q78-L81 VanDerWaalsContact O-N 3.13Å; Q78-A82 PolarHBondContact O-N 3.22Å; Q78-F107 HydrophobicContact CB-CE1 4.3Å; Q78-F107 HydrophobicContact CB-CE2 4.37Å; Q78-F107 HydrophobicContact CB-CZ 3.52Å; Q78-F107 VanDerWaalsContact OE1-CZ 3.26Å; Q78-G120 VanDerWaalsContact CB-O 3.27Å; Q78-G120 WeakPolarHBondContact CB-O 3.45Å; Q78-G120 WeakPolarHBondContact CG-O 3.37Å; Q78-G120 PolarHBondContact N-O 3.5Å
79	P	98.2	Very high	96.6	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-62.1	-29.7	170.8	-28.2	37.7	0	0	0	114.3	Y83 L108 G119 G120 T130 A134	P79-Y83 WeakPolarHBondContact O-CB 3.29Å; P79-Y83 PolarHBondContact O-N 3.42Å; P79-L108 HydrophobicContact CB-CD2 3.99Å; P79-L108 HydrophobicContact CG-CD2 4.19Å; P79-G119 VanDerWaalsContact CG-O 3.27Å; P79-G119 WeakPolarHBondContact CG-O 3.48Å; P79-G120 WeakPolarHBondContact CD-O 3.18Å; P79-T130 WeakPolarHBondContact CB-O 3.36Å; P79-A134 HydrophobicContact CB-CB 4.11Å
80	W	98.5	Very high	96.9	Very high	32 Å²	32	36.6 Å²	36.6	12%	0.121	19%	0.194	C	C	.	.	H	α-helix	trans	-66.2	-44.4	171.5	-83.2	117.8	0	0	0	111.5	S77 Q78 A82 Y83 W84 A129 Y132 Y380	S77-W80 VanDerWaalsContact O-CB 3.29Å; S77-W80 WeakPolarHBondContact O-CB 3.22Å; S77-W80 PolarHBondContact O-N 2.82Å; S77-W80 VanDerWaalsContact O-N 3.11Å; Q78-W80 PolarHBondContact O-N 2.82Å; W80-A82 VanDerWaalsContact C-N 3.33Å; W80-A82 PolarHBondContact O-N 3.33Å; W80-Y83 AromaticContact CE3-CD1 3.77Å; W80-Y83 HydrophobicContact CE3-CD1 3.77Å; W80-Y83 HydrophobicContact CE3-CE1 4.35Å; W80-Y83 AromaticContact CZ3-CD1 3.76Å; W80-Y83 HydrophobicContact CZ3-CD1 3.76Å; W80-Y83 AromaticContact CZ3-CE1 3.9Å; W80-Y83 HydrophobicContact CZ3-CE1 3.9Å; W80-Y83 PolarHBondContact O-N 2.93Å; W80-W84 HydrophobicContact CB-CD2 4.2Å; W80-W84 HydrophobicContact CB-CE3 4.2Å; W80-W84 HydrophobicContact CB-CH2 3.67Å; W80-W84 HydrophobicContact CB-CZ2 3.64Å; W80-W84 HydrophobicContact CB-CZ3 3.95Å; W80-W84 AromaticContact CD2-CZ2 3.83Å; W80-W84 HydrophobicContact CD2-CZ2 3.83Å; W80-W84 AromaticContact CE3-CE2 3.56Å; W80-W84 AromaticContact CE3-CZ2 3.73Å; W80-W84 HydrophobicContact CE3-CZ2 3.73Å; W80-W84 AromaticContact CE3-NE1 3.24Å; W80-W84 HydrophobicContact CG-CH2 4.17Å; W80-W84 AromaticContact CG-CZ2 3.85Å; W80-W84 HydrophobicContact CG-CZ2 3.85Å; W80-W84 AromaticContact CZ3-NE1 3.66Å; W80-W84 WeakPolarHBondContact O-CB 3.49Å; W80-W84 PolarHBondContact O-N 3.23Å; W80-A129 VanDerWaalsContact CE2-O 3.25Å; W80-A129 HydrophobicContact CZ2-CB 3.91Å; W80-A129 WeakPolarHBondContact CZ2-O 3.29Å; W80-A129 PolarHBondContact NE1-O 2.81Å; W80-Y132 AromaticContact CH2-CD1 3.26Å; W80-Y132 HydrophobicContact CH2-CD1 3.26Å; W80-Y132 AromaticContact CH2-CE1 3.48Å; W80-Y132 HydrophobicContact CH2-CE1 3.48Å; W80-Y132 VanDerWaalsContact CH2-CE1 3.48Å; W80-Y132 HydrophobicContact CH2-CG 4.41Å; W80-Y132 AromaticContact CZ2-CD1 3.95Å; W80-Y132 HydrophobicContact CZ2-CD1 3.95Å; W80-Y132 AromaticContact CZ3-CD1 3.67Å; W80-Y132 HydrophobicContact CZ3-CD1 3.67Å; W80-Y132 AromaticContact CZ3-CE1 3.63Å; W80-Y132 HydrophobicContact CZ3-CE1 3.63Å; W80-Y380 WeakPolarHBondContact CZ3-OH 3.21Å
81	L	97.8	Very high	97.3	Very high	8 Å²	8	32.7 Å²	32.7	4%	0.042	17%	0.167	C	C	.	.	H	α-helix	trans	-59.2	-44.7	175.2	-73	163	0	0	0	111.5	L67 F71 L74 S77 Q78 W84 I85 A375	L67-L81 HydrophobicContact CD1-CD1 3.72Å; F71-L81 HydrophobicContact CD1-CD1 4.49Å; F71-L81 HydrophobicContact CD1-CD2 4.01Å; F71-L81 HydrophobicContact CE1-CD2 4.05Å; L74-L81 HydrophobicContact CB-CD1 3.96Å; L74-L81 HydrophobicContact CD1-CD1 4.4Å; L74-L81 HydrophobicContact CD1-CD2 4.01Å; L74-L81 HydrophobicContact CD1-CG 4.44Å; S77-L81 PolarHBondContact O-N 3.04Å; Q78-L81 WeakPolarHBondContact O-CB 3.35Å; Q78-L81 PolarHBondContact O-N 2.54Å; Q78-L81 VanDerWaalsContact O-N 3.13Å; L81-W84 HydrophobicContact CD2-CE3 4.14Å; L81-W84 HydrophobicContact CD2-CZ3 4.24Å; L81-W84 HydrophobicContact CG-CE3 4.46Å; L81-W84 HydrophobicContact CG-CZ3 4.43Å; L81-I85 WeakPolarHBondContact O-CB 3.48Å; L81-I85 WeakPolarHBondContact O-CD1 3.24Å; L81-I85 WeakPolarHBondContact O-CG1 3.16Å; L81-I85 PolarHBondContact O-N 2.98Å; L81-A375 HydrophobicContact CD2-CB 4.21Å
82	A	97.9	Very high	97.5	Very high	6 Å²	6	31.5 Å²	31.5	5%	0.05	16%	0.162	C	C	.	.	H	α-helix	trans	-58.1	-51.2	175.6	0	0	0	0	0	111.4	Q78 W80 I85 V86 L104 F107 L108	Q78-A82 PolarHBondContact O-N 3.22Å; W80-A82 VanDerWaalsContact C-N 3.33Å; W80-A82 PolarHBondContact O-N 3.33Å; A82-I85 PolarHBondContact O-N 3.41Å; A82-V86 WeakPolarHBondContact O-CB 3.31Å; A82-V86 VanDerWaalsContact O-CG2 3.28Å; A82-V86 WeakPolarHBondContact O-CG2 3.33Å; A82-V86 PolarHBondContact O-N 3Å; A82-L104 HydrophobicContact CB-CD2 4.27Å; A82-F107 HydrophobicContact CB-CE1 4.49Å; A82-L108 HydrophobicContact CB-CD2 4.44Å
83	Y	98.7	Very high	97.5	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-60.1	-53	177.4	166.4	-115.8	0	0	0	113	P79 W80 I85 V86 H87 Y132 G133 N136 N430 I431	P79-Y83 WeakPolarHBondContact O-CB 3.29Å; P79-Y83 PolarHBondContact O-N 3.42Å; W80-Y83 AromaticContact CE3-CD1 3.77Å; W80-Y83 HydrophobicContact CE3-CD1 3.77Å; W80-Y83 HydrophobicContact CE3-CE1 4.35Å; W80-Y83 AromaticContact CZ3-CD1 3.76Å; W80-Y83 HydrophobicContact CZ3-CD1 3.76Å; W80-Y83 AromaticContact CZ3-CE1 3.9Å; W80-Y83 HydrophobicContact CZ3-CE1 3.9Å; W80-Y83 PolarHBondContact O-N 2.93Å; Y83-I85 PolarHBondContact O-N 3.46Å; Y83-V86 PolarHBondContact O-N 3.45Å; Y83-H87 HydrophobicContact CD2-CB 4.07Å; Y83-H87 HydrophobicContact CE2-CB 3.74Å; Y83-H87 AromaticContact CE2-CG 3.99Å; Y83-H87 WeakPolarHBondContact O-CB 3.29Å; Y83-H87 PolarHBondContact O-N 3.3Å; Y83-Y132 HydrophobicContact CE1-CE1 4.1Å; Y83-G133 WeakPolarHBondContact CB-O 3.17Å; Y83-N136 HydrophobicContact CD2-CB 3.57Å; Y83-N136 HydrophobicContact CE2-CB 3.62Å; Y83-N136 HydrophobicContact CG-CB 4.35Å; Y83-N430 WeakPolarHBondContact OH-CB 3.16Å; Y83-N430 PolarHBondContact OH-ND2 3.21Å; Y83-N430 PolarHBondContact OH-O 3.47Å; Y83-I431 HydrophobicContact CE2-CG2 4.17Å
84	W	98.7	Very high	97.4	Very high	21 Å²	21	22.2 Å²	22.2	8%	0.08	12%	0.119	C	C	.	.	H	α-helix	trans	-57.3	-40.9	-177.8	-67.1	-29.5	0	0	0	111.5	W80 L81 A88 A375 Y376 C379 Y380	W80-W84 HydrophobicContact CB-CD2 4.2Å; W80-W84 HydrophobicContact CB-CE3 4.2Å; W80-W84 HydrophobicContact CB-CH2 3.67Å; W80-W84 HydrophobicContact CB-CZ2 3.64Å; W80-W84 HydrophobicContact CB-CZ3 3.95Å; W80-W84 AromaticContact CD2-CZ2 3.83Å; W80-W84 HydrophobicContact CD2-CZ2 3.83Å; W80-W84 AromaticContact CE3-CE2 3.56Å; W80-W84 AromaticContact CE3-CZ2 3.73Å; W80-W84 HydrophobicContact CE3-CZ2 3.73Å; W80-W84 AromaticContact CE3-NE1 3.24Å; W80-W84 HydrophobicContact CG-CH2 4.17Å; W80-W84 AromaticContact CG-CZ2 3.85Å; W80-W84 HydrophobicContact CG-CZ2 3.85Å; W80-W84 AromaticContact CZ3-NE1 3.66Å; W80-W84 WeakPolarHBondContact O-CB 3.49Å; W80-W84 PolarHBondContact O-N 3.23Å; L81-W84 HydrophobicContact CD2-CE3 4.14Å; L81-W84 HydrophobicContact CD2-CZ3 4.24Å; L81-W84 HydrophobicContact CG-CE3 4.46Å; L81-W84 HydrophobicContact CG-CZ3 4.43Å; W84-A88 WeakPolarHBondContact O-CB 3.41Å; W84-A88 PolarHBondContact O-N 3.42Å; W84-A88 VanDerWaalsContact O-N 3.11Å; W84-A375 HydrophobicContact CB-CB 4.12Å; W84-A375 HydrophobicContact CE3-CB 4.22Å; W84-Y376 AromaticContact CE2-CD2 3.86Å; W84-Y376 HydrophobicContact CH2-CD2 4.19Å; W84-Y376 AromaticContact CZ2-CD2 3.61Å; W84-Y376 HydrophobicContact CZ2-CD2 3.61Å; W84-Y376 HydrophobicContact CZ2-CG 4.37Å; W84-C379 HydrophobicContact CB-CB 3.77Å; W84-C379 HydrophobicContact CG-CB 4.07Å; W84-Y380 AromaticContact CD1-CE2 3.98Å; W84-Y380 AromaticContact NE1-CE2 3.47Å; W84-Y380 AromaticContact NE1-CZ 3.83Å
85	I	98.2	Very high	97.2	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.01	14%	0.137	C	C	.	.	H	α-helix	trans	-73.3	-48.9	-178.7	-64.8	168.4	0	0	0	111.2	L60 R63 L64 L81 A82 Y83 A88 L89 A375	L60-I85 HydrophobicContact CB-CG2 4.04Å; L60-I85 HydrophobicContact CD2-CB 4.36Å; L60-I85 HydrophobicContact CD2-CG1 4.21Å; L60-I85 HydrophobicContact CD2-CG2 4.16Å; L60-I85 WeakPolarHBondContact O-CG2 3.36Å; R63-I85 HydrophobicContact CB-CD1 4.01Å; L64-I85 HydrophobicContact CB-CG2 3.9Å; L64-I85 HydrophobicContact CD1-CB 4.12Å; L64-I85 HydrophobicContact CD1-CD1 4.43Å; L64-I85 HydrophobicContact CD1-CG2 3.78Å; L64-I85 HydrophobicContact CD2-CG2 4.29Å; L64-I85 HydrophobicContact CG-CG2 4.21Å; L81-I85 WeakPolarHBondContact O-CB 3.48Å; L81-I85 WeakPolarHBondContact O-CD1 3.24Å; L81-I85 WeakPolarHBondContact O-CG1 3.16Å; L81-I85 PolarHBondContact O-N 2.98Å; A82-I85 PolarHBondContact O-N 3.41Å; Y83-I85 PolarHBondContact O-N 3.46Å; I85-A88 PolarHBondContact O-N 2.83Å; I85-L89 HydrophobicContact CG2-CD1 4.04Å; I85-L89 WeakPolarHBondContact O-CB 3.41Å; I85-L89 VanDerWaalsContact O-CG 3.28Å; I85-L89 WeakPolarHBondContact O-CG 3.42Å; I85-L89 PolarHBondContact O-N 3.46Å; I85-A375 HydrophobicContact CG1-CB 3.97Å
86	V	98.3	Very high	97.1	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-63.1	-46.9	-179.9	170.5	0	0	0	0	110.8	L64 A82 Y83 A88 L89 R90 I96 L104 L141	L64-V86 HydrophobicContact CD1-CG2 4.45Å; A82-V86 WeakPolarHBondContact O-CB 3.31Å; A82-V86 VanDerWaalsContact O-CG2 3.28Å; A82-V86 WeakPolarHBondContact O-CG2 3.33Å; A82-V86 PolarHBondContact O-N 3Å; Y83-V86 PolarHBondContact O-N 3.45Å; V86-A88 PolarHBondContact O-N 2.65Å; V86-L89 WeakPolarHBondContact O-CB 3.37Å; V86-L89 PolarHBondContact O-N 2.96Å; V86-R90 HydrophobicContact CG1-CG 4.26Å; V86-R90 WeakPolarHBondContact O-CG 3.25Å; V86-R90 PolarHBondContact O-N 2.88Å; V86-I96 HydrophobicContact CG1-CD1 4.47Å; V86-I96 HydrophobicContact CG1-CG1 4.34Å; V86-L104 HydrophobicContact CG2-CD1 3.65Å; V86-L141 HydrophobicContact CG1-CD2 4.23Å
87	H	98.6	Very high	97	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-63.2	-44.1	179.3	-174.3	47.9	0	0	0	111.8	Y83 L89 R90 L91 S383 N430	Y83-H87 HydrophobicContact CD2-CB 4.07Å; Y83-H87 HydrophobicContact CE2-CB 3.74Å; Y83-H87 AromaticContact CE2-CG 3.99Å; Y83-H87 WeakPolarHBondContact O-CB 3.29Å; Y83-H87 PolarHBondContact O-N 3.3Å; H87-L89 VanDerWaalsContact C-N 3.32Å; H87-L89 PolarHBondContact O-N 3.15Å; H87-R90 WeakPolarHBondContact O-CB 3.12Å; H87-R90 PolarHBondContact O-N 3.16Å; H87-R90 VanDerWaalsContact O-N 3.12Å; H87-L91 WeakPolarHBondContact O-CG 3.44Å; H87-L91 PolarHBondContact O-N 3.32Å; H87-S383 PolarHBondContact NE2-OG 2.97Å; H87-N430 PolarHBondContact CD2-O 2.63Å; H87-N430 PolarHBondContact CE1-O 2.93Å; H87-N430 VanDerWaalsContact CE1-O 3.27Å; H87-N430 PolarHBondContact NE2-O 3.49Å; H87-N430 VanDerWaalsContact NE2-O 3.12Å; H87-N430 PolarHBondContact NE2-OD1 2.97Å
88	A	98.5	Very high	96.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-59.5	-41.5	175	0	0	0	0	0	112.5	L60 W84 I85 V86 L91 L92 T378 L382	L60-A88 HydrophobicContact CD1-CB 3.55Å; L60-A88 HydrophobicContact CD2-CB 3.9Å; L60-A88 HydrophobicContact CG-CB 4.4Å; W84-A88 WeakPolarHBondContact O-CB 3.41Å; W84-A88 PolarHBondContact O-N 3.42Å; W84-A88 VanDerWaalsContact O-N 3.11Å; I85-A88 PolarHBondContact O-N 2.83Å; V86-A88 PolarHBondContact O-N 2.65Å; A88-L91 PolarHBondContact O-N 3.01Å; A88-L92 WeakPolarHBondContact O-CD1 3.4Å; A88-L92 VanDerWaalsContact O-CG 3.25Å; A88-L92 WeakPolarHBondContact O-CG 3.42Å; A88-L92 PolarHBondContact O-N 3.39Å; A88-L92 VanDerWaalsContact O-N 3.14Å; A88-T378 HydrophobicContact CB-CG2 4.32Å; A88-L382 HydrophobicContact CB-CD1 3.93Å
89	L	97.5	Very high	96.8	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-62.9	-43.1	174.1	-73	170.8	0	0	0	111.5	V57 L60 L64 I85 V86 H87 L92 N93 F94 I96	V57-L89 HydrophobicContact CB-CD2 4.34Å; V57-L89 HydrophobicContact CG1-CD2 4.12Å; V57-L89 HydrophobicContact CG2-CD2 4.2Å; L60-L89 HydrophobicContact CB-CD1 4.43Å; L60-L89 HydrophobicContact CB-CD2 3.75Å; L60-L89 HydrophobicContact CB-CG 3.96Å; L60-L89 HydrophobicContact CD1-CD2 3.95Å; L60-L89 HydrophobicContact CD1-CG 4.07Å; L64-L89 HydrophobicContact CD2-CD1 4.3Å; I85-L89 HydrophobicContact CG2-CD1 4.04Å; I85-L89 WeakPolarHBondContact O-CB 3.41Å; I85-L89 VanDerWaalsContact O-CG 3.28Å; I85-L89 WeakPolarHBondContact O-CG 3.42Å; I85-L89 PolarHBondContact O-N 3.46Å; V86-L89 WeakPolarHBondContact O-CB 3.37Å; V86-L89 PolarHBondContact O-N 2.96Å; H87-L89 VanDerWaalsContact C-N 3.32Å; H87-L89 PolarHBondContact O-N 3.15Å; L89-L92 CarbonylContact O-C 3.48Å; L89-L92 WeakPolarHBondContact O-CB 3.48Å; L89-L92 PolarHBondContact O-N 3.49Å; L89-N93 PolarHBondContact O-N 3.46Å; L89-F94 HydrophobicContact CB-CB 4.2Å; L89-F94 HydrophobicContact CB-CD1 4.08Å; L89-F94 HydrophobicContact CD1-CD1 4.25Å; L89-F94 HydrophobicContact CD1-CE1 4.47Å; L89-F94 HydrophobicContact CD2-CB 4.23Å; L89-F94 HydrophobicContact CD2-CD1 3.85Å; L89-F94 HydrophobicContact CD2-CE1 4.4Å; L89-F94 HydrophobicContact CD2-CG 4.05Å; L89-F94 HydrophobicContact CG-CD1 4.28Å; L89-F94 VanDerWaalsContact O-CB 3.27Å; L89-F94 WeakPolarHBondContact O-CB 3.4Å; L89-F94 PolarHBondContact O-N 3.16Å; L89-I96 HydrophobicContact CB-CD1 3.74Å; L89-I96 HydrophobicContact CD1-CD1 3.56Å; L89-I96 HydrophobicContact CG-CD1 4.3Å
90	R	96.8	Very high	96.7	Very high	45 Å²	45	30.5 Å²	30.5	17%	0.17	15%	0.152	C	C	.	.	H	α-helix	trans	-62.3	-43.3	177.4	-69	-71.5	-58.6	175.6	6.3	112.2	V86 H87 L92 N93 V423 V432 D434	V86-R90 HydrophobicContact CG1-CG 4.26Å; V86-R90 WeakPolarHBondContact O-CG 3.25Å; V86-R90 PolarHBondContact O-N 2.88Å; H87-R90 WeakPolarHBondContact O-CB 3.12Å; H87-R90 PolarHBondContact O-N 3.16Å; H87-R90 VanDerWaalsContact O-N 3.12Å; R90-L92 VanDerWaalsContact C-N 3.26Å; R90-L92 PolarHBondContact O-N 2.87Å; R90-N93 WeakPolarHBondContact O-CA 3.49Å; R90-N93 PolarHBondContact O-N 3.3Å; R90-V423 WeakPolarHBondContact O-CG2 3.21Å; R90-V432 HydrophobicContact CB-CG2 3.97Å; R90-D434 IonicContact CZ-OD1 3.91Å; R90-D434 IonicContact CZ-OD2 2.63Å; R90-D434 IonicContact NH2-OD1 2.7Å; R90-D434 PolarHBondContact NH2-OD1 3.27Å; R90-D434 IonicContact NH2-OD2 2.67Å; R90-D434 PolarHBondContact NH2-OD2 2.91Å
91	L	97.5	Very high	96.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-60.7	-36	174.2	-69.7	172.7	0	0	0	112.4	H87 A88 N93 L382 L422 V423 L425 V432	H87-L91 WeakPolarHBondContact O-CG 3.44Å; H87-L91 PolarHBondContact O-N 3.32Å; A88-L91 PolarHBondContact O-N 3.01Å; L91-N93 PolarHBondContact O-N 2.89Å; L91-L382 HydrophobicContact CD1-CB 3.86Å; L91-L422 WeakPolarHBondContact O-CD2 3.29Å; L91-V423 WeakPolarHBondContact CD2-O 3.05Å; L91-V423 PolarHBondContact O-N 2.81Å; L91-L425 HydrophobicContact CD1-CD2 4.47Å; L91-L425 HydrophobicContact CD2-CB 4.17Å; L91-L425 HydrophobicContact CD2-CD2 3.75Å; L91-V432 HydrophobicContact CD2-CG2 4.33Å
92	L	96.3	Very high	96.6	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	6.9	174.2	-66.2	166.4	0	0	0	113.2	L51 K53 H56 V57 L60 A88 L89 R90 F94 L382 L422	L51-L92 HydrophobicContact CD2-CD2 4.17Å; K53-L92 HydrophobicContact CB-CD2 4.17Å; K53-L92 HydrophobicContact CD-CD2 4.36Å; K53-L92 HydrophobicContact CG-CD2 3.8Å; H56-L92 HydrophobicContact CB-CD1 3.99Å; V57-L92 HydrophobicContact CG2-CB 4.28Å; V57-L92 HydrophobicContact CG2-CD1 3.92Å; L60-L92 HydrophobicContact CD1-CD1 3.8Å; A88-L92 WeakPolarHBondContact O-CD1 3.4Å; A88-L92 VanDerWaalsContact O-CG 3.25Å; A88-L92 WeakPolarHBondContact O-CG 3.42Å; A88-L92 PolarHBondContact O-N 3.39Å; A88-L92 VanDerWaalsContact O-N 3.14Å; L89-L92 CarbonylContact O-C 3.48Å; L89-L92 WeakPolarHBondContact O-CB 3.48Å; L89-L92 PolarHBondContact O-N 3.49Å; R90-L92 VanDerWaalsContact C-N 3.26Å; R90-L92 PolarHBondContact O-N 2.87Å; L92-F94 PolarHBondContact O-N 3.35Å; L92-L382 HydrophobicContact CD1-CD1 3.97Å; L92-L382 HydrophobicContact CD2-CD1 4.28Å; L92-L382 HydrophobicContact CD2-CD2 4.13Å; L92-L382 HydrophobicContact CG-CD1 4Å; L92-L422 HydrophobicContact CD2-CD2 3.89Å
93	N	94	Very high	96.5	Very high	29 Å²	29	37 Å²	37	16%	0.155	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	32	-175.4	-156.5	6.6	0	0	0	112.9	L89 R90 L91 V423 P469 A470 L471	L89-N93 PolarHBondContact O-N 3.46Å; R90-N93 WeakPolarHBondContact O-CA 3.49Å; R90-N93 PolarHBondContact O-N 3.3Å; L91-N93 PolarHBondContact O-N 2.89Å; N93-V423 HydrophobicContact CB-CG2 3.68Å; N93-P469 PolarHBondContact ND2-O 3.08Å; N93-A470 WeakPolarHBondContact ND2-CA 3.12Å; N93-L471 PolarHBondContact ND2-N 3.35Å
94	F	93.8	Very high	96.5	Very high	54 Å²	54	37.6 Å²	37.6	24%	0.237	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-89.7	126.9	176.6	-178.1	-91	0	0	0	110.7	V57 L89 L92 I96	V57-F94 HydrophobicContact CG1-CD2 3.61Å; V57-F94 HydrophobicContact CG1-CE2 3.7Å; V57-F94 HydrophobicContact CG1-CG 4.25Å; V57-F94 HydrophobicContact CG1-CZ 4.4Å; V57-F94 HydrophobicContact CG2-CB 4.39Å; V57-F94 HydrophobicContact CG2-CD2 4.32Å; L89-F94 HydrophobicContact CB-CB 4.2Å; L89-F94 HydrophobicContact CB-CD1 4.08Å; L89-F94 HydrophobicContact CD1-CD1 4.25Å; L89-F94 HydrophobicContact CD1-CE1 4.47Å; L89-F94 HydrophobicContact CD2-CB 4.23Å; L89-F94 HydrophobicContact CD2-CD1 3.85Å; L89-F94 HydrophobicContact CD2-CE1 4.4Å; L89-F94 HydrophobicContact CD2-CG 4.05Å; L89-F94 HydrophobicContact CG-CD1 4.28Å; L89-F94 VanDerWaalsContact O-CB 3.27Å; L89-F94 WeakPolarHBondContact O-CB 3.4Å; L89-F94 PolarHBondContact O-N 3.16Å; L92-F94 PolarHBondContact O-N 3.35Å; F94-I96 HydrophobicContact CD1-CD1 4.11Å; F94-I96 HydrophobicContact CE1-CD1 4.44Å; F94-I96 PolarHBondContact O-N 2.81Å
95	V	92.3	Very high	96.5	Very high	94 Å²	94	37.3 Å²	37.3	57%	0.57	19%	0.19	S	C	*	.	P	Polyproline II helix	trans	-80.6	117.4	176.3	-178.7	0	0	0	0	109.4	P97 A470	V95-P97 WeakPolarHBondContact O-CD 3.48Å; V95-A470 HydrophobicContact CG2-CB 4.32Å
96	I	94.6	Very high	96.4	Very high	16 Å²	16	41.1 Å²	41.1	8%	0.082	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-66	123.4	176.3	-50.8	-61.6	0	0	0	108.9	V86 L89 F94 T100 S101 L141	V86-I96 HydrophobicContact CG1-CD1 4.47Å; V86-I96 HydrophobicContact CG1-CG1 4.34Å; L89-I96 HydrophobicContact CB-CD1 3.74Å; L89-I96 HydrophobicContact CD1-CD1 3.56Å; L89-I96 HydrophobicContact CG-CD1 4.3Å; F94-I96 HydrophobicContact CD1-CD1 4.11Å; F94-I96 HydrophobicContact CE1-CD1 4.44Å; F94-I96 PolarHBondContact O-N 2.81Å; I96-T100 HydrophobicContact CG2-CG2 4.08Å; I96-S101 WeakPolarHBondContact CG2-OG 3.45Å; I96-L141 HydrophobicContact CG2-CD2 4.39Å
97	P	95	Very high	96.4	Very high	58 Å²	58	43.5 Å²	43.5	38%	0.377	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-57.2	145.1	177.2	-26	34.8	0	0	0	112	V95 E99 T100 S101	V95-P97 WeakPolarHBondContact O-CD 3.48Å; P97-E99 VanDerWaalsContact C-N 3.31Å; P97-E99 PolarHBondContact O-N 2.97Å; P97-T100 WeakPolarHBondContact O-CB 3.41Å; P97-T100 PolarHBondContact O-N 3.21Å; P97-T100 VanDerWaalsContact O-N 3.12Å; P97-S101 PolarHBondContact O-N 2.96Å; P97-S101 PolarHBondContact O-OG 3.26Å
98	E	95.6	Very high	96.4	Very high	126 Å²	126	43.5 Å²	43.5	59%	0.589	23%	0.227	S	C	*	.	H	α-helix	trans	-58.4	-42.4	-179.5	177.6	162.7	-144.5	0	0	112.1	T100 S101 V102 R143	E98-T100 VanDerWaalsContact C-N 3.3Å; E98-T100 PolarHBondContact O-N 3.47Å; E98-S101 WeakPolarHBondContact O-CB 3.29Å; E98-S101 PolarHBondContact O-N 2.89Å; E98-S101 VanDerWaalsContact O-N 3.12Å; E98-V102 HydrophobicContact CG-CG2 4.47Å; E98-V102 WeakPolarHBondContact O-CG2 3.37Å; E98-V102 PolarHBondContact O-N 2.97Å; E98-R143 IonicContact OE1-CZ 3.78Å; E98-R143 IonicContact OE1-NH1 2.66Å; E98-R143 PolarHBondContact OE1-NH1 3.16Å; E98-R143 IonicContact OE1-NH2 3.6Å
99	E	95.7	Very high	96.3	Very high	132 Å²	132	45.3 Å²	45.3	62%	0.617	24%	0.242	S	C	*	.	H	α-helix	trans	-58.2	-42.7	176.7	-171.6	-169.2	159.1	0	0	112.2	P97 K103	P97-E99 VanDerWaalsContact C-N 3.31Å; P97-E99 PolarHBondContact O-N 2.97Å; E99-K103 WeakPolarHBondContact O-CG 3.48Å; E99-K103 PolarHBondContact O-N 3.17Å; E99-K103 WeakPolarHBondContact OE1-CE 3.45Å; E99-K103 IonicContact OE1-NZ 2.95Å; E99-K103 PolarHBondContact OE1-NZ 3.36Å
100	T	95.9	Very high	96.4	Very high	15 Å²	15	48.2 Å²	48.2	9%	0.092	26%	0.262	C	S	.	.	H	α-helix	trans	-66.3	-42.1	176.5	-56.2	0	0	0	0	110.8	L64 I96 P97 E98 V102 K103 L104	L64-T100 HydrophobicContact CD2-CG2 3.52Å; L64-T100 HydrophobicContact CG-CG2 4.25Å; I96-T100 HydrophobicContact CG2-CG2 4.08Å; P97-T100 WeakPolarHBondContact O-CB 3.41Å; P97-T100 PolarHBondContact O-N 3.21Å; P97-T100 VanDerWaalsContact O-N 3.12Å; E98-T100 VanDerWaalsContact C-N 3.3Å; E98-T100 PolarHBondContact O-N 3.47Å; T100-V102 PolarHBondContact O-N 2.84Å; T100-K103 PolarHBondContact O-N 2.96Å; T100-L104 HydrophobicContact CG2-CD1 4.12Å; T100-L104 HydrophobicContact CG2-CG 4.49Å; T100-L104 WeakPolarHBondContact O-CG 3.22Å; T100-L104 PolarHBondContact O-N 2.62Å
101	S	96.9	Very high	96.4	Very high	6 Å²	6	46.2 Å²	46.2	4%	0.042	26%	0.255	C	S	.	.	H	α-helix	trans	-59.8	-46.1	177.8	-56.7	0	0	0	0	111.3	I96 P97 E98 K103 L104 I105	I96-S101 WeakPolarHBondContact CG2-OG 3.45Å; P97-S101 PolarHBondContact O-N 2.96Å; P97-S101 PolarHBondContact O-OG 3.26Å; E98-S101 WeakPolarHBondContact O-CB 3.29Å; E98-S101 PolarHBondContact O-N 2.89Å; E98-S101 VanDerWaalsContact O-N 3.12Å; S101-K103 VanDerWaalsContact C-N 3.34Å; S101-K103 PolarHBondContact O-N 3.29Å; S101-L104 PolarHBondContact O-N 2.7Å; S101-I105 VanDerWaalsContact O-CG1 3.23Å; S101-I105 WeakPolarHBondContact O-CG1 3.32Å; S101-I105 PolarHBondContact O-N 2.86Å
102	V	97.5	Very high	96.4	Very high	70 Å²	70	48.6 Å²	48.6	42%	0.424	27%	0.266	S	S	.	.	H	α-helix	trans	-61.4	-40.9	177.2	172.5	0	0	0	0	111.8	E98 T100 I105 S106	E98-V102 HydrophobicContact CG-CG2 4.47Å; E98-V102 WeakPolarHBondContact O-CG2 3.37Å; E98-V102 PolarHBondContact O-N 2.97Å; T100-V102 PolarHBondContact O-N 2.84Å; V102-I105 PolarHBondContact O-N 2.96Å; V102-S106 WeakPolarHBondContact O-CB 3.45Å; V102-S106 PolarHBondContact O-N 3.31Å
103	K	96.9	Very high	96.5	Very high	107 Å²	107	50.7 Å²	50.7	47%	0.465	28%	0.276	S	S	.	.	H	α-helix	trans	-64.6	-41.3	175.7	-70.9	173.6	-172.1	168.7	0	111.9	E99 T100 S101 S106 F107	E99-K103 WeakPolarHBondContact O-CG 3.48Å; E99-K103 PolarHBondContact O-N 3.17Å; E99-K103 WeakPolarHBondContact OE1-CE 3.45Å; E99-K103 IonicContact OE1-NZ 2.95Å; E99-K103 PolarHBondContact OE1-NZ 3.36Å; T100-K103 PolarHBondContact O-N 2.96Å; S101-K103 VanDerWaalsContact C-N 3.34Å; S101-K103 PolarHBondContact O-N 3.29Å; K103-S106 PolarHBondContact O-N 3.32Å; K103-F107 VanDerWaalsContact O-CB 3.32Å; K103-F107 WeakPolarHBondContact O-CB 3.17Å; K103-F107 PolarHBondContact O-N 2.99Å
104	L	97.3	Very high	96.6	Very high	13 Å²	13	54.7 Å²	54.7	7%	0.068	30%	0.303	C	S	.	.	H	α-helix	trans	-63.9	-44	176.5	-73.6	168.4	0	0	0	112.1	L64 A82 V86 T100 S101 F107 L108 L141	L64-L104 HydrophobicContact CD1-CD1 4.41Å; L64-L104 HydrophobicContact CD1-CD2 3.83Å; L64-L104 HydrophobicContact CD2-CD1 4.37Å; A82-L104 HydrophobicContact CB-CD2 4.27Å; V86-L104 HydrophobicContact CG2-CD1 3.65Å; T100-L104 HydrophobicContact CG2-CD1 4.12Å; T100-L104 HydrophobicContact CG2-CG 4.49Å; T100-L104 WeakPolarHBondContact O-CG 3.22Å; T100-L104 PolarHBondContact O-N 2.62Å; S101-L104 PolarHBondContact O-N 2.7Å; L104-F107 PolarHBondContact O-N 2.99Å; L104-L108 WeakPolarHBondContact O-CB 3.44Å; L104-L108 WeakPolarHBondContact O-CG 3.26Å; L104-L108 PolarHBondContact O-N 3.47Å; L104-L141 HydrophobicContact CD1-CD2 4.41Å
105	I	98.3	Very high	96.7	Very high	15 Å²	15	56.8 Å²	56.8	8%	0.077	32%	0.317	C	S	.	.	H	α-helix	trans	-60	-48.3	176.6	-66.2	164.2	0	0	0	109.9	S101 V102 F107 L108 A109 L138 L141 D145 A146 I149	S101-I105 VanDerWaalsContact O-CG1 3.23Å; S101-I105 WeakPolarHBondContact O-CG1 3.32Å; S101-I105 PolarHBondContact O-N 2.86Å; V102-I105 PolarHBondContact O-N 2.96Å; I105-F107 PolarHBondContact O-N 3.04Å; I105-L108 PolarHBondContact O-N 3Å; I105-A109 VanDerWaalsContact O-CB 3.28Å; I105-A109 WeakPolarHBondContact O-CB 3.39Å; I105-A109 PolarHBondContact O-N 2.97Å; I105-L138 HydrophobicContact CG1-CD2 4.29Å; I105-L141 HydrophobicContact CD1-CD1 4.19Å; I105-L141 HydrophobicContact CG1-CD1 3.74Å; I105-D145 WeakPolarHBondContact CD1-OD1 3.37Å; I105-A146 HydrophobicContact CD1-CB 3.72Å; I105-A146 HydrophobicContact CG1-CB 3.75Å; I105-I149 HydrophobicContact CG2-CD1 4.32Å; I105-I149 HydrophobicContact CG2-CG2 3.9Å
106	S	97.9	Very high	97	Very high	81 Å²	81	52.4 Å²	52.4	57%	0.566	29%	0.291	S	S	*	.	H	α-helix	trans	-60	-44.3	177.1	-177.4	0	0	0	0	112.4	V102 K103 A109 S110	V102-S106 WeakPolarHBondContact O-CB 3.45Å; V102-S106 PolarHBondContact O-N 3.31Å; K103-S106 PolarHBondContact O-N 3.32Å; S106-A109 PolarHBondContact O-N 2.83Å; S106-S110 PolarHBondContact O-N 3.34Å
107	F	97.1	Very high	97.1	Very high	51 Å²	51	51.7 Å²	51.7	22%	0.224	29%	0.287	C	S	.	.	H	α-helix	trans	-62.1	-49.6	176.9	164.9	-109.3	0	0	0	112.3	Q78 A82 K103 L104 I105 A109 S110 S111	Q78-F107 HydrophobicContact CB-CE1 4.3Å; Q78-F107 HydrophobicContact CB-CE2 4.37Å; Q78-F107 HydrophobicContact CB-CZ 3.52Å; Q78-F107 VanDerWaalsContact OE1-CZ 3.26Å; A82-F107 HydrophobicContact CB-CE1 4.49Å; K103-F107 VanDerWaalsContact O-CB 3.32Å; K103-F107 WeakPolarHBondContact O-CB 3.17Å; K103-F107 PolarHBondContact O-N 2.99Å; L104-F107 PolarHBondContact O-N 2.99Å; I105-F107 PolarHBondContact O-N 3.04Å; F107-A109 VanDerWaalsContact C-N 3.34Å; F107-A109 PolarHBondContact O-N 3.41Å; F107-S110 PolarHBondContact O-N 3.42Å; F107-S110 VanDerWaalsContact O-N 3.12Å; F107-S110 PolarHBondContact O-OG 3.07Å; F107-S111 PolarHBondContact O-N 3.35Å; F107-S111 PolarHBondContact O-OG 3.01Å
108	L	98.1	Very high	97.3	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-66.8	-36.5	179.9	-68.9	175.9	0	0	0	111.7	P79 A82 L104 I105 S110 S111 Q112 F118 A134 C137 L138 I149	P79-L108 HydrophobicContact CB-CD2 3.99Å; P79-L108 HydrophobicContact CG-CD2 4.19Å; A82-L108 HydrophobicContact CB-CD2 4.44Å; L104-L108 WeakPolarHBondContact O-CB 3.44Å; L104-L108 WeakPolarHBondContact O-CG 3.26Å; L104-L108 PolarHBondContact O-N 3.47Å; I105-L108 PolarHBondContact O-N 3Å; L108-S110 VanDerWaalsContact C-N 3.28Å; L108-S110 PolarHBondContact O-N 3.3Å; L108-S111 PolarHBondContact O-N 3.26Å; L108-Q112 PolarHBondContact O-N 3.1Å; L108-F118 WeakPolarHBondContact O-CD1 3.37Å; L108-F118 WeakPolarHBondContact O-CE1 3.28Å; L108-A134 HydrophobicContact CD2-CB 4.04Å; L108-C137 HydrophobicContact CD1-CB 3.87Å; L108-L138 HydrophobicContact CB-CD2 4.25Å; L108-L138 HydrophobicContact CD1-CD2 3.7Å; L108-L138 HydrophobicContact CD1-CG 3.77Å; L108-I149 HydrophobicContact CB-CD1 4.34Å
109	A	98.1	Very high	97.5	Very high	38 Å²	38	43 Å²	43	31%	0.314	24%	0.242	S	C	.	.	H	α-helix	trans	-58.1	-41.1	171.3	0	0	0	0	0	111.6	I105 S106 F107 S111 Q112 I149	I105-A109 VanDerWaalsContact O-CB 3.28Å; I105-A109 WeakPolarHBondContact O-CB 3.39Å; I105-A109 PolarHBondContact O-N 2.97Å; S106-A109 PolarHBondContact O-N 2.83Å; F107-A109 VanDerWaalsContact C-N 3.34Å; F107-A109 PolarHBondContact O-N 3.41Å; A109-S111 PolarHBondContact O-N 2.83Å; A109-Q112 WeakPolarHBondContact O-CB 3.47Å; A109-Q112 PolarHBondContact O-N 2.9Å; A109-Q112 VanDerWaalsContact O-N 3.17Å; A109-I149 HydrophobicContact CB-CB 4.42Å; A109-I149 HydrophobicContact CB-CD1 3.95Å; A109-I149 HydrophobicContact CB-CG2 4.35Å
110	S	97.8	Very high	97.6	Very high	61 Å²	61	36.8 Å²	36.8	43%	0.427	21%	0.213	S	C	.	.	H	α-helix	trans	-69.1	-17.6	176.7	75.6	0	0	0	0	114.4	S106 F107 L108 P122	S106-S110 PolarHBondContact O-N 3.34Å; F107-S110 PolarHBondContact O-N 3.42Å; F107-S110 VanDerWaalsContact O-N 3.12Å; F107-S110 PolarHBondContact O-OG 3.07Å; L108-S110 VanDerWaalsContact C-N 3.28Å; L108-S110 PolarHBondContact O-N 3.3Å; S110-P122 WeakPolarHBondContact O-CA 3.49Å; S110-P122 WeakPolarHBondContact OG-CG 3.33Å
111	S	97.8	Very high	97.6	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.021	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-4.9	174.9	-56	0	0	0	0	113	F107 L108 A109 F118 G119	F107-S111 PolarHBondContact O-N 3.35Å; F107-S111 PolarHBondContact O-OG 3.01Å; L108-S111 PolarHBondContact O-N 3.26Å; A109-S111 PolarHBondContact O-N 2.83Å; S111-F118 CarbonylContact O-C 3.38Å; S111-F118 WeakPolarHBondContact O-CA 3.23Å; S111-G119 PolarHBondContact O-N 2.66Å
112	Q	98.2	Very high	97.6	Very high	50 Å²	50	37.9 Å²	37.9	23%	0.234	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-74.8	128.4	177.6	-165.7	177.1	39.6	0	0	110.4	L108 A109 F118 I149	L108-Q112 PolarHBondContact O-N 3.1Å; A109-Q112 WeakPolarHBondContact O-CB 3.47Å; A109-Q112 PolarHBondContact O-N 2.9Å; A109-Q112 VanDerWaalsContact O-N 3.17Å; Q112-F118 HydrophobicContact CB-CD1 3.78Å; Q112-F118 HydrophobicContact CB-CE1 3.66Å; Q112-F118 HydrophobicContact CB-CZ 4.33Å; Q112-F118 HydrophobicContact CG-CD1 4.18Å; Q112-F118 HydrophobicContact CG-CE1 3.91Å; Q112-F118 HydrophobicContact CG-CE2 4.48Å; Q112-F118 HydrophobicContact CG-CZ 4.07Å; Q112-I149 VanDerWaalsContact CD-O 3.3Å; Q112-I149 PolarHBondContact NE2-O 3.5Å; Q112-I149 PolarHBondContact OE1-O 2.96Å
113	H	97.9	Very high	97.4	Very high	46 Å²	46	45.7 Å²	45.7	21%	0.213	24%	0.244	C	C	.	.			trans	-80.9	137.5	179.4	-168.8	-88.4	0	0	0	110.3	D115 G116 G117 A126	H113-D115 IonicContact CE1-OD2 3.34Å; H113-D115 PolarHBondContact CE1-OD2 3.46Å; H113-D115 PolarHBondContact ND1-N 3.2Å; H113-D115 VanDerWaalsContact ND1-N 3.17Å; H113-D115 PolarHBondContact O-N 3.1Å; H113-D115 VanDerWaalsContact O-N 3.16Å; H113-G116 PolarHBondContact O-N 2.63Å; H113-G117 PolarHBondContact N-O 3.11Å; H113-A126 HydrophobicContact CB-CB 3.76Å
114	P	96	Very high	97.5	Very high	112 Å²	112	43.2 Å²	43.2	73%	0.727	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-33.8	-178.7	-27.9	35.3	0	0	0	114.6	G116	P114-G116 VanDerWaalsContact C-N 3.31Å
115	D	95.9	Very high	97.5	Very high	99 Å²	99	50.5 Å²	50.5	53%	0.529	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	4.8	178.9	-61.4	-34.1	0	0	0	114.4	H113 W158	H113-D115 IonicContact CE1-OD2 3.34Å; H113-D115 PolarHBondContact CE1-OD2 3.46Å; H113-D115 PolarHBondContact ND1-N 3.2Å; H113-D115 VanDerWaalsContact ND1-N 3.17Å; H113-D115 PolarHBondContact O-N 3.1Å; H113-D115 VanDerWaalsContact O-N 3.16Å; D115-W158 WeakPolarHBondContact O-CB 3.42Å
116	G	97.6	Very high	97.5	Very high	2 Å²	2	50 Å²	50	2%	0.021	26%	0.263	C	S	.	.	S	Bend	trans	111.1	150.7	-179.6	0	0	0	0	0	114.6	H113 P114 A126 A154	H113-G116 PolarHBondContact O-N 2.63Å; P114-G116 VanDerWaalsContact C-N 3.31Å; G116-A126 WeakPolarHBondContact O-CB 3.25Å; G116-A154 WeakPolarHBondContact CA-O 3.33Å
117	G	98.3	Very high	97.5	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.01	25%	0.246	C	C	.	.	S	Bend	trans	80.7	177.9	-176.4	0	0	0	0	0	114.3	H113	H113-G117 PolarHBondContact N-O 3.11Å
118	F	98.7	Very high	97.6	Very high	1 Å²	1	45.7 Å²	45.7	0%	0.004	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-120.7	135.7	175.5	-62.6	-101.7	0	0	0	110.3	L108 S111 Q112 H127 T130 S131 A134 V135 L138 I150	L108-F118 WeakPolarHBondContact O-CD1 3.37Å; L108-F118 WeakPolarHBondContact O-CE1 3.28Å; S111-F118 CarbonylContact O-C 3.38Å; S111-F118 WeakPolarHBondContact O-CA 3.23Å; Q112-F118 HydrophobicContact CB-CD1 3.78Å; Q112-F118 HydrophobicContact CB-CE1 3.66Å; Q112-F118 HydrophobicContact CB-CZ 4.33Å; Q112-F118 HydrophobicContact CG-CD1 4.18Å; Q112-F118 HydrophobicContact CG-CE1 3.91Å; Q112-F118 HydrophobicContact CG-CE2 4.48Å; Q112-F118 HydrophobicContact CG-CZ 4.07Å; F118-H127 PolarHBondContact O-N 2.99Å; F118-T130 PolarHBondContact O-OG1 3.41Å; F118-S131 PolarHBondContact N-OG 3.11Å; F118-S131 PolarHBondContact O-OG 3.17Å; F118-A134 HydrophobicContact CB-CB 3.81Å; F118-A134 HydrophobicContact CD1-CB 3.63Å; F118-A134 HydrophobicContact CD2-CB 3.7Å; F118-A134 HydrophobicContact CE1-CB 4.07Å; F118-A134 HydrophobicContact CE2-CB 4.14Å; F118-A134 HydrophobicContact CG-CB 3.43Å; F118-A134 VanDerWaalsContact CG-CB 3.43Å; F118-A134 HydrophobicContact CZ-CB 4.31Å; F118-V135 HydrophobicContact CD2-CG2 4.49Å; F118-V135 HydrophobicContact CE2-CG2 4.02Å; F118-L138 HydrophobicContact CZ-CD1 4.11Å; F118-I150 HydrophobicContact CZ-CG1 4.36Å
119	G	98.5	Very high	97.7	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-82.9	176.8	174.3	0	0	0	0	0	113.1	P79 S111 G121 F125 T130	P79-G119 VanDerWaalsContact CG-O 3.27Å; P79-G119 WeakPolarHBondContact CG-O 3.48Å; S111-G119 PolarHBondContact O-N 2.66Å; G119-G121 PolarHBondContact O-N 3Å; G119-F125 WeakPolarHBondContact CA-O 3.41Å; G119-T130 WeakPolarHBondContact O-CB 3.43Å
120	G	98.1	Very high	97.7	Very high	2 Å²	2	44.6 Å²	44.6	2%	0.021	23%	0.226	C	C	.	.	S	Bend	trans	-69.2	-11	177.8	0	0	0	0	0	115.3	D75 A76 S77 Q78 P79	D75-G120 VanDerWaalsContact O-O 3.05Å; A76-G120 VanDerWaalsContact C-CA 3.44Å; A76-G120 CarbonylContact C-O 3.56Å; A76-G120 VanDerWaalsContact O-CA 3.26Å; A76-G120 WeakPolarHBondContact O-CA 3.45Å; S77-G120 PolarHBondContact N-O 3.49Å; Q78-G120 VanDerWaalsContact CB-O 3.27Å; Q78-G120 WeakPolarHBondContact CB-O 3.45Å; Q78-G120 WeakPolarHBondContact CG-O 3.37Å; Q78-G120 PolarHBondContact N-O 3.5Å; P79-G120 WeakPolarHBondContact CD-O 3.18Å
121	G	96.7	Very high	97.7	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.205	C	C	.	.	S	Bend	trans	-179.8	-178.8	175.2	0	0	0	0	0	109	G119 Y123 Q124	G119-G121 PolarHBondContact O-N 3Å; G121-Y123 PolarHBondContact O-N 3.47Å; G121-Q124 WeakPolarHBondContact O-CB 3.48Å; G121-Q124 PolarHBondContact O-N 3.23Å
122	P	96	Very high	97.8	Very high	44 Å²	44	41.6 Å²	41.6	29%	0.286	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	139	178.7	-25.3	35.1	0	0	0	112.3	S110 Q124	S110-P122 WeakPolarHBondContact O-CA 3.49Å; S110-P122 WeakPolarHBondContact OG-CG 3.33Å; P122-Q124 PolarHBondContact O-N 2.99Å
123	Y	94.9	Very high	97.8	Very high	233 Å²	233	39.2 Å²	39.2	91%	0.914	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.6	3.3	179.8	-43.4	-72.3	0	0	0	116.7	G121	G121-Y123 PolarHBondContact O-N 3.47Å
124	Q	97.8	Very high	97.8	Very high	55 Å²	55	37 Å²	37	26%	0.257	18%	0.183	S	C	.	.	S	Bend	trans	-83.5	156.5	173.6	-61	-177.7	22.4	0	0	111.3	D75 G121 P122	D75-Q124 PolarHBondContact O-NE2 2.88Å; G121-Q124 WeakPolarHBondContact O-CB 3.48Å; G121-Q124 PolarHBondContact O-N 3.23Å; P122-Q124 PolarHBondContact O-N 2.99Å
125	F	97.7	Very high	98	Very high	167 Å²	167	31.7 Å²	31.7	73%	0.732	15%	0.149	S	C	*	.	P	Polyproline II helix	trans	-62.6	145	173	-62.5	-42.2	0	0	0	111.2	G119	G119-F125 WeakPolarHBondContact CA-O 3.41Å
126	A	98.5	Very high	98.1	Very high	4 Å²	4	27 Å²	27	3%	0.033	12%	0.124	C	C	.	.	B	Isolated β-bridge	trans	-61.5	142.4	173.8	0	0	0	0	0	111.6	H113 G116 W158 H172	H113-A126 HydrophobicContact CB-CB 3.76Å; G116-A126 WeakPolarHBondContact O-CB 3.25Å; A126-W158 VanDerWaalsContact C-CZ2 3.47Å; A126-W158 HydrophobicContact CB-CD2 4.33Å; A126-W158 HydrophobicContact CB-CH2 4.12Å; A126-W158 HydrophobicContact CB-CZ2 3.5Å; A126-W158 VanDerWaalsContact CB-CZ2 3.5Å; A126-W158 WeakPolarHBondContact O-CZ2 3.36Å; A126-H172 VanDerWaalsContact O-CB 3.3Å; A126-H172 WeakPolarHBondContact O-CB 3.43Å
127	H	98.8	Very high	98.1	Very high	42 Å²	42	26.9 Å²	26.9	19%	0.194	12%	0.123	C	C	.	.			trans	-143.7	141.5	-179.4	-173.1	-74.1	0	0	0	109.9	F118 A129 T130 S131 M171 H172	F118-H127 PolarHBondContact O-N 2.99Å; H127-A129 VanDerWaalsContact C-N 3.34Å; H127-A129 WeakPolarHBondContact ND1-CB 3.31Å; H127-A129 PolarHBondContact ND1-N 2.97Å; H127-A129 VanDerWaalsContact ND1-N 3.19Å; H127-A129 PolarHBondContact O-N 2.84Å; H127-T130 WeakPolarHBondContact CB-OG1 3.45Å; H127-T130 PolarHBondContact O-N 3.32Å; H127-T130 PolarHBondContact O-OG1 3.48Å; H127-S131 WeakPolarHBondContact O-CB 3.49Å; H127-S131 PolarHBondContact O-N 3.11Å; H127-S131 PolarHBondContact O-OG 2.68Å; H127-M171 CarbonylContact C-O 3.57Å; H127-M171 WeakPolarHBondContact CA-O 3.48Å; H127-M171 WeakPolarHBondContact CE1-CE 3.46Å; H127-H172 HydrophobicContact CB-CB 4.34Å; H127-H172 AromaticContact CD2-CD2 3.37Å; H127-H172 PolarHBondContact CD2-CD2 2.89Å; H127-H172 AromaticContact CD2-CG 3.94Å; H127-H172 AromaticContact NE2-CD2 3.84Å
128	L	98.8	Very high	98.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-63.8	-40.1	-171.5	-82.2	175.1	0	0	0	111.8	T130 S131 Y132 W158 M159 L162 F169 L170 M171 G181 C184 A185	L128-T130 PolarHBondContact O-N 3.15Å; L128-S131 PolarHBondContact O-N 3.49Å; L128-Y132 PolarHBondContact O-N 3.22Å; L128-W158 HydrophobicContact CD2-CH2 3.86Å; L128-W158 HydrophobicContact CD2-CZ3 3.65Å; L128-W158 HydrophobicContact CG-CH2 3.89Å; L128-W158 HydrophobicContact CG-CZ3 4.21Å; L128-M159 HydrophobicContact CD2-CE 4.42Å; L128-M159 HydrophobicContact CD2-CG 4.43Å; L128-L162 HydrophobicContact CD1-CD1 3.81Å; L128-L162 HydrophobicContact CD2-CD1 4.01Å; L128-L162 HydrophobicContact CG-CD1 3.65Å; L128-F169 HydrophobicContact CD1-CB 4.07Å; L128-L170 WeakPolarHBondContact CD1-O 3.32Å; L128-M171 HydrophobicContact CB-CE 4.22Å; L128-M171 HydrophobicContact CB-SD 4.46Å; L128-M171 PolarHBondContact N-O 3.16Å; L128-G181 WeakPolarHBondContact CD1-O 3.47Å; L128-C184 HydrophobicContact CB-CB 3.81Å; L128-A185 HydrophobicContact CD1-CB 4.26Å; L128-A185 HydrophobicContact CD2-CB 3.95Å
129	A	98.7	Very high	98.1	Very high	11 Å²	11	26.8 Å²	26.8	9%	0.091	12%	0.122	C	C	.	.	H	α-helix	trans	-59.2	-46.2	176.6	0	0	0	0	0	112.8	W80 H127 Y132 G133 M171	W80-A129 VanDerWaalsContact CE2-O 3.25Å; W80-A129 HydrophobicContact CZ2-CB 3.91Å; W80-A129 WeakPolarHBondContact CZ2-O 3.29Å; W80-A129 PolarHBondContact NE1-O 2.81Å; H127-A129 VanDerWaalsContact C-N 3.34Å; H127-A129 WeakPolarHBondContact ND1-CB 3.31Å; H127-A129 PolarHBondContact ND1-N 2.97Å; H127-A129 VanDerWaalsContact ND1-N 3.19Å; H127-A129 PolarHBondContact O-N 2.84Å; A129-Y132 PolarHBondContact O-N 3.2Å; A129-G133 PolarHBondContact O-N 3.35Å; A129-M171 HydrophobicContact CB-CE 3.72Å
130	T	98.6	Very high	98.1	Very high	4 Å²	4	27 Å²	27	3%	0.025	12%	0.123	C	C	.	.	H	α-helix	trans	-76.9	-26.5	-179.9	48.8	0	0	0	0	111.9	P79 F118 G119 H127 L128 G133 A134	P79-T130 WeakPolarHBondContact CB-O 3.36Å; F118-T130 PolarHBondContact O-OG1 3.41Å; G119-T130 WeakPolarHBondContact O-CB 3.43Å; H127-T130 WeakPolarHBondContact CB-OG1 3.45Å; H127-T130 PolarHBondContact O-N 3.32Å; H127-T130 PolarHBondContact O-OG1 3.48Å; L128-T130 PolarHBondContact O-N 3.15Å; T130-G133 PolarHBondContact O-N 3Å; T130-A134 VanDerWaalsContact O-CB 3.29Å; T130-A134 WeakPolarHBondContact O-CB 3.49Å; T130-A134 PolarHBondContact O-N 3.21Å
131	S	98.8	Very high	98.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-65.4	-43.8	169.2	-56.9	0	0	0	0	111.7	F118 H127 L128 A134 V135	F118-S131 PolarHBondContact N-OG 3.11Å; F118-S131 PolarHBondContact O-OG 3.17Å; H127-S131 WeakPolarHBondContact O-CB 3.49Å; H127-S131 PolarHBondContact O-N 3.11Å; H127-S131 PolarHBondContact O-OG 2.68Å; L128-S131 PolarHBondContact O-N 3.49Å; S131-A134 PolarHBondContact O-N 2.75Å; S131-V135 WeakPolarHBondContact O-CB 3.34Å; S131-V135 VanDerWaalsContact O-CG2 3.26Å; S131-V135 WeakPolarHBondContact O-CG2 3.33Å; S131-V135 PolarHBondContact O-N 2.98Å
132	Y	98.8	Very high	98.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-59.1	-50.2	171.5	170.3	-89.6	0	0	0	111.4	W80 Y83 L128 A129 A134 V135 N136 Y183 A187 H429	W80-Y132 AromaticContact CH2-CD1 3.26Å; W80-Y132 HydrophobicContact CH2-CD1 3.26Å; W80-Y132 AromaticContact CH2-CE1 3.48Å; W80-Y132 HydrophobicContact CH2-CE1 3.48Å; W80-Y132 VanDerWaalsContact CH2-CE1 3.48Å; W80-Y132 HydrophobicContact CH2-CG 4.41Å; W80-Y132 AromaticContact CZ2-CD1 3.95Å; W80-Y132 HydrophobicContact CZ2-CD1 3.95Å; W80-Y132 AromaticContact CZ3-CD1 3.67Å; W80-Y132 HydrophobicContact CZ3-CD1 3.67Å; W80-Y132 AromaticContact CZ3-CE1 3.63Å; W80-Y132 HydrophobicContact CZ3-CE1 3.63Å; Y83-Y132 HydrophobicContact CE1-CE1 4.1Å; L128-Y132 PolarHBondContact O-N 3.22Å; A129-Y132 PolarHBondContact O-N 3.2Å; Y132-A134 PolarHBondContact O-N 3.33Å; Y132-V135 PolarHBondContact O-N 3.41Å; Y132-N136 VanDerWaalsContact CE2-ND2 3.27Å; Y132-N136 WeakPolarHBondContact CE2-ND2 3.26Å; Y132-N136 WeakPolarHBondContact O-CB 3.46Å; Y132-N136 PolarHBondContact O-N 2.65Å; Y132-N136 PolarHBondContact OH-ND2 3.35Å; Y132-Y183 HydrophobicContact CD2-CE1 4.21Å; Y132-Y183 AromaticContact CE2-CE1 3.6Å; Y132-Y183 HydrophobicContact CE2-CE1 3.6Å; Y132-Y183 AromaticContact CE2-CZ 3.69Å; Y132-Y183 WeakPolarHBondContact CE2-OH 3.28Å; Y132-Y183 AromaticContact CZ-CE1 3.87Å; Y132-Y183 PolarHBondContact OH-OH 3.12Å; Y132-A187 HydrophobicContact CD2-CB 4.08Å; Y132-A187 HydrophobicContact CE2-CB 4.05Å; Y132-H429 PolarHBondContact OH-O 2.91Å
133	G	98.6	Very high	98.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-57.3	-48.7	176.7	0	0	0	0	0	112.5	Y83 A129 T130 C137	Y83-G133 WeakPolarHBondContact CB-O 3.17Å; A129-G133 PolarHBondContact O-N 3.35Å; T130-G133 PolarHBondContact O-N 3Å; G133-C137 VanDerWaalsContact O-CB 3.23Å; G133-C137 WeakPolarHBondContact O-CB 3.4Å; G133-C137 PolarHBondContact O-N 3.31Å
134	A	98.8	Very high	98.2	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-60.2	-51.5	178.8	0	0	0	0	0	112.1	P79 L108 F118 T130 S131 Y132 N136 C137 L138	P79-A134 HydrophobicContact CB-CB 4.11Å; L108-A134 HydrophobicContact CD2-CB 4.04Å; F118-A134 HydrophobicContact CB-CB 3.81Å; F118-A134 HydrophobicContact CD1-CB 3.63Å; F118-A134 HydrophobicContact CD2-CB 3.7Å; F118-A134 HydrophobicContact CE1-CB 4.07Å; F118-A134 HydrophobicContact CE2-CB 4.14Å; F118-A134 HydrophobicContact CG-CB 3.43Å; F118-A134 VanDerWaalsContact CG-CB 3.43Å; F118-A134 HydrophobicContact CZ-CB 4.31Å; T130-A134 VanDerWaalsContact O-CB 3.29Å; T130-A134 WeakPolarHBondContact O-CB 3.49Å; T130-A134 PolarHBondContact O-N 3.21Å; S131-A134 PolarHBondContact O-N 2.75Å; Y132-A134 PolarHBondContact O-N 3.33Å; A134-N136 PolarHBondContact O-N 3.41Å; A134-C137 WeakPolarHBondContact O-CB 3.35Å; A134-C137 PolarHBondContact O-N 3.12Å; A134-L138 VanDerWaalsContact O-CG 3.25Å; A134-L138 WeakPolarHBondContact O-CG 3.32Å; A134-L138 PolarHBondContact O-N 2.79Å
135	V	98.8	Very high	98.2	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.006	10%	0.103	C	C	.	.	H	α-helix	trans	-64.6	-43.9	-176.7	173	0	0	0	0	111.3	F118 S131 Y132 C137 L138 A139 I150 V188 L191 T192	F118-V135 HydrophobicContact CD2-CG2 4.49Å; F118-V135 HydrophobicContact CE2-CG2 4.02Å; S131-V135 WeakPolarHBondContact O-CB 3.34Å; S131-V135 VanDerWaalsContact O-CG2 3.26Å; S131-V135 WeakPolarHBondContact O-CG2 3.33Å; S131-V135 PolarHBondContact O-N 2.98Å; Y132-V135 PolarHBondContact O-N 3.41Å; V135-C137 VanDerWaalsContact C-N 3.33Å; V135-C137 PolarHBondContact O-N 3.46Å; V135-L138 PolarHBondContact O-N 2.62Å; V135-A139 WeakPolarHBondContact O-CB 3.43Å; V135-A139 PolarHBondContact O-N 3.46Å; V135-I150 HydrophobicContact CG1-CD1 4.3Å; V135-I150 HydrophobicContact CG2-CD1 4.22Å; V135-V188 HydrophobicContact CB-CG1 4.49Å; V135-V188 HydrophobicContact CB-CG2 4.18Å; V135-V188 HydrophobicContact CG1-CG1 4.43Å; V135-V188 HydrophobicContact CG1-CG2 4.49Å; V135-V188 HydrophobicContact CG2-CG1 3.99Å; V135-V188 HydrophobicContact CG2-CG2 4.3Å; V135-L191 HydrophobicContact CG1-CD2 4.03Å; V135-T192 HydrophobicContact CG1-CG2 3.85Å
136	N	98.7	Very high	98.3	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-66	-36.1	176.8	-79.1	14.9	0	0	0	112.3	Y83 Y132 A134 S140 L191 H429 I431	Y83-N136 HydrophobicContact CD2-CB 3.57Å; Y83-N136 HydrophobicContact CE2-CB 3.62Å; Y83-N136 HydrophobicContact CG-CB 4.35Å; Y132-N136 VanDerWaalsContact CE2-ND2 3.27Å; Y132-N136 WeakPolarHBondContact CE2-ND2 3.26Å; Y132-N136 WeakPolarHBondContact O-CB 3.46Å; Y132-N136 PolarHBondContact O-N 2.65Å; Y132-N136 PolarHBondContact OH-ND2 3.35Å; A134-N136 PolarHBondContact O-N 3.41Å; N136-S140 WeakPolarHBondContact O-CB 3.38Å; N136-S140 PolarHBondContact O-N 2.84Å; N136-S140 PolarHBondContact O-OG 3.11Å; N136-L191 WeakPolarHBondContact OD1-CD2 3.35Å; N136-H429 PolarHBondContact ND2-O 3.45Å; N136-I431 HydrophobicContact CB-CG2 3.8Å
137	C	98.7	Very high	98.3	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-62.7	-47.3	173.7	-173.4	0	0	0	0	111.2	L108 G133 A134 V135 S140 L141	L108-C137 HydrophobicContact CD1-CB 3.87Å; G133-C137 VanDerWaalsContact O-CB 3.23Å; G133-C137 WeakPolarHBondContact O-CB 3.4Å; G133-C137 PolarHBondContact O-N 3.31Å; A134-C137 WeakPolarHBondContact O-CB 3.35Å; A134-C137 PolarHBondContact O-N 3.12Å; V135-C137 VanDerWaalsContact C-N 3.33Å; V135-C137 PolarHBondContact O-N 3.46Å; C137-S140 WeakPolarHBondContact O-CB 3.27Å; C137-S140 PolarHBondContact O-N 3.1Å; C137-L141 PolarHBondContact O-N 3.11Å
138	L	98.6	Very high	98.2	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-64	-43.9	179	-65.1	164.4	0	0	0	111.6	I105 L108 F118 A134 V135 S140 L141 A146 I149 I150	I105-L138 HydrophobicContact CG1-CD2 4.29Å; L108-L138 HydrophobicContact CB-CD2 4.25Å; L108-L138 HydrophobicContact CD1-CD2 3.7Å; L108-L138 HydrophobicContact CD1-CG 3.77Å; F118-L138 HydrophobicContact CZ-CD1 4.11Å; A134-L138 VanDerWaalsContact O-CG 3.25Å; A134-L138 WeakPolarHBondContact O-CG 3.32Å; A134-L138 PolarHBondContact O-N 2.79Å; V135-L138 PolarHBondContact O-N 2.62Å; L138-S140 VanDerWaalsContact C-N 3.26Å; L138-S140 PolarHBondContact O-N 2.9Å; L138-L141 WeakPolarHBondContact O-CB 3.38Å; L138-L141 PolarHBondContact O-N 3.31Å; L138-L141 VanDerWaalsContact O-N 3.12Å; L138-A146 HydrophobicContact CB-CB 4.3Å; L138-A146 HydrophobicContact CD2-CB 4.02Å; L138-A146 WeakPolarHBondContact CD2-O 3.48Å; L138-I149 HydrophobicContact CD1-CD1 3.67Å; L138-I149 HydrophobicContact CD1-CG1 3.89Å; L138-I149 HydrophobicContact CD2-CD1 3.64Å; L138-I149 HydrophobicContact CD2-CG1 4.41Å; L138-I149 HydrophobicContact CG-CD1 4.31Å; L138-I150 HydrophobicContact CD1-CD1 3.98Å; L138-I150 HydrophobicContact CD1-CG1 3.83Å
139	A	98.1	Very high	98.1	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-57.5	-40.2	174.9	0	0	0	0	0	112.1	V135 L141 C142 L191 I431 G435 T439	V135-A139 WeakPolarHBondContact O-CB 3.43Å; V135-A139 PolarHBondContact O-N 3.46Å; A139-L141 PolarHBondContact O-N 2.92Å; A139-C142 PolarHBondContact O-N 3.49Å; A139-L191 HydrophobicContact CB-CD2 3.94Å; A139-I431 HydrophobicContact CB-CD1 4.22Å; A139-G435 WeakPolarHBondContact O-CA 3.27Å; A139-T439 WeakPolarHBondContact CA-OG1 3.27Å; A139-T439 HydrophobicContact CB-CG2 4.15Å; A139-T439 VanDerWaalsContact CB-OG1 3.23Å; A139-T439 WeakPolarHBondContact CB-OG1 3.46Å
140	S	97.6	Very high	98.1	Very high	3 Å²	3	17.5 Å²	17.5	2%	0.021	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-15.8	179.8	-61	0	0	0	0	114	N136 C137 L138	N136-S140 WeakPolarHBondContact O-CB 3.38Å; N136-S140 PolarHBondContact O-N 2.84Å; N136-S140 PolarHBondContact O-OG 3.11Å; C137-S140 WeakPolarHBondContact O-CB 3.27Å; C137-S140 PolarHBondContact O-N 3.1Å; L138-S140 VanDerWaalsContact C-N 3.26Å; L138-S140 PolarHBondContact O-N 2.9Å
141	L	97.6	Very high	98.1	Very high	17 Å²	17	21.2 Å²	21.2	9%	0.089	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-17.8	177.4	-60.4	179.1	0	0	0	113	V86 I96 L104 I105 C137 L138 A139 R143 A146	V86-L141 HydrophobicContact CG1-CD2 4.23Å; I96-L141 HydrophobicContact CG2-CD2 4.39Å; L104-L141 HydrophobicContact CD1-CD2 4.41Å; I105-L141 HydrophobicContact CD1-CD1 4.19Å; I105-L141 HydrophobicContact CG1-CD1 3.74Å; C137-L141 PolarHBondContact O-N 3.11Å; L138-L141 WeakPolarHBondContact O-CB 3.38Å; L138-L141 PolarHBondContact O-N 3.31Å; L138-L141 VanDerWaalsContact O-N 3.12Å; A139-L141 PolarHBondContact O-N 2.92Å; L141-R143 VanDerWaalsContact C-N 3.33Å; L141-R143 WeakPolarHBondContact O-CG 3.23Å; L141-R143 PolarHBondContact O-N 2.83Å; L141-A146 HydrophobicContact CB-CB 4.29Å; L141-A146 HydrophobicContact CD1-CB 4.12Å
142	C	96.7	Very high	98	Very high	24 Å²	24	22.4 Å²	22.4	16%	0.162	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	53	44.8	-177.8	-56.7	0	0	0	0	113.5	A139 G435 F438	A139-C142 PolarHBondContact O-N 3.49Å; C142-G435 VanDerWaalsContact SG-CA 3.57Å; C142-F438 HydrophobicContact CB-CB 4.43Å; C142-F438 HydrophobicContact CB-CD2 4.28Å; C142-F438 HydrophobicContact CB-CG 4.17Å
143	R	97.2	Very high	97.9	Very high	58 Å²	58	26 Å²	26	22%	0.219	13%	0.128	C	C	.	.			trans	-131.9	143.4	-178.3	-65.9	172.6	61.3	96.7	-4	112.3	E98 L141 D145 A146 L147	E98-R143 IonicContact OE1-CZ 3.78Å; E98-R143 IonicContact OE1-NH1 2.66Å; E98-R143 PolarHBondContact OE1-NH1 3.16Å; E98-R143 IonicContact OE1-NH2 3.6Å; L141-R143 VanDerWaalsContact C-N 3.33Å; L141-R143 WeakPolarHBondContact O-CG 3.23Å; L141-R143 PolarHBondContact O-N 2.83Å; R143-D145 WeakPolarHBondContact CB-OD1 3.26Å; R143-D145 IonicContact CZ-OD1 3.89Å; R143-D145 IonicContact CZ-OD2 3.52Å; R143-D145 IonicContact NE-OD1 3.85Å; R143-D145 PolarHBondContact NE-OD1 3.09Å; R143-D145 IonicContact NE-OD2 3.09Å; R143-D145 IonicContact NH2-OD1 3.77Å; R143-D145 PolarHBondContact NH2-OD1 3.21Å; R143-D145 IonicContact NH2-OD2 3.82Å; R143-D145 PolarHBondContact NH2-OD2 2.8Å; R143-A146 HydrophobicContact CB-CB 4.15Å; R143-A146 WeakPolarHBondContact O-CB 3.32Å; R143-A146 PolarHBondContact O-N 3.13Å; R143-L147 PolarHBondContact O-N 3.27Å
144	R	97.4	Very high	97.9	Very high	80 Å²	80	26.7 Å²	26.7	30%	0.302	13%	0.134	S	C	.	.	H	α-helix	trans	-62.1	-48.3	176.6	-168.8	-166.3	70.8	-137.1	-1.5	112.2	A146 L147 D148 Y442 P452 E456	R144-A146 PolarHBondContact O-N 2.85Å; R144-L147 PolarHBondContact O-N 3.48Å; R144-D148 WeakPolarHBondContact CG-OD2 3.15Å; R144-D148 IonicContact NE-OD2 3.5Å; R144-D148 PolarHBondContact NE-OD2 3.25Å; R144-D148 WeakPolarHBondContact O-CB 3.28Å; R144-D148 VanDerWaalsContact O-CG 3.26Å; R144-D148 PolarHBondContact O-N 3.02Å; R144-Y442 HydrophobicContact CG-CE1 4.44Å; R144-Y442 HydrophobicContact CG-CE2 3.62Å; R144-Y442 WeakPolarHBondContact CG-OH 3.35Å; R144-P452 WeakPolarHBondContact CD-O 3.43Å; R144-E456 HydrophobicContact CB-CB 4.14Å; R144-E456 VanDerWaalsContact CB-CD 3.45Å; R144-E456 HydrophobicContact CB-CG 3.95Å; R144-E456 VanDerWaalsContact CB-OE1 3.29Å; R144-E456 WeakPolarHBondContact CB-OE1 3.37Å; R144-E456 WeakPolarHBondContact CD-OE2 3.41Å; R144-E456 HydrophobicContact CG-CB 4.2Å; R144-E456 IonicContact CZ-OE2 3.51Å; R144-E456 IonicContact NE-OE2 3.98Å; R144-E456 IonicContact NH1-OE2 3.41Å; R144-E456 PolarHBondContact NH1-OE2 2.64Å
145	D	97.6	Very high	97.9	Very high	54 Å²	54	26.7 Å²	26.7	29%	0.289	13%	0.134	S	C	.	.	H	α-helix	trans	-62.9	-24.9	-179.6	64.4	-14.1	0	0	0	113.4	I105 R143 I149	I105-D145 WeakPolarHBondContact CD1-OD1 3.37Å; R143-D145 WeakPolarHBondContact CB-OD1 3.26Å; R143-D145 IonicContact CZ-OD1 3.89Å; R143-D145 IonicContact CZ-OD2 3.52Å; R143-D145 IonicContact NE-OD1 3.85Å; R143-D145 PolarHBondContact NE-OD1 3.09Å; R143-D145 IonicContact NE-OD2 3.09Å; R143-D145 IonicContact NH2-OD1 3.77Å; R143-D145 PolarHBondContact NH2-OD1 3.21Å; R143-D145 IonicContact NH2-OD2 3.82Å; R143-D145 PolarHBondContact NH2-OD2 2.8Å; D145-I149 WeakPolarHBondContact O-CG2 3.2Å
146	A	98.3	Very high	97.8	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-72.4	-39	170.9	0	0	0	0	0	112.5	I105 L138 L141 R143 R144 I149	I105-A146 HydrophobicContact CD1-CB 3.72Å; I105-A146 HydrophobicContact CG1-CB 3.75Å; L138-A146 HydrophobicContact CB-CB 4.3Å; L138-A146 HydrophobicContact CD2-CB 4.02Å; L138-A146 WeakPolarHBondContact CD2-O 3.48Å; L141-A146 HydrophobicContact CB-CB 4.29Å; L141-A146 HydrophobicContact CD1-CB 4.12Å; R143-A146 HydrophobicContact CB-CB 4.15Å; R143-A146 WeakPolarHBondContact O-CB 3.32Å; R143-A146 PolarHBondContact O-N 3.13Å; R144-A146 PolarHBondContact O-N 2.85Å; A146-I149 WeakPolarHBondContact O-CG1 3.49Å
147	L	98.5	Very high	97.8	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-80.1	-31.6	-179.7	-63	-172.2	0	0	0	112.7	R143 R144 I149 I150 F438 T439 Y442 F443	R143-L147 PolarHBondContact O-N 3.27Å; R144-L147 PolarHBondContact O-N 3.48Å; L147-I149 PolarHBondContact O-N 2.93Å; L147-I150 HydrophobicContact CD2-CD1 4.26Å; L147-I150 WeakPolarHBondContact O-CB 3.17Å; L147-I150 PolarHBondContact O-N 2.97Å; L147-F438 HydrophobicContact CD1-CD1 3.71Å; L147-F438 HydrophobicContact CD1-CE1 3.52Å; L147-F438 HydrophobicContact CG-CE1 4.15Å; L147-T439 HydrophobicContact CD1-CG2 3.97Å; L147-T439 HydrophobicContact CD2-CG2 3.85Å; L147-Y442 HydrophobicContact CB-CD1 3.8Å; L147-Y442 HydrophobicContact CB-CE1 3.86Å; L147-Y442 HydrophobicContact CD1-CD1 3.5Å; L147-Y442 HydrophobicContact CD1-CE1 4.37Å; L147-Y442 HydrophobicContact CD1-CG 3.9Å; L147-Y442 HydrophobicContact CG-CD1 4.31Å; L147-F443 HydrophobicContact CB-CE1 4.35Å; L147-F443 HydrophobicContact CB-CE2 4.38Å; L147-F443 HydrophobicContact CB-CZ 3.81Å; L147-F443 HydrophobicContact CD1-CE2 4.18Å; L147-F443 HydrophobicContact CD1-CZ 4.38Å; L147-F443 HydrophobicContact CD2-CE2 4.16Å; L147-F443 HydrophobicContact CD2-CZ 4.29Å; L147-F443 HydrophobicContact CG-CE2 4.48Å; L147-F443 HydrophobicContact CG-CZ 4.38Å
148	D	97.8	Very high	97.8	Very high	79 Å²	79	31.5 Å²	31.5	42%	0.422	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-22.6	-178.8	-76.1	-15.6	0	0	0	113.5	R144 I150 Y442	R144-D148 WeakPolarHBondContact CG-OD2 3.15Å; R144-D148 IonicContact NE-OD2 3.5Å; R144-D148 PolarHBondContact NE-OD2 3.25Å; R144-D148 WeakPolarHBondContact O-CB 3.28Å; R144-D148 VanDerWaalsContact O-CG 3.26Å; R144-D148 PolarHBondContact O-N 3.02Å; D148-I150 PolarHBondContact O-N 2.95Å; D148-Y442 PolarHBondContact OD1-OH 3.2Å
149	I	97.3	Very high	97.8	Very high	35 Å²	35	31.5 Å²	31.5	18%	0.179	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-18.7	175.5	78.5	179.7	0	0	0	112.2	I105 L108 A109 Q112 L138 D145 A146 L147 N151	I105-I149 HydrophobicContact CG2-CD1 4.32Å; I105-I149 HydrophobicContact CG2-CG2 3.9Å; L108-I149 HydrophobicContact CB-CD1 4.34Å; A109-I149 HydrophobicContact CB-CB 4.42Å; A109-I149 HydrophobicContact CB-CD1 3.95Å; A109-I149 HydrophobicContact CB-CG2 4.35Å; Q112-I149 VanDerWaalsContact CD-O 3.3Å; Q112-I149 PolarHBondContact NE2-O 3.5Å; Q112-I149 PolarHBondContact OE1-O 2.96Å; L138-I149 HydrophobicContact CD1-CD1 3.67Å; L138-I149 HydrophobicContact CD1-CG1 3.89Å; L138-I149 HydrophobicContact CD2-CD1 3.64Å; L138-I149 HydrophobicContact CD2-CG1 4.41Å; L138-I149 HydrophobicContact CG-CD1 4.31Å; D145-I149 WeakPolarHBondContact O-CG2 3.2Å; A146-I149 WeakPolarHBondContact O-CG1 3.49Å; L147-I149 PolarHBondContact O-N 2.93Å; I149-N151 PolarHBondContact O-N 3.42Å; I149-N151 VanDerWaalsContact O-N 3.1Å
150	I	98.2	Very high	97.8	Very high	11 Å²	11	36.1 Å²	36.1	6%	0.056	18%	0.177	C	C	.	.			trans	-75.6	105.3	-175.7	-57.1	173.7	0	0	0	108.9	F118 V135 L138 L147 D148 R152 L155 T192 F443	F118-I150 HydrophobicContact CZ-CG1 4.36Å; V135-I150 HydrophobicContact CG1-CD1 4.3Å; V135-I150 HydrophobicContact CG2-CD1 4.22Å; L138-I150 HydrophobicContact CD1-CD1 3.98Å; L138-I150 HydrophobicContact CD1-CG1 3.83Å; L147-I150 HydrophobicContact CD2-CD1 4.26Å; L147-I150 WeakPolarHBondContact O-CB 3.17Å; L147-I150 PolarHBondContact O-N 2.97Å; D148-I150 PolarHBondContact O-N 2.95Å; I150-R152 VanDerWaalsContact C-N 3.34Å; I150-R152 HydrophobicContact CG2-CG 4.22Å; I150-R152 PolarHBondContact O-N 2.89Å; I150-L155 HydrophobicContact CG2-CD2 4.05Å; I150-T192 HydrophobicContact CD1-CG2 4.39Å; I150-T192 HydrophobicContact CG2-CG2 4.28Å; I150-F443 HydrophobicContact CD1-CZ 4.15Å
151	N	97.7	Very high	97.8	Very high	82 Å²	82	41.4 Å²	41.4	44%	0.439	20%	0.199	S	C	.	.			trans	-74.4	89.2	172	-173.1	-19.3	0	0	0	109.6	I149 D153 A154 L155	I149-N151 PolarHBondContact O-N 3.42Å; I149-N151 VanDerWaalsContact O-N 3.1Å; N151-D153 PolarHBondContact O-N 3.38Å; N151-A154 HydrophobicContact CB-CB 4.19Å; N151-A154 VanDerWaalsContact CG-CB 3.48Å; N151-A154 WeakPolarHBondContact OD1-CB 3.3Å; N151-A154 PolarHBondContact OD1-N 3.34Å; N151-A154 VanDerWaalsContact OD1-N 3.15Å; N151-L155 WeakPolarHBondContact O-CB 3.41Å; N151-L155 PolarHBondContact O-N 2.87Å
152	R	97.8	Very high	97.9	Very high	25 Å²	25	40.6 Å²	40.6	9%	0.094	20%	0.195	C	C	.	.	H	α-helix	trans	-60.3	-41	-175.1	-74.7	178	69.6	-143.7	8.2	113.4	I150 L155 A156 T192 L194 F443 D447	I150-R152 VanDerWaalsContact C-N 3.34Å; I150-R152 HydrophobicContact CG2-CG 4.22Å; I150-R152 PolarHBondContact O-N 2.89Å; R152-L155 PolarHBondContact O-N 2.87Å; R152-A156 PolarHBondContact O-N 3.42Å; R152-T192 PolarHBondContact NE-O 3.38Å; R152-T192 PolarHBondContact NH2-O 2.77Å; R152-L194 HydrophobicContact CB-CD2 3.94Å; R152-F443 HydrophobicContact CG-CE1 4.34Å; R152-D447 IonicContact CZ-OD1 3.53Å; R152-D447 IonicContact CZ-OD2 3.6Å; R152-D447 IonicContact NH1-OD1 3.11Å; R152-D447 PolarHBondContact NH1-OD1 2.68Å; R152-D447 IonicContact NH1-OD2 3.72Å; R152-D447 IonicContact NH2-OD1 2.62Å; R152-D447 PolarHBondContact NH2-OD1 2.88Å; R152-D447 IonicContact NH2-OD2 3.41Å; R152-D447 PolarHBondContact NH2-OD2 2.78Å
153	D	96.5	Very high	98	Very high	76 Å²	76	41.6 Å²	41.6	41%	0.406	20%	0.197	S	C	.	.	H	α-helix	trans	-70.4	-46.7	-177.9	-64.6	-28.5	0	0	0	110.8	N151 L155 A156 D157 K197 Y198	N151-D153 PolarHBondContact O-N 3.38Å; D153-L155 VanDerWaalsContact C-N 3.29Å; D153-L155 PolarHBondContact O-N 2.92Å; D153-A156 PolarHBondContact O-N 3.03Å; D153-D157 PolarHBondContact O-N 3.14Å; D153-K197 IonicContact OD1-NZ 3.67Å; D153-K197 PolarHBondContact OD1-NZ 2.88Å; D153-Y198 PolarHBondContact OD1-OH 3.3Å; D153-Y198 VanDerWaalsContact OD1-OH 3.12Å
154	A	98	Very high	98	Very high	14 Å²	14	41.5 Å²	41.5	12%	0.116	20%	0.199	C	C	.	.	H	α-helix	trans	-62.1	-38.6	175.4	0	0	0	0	0	111.9	G116 N151 D157 W158	G116-A154 WeakPolarHBondContact CA-O 3.33Å; N151-A154 HydrophobicContact CB-CB 4.19Å; N151-A154 VanDerWaalsContact CG-CB 3.48Å; N151-A154 WeakPolarHBondContact OD1-CB 3.3Å; N151-A154 PolarHBondContact OD1-N 3.34Å; N151-A154 VanDerWaalsContact OD1-N 3.15Å; A154-D157 PolarHBondContact O-N 3.31Å; A154-W158 VanDerWaalsContact O-CB 3.29Å; A154-W158 WeakPolarHBondContact O-CB 3.35Å; A154-W158 PolarHBondContact O-N 3.47Å
155	L	98.4	Very high	98	Very high	1 Å²	1	44 Å²	44	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-60.5	-45.1	175.6	178.9	62.5	0	0	0	112	I150 N151 R152 D153 W158 M159 V188 L194	I150-L155 HydrophobicContact CG2-CD2 4.05Å; N151-L155 WeakPolarHBondContact O-CB 3.41Å; N151-L155 PolarHBondContact O-N 2.87Å; R152-L155 PolarHBondContact O-N 2.87Å; D153-L155 VanDerWaalsContact C-N 3.29Å; D153-L155 PolarHBondContact O-N 2.92Å; L155-W158 HydrophobicContact CD1-CE3 4.12Å; L155-W158 HydrophobicContact CD1-CZ3 4.33Å; L155-W158 PolarHBondContact O-N 2.87Å; L155-M159 HydrophobicContact CD1-CE 3.89Å; L155-M159 HydrophobicContact CG-CE 4.03Å; L155-M159 WeakPolarHBondContact O-CG 3.32Å; L155-M159 PolarHBondContact O-N 3.49Å; L155-V188 HydrophobicContact CD1-CG1 4.45Å; L155-V188 HydrophobicContact CD2-CG1 3.65Å; L155-V188 HydrophobicContact CG-CG1 4.42Å; L155-L194 HydrophobicContact CB-CD1 4.3Å; L155-L194 HydrophobicContact CD2-CD1 3.84Å; L155-L194 HydrophobicContact CG-CD1 4Å
156	A	98.2	Very high	98	Very high	2 Å²	2	45.5 Å²	45.5	2%	0.017	23%	0.234	C	C	.	.	H	α-helix	trans	-65.6	-44.6	176.6	0	0	0	0	0	112.2	R152 D153 W158 M159 R160 L194 Y198	R152-A156 PolarHBondContact O-N 3.42Å; D153-A156 PolarHBondContact O-N 3.03Å; A156-W158 VanDerWaalsContact C-N 3.3Å; A156-W158 PolarHBondContact O-N 3.43Å; A156-M159 PolarHBondContact O-N 2.86Å; A156-R160 PolarHBondContact O-N 3.01Å; A156-L194 HydrophobicContact CB-CD1 4.19Å; A156-L194 HydrophobicContact CB-CD2 4.09Å; A156-Y198 HydrophobicContact CB-CD2 3.71Å; A156-Y198 HydrophobicContact CB-CE2 3.59Å
157	D	97.9	Very high	98	Very high	91 Å²	91	45.5 Å²	45.5	49%	0.487	23%	0.234	S	C	.	.	H	α-helix	trans	-61.7	-38.8	177.2	-76.1	-16.1	0	0	0	111.9	D153 A154 K161	D153-D157 PolarHBondContact O-N 3.14Å; A154-D157 PolarHBondContact O-N 3.31Å; D157-K161 WeakPolarHBondContact O-CG 3.31Å; D157-K161 PolarHBondContact O-N 2.93Å
158	W	98.5	Very high	98	Very high	8 Å²	8	45.6 Å²	45.6	3%	0.03	24%	0.235	C	C	.	.	H	α-helix	trans	-67.3	-47.2	174.5	175.7	73.7	0	0	0	112.2	D115 A126 L128 A154 L155 A156 R160 K161 L162	D115-W158 WeakPolarHBondContact O-CB 3.42Å; A126-W158 VanDerWaalsContact C-CZ2 3.47Å; A126-W158 HydrophobicContact CB-CD2 4.33Å; A126-W158 HydrophobicContact CB-CH2 4.12Å; A126-W158 HydrophobicContact CB-CZ2 3.5Å; A126-W158 VanDerWaalsContact CB-CZ2 3.5Å; A126-W158 WeakPolarHBondContact O-CZ2 3.36Å; L128-W158 HydrophobicContact CD2-CH2 3.86Å; L128-W158 HydrophobicContact CD2-CZ3 3.65Å; L128-W158 HydrophobicContact CG-CH2 3.89Å; L128-W158 HydrophobicContact CG-CZ3 4.21Å; A154-W158 VanDerWaalsContact O-CB 3.29Å; A154-W158 WeakPolarHBondContact O-CB 3.35Å; A154-W158 PolarHBondContact O-N 3.47Å; L155-W158 HydrophobicContact CD1-CE3 4.12Å; L155-W158 HydrophobicContact CD1-CZ3 4.33Å; L155-W158 PolarHBondContact O-N 2.87Å; A156-W158 VanDerWaalsContact C-N 3.3Å; A156-W158 PolarHBondContact O-N 3.43Å; W158-R160 PolarHBondContact O-N 3.44Å; W158-K161 WeakPolarHBondContact O-CB 3.35Å; W158-K161 PolarHBondContact O-N 3.3Å; W158-L162 HydrophobicContact CD2-CD1 4.03Å; W158-L162 HydrophobicContact CE3-CD1 4.1Å; W158-L162 HydrophobicContact CH2-CD1 3.64Å; W158-L162 HydrophobicContact CZ2-CD1 3.54Å; W158-L162 HydrophobicContact CZ2-CD2 4.49Å; W158-L162 HydrophobicContact CZ2-CG 4.44Å; W158-L162 HydrophobicContact CZ3-CD1 3.94Å; W158-L162 PolarHBondContact O-N 3.39Å
159	M	98.6	Very high	98.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-55.9	-39.2	175.4	-75.4	-178.4	179.9	0	0	111.9	L128 L155 A156 K161 L162 H163 F169 A185 V188 A189 L201	L128-M159 HydrophobicContact CD2-CE 4.42Å; L128-M159 HydrophobicContact CD2-CG 4.43Å; L155-M159 HydrophobicContact CD1-CE 3.89Å; L155-M159 HydrophobicContact CG-CE 4.03Å; L155-M159 WeakPolarHBondContact O-CG 3.32Å; L155-M159 PolarHBondContact O-N 3.49Å; A156-M159 PolarHBondContact O-N 2.86Å; M159-K161 VanDerWaalsContact C-N 3.26Å; M159-K161 PolarHBondContact O-N 2.87Å; M159-L162 WeakPolarHBondContact O-CB 3.34Å; M159-L162 PolarHBondContact O-N 3.18Å; M159-H163 PolarHBondContact O-N 3.3Å; M159-F169 HydrophobicContact CB-CE1 4.39Å; M159-F169 WeakPolarHBondContact O-CE1 3.46Å; M159-A185 HydrophobicContact CE-CB 4.47Å; M159-A185 HydrophobicContact SD-CB 4.29Å; M159-V188 HydrophobicContact CE-CB 3.76Å; M159-V188 HydrophobicContact CE-CG1 3.51Å; M159-A189 HydrophobicContact SD-CB 4.41Å; M159-L201 HydrophobicContact CB-CD1 4.05Å; M159-L201 HydrophobicContact CB-CD2 4.19Å; M159-L201 HydrophobicContact SD-CD2 4.1Å
160	R	98.1	Very high	98.1	Very high	98 Å²	98	41.6 Å²	41.6	37%	0.37	21%	0.213	S	C	.	.	H	α-helix	trans	-62.6	-30.4	176.8	-167.6	177.4	-65	-83.5	6.5	113.2	A156 W158 L162 D200 L201	A156-R160 PolarHBondContact O-N 3.01Å; W158-R160 PolarHBondContact O-N 3.44Å; R160-L162 VanDerWaalsContact C-N 3.3Å; R160-D200 IonicContact CZ-OD2 2.62Å; R160-D200 IonicContact NH1-OD1 2.74Å; R160-D200 IonicContact NH1-OD2 2.7Å; R160-D200 PolarHBondContact NH1-OD2 2.73Å; R160-D200 IonicContact NH2-OD1 3.55Å; R160-D200 PolarHBondContact NH2-OD1 3.29Å; R160-D200 VanDerWaalsContact NH2-OD1 3.11Å; R160-D200 IonicContact NH2-OD2 3.79Å; R160-D200 PolarHBondContact NH2-OD2 3.23Å; R160-D200 VanDerWaalsContact NH2-OD2 3.09Å; R160-L201 HydrophobicContact CB-CD1 3.97Å
161	K	98.2	Very high	98.2	Very high	113 Å²	113	41.1 Å²	41.1	49%	0.491	21%	0.211	S	C	.	.	H	α-helix	trans	-74.6	-20.8	173.8	-62.2	168	-173.6	167.4	0	112.8	D157 W158 M159 L173	D157-K161 WeakPolarHBondContact O-CG 3.31Å; D157-K161 PolarHBondContact O-N 2.93Å; W158-K161 WeakPolarHBondContact O-CB 3.35Å; W158-K161 PolarHBondContact O-N 3.3Å; M159-K161 VanDerWaalsContact C-N 3.26Å; M159-K161 PolarHBondContact O-N 2.87Å; K161-L173 HydrophobicContact CB-CD2 3.96Å
162	L	98.6	Very high	98.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-89	-27.7	177.9	-57.2	179.3	0	0	0	112.7	L128 W158 M159 R160 Q164 F169 L170 H172 L173	L128-L162 HydrophobicContact CD1-CD1 3.81Å; L128-L162 HydrophobicContact CD2-CD1 4.01Å; L128-L162 HydrophobicContact CG-CD1 3.65Å; W158-L162 HydrophobicContact CD2-CD1 4.03Å; W158-L162 HydrophobicContact CE3-CD1 4.1Å; W158-L162 HydrophobicContact CH2-CD1 3.64Å; W158-L162 HydrophobicContact CZ2-CD1 3.54Å; W158-L162 HydrophobicContact CZ2-CD2 4.49Å; W158-L162 HydrophobicContact CZ2-CG 4.44Å; W158-L162 HydrophobicContact CZ3-CD1 3.94Å; W158-L162 PolarHBondContact O-N 3.39Å; M159-L162 WeakPolarHBondContact O-CB 3.34Å; M159-L162 PolarHBondContact O-N 3.18Å; R160-L162 VanDerWaalsContact C-N 3.3Å; L162-Q164 PolarHBondContact O-NE2 3.46Å; L162-F169 HydrophobicContact CB-CD1 4.09Å; L162-L170 HydrophobicContact CB-CB 4.44Å; L162-L170 HydrophobicContact CD2-CB 4.31Å; L162-L170 PolarHBondContact O-N 2.78Å; L162-H172 VanDerWaalsContact CD2-C 3.44Å; L162-L173 HydrophobicContact CD2-CD2 3.95Å; L162-L173 HydrophobicContact CD2-CG 4.08Å
163	H	98.5	Very high	98.2	Very high	46 Å²	46	43.4 Å²	43.4	21%	0.213	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-60.9	132.6	177.4	-176.1	-107.9	0	0	0	111	M159 F169 E203	M159-H163 PolarHBondContact O-N 3.3Å; H163-F169 HydrophobicContact CB-CD1 4.2Å; H163-F169 HydrophobicContact CB-CE1 3.75Å; H163-F169 HydrophobicContact CB-CZ 3.97Å; H163-F169 AromaticContact CD2-CE2 3.51Å; H163-F169 AromaticContact CD2-CZ 3.55Å; H163-E203 PolarHBondContact CE1-O 3.27Å; H163-E203 VanDerWaalsContact CE1-O 3.27Å; H163-E203 PolarHBondContact NE2-O 2.65Å
164	Q	98.3	Very high	98.2	Very high	55 Å²	55	43.5 Å²	43.5	26%	0.257	24%	0.241	S	C	.	.			trans	-106.6	156.9	-176.1	-61.1	-54.7	-71.9	0	0	111.3	L162 D166 G167 S168 L170	L162-Q164 PolarHBondContact O-NE2 3.46Å; Q164-D166 VanDerWaalsContact CB-OD1 3.32Å; Q164-D166 WeakPolarHBondContact CB-OD1 3.37Å; Q164-D166 PolarHBondContact O-N 3.48Å; Q164-D166 VanDerWaalsContact O-N 3.08Å; Q164-G167 PolarHBondContact O-N 3.44Å; Q164-S168 WeakPolarHBondContact CB-O 3.04Å; Q164-S168 WeakPolarHBondContact CB-OG 3.19Å; Q164-S168 WeakPolarHBondContact CG-OG 3.22Å; Q164-S168 PolarHBondContact N-O 3.47Å; Q164-L170 HydrophobicContact CG-CD2 4.17Å; Q164-L170 HydrophobicContact CG-CG 4.1Å
165	P	97.5	Very high	98.2	Very high	132 Å²	132	43.8 Å²	43.8	86%	0.857	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-23.1	-179.8	-26.4	35.5	0	0	0	115.5	G167	P165-G167 VanDerWaalsContact C-N 3.31Å
166	D	97.8	Very high	98.2	Very high	86 Å²	86	47.5 Å²	47.5	46%	0.46	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-4	177.4	71.7	-20.7	0	0	0	113.4	Q164 S168 W208	Q164-D166 VanDerWaalsContact CB-OD1 3.32Å; Q164-D166 WeakPolarHBondContact CB-OD1 3.37Å; Q164-D166 PolarHBondContact O-N 3.48Å; Q164-D166 VanDerWaalsContact O-N 3.08Å; D166-S168 VanDerWaalsContact OD1-CB 3.26Å; D166-S168 WeakPolarHBondContact OD1-CB 3.46Å; D166-S168 PolarHBondContact OD1-N 3.13Å; D166-S168 PolarHBondContact OD1-OG 2.86Å; D166-W208 WeakPolarHBondContact O-CB 3.44Å; D166-W208 PolarHBondContact OD2-NE1 3.22Å
167	G	98.4	Very high	98.2	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.27	C	S	.	.	S	Bend	trans	97	-10.1	-176.4	0	0	0	0	0	114.4	Q164 P165 T205	Q164-G167 PolarHBondContact O-N 3.44Å; P165-G167 VanDerWaalsContact C-N 3.31Å; G167-T205 VanDerWaalsContact O-CA 3.27Å; G167-T205 WeakPolarHBondContact O-CA 3.27Å; G167-T205 WeakPolarHBondContact O-CB 3.15Å; G167-T205 WeakPolarHBondContact O-CG2 3.25Å; G167-T205 PolarHBondContact O-OG1 3.46Å
168	S	98.6	Very high	98.2	Very high	4 Å²	4	44.5 Å²	44.5	3%	0.028	25%	0.249	C	C	.	.			trans	-71.3	165.9	176.8	72	0	0	0	0	112.5	Q164 D166 W208	Q164-S168 WeakPolarHBondContact CB-O 3.04Å; Q164-S168 WeakPolarHBondContact CB-OG 3.19Å; Q164-S168 WeakPolarHBondContact CG-OG 3.22Å; Q164-S168 PolarHBondContact N-O 3.47Å; D166-S168 VanDerWaalsContact OD1-CB 3.26Å; D166-S168 WeakPolarHBondContact OD1-CB 3.46Å; D166-S168 PolarHBondContact OD1-N 3.13Å; D166-S168 PolarHBondContact OD1-OG 2.86Å; S168-W208 VanDerWaalsContact CB-CZ2 3.46Å
169	F	98.8	Very high	98.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-121.4	134	171.2	-79.8	-99.7	0	0	0	109.8	L128 M159 L162 H163 A185 L201 F202 T205	L128-F169 HydrophobicContact CD1-CB 4.07Å; M159-F169 HydrophobicContact CB-CE1 4.39Å; M159-F169 WeakPolarHBondContact O-CE1 3.46Å; L162-F169 HydrophobicContact CB-CD1 4.09Å; H163-F169 HydrophobicContact CB-CD1 4.2Å; H163-F169 HydrophobicContact CB-CE1 3.75Å; H163-F169 HydrophobicContact CB-CZ 3.97Å; H163-F169 AromaticContact CD2-CE2 3.51Å; H163-F169 AromaticContact CD2-CZ 3.55Å; F169-A185 HydrophobicContact CD1-CB 3.94Å; F169-A185 HydrophobicContact CD2-CB 4.47Å; F169-A185 HydrophobicContact CE1-CB 3.98Å; F169-A185 HydrophobicContact CE2-CB 4.5Å; F169-A185 HydrophobicContact CG-CB 4.19Å; F169-A185 HydrophobicContact CZ-CB 4.27Å; F169-L201 WeakPolarHBondContact CZ-O 3.34Å; F169-F202 HydrophobicContact CE1-CE1 4.5Å; F169-F202 AromaticContact CE2-CD1 3.55Å; F169-F202 HydrophobicContact CE2-CD1 3.55Å; F169-F202 AromaticContact CE2-CE1 3.8Å; F169-F202 HydrophobicContact CE2-CE1 3.8Å; F169-F202 AromaticContact CZ-CD1 3.62Å; F169-F202 HydrophobicContact CZ-CD1 3.62Å; F169-F202 AromaticContact CZ-CE1 3.62Å; F169-F202 HydrophobicContact CZ-CE1 3.62Å; F169-F202 HydrophobicContact CZ-CG 4.45Å; F169-F202 HydrophobicContact CZ-CZ 4.47Å; F169-T205 HydrophobicContact CD2-CG2 4.28Å; F169-T205 HydrophobicContact CE2-CG2 4.04Å; F169-T205 WeakPolarHBondContact CE2-OG1 3.27Å
170	L	98.7	Very high	98.2	Very high	30 Å²	30	48 Å²	48	16%	0.157	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-69	142.9	165.1	-56.4	178.8	0	0	0	110	L128 L162 Q164 H172 E176 A177	L128-L170 WeakPolarHBondContact CD1-O 3.32Å; L162-L170 HydrophobicContact CB-CB 4.44Å; L162-L170 HydrophobicContact CD2-CB 4.31Å; L162-L170 PolarHBondContact O-N 2.78Å; Q164-L170 HydrophobicContact CG-CD2 4.17Å; Q164-L170 HydrophobicContact CG-CG 4.1Å; L170-H172 VanDerWaalsContact C-N 3.27Å; L170-H172 WeakPolarHBondContact CB-O 3.23Å; L170-H172 PolarHBondContact O-N 2.82Å; L170-E176 CarbonylContact C-O 3.55Å; L170-E176 WeakPolarHBondContact CA-O 3.14Å; L170-A177 HydrophobicContact CD2-CB 3.91Å
171	M	98.7	Very high	98.3	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	25%	0.245	C	C	.	.	S	Bend	trans	-65.7	-31.8	176.2	-69.2	-58.1	-66.6	0	0	112.7	H127 L128 A129 E176 R180 G181	H127-M171 CarbonylContact C-O 3.57Å; H127-M171 WeakPolarHBondContact CA-O 3.48Å; H127-M171 WeakPolarHBondContact CE1-CE 3.46Å; L128-M171 HydrophobicContact CB-CE 4.22Å; L128-M171 HydrophobicContact CB-SD 4.46Å; L128-M171 PolarHBondContact N-O 3.16Å; A129-M171 HydrophobicContact CB-CE 3.72Å; M171-E176 HydrophobicContact CG-CG 3.96Å; M171-E176 WeakPolarHBondContact CG-OE1 3.38Å; M171-E176 PolarHBondContact N-O 2.91Å; M171-R180 HydrophobicContact CE-CB 4.14Å; M171-R180 HydrophobicContact SD-CB 3.91Å; M171-G181 WeakPolarHBondContact SD-CA 3.23Å; M171-G181 PolarHBondContact SD-N 3.07Å
172	H	98.6	Very high	98.3	Very high	54 Å²	54	38 Å²	38	25%	0.25	22%	0.222	C	C	.	.	S	Bend	trans	-156	172.3	169.7	67.3	89.5	0	0	0	109	A126 H127 L162 L170 G174 G175	A126-H172 VanDerWaalsContact O-CB 3.3Å; A126-H172 WeakPolarHBondContact O-CB 3.43Å; H127-H172 HydrophobicContact CB-CB 4.34Å; H127-H172 AromaticContact CD2-CD2 3.37Å; H127-H172 PolarHBondContact CD2-CD2 2.89Å; H127-H172 AromaticContact CD2-CG 3.94Å; H127-H172 AromaticContact NE2-CD2 3.84Å; L162-H172 VanDerWaalsContact CD2-C 3.44Å; L170-H172 VanDerWaalsContact C-N 3.27Å; L170-H172 WeakPolarHBondContact CB-O 3.23Å; L170-H172 PolarHBondContact O-N 2.82Å; H172-G174 PolarHBondContact O-N 3.45Å; H172-G174 VanDerWaalsContact O-N 3.09Å; H172-G175 VanDerWaalsContact CE1-CA 3.49Å; H172-G175 WeakPolarHBondContact CE1-CA 3.49Å; H172-G175 PolarHBondContact CE1-N 3.02Å; H172-G175 VanDerWaalsContact NE2-CA 3.29Å; H172-G175 WeakPolarHBondContact NE2-CA 3.38Å; H172-G175 PolarHBondContact O-N 2.88Å
173	L	97.5	Very high	98.3	Very high	101 Å²	101	38.2 Å²	38.2	53%	0.529	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	118.4	176.5	-68.4	173.3	0	0	0	110.4	K161 L162 G175	K161-L173 HydrophobicContact CB-CD2 3.96Å; L162-L173 HydrophobicContact CD2-CD2 3.95Å; L162-L173 HydrophobicContact CD2-CG 4.08Å; L173-G175 VanDerWaalsContact C-N 3.31Å
174	G	96.6	Very high	98.3	Very high	77 Å²	77	36.2 Å²	36.2	79%	0.794	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.7	6.7	-176.3	0	0	0	0	0	115.5	H172	H172-G174 PolarHBondContact O-N 3.45Å; H172-G174 VanDerWaalsContact O-N 3.09Å
175	G	98	Very high	98.3	Very high	20 Å²	20	33.6 Å²	33.6	21%	0.206	20%	0.202	C	C	.	.			trans	-84.2	-170.8	177.1	0	0	0	0	0	113.9	H172 L173	H172-G175 VanDerWaalsContact CE1-CA 3.49Å; H172-G175 WeakPolarHBondContact CE1-CA 3.49Å; H172-G175 PolarHBondContact CE1-N 3.02Å; H172-G175 VanDerWaalsContact NE2-CA 3.29Å; H172-G175 WeakPolarHBondContact NE2-CA 3.38Å; H172-G175 PolarHBondContact O-N 2.88Å; L173-G175 VanDerWaalsContact C-N 3.31Å
176	E	98.2	Very high	98.4	Very high	79 Å²	79	27.3 Å²	27.3	37%	0.369	16%	0.161	S	C	.	.			trans	-75	158.9	174.5	77.7	-78.9	-160.2	0	0	112.8	L170 M171 R180	L170-E176 CarbonylContact C-O 3.55Å; L170-E176 WeakPolarHBondContact CA-O 3.14Å; M171-E176 HydrophobicContact CG-CG 3.96Å; M171-E176 WeakPolarHBondContact CG-OE1 3.38Å; M171-E176 PolarHBondContact N-O 2.91Å; E176-R180 IonicContact OE1-CZ 3.11Å; E176-R180 IonicContact OE1-NH2 2.85Å; E176-R180 PolarHBondContact OE1-NH2 3.12Å
177	A	98.2	Very high	98.4	Very high	19 Å²	19	23.2 Å²	23.2	16%	0.157	14%	0.139	C	C	.	.	B	Isolated β-bridge	trans	-116.5	123.2	170.9	0	0	0	0	0	109.7	L170 Q222	L170-A177 HydrophobicContact CD2-CB 3.91Å; A177-Q222 PolarHBondContact O-NE2 3Å
178	D	98.7	Very high	98.4	Very high	11 Å²	11	23.3 Å²	23.3	6%	0.059	14%	0.139	C	C	.	.	S	Bend	trans	-155.2	174.7	170	62.4	61.2	0	0	0	109.6	R180 G181 G221 Q222	D178-R180 VanDerWaalsContact CG-NE 3.34Å; D178-R180 PolarHBondContact O-N 2.84Å; D178-R180 WeakPolarHBondContact OD1-CA 3.48Å; D178-R180 WeakPolarHBondContact OD1-CB 3.25Å; D178-R180 WeakPolarHBondContact OD1-CG 3.48Å; D178-R180 IonicContact OD1-CZ 3.98Å; D178-R180 PolarHBondContact OD1-N 2.93Å; D178-R180 IonicContact OD1-NE 3.41Å; D178-R180 PolarHBondContact OD1-NE 2.93Å; D178-R180 IonicContact OD1-NH2 3.99Å; D178-R180 IonicContact OD2-CZ 2.71Å; D178-R180 VanDerWaalsContact OD2-CZ 3.26Å; D178-R180 IonicContact OD2-NE 2.72Å; D178-R180 PolarHBondContact OD2-NE 3.09Å; D178-R180 VanDerWaalsContact OD2-NE 3.08Å; D178-R180 IonicContact OD2-NH2 3.93Å; D178-R180 PolarHBondContact OD2-NH2 3.22Å; D178-G181 PolarHBondContact O-N 3.44Å; D178-G221 CarbonylContact C-O 3.57Å; D178-G221 WeakPolarHBondContact CA-O 3.29Å; D178-G221 WeakPolarHBondContact CB-O 3.49Å; D178-Q222 HydrophobicContact CB-CG 4.32Å
179	V	98.6	Very high	98.4	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-60.6	-15.2	-176	-63.5	0	0	0	0	114.3	G181 A182 Y183 W208 C212 G221 Y231 C234	V179-G181 VanDerWaalsContact C-N 3.27Å; V179-G181 PolarHBondContact O-N 3.22Å; V179-A182 PolarHBondContact O-N 3.4Å; V179-Y183 PolarHBondContact O-N 2.94Å; V179-W208 HydrophobicContact CB-CZ3 4.44Å; V179-W208 HydrophobicContact CG1-CH2 4.13Å; V179-W208 HydrophobicContact CG1-CZ3 3.76Å; V179-C212 HydrophobicContact CG1-CB 3.89Å; V179-C212 VanDerWaalsContact CG1-SG 3.55Å; V179-G221 PolarHBondContact N-O 2.91Å; V179-Y231 HydrophobicContact CG2-CD1 3.6Å; V179-Y231 HydrophobicContact CG2-CG 3.94Å; V179-C234 HydrophobicContact CB-CB 4.4Å; V179-C234 HydrophobicContact CG2-CB 4.07Å
180	R	98.8	Very high	98.3	Very high	83 Å²	83	26.5 Å²	26.5	31%	0.313	15%	0.153	S	C	.	.	H	α-helix	trans	-64.2	-36.6	170.9	-58.6	173	-66.1	154.2	3.2	110.7	M171 E176 D178 Y183 C184 Y231	M171-R180 HydrophobicContact CE-CB 4.14Å; M171-R180 HydrophobicContact SD-CB 3.91Å; E176-R180 IonicContact OE1-CZ 3.11Å; E176-R180 IonicContact OE1-NH2 2.85Å; E176-R180 PolarHBondContact OE1-NH2 3.12Å; D178-R180 VanDerWaalsContact CG-NE 3.34Å; D178-R180 PolarHBondContact O-N 2.84Å; D178-R180 WeakPolarHBondContact OD1-CA 3.48Å; D178-R180 WeakPolarHBondContact OD1-CB 3.25Å; D178-R180 WeakPolarHBondContact OD1-CG 3.48Å; D178-R180 IonicContact OD1-CZ 3.98Å; D178-R180 PolarHBondContact OD1-N 2.93Å; D178-R180 IonicContact OD1-NE 3.41Å; D178-R180 PolarHBondContact OD1-NE 2.93Å; D178-R180 IonicContact OD1-NH2 3.99Å; D178-R180 IonicContact OD2-CZ 2.71Å; D178-R180 VanDerWaalsContact OD2-CZ 3.26Å; D178-R180 IonicContact OD2-NE 2.72Å; D178-R180 PolarHBondContact OD2-NE 3.09Å; D178-R180 VanDerWaalsContact OD2-NE 3.08Å; D178-R180 IonicContact OD2-NH2 3.93Å; D178-R180 PolarHBondContact OD2-NH2 3.22Å; R180-Y183 PolarHBondContact O-N 3.23Å; R180-C184 VanDerWaalsContact O-CB 3.28Å; R180-C184 WeakPolarHBondContact O-CB 3.17Å; R180-C184 PolarHBondContact O-N 3.49Å; R180-C184 PolarHBondContact O-SG 2.93Å; R180-Y231 HydrophobicContact CG-CD1 4.11Å; R180-Y231 HydrophobicContact CG-CE1 3.86Å
181	G	98.7	Very high	98.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-63	-49.3	177.3	0	0	0	0	0	110.7	L128 M171 D178 V179 Y183 C184 A185	L128-G181 WeakPolarHBondContact CD1-O 3.47Å; M171-G181 WeakPolarHBondContact SD-CA 3.23Å; M171-G181 PolarHBondContact SD-N 3.07Å; D178-G181 PolarHBondContact O-N 3.44Å; V179-G181 VanDerWaalsContact C-N 3.27Å; V179-G181 PolarHBondContact O-N 3.22Å; G181-Y183 PolarHBondContact O-N 3.34Å; G181-C184 PolarHBondContact O-N 3.28Å; G181-A185 VanDerWaalsContact O-CB 3.29Å; G181-A185 WeakPolarHBondContact O-CB 3.11Å; G181-A185 PolarHBondContact O-N 2.62Å
182	A	98.7	Very high	98.1	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-58.3	-46.7	176.7	0	0	0	0	0	111.9	V179 T186 T205 W208 V209 T238	V179-A182 PolarHBondContact O-N 3.4Å; A182-T186 VanDerWaalsContact O-CB 3.24Å; A182-T186 WeakPolarHBondContact O-CB 3.49Å; A182-T186 PolarHBondContact O-N 2.7Å; A182-T186 PolarHBondContact O-OG1 2.74Å; A182-T205 HydrophobicContact CB-CG2 3.98Å; A182-W208 HydrophobicContact CB-CZ3 4.34Å; A182-V209 HydrophobicContact CB-CG2 3.7Å; A182-T238 HydrophobicContact CB-CG2 4.25Å
183	Y	98.8	Very high	98	Very high	4 Å²	4	23.3 Å²	23.3	2%	0.016	14%	0.142	C	C	.	.	H	α-helix	trans	-65.2	-51.3	178.2	172.2	-113.6	0	0	0	112.9	Y132 V179 R180 G181 A185 T186 A187 F233 C234 A237 T238 L241 T428	Y132-Y183 HydrophobicContact CD2-CE1 4.21Å; Y132-Y183 AromaticContact CE2-CE1 3.6Å; Y132-Y183 HydrophobicContact CE2-CE1 3.6Å; Y132-Y183 AromaticContact CE2-CZ 3.69Å; Y132-Y183 WeakPolarHBondContact CE2-OH 3.28Å; Y132-Y183 AromaticContact CZ-CE1 3.87Å; Y132-Y183 PolarHBondContact OH-OH 3.12Å; V179-Y183 PolarHBondContact O-N 2.94Å; R180-Y183 PolarHBondContact O-N 3.23Å; G181-Y183 PolarHBondContact O-N 3.34Å; Y183-A185 VanDerWaalsContact C-N 3.3Å; Y183-A185 PolarHBondContact O-N 2.73Å; Y183-T186 PolarHBondContact O-N 3.4Å; Y183-A187 HydrophobicContact CD2-CB 4.29Å; Y183-A187 HydrophobicContact CE2-CB 3.86Å; Y183-A187 VanDerWaalsContact O-CB 3.26Å; Y183-A187 WeakPolarHBondContact O-CB 3.42Å; Y183-A187 PolarHBondContact O-N 2.84Å; Y183-F233 AromaticContact CE1-CE1 3.92Å; Y183-F233 HydrophobicContact CE1-CE1 3.92Å; Y183-F233 HydrophobicContact CE2-CE1 4Å; Y183-F233 AromaticContact CZ-CE1 3.58Å; Y183-C234 HydrophobicContact CD1-CB 4.42Å; Y183-C234 HydrophobicContact CG-CB 4.09Å; Y183-A237 HydrophobicContact CD2-CB 3.8Å; Y183-A237 HydrophobicContact CE2-CB 3.65Å; Y183-T238 WeakPolarHBondContact CA-OG1 3.46Å; Y183-T238 WeakPolarHBondContact CB-OG1 3.2Å; Y183-T238 PolarHBondContact N-OG1 2.94Å; Y183-L241 HydrophobicContact CE2-CD1 4.38Å; Y183-T428 WeakPolarHBondContact CE2-O 3.39Å; Y183-T428 PolarHBondContact OH-O 2.9Å
184	C	98.9	Very high	98	Very high	5 Å²	5	18.5 Å²	18.5	3%	0.034	12%	0.117	C	C	.	.	H	α-helix	trans	-60.1	-42.3	-178.2	-68.8	0	0	0	0	111.3	L128 R180 G181 V188	L128-C184 HydrophobicContact CB-CB 3.81Å; R180-C184 VanDerWaalsContact O-CB 3.28Å; R180-C184 WeakPolarHBondContact O-CB 3.17Å; R180-C184 PolarHBondContact O-N 3.49Å; R180-C184 PolarHBondContact O-SG 2.93Å; G181-C184 PolarHBondContact O-N 3.28Å; C184-V188 VanDerWaalsContact O-CB 3.31Å; C184-V188 WeakPolarHBondContact O-CB 3.22Å; C184-V188 VanDerWaalsContact O-CG2 3.23Å; C184-V188 WeakPolarHBondContact O-CG2 3.33Å; C184-V188 PolarHBondContact O-N 3.04Å; C184-V188 VanDerWaalsContact O-N 3.16Å
185	A	98.8	Very high	97.9	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-63.9	-48.5	176	0	0	0	0	0	111.4	L128 M159 F169 G181 Y183 A189 F202	L128-A185 HydrophobicContact CD1-CB 4.26Å; L128-A185 HydrophobicContact CD2-CB 3.95Å; M159-A185 HydrophobicContact CE-CB 4.47Å; M159-A185 HydrophobicContact SD-CB 4.29Å; F169-A185 HydrophobicContact CD1-CB 3.94Å; F169-A185 HydrophobicContact CD2-CB 4.47Å; F169-A185 HydrophobicContact CE1-CB 3.98Å; F169-A185 HydrophobicContact CE2-CB 4.5Å; F169-A185 HydrophobicContact CG-CB 4.19Å; F169-A185 HydrophobicContact CZ-CB 4.27Å; G181-A185 VanDerWaalsContact O-CB 3.29Å; G181-A185 WeakPolarHBondContact O-CB 3.11Å; G181-A185 PolarHBondContact O-N 2.62Å; Y183-A185 VanDerWaalsContact C-N 3.3Å; Y183-A185 PolarHBondContact O-N 2.73Å; A185-A189 WeakPolarHBondContact O-CB 3.27Å; A185-A189 PolarHBondContact O-N 3.5Å; A185-F202 HydrophobicContact CB-CE1 3.84Å; A185-F202 HydrophobicContact CB-CZ 4.28Å
186	T	98.4	Very high	97.7	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-65.5	-46.3	-177.4	-56.2	0	0	0	0	112.2	A182 Y183 A189 K190 F202 T238 L241 L242	A182-T186 VanDerWaalsContact O-CB 3.24Å; A182-T186 WeakPolarHBondContact O-CB 3.49Å; A182-T186 PolarHBondContact O-N 2.7Å; A182-T186 PolarHBondContact O-OG1 2.74Å; Y183-T186 PolarHBondContact O-N 3.4Å; T186-A189 PolarHBondContact O-N 3.4Å; T186-K190 WeakPolarHBondContact O-CB 3.29Å; T186-K190 PolarHBondContact O-N 3.41Å; T186-F202 VanDerWaalsContact OG1-CE1 3.29Å; T186-F202 WeakPolarHBondContact OG1-CE1 3.47Å; T186-T238 HydrophobicContact CG2-CG2 4.4Å; T186-L241 HydrophobicContact CG2-CB 3.56Å; T186-L241 HydrophobicContact CG2-CD1 4.13Å; T186-L242 HydrophobicContact CG2-CD2 3.74Å; T186-L242 HydrophobicContact CG2-CG 3.82Å
187	A	98.2	Very high	97.5	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-62.8	-47.2	179.9	0	0	0	0	0	111.3	Y132 Y183 A189 K190 L191 L241	Y132-A187 HydrophobicContact CD2-CB 4.08Å; Y132-A187 HydrophobicContact CE2-CB 4.05Å; Y183-A187 HydrophobicContact CD2-CB 4.29Å; Y183-A187 HydrophobicContact CE2-CB 3.86Å; Y183-A187 VanDerWaalsContact O-CB 3.26Å; Y183-A187 WeakPolarHBondContact O-CB 3.42Å; Y183-A187 PolarHBondContact O-N 2.84Å; A187-A189 VanDerWaalsContact C-N 3.34Å; A187-A189 PolarHBondContact O-N 3.35Å; A187-K190 PolarHBondContact O-N 3.49Å; A187-L191 VanDerWaalsContact O-CB 3.26Å; A187-L191 WeakPolarHBondContact O-CB 3.4Å; A187-L191 PolarHBondContact O-N 3.32Å; A187-L241 HydrophobicContact CB-CD1 4.17Å
188	V	98.5	Very high	97.4	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.006	11%	0.112	C	C	.	.	H	α-helix	trans	-62.4	-43.4	175.6	168.7	0	0	0	0	110.8	V135 L155 M159 C184 L191 T192	V135-V188 HydrophobicContact CB-CG1 4.49Å; V135-V188 HydrophobicContact CB-CG2 4.18Å; V135-V188 HydrophobicContact CG1-CG1 4.43Å; V135-V188 HydrophobicContact CG1-CG2 4.49Å; V135-V188 HydrophobicContact CG2-CG1 3.99Å; V135-V188 HydrophobicContact CG2-CG2 4.3Å; L155-V188 HydrophobicContact CD1-CG1 4.45Å; L155-V188 HydrophobicContact CD2-CG1 3.65Å; L155-V188 HydrophobicContact CG-CG1 4.42Å; M159-V188 HydrophobicContact CE-CB 3.76Å; M159-V188 HydrophobicContact CE-CG1 3.51Å; C184-V188 VanDerWaalsContact O-CB 3.31Å; C184-V188 WeakPolarHBondContact O-CB 3.22Å; C184-V188 VanDerWaalsContact O-CG2 3.23Å; C184-V188 WeakPolarHBondContact O-CG2 3.33Å; C184-V188 PolarHBondContact O-N 3.04Å; C184-V188 VanDerWaalsContact O-N 3.16Å; V188-L191 PolarHBondContact O-N 3.42Å; V188-T192 HydrophobicContact CG1-CG2 4.38Å; V188-T192 WeakPolarHBondContact O-CB 3.36Å; V188-T192 WeakPolarHBondContact O-CG2 3.38Å; V188-T192 PolarHBondContact O-N 3.4Å; V188-T192 PolarHBondContact O-OG1 3.2Å
189	A	98.2	Very high	97.1	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-66.9	-38.6	-179.6	0	0	0	0	0	112.7	M159 A185 T186 A187 G193 L194 L195 F202	M159-A189 HydrophobicContact SD-CB 4.41Å; A185-A189 WeakPolarHBondContact O-CB 3.27Å; A185-A189 PolarHBondContact O-N 3.5Å; T186-A189 PolarHBondContact O-N 3.4Å; A187-A189 VanDerWaalsContact C-N 3.34Å; A187-A189 PolarHBondContact O-N 3.35Å; A189-G193 CarbonylContact O-C 3.58Å; A189-G193 PolarHBondContact O-N 3.12Å; A189-L194 HydrophobicContact CB-CB 4.03Å; A189-L194 WeakPolarHBondContact O-CA 3.36Å; A189-L194 PolarHBondContact O-N 2.72Å; A189-L195 HydrophobicContact CB-CB 4.24Å; A189-L195 PolarHBondContact O-N 3.03Å; A189-F202 HydrophobicContact CB-CE2 3.65Å; A189-F202 HydrophobicContact CB-CZ 3.56Å
190	K	96	Very high	96.9	Very high	72 Å²	72	33 Å²	33	31%	0.313	16%	0.162	S	C	.	.	H	α-helix	trans	-64.2	-52.6	174.4	-173.6	80.1	172.8	-164.2	0	110.5	T186 A187 T192 G193 L195 L241 E243	T186-K190 WeakPolarHBondContact O-CB 3.29Å; T186-K190 PolarHBondContact O-N 3.41Å; A187-K190 PolarHBondContact O-N 3.49Å; K190-T192 VanDerWaalsContact C-N 3.29Å; K190-T192 PolarHBondContact O-N 2.68Å; K190-G193 PolarHBondContact O-N 3.27Å; K190-L195 HydrophobicContact CB-CD2 4.33Å; K190-L195 HydrophobicContact CD-CD2 3.61Å; K190-L241 HydrophobicContact CB-CD2 4.34Å; K190-L241 HydrophobicContact CG-CD2 4.01Å; K190-E243 IonicContact NZ-OE1 3.59Å
191	L	96.3	Very high	96.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-62.6	-36.5	-175.3	-173.3	56.2	0	0	0	112.2	V135 N136 A139 A187 V188 G193 I431 L436 T439 V440	V135-L191 HydrophobicContact CG1-CD2 4.03Å; N136-L191 WeakPolarHBondContact OD1-CD2 3.35Å; A139-L191 HydrophobicContact CB-CD2 3.94Å; A187-L191 VanDerWaalsContact O-CB 3.26Å; A187-L191 WeakPolarHBondContact O-CB 3.4Å; A187-L191 PolarHBondContact O-N 3.32Å; V188-L191 PolarHBondContact O-N 3.42Å; L191-G193 VanDerWaalsContact C-N 3.35Å; L191-I431 HydrophobicContact CD1-CD1 4Å; L191-I431 HydrophobicContact CD2-CD1 3.96Å; L191-L436 HydrophobicContact CD1-CD1 3.65Å; L191-T439 HydrophobicContact CD1-CG2 3.74Å; L191-T439 HydrophobicContact CG-CG2 3.78Å; L191-V440 HydrophobicContact CD1-CG2 4.17Å
192	T	97.7	Very high	96.8	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	7.7	177.4	62.1	0	0	0	0	113.7	V135 I150 R152 V188 K190 L194 F443	V135-T192 HydrophobicContact CG1-CG2 3.85Å; I150-T192 HydrophobicContact CD1-CG2 4.39Å; I150-T192 HydrophobicContact CG2-CG2 4.28Å; R152-T192 PolarHBondContact NE-O 3.38Å; R152-T192 PolarHBondContact NH2-O 2.77Å; V188-T192 HydrophobicContact CG1-CG2 4.38Å; V188-T192 WeakPolarHBondContact O-CB 3.36Å; V188-T192 WeakPolarHBondContact O-CG2 3.38Å; V188-T192 PolarHBondContact O-N 3.4Å; V188-T192 PolarHBondContact O-OG1 3.2Å; K190-T192 VanDerWaalsContact C-N 3.29Å; K190-T192 PolarHBondContact O-N 2.68Å; T192-L194 PolarHBondContact O-N 2.73Å; T192-L194 VanDerWaalsContact O-N 3.09Å; T192-L194 WeakPolarHBondContact OG1-CD1 3.18Å; T192-L194 WeakPolarHBondContact OG1-CG 3.45Å; T192-F443 HydrophobicContact CG2-CE2 4.08Å
193	G	96.4	Very high	96.8	Very high	18 Å²	18	36.3 Å²	36.3	19%	0.186	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.1	0.9	-179.1	0	0	0	0	0	115.7	A189 K190 L191 L195 K196 K197	A189-G193 CarbonylContact O-C 3.58Å; A189-G193 PolarHBondContact O-N 3.12Å; K190-G193 PolarHBondContact O-N 3.27Å; L191-G193 VanDerWaalsContact C-N 3.35Å; G193-L195 VanDerWaalsContact C-N 3.3Å; G193-L195 PolarHBondContact O-N 3.27Å; G193-K196 PolarHBondContact O-N 3.26Å; G193-K197 PolarHBondContact O-N 2.95Å
194	L	97.3	Very high	96.7	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-63.8	-32.1	178.6	-69.2	177.8	0	0	0	113.1	R152 L155 A156 A189 T192 K196 K197 Y198	R152-L194 HydrophobicContact CB-CD2 3.94Å; L155-L194 HydrophobicContact CB-CD1 4.3Å; L155-L194 HydrophobicContact CD2-CD1 3.84Å; L155-L194 HydrophobicContact CG-CD1 4Å; A156-L194 HydrophobicContact CB-CD1 4.19Å; A156-L194 HydrophobicContact CB-CD2 4.09Å; A189-L194 HydrophobicContact CB-CB 4.03Å; A189-L194 WeakPolarHBondContact O-CA 3.36Å; A189-L194 PolarHBondContact O-N 2.72Å; T192-L194 PolarHBondContact O-N 2.73Å; T192-L194 VanDerWaalsContact O-N 3.09Å; T192-L194 WeakPolarHBondContact OG1-CD1 3.18Å; T192-L194 WeakPolarHBondContact OG1-CG 3.45Å; L194-K196 VanDerWaalsContact C-N 3.27Å; L194-K196 PolarHBondContact O-N 2.94Å; L194-K197 HydrophobicContact CD2-CD 4.46Å; L194-K197 PolarHBondContact O-N 3.48Å; L194-K197 VanDerWaalsContact O-N 3.13Å; L194-Y198 HydrophobicContact CB-CD2 4.47Å; L194-Y198 HydrophobicContact CD2-CD2 3.89Å; L194-Y198 HydrophobicContact CD2-CE2 3.64Å; L194-Y198 PolarHBondContact O-N 3.46Å
195	L	94.8	Very high	96.7	Very high	27 Å²	27	38.6 Å²	38.6	14%	0.141	20%	0.197	C	C	.	.	H	α-helix	trans	-59.6	-39.4	177.9	-177.1	64.4	0	0	0	111.6	A189 K190 G193 F202 L241 L242	A189-L195 HydrophobicContact CB-CB 4.24Å; A189-L195 PolarHBondContact O-N 3.03Å; K190-L195 HydrophobicContact CB-CD2 4.33Å; K190-L195 HydrophobicContact CD-CD2 3.61Å; G193-L195 VanDerWaalsContact C-N 3.3Å; G193-L195 PolarHBondContact O-N 3.27Å; L195-F202 HydrophobicContact CD1-CD2 3.34Å; L195-F202 HydrophobicContact CD1-CE2 3.55Å; L195-F202 HydrophobicContact CD1-CG 4.28Å; L195-L241 WeakPolarHBondContact CD2-O 3.46Å; L195-L242 HydrophobicContact CD1-CD2 3.78Å; L195-L242 HydrophobicContact CD2-CD2 4.43Å
196	K	93.7	Very high	96.7	Very high	167 Å²	167	38.8 Å²	38.8	73%	0.726	20%	0.198	S	C	*	.	H	α-helix	trans	-74.2	-36.5	175.5	-176.9	-178.3	176	-172.9	0	111.8	G193 L194	G193-K196 PolarHBondContact O-N 3.26Å; L194-K196 VanDerWaalsContact C-N 3.27Å; L194-K196 PolarHBondContact O-N 2.94Å
197	K	94.9	Very high	96.7	Very high	81 Å²	81	42.8 Å²	42.8	35%	0.352	22%	0.217	S	C	.	.	H	α-helix	trans	-72.8	-34.8	-177.1	-170.5	175	173.2	-172	0	112.8	D153 G193 L194	D153-K197 IonicContact OD1-NZ 3.67Å; D153-K197 PolarHBondContact OD1-NZ 2.88Å; G193-K197 PolarHBondContact O-N 2.95Å; L194-K197 HydrophobicContact CD2-CD 4.46Å; L194-K197 PolarHBondContact O-N 3.48Å; L194-K197 VanDerWaalsContact O-N 3.13Å
198	Y	95.8	Very high	96.8	Very high	53 Å²	53	43.7 Å²	43.7	21%	0.208	22%	0.22	C	C	.	.			trans	-128.8	75.2	-177.4	-56.8	-72.6	0	0	0	110.8	D153 A156 L194 D200 L201	D153-Y198 PolarHBondContact OD1-OH 3.3Å; D153-Y198 VanDerWaalsContact OD1-OH 3.12Å; A156-Y198 HydrophobicContact CB-CD2 3.71Å; A156-Y198 HydrophobicContact CB-CE2 3.59Å; L194-Y198 HydrophobicContact CB-CD2 4.47Å; L194-Y198 HydrophobicContact CD2-CD2 3.89Å; L194-Y198 HydrophobicContact CD2-CE2 3.64Å; L194-Y198 PolarHBondContact O-N 3.46Å; Y198-D200 PolarHBondContact O-N 3.05Å; Y198-D200 VanDerWaalsContact O-N 3.14Å; Y198-L201 VanDerWaalsContact O-CB 3.31Å; Y198-L201 WeakPolarHBondContact O-CB 3.48Å; Y198-L201 PolarHBondContact O-N 3.44Å; Y198-L201 VanDerWaalsContact O-N 3.14Å
199	P	91.5	Very high	96.8	Very high	106 Å²	106	43.6 Å²	43.6	69%	0.688	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-17.9	-174	26.4	-35.5	0	0	0	114.2
200	D	95.4	Very high	96.8	Very high	77 Å²	77	44.6 Å²	44.6	41%	0.412	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-10.1	178.7	67.8	-45.2	0	0	0	113.6	R160 Y198 F202 E203	R160-D200 IonicContact CZ-OD2 2.62Å; R160-D200 IonicContact NH1-OD1 2.74Å; R160-D200 IonicContact NH1-OD2 2.7Å; R160-D200 PolarHBondContact NH1-OD2 2.73Å; R160-D200 IonicContact NH2-OD1 3.55Å; R160-D200 PolarHBondContact NH2-OD1 3.29Å; R160-D200 VanDerWaalsContact NH2-OD1 3.11Å; R160-D200 IonicContact NH2-OD2 3.79Å; R160-D200 PolarHBondContact NH2-OD2 3.23Å; R160-D200 VanDerWaalsContact NH2-OD2 3.09Å; Y198-D200 PolarHBondContact O-N 3.05Å; Y198-D200 VanDerWaalsContact O-N 3.14Å; D200-F202 PolarHBondContact O-N 3.46Å; D200-F202 VanDerWaalsContact O-N 3.15Å; D200-E203 PolarHBondContact O-N 3.4Å
201	L	97	Very high	96.9	Very high	2 Å²	2	44 Å²	44	1%	0.01	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-24.3	-174.2	-177.9	59.2	0	0	0	113.7	M159 R160 F169 Y198	M159-L201 HydrophobicContact CB-CD1 4.05Å; M159-L201 HydrophobicContact CB-CD2 4.19Å; M159-L201 HydrophobicContact SD-CD2 4.1Å; R160-L201 HydrophobicContact CB-CD1 3.97Å; F169-L201 WeakPolarHBondContact CZ-O 3.34Å; Y198-L201 VanDerWaalsContact O-CB 3.31Å; Y198-L201 WeakPolarHBondContact O-CB 3.48Å; Y198-L201 PolarHBondContact O-N 3.44Å; Y198-L201 VanDerWaalsContact O-N 3.14Å
202	F	98	Very high	97	Very high	16 Å²	16	44 Å²	44	7%	0.07	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.7	26.5	-174.8	-61.9	-85.9	0	0	0	112.5	F169 A185 T186 A189 L195 D200 S204 T205 L242	F169-F202 HydrophobicContact CE1-CE1 4.5Å; F169-F202 AromaticContact CE2-CD1 3.55Å; F169-F202 HydrophobicContact CE2-CD1 3.55Å; F169-F202 AromaticContact CE2-CE1 3.8Å; F169-F202 HydrophobicContact CE2-CE1 3.8Å; F169-F202 AromaticContact CZ-CD1 3.62Å; F169-F202 HydrophobicContact CZ-CD1 3.62Å; F169-F202 AromaticContact CZ-CE1 3.62Å; F169-F202 HydrophobicContact CZ-CE1 3.62Å; F169-F202 HydrophobicContact CZ-CG 4.45Å; F169-F202 HydrophobicContact CZ-CZ 4.47Å; A185-F202 HydrophobicContact CB-CE1 3.84Å; A185-F202 HydrophobicContact CB-CZ 4.28Å; T186-F202 VanDerWaalsContact OG1-CE1 3.29Å; T186-F202 WeakPolarHBondContact OG1-CE1 3.47Å; A189-F202 HydrophobicContact CB-CE2 3.65Å; A189-F202 HydrophobicContact CB-CZ 3.56Å; L195-F202 HydrophobicContact CD1-CD2 3.34Å; L195-F202 HydrophobicContact CD1-CE2 3.55Å; L195-F202 HydrophobicContact CD1-CG 4.28Å; D200-F202 PolarHBondContact O-N 3.46Å; D200-F202 VanDerWaalsContact O-N 3.15Å; F202-S204 PolarHBondContact O-N 3.27Å; F202-T205 HydrophobicContact CD1-CG2 4.36Å; F202-T205 WeakPolarHBondContact O-CB 3.46Å; F202-T205 PolarHBondContact O-N 3.19Å; F202-T205 VanDerWaalsContact O-N 3.08Å; F202-T205 PolarHBondContact O-OG1 3.02Å; F202-L242 HydrophobicContact CB-CD1 4.42Å; F202-L242 HydrophobicContact CB-CD2 3.83Å; F202-L242 HydrophobicContact CD1-CD2 4.28Å; F202-L242 HydrophobicContact CD2-CD2 4.23Å; F202-L242 HydrophobicContact CG-CD2 3.86Å
203	E	97.4	Very high	97.1	Very high	134 Å²	134	46 Å²	46	63%	0.626	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.9	130.7	176.7	-173.5	172.4	-166.4	0	0	110.6	H163 D200 T205	H163-E203 PolarHBondContact CE1-O 3.27Å; H163-E203 VanDerWaalsContact CE1-O 3.27Å; H163-E203 PolarHBondContact NE2-O 2.65Å; D200-E203 PolarHBondContact O-N 3.4Å; E203-T205 PolarHBondContact O-N 3.01Å
204	S	97.9	Very high	97.2	Very high	56 Å²	56	46 Å²	46	39%	0.392	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	-0.1	-176.6	-51.3	0	0	0	0	116.7	F202 A206 E207 W208	F202-S204 PolarHBondContact O-N 3.27Å; S204-A206 VanDerWaalsContact C-N 3.35Å; S204-A206 PolarHBondContact O-N 3.23Å; S204-E207 WeakPolarHBondContact CA-OE2 3.44Å; S204-E207 PolarHBondContact O-N 3.17Å; S204-W208 PolarHBondContact O-N 3.24Å; S204-W208 VanDerWaalsContact O-N 3.08Å
205	T	98.7	Very high	97.3	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-65.3	-38.1	-178.5	-59.7	0	0	0	0	112.1	G167 F169 A182 F202 E203 W208 V209 L242	G167-T205 VanDerWaalsContact O-CA 3.27Å; G167-T205 WeakPolarHBondContact O-CA 3.27Å; G167-T205 WeakPolarHBondContact O-CB 3.15Å; G167-T205 WeakPolarHBondContact O-CG2 3.25Å; G167-T205 PolarHBondContact O-OG1 3.46Å; F169-T205 HydrophobicContact CD2-CG2 4.28Å; F169-T205 HydrophobicContact CE2-CG2 4.04Å; F169-T205 WeakPolarHBondContact CE2-OG1 3.27Å; A182-T205 HydrophobicContact CB-CG2 3.98Å; F202-T205 HydrophobicContact CD1-CG2 4.36Å; F202-T205 WeakPolarHBondContact O-CB 3.46Å; F202-T205 PolarHBondContact O-N 3.19Å; F202-T205 VanDerWaalsContact O-N 3.08Å; F202-T205 PolarHBondContact O-OG1 3.02Å; E203-T205 PolarHBondContact O-N 3.01Å; T205-W208 PolarHBondContact O-N 3.45Å; T205-V209 HydrophobicContact CG2-CG2 4.26Å; T205-V209 WeakPolarHBondContact O-CB 3.38Å; T205-V209 VanDerWaalsContact O-CG2 3.26Å; T205-V209 WeakPolarHBondContact O-CG2 3.3Å; T205-V209 PolarHBondContact O-N 2.85Å; T205-L242 HydrophobicContact CG2-CD1 4.21Å
206	A	98.6	Very high	97.4	Very high	4 Å²	4	56 Å²	56	3%	0.033	28%	0.278	C	S	.	.	H	α-helix	trans	-63.6	-43.9	178.4	0	0	0	0	0	111.8	S204 V209 A210 L239 L242 R244 L247	S204-A206 VanDerWaalsContact C-N 3.35Å; S204-A206 PolarHBondContact O-N 3.23Å; A206-V209 PolarHBondContact O-N 3.05Å; A206-A210 VanDerWaalsContact O-CB 3.32Å; A206-A210 WeakPolarHBondContact O-CB 3.06Å; A206-A210 PolarHBondContact O-N 3.39Å; A206-L239 HydrophobicContact CB-CD2 3.96Å; A206-L239 WeakPolarHBondContact O-CD2 3.42Å; A206-L242 HydrophobicContact CB-CD1 4.2Å; A206-R244 HydrophobicContact CB-CB 3.72Å; A206-R244 HydrophobicContact CB-CG 3.7Å; A206-L247 HydrophobicContact CB-CD1 3.84Å
207	E	98.7	Very high	97.7	Very high	84 Å²	84	48 Å²	48	39%	0.393	24%	0.243	S	C	.	.	H	α-helix	trans	-63.4	-42.2	176.9	-70.7	68	-152.3	0	0	111.8	S204 A210 S211 R244	S204-E207 WeakPolarHBondContact CA-OE2 3.44Å; S204-E207 PolarHBondContact O-N 3.17Å; E207-A210 PolarHBondContact O-N 3.33Å; E207-S211 PolarHBondContact O-N 3.3Å; E207-R244 IonicContact OE1-CZ 2.66Å; E207-R244 VanDerWaalsContact OE1-CZ 3.24Å; E207-R244 IonicContact OE1-NH1 2.79Å; E207-R244 PolarHBondContact OE1-NH1 3Å; E207-R244 IonicContact OE1-NH2 3.59Å; E207-R244 PolarHBondContact OE1-NH2 3.48Å; E207-R244 IonicContact OE2-NH1 3.52Å
208	W	98.8	Very high	97.9	Very high	19 Å²	19	44.2 Å²	44.2	7%	0.072	23%	0.226	C	C	.	.	H	α-helix	trans	-62.8	-48.2	175.8	-175	86.6	0	0	0	111.9	D166 S168 V179 A182 S204 T205 A210 S211 C212	D166-W208 WeakPolarHBondContact O-CB 3.44Å; D166-W208 PolarHBondContact OD2-NE1 3.22Å; S168-W208 VanDerWaalsContact CB-CZ2 3.46Å; V179-W208 HydrophobicContact CB-CZ3 4.44Å; V179-W208 HydrophobicContact CG1-CH2 4.13Å; V179-W208 HydrophobicContact CG1-CZ3 3.76Å; A182-W208 HydrophobicContact CB-CZ3 4.34Å; S204-W208 PolarHBondContact O-N 3.24Å; S204-W208 VanDerWaalsContact O-N 3.08Å; T205-W208 PolarHBondContact O-N 3.45Å; W208-A210 VanDerWaalsContact C-N 3.33Å; W208-A210 PolarHBondContact O-N 2.83Å; W208-S211 WeakPolarHBondContact O-CB 3.37Å; W208-S211 PolarHBondContact O-N 3.14Å; W208-S211 VanDerWaalsContact O-N 3.11Å; W208-S211 PolarHBondContact O-OG 3.48Å; W208-C212 PolarHBondContact O-N 3.04Å
209	V	98.9	Very high	98	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-60.9	-42.1	177.2	172.3	0	0	0	0	111.2	A182 T205 A206 S211 C212 A235 T238 L239	A182-V209 HydrophobicContact CB-CG2 3.7Å; T205-V209 HydrophobicContact CG2-CG2 4.26Å; T205-V209 WeakPolarHBondContact O-CB 3.38Å; T205-V209 VanDerWaalsContact O-CG2 3.26Å; T205-V209 WeakPolarHBondContact O-CG2 3.3Å; T205-V209 PolarHBondContact O-N 2.85Å; A206-V209 PolarHBondContact O-N 3.05Å; V209-S211 VanDerWaalsContact C-N 3.26Å; V209-S211 PolarHBondContact O-N 3.12Å; V209-C212 VanDerWaalsContact O-CB 3.29Å; V209-C212 WeakPolarHBondContact O-CB 3.49Å; V209-C212 PolarHBondContact O-N 3.12Å; V209-A235 VanDerWaalsContact CG1-CA 3.49Å; V209-A235 HydrophobicContact CG1-CB 3.56Å; V209-T238 HydrophobicContact CG2-CG2 3.99Å; V209-L239 HydrophobicContact CB-CD2 4.26Å; V209-L239 HydrophobicContact CB-CG 4.4Å; V209-L239 HydrophobicContact CG1-CD1 4.03Å; V209-L239 HydrophobicContact CG1-CD2 4.18Å; V209-L239 HydrophobicContact CG1-CG 3.78Å
210	A	98.8	Very high	98.3	Very high	20 Å²	20	36.6 Å²	36.6	17%	0.165	18%	0.184	C	C	.	.	H	α-helix	trans	-60.3	-36.5	176	0	0	0	0	0	112.3	A206 E207 W208 C212 Q213 L247	A206-A210 VanDerWaalsContact O-CB 3.32Å; A206-A210 WeakPolarHBondContact O-CB 3.06Å; A206-A210 PolarHBondContact O-N 3.39Å; E207-A210 PolarHBondContact O-N 3.33Å; W208-A210 VanDerWaalsContact C-N 3.33Å; W208-A210 PolarHBondContact O-N 2.83Å; A210-C212 PolarHBondContact O-N 3.24Å; A210-Q213 WeakPolarHBondContact O-CB 3.39Å; A210-Q213 PolarHBondContact O-N 2.99Å; A210-Q213 VanDerWaalsContact O-N 3.1Å; A210-L247 HydrophobicContact CB-CB 3.73Å; A210-L247 HydrophobicContact CB-CD1 3.98Å; A210-L247 HydrophobicContact CB-CG 4.42Å
211	S	98.7	Very high	98.5	Very high	61 Å²	61	33 Å²	33	43%	0.427	17%	0.165	S	C	.	.	H	α-helix	trans	-67.5	-13	176.7	80.3	0	0	0	0	114.3	E207 W208 V209 Q213 P223	E207-S211 PolarHBondContact O-N 3.3Å; W208-S211 WeakPolarHBondContact O-CB 3.37Å; W208-S211 PolarHBondContact O-N 3.14Å; W208-S211 VanDerWaalsContact O-N 3.11Å; W208-S211 PolarHBondContact O-OG 3.48Å; V209-S211 VanDerWaalsContact C-N 3.26Å; V209-S211 PolarHBondContact O-N 3.12Å; S211-Q213 VanDerWaalsContact C-N 3.29Å; S211-P223 WeakPolarHBondContact OG-CG 3.4Å
212	C	98.8	Very high	98.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-7.4	172.4	-62.7	0	0	0	0	113.6	V179 W208 V209 A210 T214 F219 G220 P223	V179-C212 HydrophobicContact CG1-CB 3.89Å; V179-C212 VanDerWaalsContact CG1-SG 3.55Å; W208-C212 PolarHBondContact O-N 3.04Å; V209-C212 VanDerWaalsContact O-CB 3.29Å; V209-C212 WeakPolarHBondContact O-CB 3.49Å; V209-C212 PolarHBondContact O-N 3.12Å; A210-C212 PolarHBondContact O-N 3.24Å; C212-T214 PolarHBondContact O-N 3.29Å; C212-F219 HydrophobicContact CB-CD1 4.12Å; C212-F219 VanDerWaalsContact O-CA 3.31Å; C212-F219 WeakPolarHBondContact O-CA 3.15Å; C212-G220 PolarHBondContact O-N 2.89Å; C212-P223 VanDerWaalsContact SG-CD 3.54Å
213	Q	98.9	Very high	98.5	Very high	40 Å²	40	39.3 Å²	39.3	19%	0.187	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-69.3	127.6	175.2	-158.3	174.4	13.9	0	0	110.4	A210 S211 G217 G218 F219 N249	A210-Q213 WeakPolarHBondContact O-CB 3.39Å; A210-Q213 PolarHBondContact O-N 2.99Å; A210-Q213 VanDerWaalsContact O-N 3.1Å; S211-Q213 VanDerWaalsContact C-N 3.29Å; Q213-G217 PolarHBondContact NE2-O 2.71Å; Q213-G218 CarbonylContact C-O 3.42Å; Q213-G218 WeakPolarHBondContact CA-O 3.39Å; Q213-G218 WeakPolarHBondContact CG-O 3.43Å; Q213-F219 HydrophobicContact CB-CD1 3.8Å; Q213-F219 HydrophobicContact CB-CE1 3.56Å; Q213-F219 HydrophobicContact CB-CE2 4.41Å; Q213-F219 HydrophobicContact CB-CG 4.34Å; Q213-F219 HydrophobicContact CB-CZ 3.88Å; Q213-F219 HydrophobicContact CG-CD1 4.33Å; Q213-F219 HydrophobicContact CG-CD2 4.29Å; Q213-F219 HydrophobicContact CG-CE1 4.06Å; Q213-F219 HydrophobicContact CG-CE2 3.99Å; Q213-F219 HydrophobicContact CG-CG 4.44Å; Q213-F219 HydrophobicContact CG-CZ 3.87Å; Q213-N249 PolarHBondContact NE2-O 3.41Å; Q213-N249 VanDerWaalsContact NE2-O 3.1Å; Q213-N249 VanDerWaalsContact OE1-CB 3.24Å
214	T	98.7	Very high	98.5	Very high	18 Å²	18	36.6 Å²	36.6	11%	0.11	21%	0.208	C	C	.	.			trans	-95.9	173.7	-170	88.9	0	0	0	0	112	C212 E216 G217 G218 L225 A227	C212-T214 PolarHBondContact O-N 3.29Å; T214-E216 PolarHBondContact O-N 3.31Å; T214-E216 WeakPolarHBondContact OG1-CB 3.41Å; T214-E216 PolarHBondContact OG1-N 3.25Å; T214-E216 VanDerWaalsContact OG1-N 3.07Å; T214-G217 PolarHBondContact O-N 3.06Å; T214-G217 VanDerWaalsContact O-N 3.12Å; T214-G218 PolarHBondContact N-O 2.68Å; T214-L225 WeakPolarHBondContact CG2-O 3.43Å; T214-A227 HydrophobicContact CG2-CB 3.96Å
215	Y	98.3	Very high	98.6	Very high	198 Å²	198	38 Å²	38	78%	0.776	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-25.2	173.1	76.8	-86.7	0	0	0	113	G217	Y215-G217 VanDerWaalsContact C-N 3.29Å
216	E	98.6	Very high	98.6	Very high	40 Å²	40	42 Å²	42	19%	0.187	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-22.8	178.8	-57.6	178.1	79.7	0	0	112.2	T214 A227 W256 T272	T214-E216 PolarHBondContact O-N 3.31Å; T214-E216 WeakPolarHBondContact OG1-CB 3.41Å; T214-E216 PolarHBondContact OG1-N 3.25Å; T214-E216 VanDerWaalsContact OG1-N 3.07Å; E216-A227 HydrophobicContact CB-CB 4.22Å; E216-A227 WeakPolarHBondContact OE2-CB 3.49Å; E216-A227 PolarHBondContact OE2-N 3.14Å; E216-W256 WeakPolarHBondContact O-CB 3.4Å; E216-T272 PolarHBondContact OE1-OG1 2.84Å
217	G	98.6	Very high	98.6	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.228	C	C	.	.	S	Bend	trans	107.3	-23.5	-179.5	0	0	0	0	0	115.1	Q213 T214 Y215 L253	Q213-G217 PolarHBondContact NE2-O 2.71Å; T214-G217 PolarHBondContact O-N 3.06Å; T214-G217 VanDerWaalsContact O-N 3.12Å; Y215-G217 VanDerWaalsContact C-N 3.29Å; G217-L253 WeakPolarHBondContact O-CA 3.41Å
218	G	98.7	Very high	98.6	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.219	C	C	.	.	S	Bend	trans	-80	-169.2	169.1	0	0	0	0	0	112.8	Q213 T214 W256	Q213-G218 CarbonylContact C-O 3.42Å; Q213-G218 WeakPolarHBondContact CA-O 3.39Å; Q213-G218 WeakPolarHBondContact CG-O 3.43Å; T214-G218 PolarHBondContact N-O 2.68Å; G218-W256 VanDerWaalsContact CA-CD2 3.45Å; G218-W256 VanDerWaalsContact N-CG 3.27Å
219	F	98.9	Very high	98.6	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-117.6	142.9	177.9	-61	-109.8	0	0	0	112.2	C212 Q213 A227 H228 A232 A235 V236 L239 I248 L253	C212-F219 HydrophobicContact CB-CD1 4.12Å; C212-F219 VanDerWaalsContact O-CA 3.31Å; C212-F219 WeakPolarHBondContact O-CA 3.15Å; Q213-F219 HydrophobicContact CB-CD1 3.8Å; Q213-F219 HydrophobicContact CB-CE1 3.56Å; Q213-F219 HydrophobicContact CB-CE2 4.41Å; Q213-F219 HydrophobicContact CB-CG 4.34Å; Q213-F219 HydrophobicContact CB-CZ 3.88Å; Q213-F219 HydrophobicContact CG-CD1 4.33Å; Q213-F219 HydrophobicContact CG-CD2 4.29Å; Q213-F219 HydrophobicContact CG-CE1 4.06Å; Q213-F219 HydrophobicContact CG-CE2 3.99Å; Q213-F219 HydrophobicContact CG-CG 4.44Å; Q213-F219 HydrophobicContact CG-CZ 3.87Å; F219-A227 WeakPolarHBondContact O-CA 3.49Å; F219-H228 PolarHBondContact O-N 3.36Å; F219-A232 HydrophobicContact CD2-CB 4.48Å; F219-A235 HydrophobicContact CB-CB 3.77Å; F219-A235 HydrophobicContact CD1-CB 3.37Å; F219-A235 HydrophobicContact CD2-CB 3.97Å; F219-A235 HydrophobicContact CE1-CB 3.88Å; F219-A235 HydrophobicContact CE2-CB 4.43Å; F219-A235 HydrophobicContact CG-CB 3.43Å; F219-A235 VanDerWaalsContact CG-CB 3.43Å; F219-A235 HydrophobicContact CZ-CB 4.39Å; F219-V236 HydrophobicContact CD2-CG2 4.3Å; F219-V236 HydrophobicContact CE2-CG2 3.88Å; F219-L239 HydrophobicContact CE1-CD1 4.24Å; F219-L239 HydrophobicContact CZ-CD1 4.19Å; F219-I248 HydrophobicContact CE2-CG2 4.43Å; F219-I248 HydrophobicContact CZ-CG1 4.41Å; F219-I248 HydrophobicContact CZ-CG2 4.32Å; F219-L253 HydrophobicContact CD2-CD1 4.38Å; F219-L253 HydrophobicContact CE2-CD1 4.22Å
220	G	98.8	Very high	98.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.222	C	C	.	.			trans	-91.3	174.2	170	0	0	0	0	0	112.8	C212 Q222 E226	C212-G220 PolarHBondContact O-N 2.89Å; G220-Q222 VanDerWaalsContact C-N 3.27Å; G220-Q222 PolarHBondContact O-N 3.06Å; G220-E226 WeakPolarHBondContact CA-O 3.21Å
221	G	98.1	Very high	98.5	Very high	2 Å²	2	42 Å²	42	2%	0.021	23%	0.227	C	C	.	.	S	Bend	trans	-65	-33.5	176.7	0	0	0	0	0	113	D178 V179 Y231	D178-G221 CarbonylContact C-O 3.57Å; D178-G221 WeakPolarHBondContact CA-O 3.29Å; D178-G221 WeakPolarHBondContact CB-O 3.49Å; V179-G221 PolarHBondContact N-O 2.91Å; G221-Y231 VanDerWaalsContact N-CD2 3.25Å
222	Q	98.2	Very high	98.6	Very high	87 Å²	87	39.1 Å²	39.1	41%	0.407	21%	0.207	S	C	.	.	S	Bend	trans	-141.4	165.9	177.9	-65.8	175.2	-15.9	0	0	108.3	A177 D178 G220 G224 L225	A177-Q222 PolarHBondContact O-NE2 3Å; D178-Q222 HydrophobicContact CB-CG 4.32Å; G220-Q222 VanDerWaalsContact C-N 3.27Å; G220-Q222 PolarHBondContact O-N 3.06Å; Q222-G224 PolarHBondContact O-N 3.46Å; Q222-L225 HydrophobicContact CB-CD1 3.82Å; Q222-L225 HydrophobicContact CB-CG 4.13Å; Q222-L225 HydrophobicContact CG-CD1 4.28Å; Q222-L225 PolarHBondContact O-N 3.49Å
223	P	98.4	Very high	98.6	Very high	62 Å²	62	39.1 Å²	39.1	40%	0.403	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	131.9	175.6	-27.4	38.5	0	0	0	112.1	S211 C212 L225	S211-P223 WeakPolarHBondContact OG-CG 3.4Å; C212-P223 VanDerWaalsContact SG-CD 3.54Å; P223-L225 PolarHBondContact O-N 3.33Å
224	G	97.2	Very high	98.6	Very high	78 Å²	78	37.6 Å²	37.6	80%	0.804	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.6	-0.6	178.1	0	0	0	0	0	116.4	Q222	Q222-G224 PolarHBondContact O-N 3.46Å
225	L	98.3	Very high	98.6	Very high	86 Å²	86	36.7 Å²	36.7	45%	0.45	20%	0.195	S	C	.	.	S	Bend	trans	-84.3	166.9	173.7	-59.4	-171.9	0	0	0	112.4	T214 Q222 P223	T214-L225 WeakPolarHBondContact CG2-O 3.43Å; Q222-L225 HydrophobicContact CB-CD1 3.82Å; Q222-L225 HydrophobicContact CB-CG 4.13Å; Q222-L225 HydrophobicContact CG-CD1 4.28Å; Q222-L225 PolarHBondContact O-N 3.49Å; P223-L225 PolarHBondContact O-N 3.33Å
226	E	98.7	Very high	98.6	Very high	84 Å²	84	27.3 Å²	27.3	39%	0.393	16%	0.158	S	C	.	.	P	Polyproline II helix	trans	-62.1	143.8	178.7	-174.5	-175.9	-159.5	0	0	112.1	G220 R271	G220-E226 WeakPolarHBondContact CA-O 3.21Å; E226-R271 VanDerWaalsContact OE1-CD 3.31Å; E226-R271 WeakPolarHBondContact OE1-CD 3.28Å; E226-R271 WeakPolarHBondContact OE2-CD 3.49Å; E226-R271 IonicContact OE2-CZ 3.52Å; E226-R271 IonicContact OE2-NE 3.51Å; E226-R271 IonicContact OE2-NH1 2.76Å; E226-R271 PolarHBondContact OE2-NH1 2.9Å
227	A	98.8	Very high	98.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.149	C	C	.	.	P	Polyproline II helix	trans	-70.3	132.8	176.6	0	0	0	0	0	111.4	T214 E216 F219 W256 R271	T214-A227 HydrophobicContact CG2-CB 3.96Å; E216-A227 HydrophobicContact CB-CB 4.22Å; E216-A227 WeakPolarHBondContact OE2-CB 3.49Å; E216-A227 PolarHBondContact OE2-N 3.14Å; F219-A227 WeakPolarHBondContact O-CA 3.49Å; A227-W256 HydrophobicContact CB-CD2 4.39Å; A227-W256 VanDerWaalsContact CB-CE2 3.47Å; A227-W256 HydrophobicContact CB-CH2 4.44Å; A227-W256 HydrophobicContact CB-CZ2 3.52Å; A227-R271 VanDerWaalsContact O-CB 3.25Å; A227-R271 WeakPolarHBondContact O-CB 3.48Å
228	H	98.9	Very high	98.6	Very high	44 Å²	44	25.4 Å²	25.4	20%	0.204	15%	0.149	C	C	.	.			trans	-143.3	136.6	-175.7	-172	-88.6	0	0	0	111.7	F219 G230 Y231 A232 G270 Y280	F219-H228 PolarHBondContact O-N 3.36Å; H228-G230 VanDerWaalsContact C-N 3.34Å; H228-G230 PolarHBondContact ND1-N 2.73Å; H228-G230 PolarHBondContact O-N 3.38Å; H228-Y231 HydrophobicContact CB-CD2 3.72Å; H228-Y231 HydrophobicContact CB-CE2 4.4Å; H228-Y231 PolarHBondContact O-N 2.98Å; H228-A232 WeakPolarHBondContact O-CB 3.39Å; H228-A232 PolarHBondContact O-N 2.8Å; H228-G270 CarbonylContact C-O 3.55Å; H228-G270 WeakPolarHBondContact CA-O 3.49Å; H228-Y280 AromaticContact CE1-CE1 3.75Å; H228-Y280 AromaticContact CE1-CZ 3.88Å; H228-Y280 PolarHBondContact CE1-OH 3.22Å; H228-Y280 AromaticContact NE2-CZ 3.99Å; H228-Y280 PolarHBondContact NE2-OH 3.37Å; H228-Y280 VanDerWaalsContact NE2-OH 3.13Å
229	G	98.6	Very high	98.5	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-54.1	-45.4	-171.3	0	0	0	0	0	113.8	Y231 A232 F233 G270 Q284	G229-Y231 VanDerWaalsContact C-N 3.35Å; G229-Y231 PolarHBondContact O-N 3.4Å; G229-A232 PolarHBondContact O-N 3.19Å; G229-F233 WeakPolarHBondContact O-CB 3.43Å; G229-F233 PolarHBondContact O-N 2.98Å; G229-G270 PolarHBondContact N-O 3.25Å; G229-Q284 VanDerWaalsContact CA-CD 3.47Å; G229-Q284 VanDerWaalsContact CA-NE2 3.26Å
230	G	98.5	Very high	98.4	Very high	13 Å²	13	26.8 Å²	26.8	13%	0.134	16%	0.159	C	C	.	.	H	α-helix	trans	-60.5	-40.6	176.7	0	0	0	0	0	113.6	H228 C234	H228-G230 VanDerWaalsContact C-N 3.34Å; H228-G230 PolarHBondContact ND1-N 2.73Å; H228-G230 PolarHBondContact O-N 3.38Å; G230-C234 PolarHBondContact O-N 2.87Å; G230-C234 PolarHBondContact O-SG 2.97Å
231	Y	98.8	Very high	98.2	Very high	70 Å²	70	27.2 Å²	27.2	28%	0.275	16%	0.161	S	C	.	.	H	α-helix	trans	-77.1	-36.9	178.7	-62.7	-45.3	0	0	0	111.9	V179 R180 G221 H228 G229 C234 A235	V179-Y231 HydrophobicContact CG2-CD1 3.6Å; V179-Y231 HydrophobicContact CG2-CG 3.94Å; R180-Y231 HydrophobicContact CG-CD1 4.11Å; R180-Y231 HydrophobicContact CG-CE1 3.86Å; G221-Y231 VanDerWaalsContact N-CD2 3.25Å; H228-Y231 HydrophobicContact CB-CD2 3.72Å; H228-Y231 HydrophobicContact CB-CE2 4.4Å; H228-Y231 PolarHBondContact O-N 2.98Å; G229-Y231 VanDerWaalsContact C-N 3.35Å; G229-Y231 PolarHBondContact O-N 3.4Å; Y231-C234 PolarHBondContact O-N 2.65Å; Y231-A235 WeakPolarHBondContact O-CB 3.46Å; Y231-A235 PolarHBondContact O-N 2.75Å
232	A	98.9	Very high	98.2	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-57.9	-48.2	172.1	0	0	0	0	0	111.6	F219 H228 G229 A235 V236 W256 I287	F219-A232 HydrophobicContact CD2-CB 4.48Å; H228-A232 WeakPolarHBondContact O-CB 3.39Å; H228-A232 PolarHBondContact O-N 2.8Å; G229-A232 PolarHBondContact O-N 3.19Å; A232-A235 PolarHBondContact O-N 3.08Å; A232-V236 WeakPolarHBondContact O-CB 3.43Å; A232-V236 WeakPolarHBondContact O-CG2 3.42Å; A232-V236 PolarHBondContact O-N 3.47Å; A232-W256 HydrophobicContact CB-CH2 3.95Å; A232-W256 HydrophobicContact CB-CZ3 3.64Å; A232-I287 HydrophobicContact CB-CD1 3.89Å
233	F	98.9	Very high	98	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-57.2	-52.9	173.3	175.8	-94.3	0	0	0	111.8	Y183 G229 A235 V236 A237 F282 W283 A286 P427	Y183-F233 AromaticContact CE1-CE1 3.92Å; Y183-F233 HydrophobicContact CE1-CE1 3.92Å; Y183-F233 HydrophobicContact CE2-CE1 4Å; Y183-F233 AromaticContact CZ-CE1 3.58Å; G229-F233 WeakPolarHBondContact O-CB 3.43Å; G229-F233 PolarHBondContact O-N 2.98Å; F233-A235 VanDerWaalsContact C-N 3.28Å; F233-A235 PolarHBondContact O-N 3.37Å; F233-V236 PolarHBondContact O-N 2.93Å; F233-A237 HydrophobicContact CE1-CB 4.35Å; F233-A237 HydrophobicContact CZ-CB 4.27Å; F233-A237 VanDerWaalsContact O-CB 3.27Å; F233-A237 WeakPolarHBondContact O-CB 3.41Å; F233-A237 PolarHBondContact O-N 3.09Å; F233-F282 HydrophobicContact CD2-CE1 4.19Å; F233-F282 HydrophobicContact CD2-CZ 4.5Å; F233-F282 AromaticContact CE1-CE1 3.97Å; F233-F282 HydrophobicContact CE1-CE1 3.97Å; F233-F282 HydrophobicContact CE1-CZ 4.47Å; F233-F282 AromaticContact CE2-CE1 3.62Å; F233-F282 HydrophobicContact CE2-CE1 3.62Å; F233-F282 AromaticContact CE2-CZ 3.6Å; F233-F282 HydrophobicContact CE2-CZ 3.6Å; F233-F282 AromaticContact CZ-CE1 3.51Å; F233-F282 HydrophobicContact CZ-CE1 3.51Å; F233-F282 AromaticContact CZ-CZ 3.59Å; F233-F282 HydrophobicContact CZ-CZ 3.59Å; F233-W283 HydrophobicContact CB-CE3 3.94Å; F233-W283 WeakPolarHBondContact CB-O 3.38Å; F233-W283 AromaticContact CD1-CE3 3.49Å; F233-W283 HydrophobicContact CD1-CE3 3.49Å; F233-W283 VanDerWaalsContact CD1-CE3 3.49Å; F233-W283 AromaticContact CD1-CZ3 3.42Å; F233-W283 HydrophobicContact CD1-CZ3 3.42Å; F233-W283 VanDerWaalsContact CD1-CZ3 3.42Å; F233-W283 HydrophobicContact CE1-CE3 4.16Å; F233-W283 AromaticContact CE1-CZ3 3.78Å; F233-W283 HydrophobicContact CE1-CZ3 3.78Å; F233-W283 AromaticContact CG-CE3 3.74Å; F233-W283 HydrophobicContact CG-CE3 3.74Å; F233-W283 HydrophobicContact CG-CZ3 4.16Å; F233-A286 HydrophobicContact CD2-CB 4.11Å; F233-A286 HydrophobicContact CE2-CB 3.81Å; F233-P427 WeakPolarHBondContact CE2-O 3.32Å; F233-P427 WeakPolarHBondContact CZ-O 3.4Å
234	C	98.9	Very high	97.9	Very high	7 Å²	7	31.6 Å²	31.6	5%	0.047	17%	0.173	C	C	.	.	H	α-helix	trans	-55.3	-45.8	-179.2	-70.6	0	0	0	0	111.3	V179 Y183 G230 Y231 T238	V179-C234 HydrophobicContact CB-CB 4.4Å; V179-C234 HydrophobicContact CG2-CB 4.07Å; Y183-C234 HydrophobicContact CD1-CB 4.42Å; Y183-C234 HydrophobicContact CG-CB 4.09Å; G230-C234 PolarHBondContact O-N 2.87Å; G230-C234 PolarHBondContact O-SG 2.97Å; Y231-C234 PolarHBondContact O-N 2.65Å; C234-T238 VanDerWaalsContact O-CB 3.25Å; C234-T238 WeakPolarHBondContact O-CB 3.4Å; C234-T238 PolarHBondContact O-N 3.07Å; C234-T238 PolarHBondContact O-OG1 3.18Å
235	A	98.9	Very high	97.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-66.2	-49.2	-179.6	0	0	0	0	0	112.5	V209 F219 Y231 A232 F233 T238 L239	V209-A235 VanDerWaalsContact CG1-CA 3.49Å; V209-A235 HydrophobicContact CG1-CB 3.56Å; F219-A235 HydrophobicContact CB-CB 3.77Å; F219-A235 HydrophobicContact CD1-CB 3.37Å; F219-A235 HydrophobicContact CD2-CB 3.97Å; F219-A235 HydrophobicContact CE1-CB 3.88Å; F219-A235 HydrophobicContact CE2-CB 4.43Å; F219-A235 HydrophobicContact CG-CB 3.43Å; F219-A235 VanDerWaalsContact CG-CB 3.43Å; F219-A235 HydrophobicContact CZ-CB 4.39Å; Y231-A235 WeakPolarHBondContact O-CB 3.46Å; Y231-A235 PolarHBondContact O-N 2.75Å; A232-A235 PolarHBondContact O-N 3.08Å; F233-A235 VanDerWaalsContact C-N 3.28Å; F233-A235 PolarHBondContact O-N 3.37Å; A235-T238 PolarHBondContact O-N 3.38Å; A235-L239 WeakPolarHBondContact O-CG 3.46Å; A235-L239 PolarHBondContact O-N 3.47Å
236	V	98.7	Very high	97.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-62	-48.8	-179.8	171.4	0	0	0	0	110.8	F219 A232 F233 T238 L239 C240 I248 L253 I290	F219-V236 HydrophobicContact CD2-CG2 4.3Å; F219-V236 HydrophobicContact CE2-CG2 3.88Å; A232-V236 WeakPolarHBondContact O-CB 3.43Å; A232-V236 WeakPolarHBondContact O-CG2 3.42Å; A232-V236 PolarHBondContact O-N 3.47Å; F233-V236 PolarHBondContact O-N 2.93Å; V236-T238 VanDerWaalsContact C-N 3.35Å; V236-T238 PolarHBondContact O-N 3.03Å; V236-L239 PolarHBondContact O-N 2.89Å; V236-C240 PolarHBondContact O-N 2.93Å; V236-C240 PolarHBondContact O-SG 3.35Å; V236-I248 HydrophobicContact CG1-CD1 4.29Å; V236-I248 HydrophobicContact CG2-CD1 4.45Å; V236-L253 HydrophobicContact CG2-CD1 4.19Å; V236-L253 HydrophobicContact CG2-CD2 3.47Å; V236-L253 VanDerWaalsContact CG2-CD2 3.47Å; V236-L253 HydrophobicContact CG2-CG 4.48Å; V236-I290 HydrophobicContact CG1-CB 4.37Å; V236-I290 HydrophobicContact CG1-CD1 4.21Å; V236-I290 HydrophobicContact CG1-CG2 3.75Å
237	A	98.1	Very high	97.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-61.5	-42.8	177.3	0	0	0	0	0	111.3	Y183 F233 L239 C240 L241	Y183-A237 HydrophobicContact CD2-CB 3.8Å; Y183-A237 HydrophobicContact CE2-CB 3.65Å; F233-A237 HydrophobicContact CE1-CB 4.35Å; F233-A237 HydrophobicContact CZ-CB 4.27Å; F233-A237 VanDerWaalsContact O-CB 3.27Å; F233-A237 WeakPolarHBondContact O-CB 3.41Å; F233-A237 PolarHBondContact O-N 3.09Å; A237-L239 PolarHBondContact O-N 3.15Å; A237-C240 PolarHBondContact O-N 3.34Å; A237-L241 WeakPolarHBondContact O-CB 3.32Å; A237-L241 WeakPolarHBondContact O-CG 3.34Å; A237-L241 PolarHBondContact O-N 2.92Å
238	T	98.5	Very high	97.8	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-58.7	-50	176.3	-59.2	0	0	0	0	111.8	A182 Y183 T186 V209 C234 A235 V236 C240 L241 L242	A182-T238 HydrophobicContact CB-CG2 4.25Å; Y183-T238 WeakPolarHBondContact CA-OG1 3.46Å; Y183-T238 WeakPolarHBondContact CB-OG1 3.2Å; Y183-T238 PolarHBondContact N-OG1 2.94Å; T186-T238 HydrophobicContact CG2-CG2 4.4Å; V209-T238 HydrophobicContact CG2-CG2 3.99Å; C234-T238 VanDerWaalsContact O-CB 3.25Å; C234-T238 WeakPolarHBondContact O-CB 3.4Å; C234-T238 PolarHBondContact O-N 3.07Å; C234-T238 PolarHBondContact O-OG1 3.18Å; A235-T238 PolarHBondContact O-N 3.38Å; V236-T238 VanDerWaalsContact C-N 3.35Å; V236-T238 PolarHBondContact O-N 3.03Å; T238-C240 VanDerWaalsContact C-N 3.3Å; T238-C240 PolarHBondContact O-N 3.19Å; T238-L241 PolarHBondContact O-N 3.12Å; T238-L242 HydrophobicContact CG2-CD1 3.83Å; T238-L242 HydrophobicContact CG2-CG 4.32Å; T238-L242 WeakPolarHBondContact O-CB 3.46Å; T238-L242 WeakPolarHBondContact O-CG 3.4Å; T238-L242 PolarHBondContact O-N 3.43Å
239	L	98.3	Very high	97.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-62.8	-37.7	-179.6	-70.3	172	0	0	0	111.9	A206 V209 F219 A235 V236 A237 E243 R244 S245 L247 I248	A206-L239 HydrophobicContact CB-CD2 3.96Å; A206-L239 WeakPolarHBondContact O-CD2 3.42Å; V209-L239 HydrophobicContact CB-CD2 4.26Å; V209-L239 HydrophobicContact CB-CG 4.4Å; V209-L239 HydrophobicContact CG1-CD1 4.03Å; V209-L239 HydrophobicContact CG1-CD2 4.18Å; V209-L239 HydrophobicContact CG1-CG 3.78Å; F219-L239 HydrophobicContact CE1-CD1 4.24Å; F219-L239 HydrophobicContact CZ-CD1 4.19Å; A235-L239 WeakPolarHBondContact O-CG 3.46Å; A235-L239 PolarHBondContact O-N 3.47Å; V236-L239 PolarHBondContact O-N 2.89Å; A237-L239 PolarHBondContact O-N 3.15Å; L239-E243 PolarHBondContact O-N 3.38Å; L239-R244 HydrophobicContact CD2-CB 4.37Å; L239-R244 CarbonylContact O-C 3.47Å; L239-R244 WeakPolarHBondContact O-CA 3.37Å; L239-R244 PolarHBondContact O-N 3.03Å; L239-S245 PolarHBondContact O-N 3.12Å; L239-L247 HydrophobicContact CD2-CB 4.36Å; L239-L247 HydrophobicContact CD2-CD1 4.11Å; L239-I248 HydrophobicContact CB-CD1 4.14Å; L239-I248 HydrophobicContact CB-CG1 4.24Å; L239-I248 HydrophobicContact CD1-CD1 4.13Å; L239-I248 HydrophobicContact CD1-CG1 3.45Å; L239-I248 VanDerWaalsContact CD1-CG1 3.45Å; L239-I248 HydrophobicContact CG-CG1 4.48Å
240	C	96.1	Very high	97.7	Very high	29 Å²	29	33.1 Å²	33.1	20%	0.196	17%	0.166	C	C	.	.	H	α-helix	trans	-69.1	-43.8	175.4	-62.5	0	0	0	0	112.1	V236 A237 T238 L242 E243 I290	V236-C240 PolarHBondContact O-N 2.93Å; V236-C240 PolarHBondContact O-SG 3.35Å; A237-C240 PolarHBondContact O-N 3.34Å; T238-C240 VanDerWaalsContact C-N 3.3Å; T238-C240 PolarHBondContact O-N 3.19Å; C240-L242 VanDerWaalsContact C-N 3.3Å; C240-L242 PolarHBondContact O-N 3.39Å; C240-E243 PolarHBondContact O-N 2.71Å; C240-I290 WeakPolarHBondContact SG-CG2 3.48Å
241	L	95.2	Very high	97.6	Very high	10 Å²	10	37.2 Å²	37.2	5%	0.052	19%	0.19	C	C	.	.	H	α-helix	trans	-65.8	-32.4	179.9	-70.3	170	0	0	0	113.1	Y183 T186 A187 K190 L195 A237 T238 E243 H429	Y183-L241 HydrophobicContact CE2-CD1 4.38Å; T186-L241 HydrophobicContact CG2-CB 3.56Å; T186-L241 HydrophobicContact CG2-CD1 4.13Å; A187-L241 HydrophobicContact CB-CD1 4.17Å; K190-L241 HydrophobicContact CB-CD2 4.34Å; K190-L241 HydrophobicContact CG-CD2 4.01Å; L195-L241 WeakPolarHBondContact CD2-O 3.46Å; A237-L241 WeakPolarHBondContact O-CB 3.32Å; A237-L241 WeakPolarHBondContact O-CG 3.34Å; A237-L241 PolarHBondContact O-N 2.92Å; T238-L241 PolarHBondContact O-N 3.12Å; L241-E243 VanDerWaalsContact C-N 3.26Å; L241-H429 WeakPolarHBondContact CD2-CE1 3.36Å
242	L	96.4	Very high	97.6	Very high	28 Å²	28	40.4 Å²	40.4	15%	0.147	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-0.4	172.7	-66	179.8	0	0	0	113.5	T186 L195 F202 T205 A206 T238 C240 R244	T186-L242 HydrophobicContact CG2-CD2 3.74Å; T186-L242 HydrophobicContact CG2-CG 3.82Å; L195-L242 HydrophobicContact CD1-CD2 3.78Å; L195-L242 HydrophobicContact CD2-CD2 4.43Å; F202-L242 HydrophobicContact CB-CD1 4.42Å; F202-L242 HydrophobicContact CB-CD2 3.83Å; F202-L242 HydrophobicContact CD1-CD2 4.28Å; F202-L242 HydrophobicContact CD2-CD2 4.23Å; F202-L242 HydrophobicContact CG-CD2 3.86Å; T205-L242 HydrophobicContact CG2-CD1 4.21Å; A206-L242 HydrophobicContact CB-CD1 4.2Å; T238-L242 HydrophobicContact CG2-CD1 3.83Å; T238-L242 HydrophobicContact CG2-CG 4.32Å; T238-L242 WeakPolarHBondContact O-CB 3.46Å; T238-L242 WeakPolarHBondContact O-CG 3.4Å; T238-L242 PolarHBondContact O-N 3.43Å; C240-L242 VanDerWaalsContact C-N 3.3Å; C240-L242 PolarHBondContact O-N 3.39Å; L242-R244 VanDerWaalsContact C-N 3.26Å; L242-R244 HydrophobicContact CB-CG 4.32Å; L242-R244 WeakPolarHBondContact O-CG 3.26Å; L242-R244 PolarHBondContact O-N 2.71Å
243	E	94.8	Very high	97.6	Very high	141 Å²	141	40.4 Å²	40.4	66%	0.659	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.7	36.8	-177.4	-56.8	173.6	-159.5	0	0	112.4	K190 L239 C240 L241	K190-E243 IonicContact NZ-OE1 3.59Å; L239-E243 PolarHBondContact O-N 3.38Å; C240-E243 PolarHBondContact O-N 2.71Å; L241-E243 VanDerWaalsContact C-N 3.26Å
244	R	96.8	Very high	97.5	Very high	74 Å²	74	42.3 Å²	42.3	28%	0.279	21%	0.212	S	C	.	.			trans	-124.2	32.7	-178.8	-62	-60	-57.8	-70.5	-3.8	112.8	A206 E207 L239 L242 E246 L247	A206-R244 HydrophobicContact CB-CB 3.72Å; A206-R244 HydrophobicContact CB-CG 3.7Å; E207-R244 IonicContact OE1-CZ 2.66Å; E207-R244 VanDerWaalsContact OE1-CZ 3.24Å; E207-R244 IonicContact OE1-NH1 2.79Å; E207-R244 PolarHBondContact OE1-NH1 3Å; E207-R244 IonicContact OE1-NH2 3.59Å; E207-R244 PolarHBondContact OE1-NH2 3.48Å; E207-R244 IonicContact OE2-NH1 3.52Å; L239-R244 HydrophobicContact CD2-CB 4.37Å; L239-R244 CarbonylContact O-C 3.47Å; L239-R244 WeakPolarHBondContact O-CA 3.37Å; L239-R244 PolarHBondContact O-N 3.03Å; L242-R244 VanDerWaalsContact C-N 3.26Å; L242-R244 HydrophobicContact CB-CG 4.32Å; L242-R244 WeakPolarHBondContact O-CG 3.26Å; L242-R244 PolarHBondContact O-N 2.71Å; R244-E246 WeakPolarHBondContact CA-OE2 3.32Å; R244-E246 IonicContact CZ-OE1 3.57Å; R244-E246 IonicContact NE-OE1 2.93Å; R244-E246 PolarHBondContact NE-OE1 3.12Å; R244-E246 IonicContact NH2-OE1 3.73Å; R244-E246 PolarHBondContact NH2-OE1 2.9Å; R244-E246 PolarHBondContact O-N 3.36Å; R244-L247 HydrophobicContact CB-CD1 4.22Å; R244-L247 WeakPolarHBondContact O-CB 3.21Å; R244-L247 PolarHBondContact O-N 3.2Å
245	S	96.6	Very high	97.5	Very high	39 Å²	39	45.3 Å²	45.3	27%	0.273	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-64.5	-19.9	-177.9	55.1	0	0	0	0	113.7	L239 L247 I248 L294	L239-S245 PolarHBondContact O-N 3.12Å; S245-L247 PolarHBondContact O-N 2.94Å; S245-I248 WeakPolarHBondContact O-CB 3.34Å; S245-I248 WeakPolarHBondContact O-CG1 3.28Å; S245-I248 PolarHBondContact O-N 2.88Å; S245-I248 VanDerWaalsContact O-N 3.08Å; S245-L294 WeakPolarHBondContact OG-CD2 3.13Å
246	E	96.5	Very high	97.5	Very high	118 Å²	118	45.6 Å²	45.6	55%	0.551	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-63.9	-15.8	175.3	78.6	-68.5	167.1	0	0	113.6	R244 I248	R244-E246 WeakPolarHBondContact CA-OE2 3.32Å; R244-E246 IonicContact CZ-OE1 3.57Å; R244-E246 IonicContact NE-OE1 2.93Å; R244-E246 PolarHBondContact NE-OE1 3.12Å; R244-E246 IonicContact NH2-OE1 3.73Å; R244-E246 PolarHBondContact NH2-OE1 2.9Å; R244-E246 PolarHBondContact O-N 3.36Å; E246-I248 VanDerWaalsContact C-N 3.27Å
247	L	98.2	Very high	97.5	Very high	54 Å²	54	45.6 Å²	45.6	28%	0.283	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-77.8	-11.7	174.3	-63.2	-178.2	0	0	0	113.4	A206 A210 L239 R244 S245	A206-L247 HydrophobicContact CB-CD1 3.84Å; A210-L247 HydrophobicContact CB-CB 3.73Å; A210-L247 HydrophobicContact CB-CD1 3.98Å; A210-L247 HydrophobicContact CB-CG 4.42Å; L239-L247 HydrophobicContact CD2-CB 4.36Å; L239-L247 HydrophobicContact CD2-CD1 4.11Å; R244-L247 HydrophobicContact CB-CD1 4.22Å; R244-L247 WeakPolarHBondContact O-CB 3.21Å; R244-L247 PolarHBondContact O-N 3.2Å; S245-L247 PolarHBondContact O-N 2.94Å
248	I	98.4	Very high	97.5	Very high	13 Å²	13	47.8 Å²	47.8	7%	0.067	25%	0.249	C	C	.	.	S	Bend	trans	-80.2	127	178.8	-56	172	0	0	0	108.9	F219 V236 L239 S245 E246 L250 L253 L294	F219-I248 HydrophobicContact CE2-CG2 4.43Å; F219-I248 HydrophobicContact CZ-CG1 4.41Å; F219-I248 HydrophobicContact CZ-CG2 4.32Å; V236-I248 HydrophobicContact CG1-CD1 4.29Å; V236-I248 HydrophobicContact CG2-CD1 4.45Å; L239-I248 HydrophobicContact CB-CD1 4.14Å; L239-I248 HydrophobicContact CB-CG1 4.24Å; L239-I248 HydrophobicContact CD1-CD1 4.13Å; L239-I248 HydrophobicContact CD1-CG1 3.45Å; L239-I248 VanDerWaalsContact CD1-CG1 3.45Å; L239-I248 HydrophobicContact CG-CG1 4.48Å; S245-I248 WeakPolarHBondContact O-CB 3.34Å; S245-I248 WeakPolarHBondContact O-CG1 3.28Å; S245-I248 PolarHBondContact O-N 2.88Å; S245-I248 VanDerWaalsContact O-N 3.08Å; E246-I248 VanDerWaalsContact C-N 3.27Å; I248-L250 HydrophobicContact CG2-CD1 4.39Å; I248-L250 PolarHBondContact O-N 3.47Å; I248-L253 HydrophobicContact CG2-CB 4.19Å; I248-L253 HydrophobicContact CG2-CD2 3.64Å; I248-L294 HydrophobicContact CD1-CD1 4.33Å
249	N	98.3	Very high	97.5	Very high	69 Å²	69	53.8 Å²	53.8	37%	0.369	28%	0.276	S	S	.	.			trans	-72.3	83.6	161.8	-170.2	-37.9	0	0	0	109.2	Q213 R252 L253	Q213-N249 PolarHBondContact NE2-O 3.41Å; Q213-N249 VanDerWaalsContact NE2-O 3.1Å; Q213-N249 VanDerWaalsContact OE1-CB 3.24Å; N249-R252 HydrophobicContact CB-CB 4.37Å; N249-R252 PolarHBondContact O-N 2.65Å; N249-R252 WeakPolarHBondContact OD1-CB 3.39Å; N249-R252 WeakPolarHBondContact OD1-CG 3.32Å; N249-R252 PolarHBondContact OD1-N 3.13Å; N249-L253 PolarHBondContact O-N 3.25Å
250	L	97.2	Very high	97.5	Very high	30 Å²	30	54.4 Å²	54.4	16%	0.157	28%	0.279	C	S	.	.	H	α-helix	trans	-60.4	-43.8	-170.3	-167.1	65.4	0	0	0	113.2	I248 R252 L253 L254 V291 L294 L295	I248-L250 HydrophobicContact CG2-CD1 4.39Å; I248-L250 PolarHBondContact O-N 3.47Å; L250-R252 VanDerWaalsContact C-N 3.33Å; L250-R252 PolarHBondContact O-N 2.92Å; L250-L253 HydrophobicContact CD1-CD2 4.39Å; L250-L253 PolarHBondContact O-N 3.03Å; L250-L254 WeakPolarHBondContact O-CB 3.13Å; L250-L254 PolarHBondContact O-N 3.46Å; L250-V291 HydrophobicContact CD1-CB 4.29Å; L250-V291 HydrophobicContact CD1-CG1 3.94Å; L250-V291 HydrophobicContact CD1-CG2 3.82Å; L250-V291 HydrophobicContact CG-CG1 4.33Å; L250-L294 HydrophobicContact CD1-CD1 4.04Å; L250-L294 HydrophobicContact CD2-CB 4.05Å; L250-L295 HydrophobicContact CD2-CD2 3.69Å; L250-L295 HydrophobicContact CD2-CG 4.06Å
251	P	97.3	Very high	97.6	Very high	99 Å²	99	54.8 Å²	54.8	64%	0.643	28%	0.277	S	S	*	.	H	α-helix	trans	-61.6	-38.8	177.2	-25.3	35.9	0	0	0	113.3	C255	P251-C255 WeakPolarHBondContact O-CB 3.39Å; P251-C255 PolarHBondContact O-N 3.4Å
252	R	98.4	Very high	97.7	Very high	138 Å²	138	55.3 Å²	55.3	52%	0.521	28%	0.28	S	S	.	.	H	α-helix	trans	-71.2	-39.9	176.8	-72.7	-168.6	176.5	-166.8	-0.1	112	N249 L250 C255 W256	N249-R252 HydrophobicContact CB-CB 4.37Å; N249-R252 PolarHBondContact O-N 2.65Å; N249-R252 WeakPolarHBondContact OD1-CB 3.39Å; N249-R252 WeakPolarHBondContact OD1-CG 3.32Å; N249-R252 PolarHBondContact OD1-N 3.13Å; L250-R252 VanDerWaalsContact C-N 3.33Å; L250-R252 PolarHBondContact O-N 2.92Å; R252-C255 PolarHBondContact O-N 2.93Å; R252-W256 WeakPolarHBondContact O-CB 3.24Å; R252-W256 PolarHBondContact O-N 2.97Å
253	L	98.7	Very high	97.4	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-60	-51	174.2	175	65.2	0	0	0	111	G217 F219 V236 I248 N249 L250 C255 W256 V257 I287 V291	G217-L253 WeakPolarHBondContact O-CA 3.41Å; F219-L253 HydrophobicContact CD2-CD1 4.38Å; F219-L253 HydrophobicContact CE2-CD1 4.22Å; V236-L253 HydrophobicContact CG2-CD1 4.19Å; V236-L253 HydrophobicContact CG2-CD2 3.47Å; V236-L253 VanDerWaalsContact CG2-CD2 3.47Å; V236-L253 HydrophobicContact CG2-CG 4.48Å; I248-L253 HydrophobicContact CG2-CB 4.19Å; I248-L253 HydrophobicContact CG2-CD2 3.64Å; N249-L253 PolarHBondContact O-N 3.25Å; L250-L253 HydrophobicContact CD1-CD2 4.39Å; L250-L253 PolarHBondContact O-N 3.03Å; L253-C255 VanDerWaalsContact C-N 3.34Å; L253-C255 PolarHBondContact O-N 3.3Å; L253-W256 HydrophobicContact CD1-CE3 4.47Å; L253-W256 PolarHBondContact O-N 2.94Å; L253-W256 VanDerWaalsContact O-N 3.14Å; L253-V257 WeakPolarHBondContact O-CG1 3.47Å; L253-V257 PolarHBondContact O-N 3.27Å; L253-I287 HydrophobicContact CD1-CG2 4.49Å; L253-I287 HydrophobicContact CD2-CG2 4.22Å; L253-I287 HydrophobicContact CG-CG2 4.41Å; L253-V291 HydrophobicContact CD2-CG2 4.15Å
254	L	98	Very high	97.2	Very high	39 Å²	39	51 Å²	51	20%	0.204	27%	0.272	C	S	.	.	H	α-helix	trans	-58.8	-45.7	179.7	176.8	56.3	0	0	0	111.2	L250 W256 S258 F288 V291 L295 L309	L250-L254 WeakPolarHBondContact O-CB 3.13Å; L250-L254 PolarHBondContact O-N 3.46Å; L254-W256 PolarHBondContact O-N 3.29Å; L254-S258 VanDerWaalsContact O-CB 3.3Å; L254-S258 WeakPolarHBondContact O-CB 3.49Å; L254-S258 PolarHBondContact O-N 3.11Å; L254-S258 PolarHBondContact O-OG 2.93Å; L254-F288 HydrophobicContact CD1-CD1 4.41Å; L254-F288 HydrophobicContact CD1-CE1 4.36Å; L254-V291 HydrophobicContact CB-CG1 4.38Å; L254-V291 HydrophobicContact CD1-CG1 4.19Å; L254-V291 HydrophobicContact CD2-CG1 4.42Å; L254-L295 HydrophobicContact CD2-CD1 4.44Å; L254-L309 HydrophobicContact CD1-CB 4.16Å; L254-L309 HydrophobicContact CD1-CD1 3.87Å; L254-L309 HydrophobicContact CD2-CD1 4.24Å
255	C	98.4	Very high	97.1	Very high	70 Å²	70	47.5 Å²	47.5	47%	0.473	26%	0.258	S	S	.	.	H	α-helix	trans	-57.3	-51.3	174.1	-177.1	0	0	0	0	110.8	P251 R252 L253 H259	P251-C255 WeakPolarHBondContact O-CB 3.39Å; P251-C255 PolarHBondContact O-N 3.4Å; R252-C255 PolarHBondContact O-N 2.93Å; L253-C255 VanDerWaalsContact C-N 3.34Å; L253-C255 PolarHBondContact O-N 3.3Å; C255-H259 PolarHBondContact O-N 3.48Å; C255-H259 PolarHBondContact O-ND1 2.93Å
256	W	98.7	Very high	97.1	Very high	7 Å²	7	45.7 Å²	45.7	3%	0.027	25%	0.246	C	C	.	.	H	α-helix	trans	-60	-51.4	-178.4	-180	84.5	0	0	0	112.7	E216 G218 A227 A232 R252 L253 L254 S258 H259 R260	E216-W256 WeakPolarHBondContact O-CB 3.4Å; G218-W256 VanDerWaalsContact CA-CD2 3.45Å; G218-W256 VanDerWaalsContact N-CG 3.27Å; A227-W256 HydrophobicContact CB-CD2 4.39Å; A227-W256 VanDerWaalsContact CB-CE2 3.47Å; A227-W256 HydrophobicContact CB-CH2 4.44Å; A227-W256 HydrophobicContact CB-CZ2 3.52Å; A232-W256 HydrophobicContact CB-CH2 3.95Å; A232-W256 HydrophobicContact CB-CZ3 3.64Å; R252-W256 WeakPolarHBondContact O-CB 3.24Å; R252-W256 PolarHBondContact O-N 2.97Å; L253-W256 HydrophobicContact CD1-CE3 4.47Å; L253-W256 PolarHBondContact O-N 2.94Å; L253-W256 VanDerWaalsContact O-N 3.14Å; L254-W256 PolarHBondContact O-N 3.29Å; W256-S258 PolarHBondContact O-N 3.5Å; W256-H259 PolarHBondContact O-N 2.81Å; W256-R260 HydrophobicContact CD2-CG 4.49Å; W256-R260 VanDerWaalsContact CE2-NH1 3.31Å; W256-R260 HydrophobicContact CE3-CG 4.41Å; W256-R260 HydrophobicContact CH2-CG 4.27Å; W256-R260 HydrophobicContact CZ2-CG 4.34Å; W256-R260 HydrophobicContact CZ3-CG 4.3Å; W256-R260 WeakPolarHBondContact O-CG 3.35Å; W256-R260 PolarHBondContact O-NH1 2.88Å
257	V	98.6	Very high	97.1	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-67.5	-35.1	-175.4	70.2	0	0	0	0	112	L253 H259 R260 Q284 I287 F288	L253-V257 WeakPolarHBondContact O-CG1 3.47Å; L253-V257 PolarHBondContact O-N 3.27Å; V257-H259 VanDerWaalsContact C-N 3.27Å; V257-H259 PolarHBondContact O-N 3.38Å; V257-R260 VanDerWaalsContact O-CB 3.25Å; V257-R260 WeakPolarHBondContact O-CB 3.43Å; V257-R260 PolarHBondContact O-N 3.47Å; V257-Q284 HydrophobicContact CG2-CB 4.28Å; V257-I287 HydrophobicContact CG1-CG2 4.34Å; V257-I287 HydrophobicContact CG2-CB 4.21Å; V257-I287 HydrophobicContact CG2-CD1 4.18Å; V257-I287 HydrophobicContact CG2-CG2 4.31Å; V257-F288 HydrophobicContact CB-CZ 4.28Å; V257-F288 HydrophobicContact CG1-CD1 4.34Å; V257-F288 HydrophobicContact CG1-CE1 3.75Å; V257-F288 HydrophobicContact CG1-CE2 4.44Å; V257-F288 HydrophobicContact CG1-CZ 3.82Å; V257-F288 HydrophobicContact CG2-CD2 4.5Å; V257-F288 HydrophobicContact CG2-CE2 3.78Å; V257-F288 HydrophobicContact CG2-CZ 3.81Å
258	S	98	Very high	97.1	Very high	46 Å²	46	37.5 Å²	37.5	32%	0.322	21%	0.206	S	C	.	.	H	α-helix	trans	-60.9	-35.9	175.1	-56.6	0	0	0	0	112.2	L254 W256 R260 Q261	L254-S258 VanDerWaalsContact O-CB 3.3Å; L254-S258 WeakPolarHBondContact O-CB 3.49Å; L254-S258 PolarHBondContact O-N 3.11Å; L254-S258 PolarHBondContact O-OG 2.93Å; W256-S258 PolarHBondContact O-N 3.5Å; S258-R260 PolarHBondContact O-N 3.12Å; S258-Q261 PolarHBondContact O-N 3.42Å
259	H	98.1	Very high	97.1	Very high	125 Å²	125	37.6 Å²	37.6	58%	0.579	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.6	5.2	176.4	-69.4	84.8	0	0	0	113.9	C255 W256 V257 Q269	C255-H259 PolarHBondContact O-N 3.48Å; C255-H259 PolarHBondContact O-ND1 2.93Å; W256-H259 PolarHBondContact O-N 2.81Å; V257-H259 VanDerWaalsContact C-N 3.27Å; V257-H259 PolarHBondContact O-N 3.38Å; H259-Q269 PolarHBondContact O-NE2 3.33Å
260	R	98.6	Very high	97.1	Very high	13 Å²	13	34.4 Å²	34.4	5%	0.049	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-17.7	173	-57.4	-68.7	81.1	81.1	2.2	112.3	W256 V257 S258 M262 F268 Q269 T272 Q284	W256-R260 HydrophobicContact CD2-CG 4.49Å; W256-R260 VanDerWaalsContact CE2-NH1 3.31Å; W256-R260 HydrophobicContact CE3-CG 4.41Å; W256-R260 HydrophobicContact CH2-CG 4.27Å; W256-R260 HydrophobicContact CZ2-CG 4.34Å; W256-R260 HydrophobicContact CZ3-CG 4.3Å; W256-R260 WeakPolarHBondContact O-CG 3.35Å; W256-R260 PolarHBondContact O-NH1 2.88Å; V257-R260 VanDerWaalsContact O-CB 3.25Å; V257-R260 WeakPolarHBondContact O-CB 3.43Å; V257-R260 PolarHBondContact O-N 3.47Å; S258-R260 PolarHBondContact O-N 3.12Å; R260-M262 PolarHBondContact O-N 3.25Å; R260-F268 VanDerWaalsContact C-CD1 3.44Å; R260-F268 HydrophobicContact CB-CD1 3.88Å; R260-F268 CarbonylContact O-C 3.42Å; R260-F268 VanDerWaalsContact O-CA 3.28Å; R260-F268 WeakPolarHBondContact O-CA 3.46Å; R260-Q269 HydrophobicContact CB-CG 4.43Å; R260-Q269 WeakPolarHBondContact O-CG 3.34Å; R260-Q269 PolarHBondContact O-N 3.46Å; R260-T272 PolarHBondContact NH2-OG1 2.87Å; R260-Q284 HydrophobicContact CB-CG 4.18Å; R260-Q284 VanDerWaalsContact CG-NE2 3.28Å
261	Q	98.2	Very high	97.2	Very high	37 Å²	37	37 Å²	37	17%	0.173	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-76.6	124.6	173.6	-159	170.8	10	0	0	110.1	S258 G266 F268 N311	S258-Q261 PolarHBondContact O-N 3.42Å; Q261-G266 WeakPolarHBondContact CG-O 3.44Å; Q261-G266 PolarHBondContact NE2-O 3.31Å; Q261-F268 HydrophobicContact CB-CD1 3.91Å; Q261-F268 HydrophobicContact CB-CE1 3.46Å; Q261-F268 VanDerWaalsContact CB-CE1 3.46Å; Q261-F268 HydrophobicContact CB-CE2 4.5Å; Q261-F268 HydrophobicContact CB-CZ 3.79Å; Q261-F268 HydrophobicContact CG-CD1 4.37Å; Q261-F268 HydrophobicContact CG-CE1 3.98Å; Q261-F268 HydrophobicContact CG-CE2 4.11Å; Q261-F268 HydrophobicContact CG-CZ 3.83Å; Q261-N311 PolarHBondContact NE2-O 3.05Å
262	M	96.7	Very high	97.3	Very high	22 Å²	22	34.4 Å²	34.4	11%	0.108	18%	0.18	C	C	.	.			trans	-81.9	121.7	-176.2	-54.8	-58.1	-74.6	0	0	109.7	R260 T264 E265 G266 G267 Q269 V276	R260-M262 PolarHBondContact O-N 3.25Å; M262-T264 PolarHBondContact O-N 2.91Å; M262-E265 HydrophobicContact CB-CB 4.28Å; M262-E265 VanDerWaalsContact CB-OE2 3.27Å; M262-E265 WeakPolarHBondContact CB-OE2 3.2Å; M262-G266 WeakPolarHBondContact O-CA 3.46Å; M262-G266 PolarHBondContact O-N 3.47Å; M262-G267 PolarHBondContact N-O 2.82Å; M262-Q269 HydrophobicContact CG-CB 4.36Å; M262-Q269 HydrophobicContact SD-CB 3.73Å; M262-Q269 HydrophobicContact SD-CG 3.53Å; M262-Q269 VanDerWaalsContact SD-CG 3.53Å; M262-V276 HydrophobicContact CG-CB 3.97Å; M262-V276 HydrophobicContact CG-CG2 4.2Å
263	A	91.8	Very high	97.2	Very high	72 Å²	72	33.2 Å²	33.2	60%	0.595	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-43.6	-174.6	0	0	0	0	0	112.5	R10	R10-A263 WeakPolarHBondContact CB-O 3.41Å; R10-A263 VanDerWaalsContact CD-O 3.29Å; R10-A263 WeakPolarHBondContact CD-O 3.43Å
264	T	90.8	Very high	97.2	Very high	5 Å²	5	37.9 Å²	37.9	3%	0.031	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-52.8	-177	-46	0	0	0	0	111.4	F7 R10 R11 E30 M262	F7-T264 HydrophobicContact CD2-CG2 4.46Å; F7-T264 VanDerWaalsContact CD2-O 3.28Å; F7-T264 WeakPolarHBondContact CD2-O 3.29Å; F7-T264 HydrophobicContact CE1-CG2 4Å; F7-T264 HydrophobicContact CE2-CG2 3.83Å; F7-T264 VanDerWaalsContact CE2-O 3.24Å; F7-T264 WeakPolarHBondContact CE2-O 3.38Å; F7-T264 HydrophobicContact CZ-CG2 3.57Å; R10-T264 PolarHBondContact O-OG1 2.79Å; R11-T264 WeakPolarHBondContact CA-OG1 3.19Å; R11-T264 HydrophobicContact CB-CG2 3.9Å; R11-T264 HydrophobicContact CG-CG2 4.09Å; E30-T264 HydrophobicContact CG-CG2 4.3Å; M262-T264 PolarHBondContact O-N 2.91Å
265	E	94.3	Very high	97.2	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-32.9	-170.9	-56.7	95.4	133.6	0	0	113.1	Q26 V33 Y37 M262 G267 V276 Y318	Q26-E265 PolarHBondContact NE2-OE1 3.47Å; V33-E265 HydrophobicContact CB-CG 4.16Å; V33-E265 HydrophobicContact CG1-CB 4.09Å; V33-E265 HydrophobicContact CG1-CG 3.98Å; V33-E265 HydrophobicContact CG2-CG 3.96Å; Y37-E265 PolarHBondContact OH-O 3.2Å; M262-E265 HydrophobicContact CB-CB 4.28Å; M262-E265 VanDerWaalsContact CB-OE2 3.27Å; M262-E265 WeakPolarHBondContact CB-OE2 3.2Å; E265-G267 VanDerWaalsContact C-N 3.34Å; E265-V276 HydrophobicContact CB-CB 4.32Å; E265-V276 HydrophobicContact CB-CG1 4.11Å; E265-V276 HydrophobicContact CB-CG2 4.22Å; E265-V276 HydrophobicContact CG-CB 4.43Å; E265-V276 HydrophobicContact CG-CG1 3.93Å; E265-Y318 HydrophobicContact CB-CD2 4.16Å; E265-Y318 HydrophobicContact CB-CE2 4.28Å; E265-Y318 WeakPolarHBondContact O-CB 3.48Å; E265-Y318 WeakPolarHBondContact O-CD2 3.45Å
266	G	95	Very high	97.2	Very high	1 Å²	1	35 Å²	35	1%	0.01	18%	0.184	C	C	.	.	S	Bend	trans	91.4	-23.3	-177.8	0	0	0	0	0	115	Q261 M262	Q261-G266 WeakPolarHBondContact CG-O 3.44Å; Q261-G266 PolarHBondContact NE2-O 3.31Å; M262-G266 WeakPolarHBondContact O-CA 3.46Å; M262-G266 PolarHBondContact O-N 3.47Å
267	G	97.7	Very high	97.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.189	C	C	.	.	S	Bend	trans	-78.1	-172.3	175	0	0	0	0	0	113.9	M262 E265 Y318	M262-G267 PolarHBondContact N-O 2.82Å; E265-G267 VanDerWaalsContact C-N 3.34Å; G267-Y318 VanDerWaalsContact CA-CD1 3.5Å
268	F	98.8	Very high	97.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-110.4	144.5	-179.7	-74.3	-89	0	0	0	113.2	R260 Q261 V276 D277 Q284 F288 F310 L315	R260-F268 VanDerWaalsContact C-CD1 3.44Å; R260-F268 HydrophobicContact CB-CD1 3.88Å; R260-F268 CarbonylContact O-C 3.42Å; R260-F268 VanDerWaalsContact O-CA 3.28Å; R260-F268 WeakPolarHBondContact O-CA 3.46Å; Q261-F268 HydrophobicContact CB-CD1 3.91Å; Q261-F268 HydrophobicContact CB-CE1 3.46Å; Q261-F268 VanDerWaalsContact CB-CE1 3.46Å; Q261-F268 HydrophobicContact CB-CE2 4.5Å; Q261-F268 HydrophobicContact CB-CZ 3.79Å; Q261-F268 HydrophobicContact CG-CD1 4.37Å; Q261-F268 HydrophobicContact CG-CE1 3.98Å; Q261-F268 HydrophobicContact CG-CE2 4.11Å; Q261-F268 HydrophobicContact CG-CZ 3.83Å; F268-V276 WeakPolarHBondContact O-CA 3.27Å; F268-D277 PolarHBondContact O-N 2.73Å; F268-Q284 HydrophobicContact CB-CB 4Å; F268-Q284 HydrophobicContact CB-CG 3.96Å; F268-Q284 HydrophobicContact CD1-CB 3.51Å; F268-Q284 HydrophobicContact CD1-CG 4.06Å; F268-Q284 HydrophobicContact CD2-CB 4.42Å; F268-Q284 HydrophobicContact CE1-CB 4.07Å; F268-Q284 HydrophobicContact CG-CB 3.73Å; F268-Q284 HydrophobicContact CG-CG 4.22Å; F268-F288 AromaticContact CE1-CE2 3.62Å; F268-F288 HydrophobicContact CE1-CE2 3.62Å; F268-F288 HydrophobicContact CE1-CZ 4.07Å; F268-F288 HydrophobicContact CZ-CD2 4.44Å; F268-F288 AromaticContact CZ-CE2 3.6Å; F268-F288 HydrophobicContact CZ-CE2 3.6Å; F268-F288 HydrophobicContact CZ-CZ 4.28Å; F268-F310 HydrophobicContact CE2-CD2 4.16Å; F268-F310 HydrophobicContact CZ-CB 4.22Å; F268-F310 AromaticContact CZ-CD2 3.93Å; F268-F310 HydrophobicContact CZ-CD2 3.93Å; F268-F310 HydrophobicContact CZ-CG 4.4Å; F268-L315 HydrophobicContact CD2-CD1 3.85Å; F268-L315 HydrophobicContact CD2-CD2 4.38Å; F268-L315 HydrophobicContact CE2-CD1 4.08Å; F268-L315 HydrophobicContact CE2-CD2 3.98Å; F268-L315 HydrophobicContact CE2-CG 4.46Å
269	Q	98.6	Very high	97.2	Very high	16 Å²	16	33.7 Å²	33.7	8%	0.075	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-92	149.8	163.9	63.7	-177.6	-27	0	0	110.9	H259 R260 M262 R271 K274 L275 Q284	H259-Q269 PolarHBondContact O-NE2 3.33Å; R260-Q269 HydrophobicContact CB-CG 4.43Å; R260-Q269 WeakPolarHBondContact O-CG 3.34Å; R260-Q269 PolarHBondContact O-N 3.46Å; M262-Q269 HydrophobicContact CG-CB 4.36Å; M262-Q269 HydrophobicContact SD-CB 3.73Å; M262-Q269 HydrophobicContact SD-CG 3.53Å; M262-Q269 VanDerWaalsContact SD-CG 3.53Å; Q269-R271 VanDerWaalsContact CD-O 3.29Å; Q269-R271 WeakPolarHBondContact CG-O 3.47Å; Q269-R271 PolarHBondContact OE1-O 2.86Å; Q269-K274 VanDerWaalsContact OE1-N 3.14Å; Q269-K274 PolarHBondContact OE1-O 3.43Å; Q269-L275 WeakPolarHBondContact CB-O 3.26Å; Q269-Q284 PolarHBondContact O-NE2 3.36Å
270	G	98.4	Very high	97.2	Very high	2 Å²	2	29.3 Å²	29.3	2%	0.021	15%	0.153	C	C	.	.	S	Bend	trans	-70.7	-32.4	179.2	0	0	0	0	0	114.2	H228 G229 Y280 Q284	H228-G270 CarbonylContact C-O 3.55Å; H228-G270 WeakPolarHBondContact CA-O 3.49Å; G229-G270 PolarHBondContact N-O 3.25Å; G270-Y280 VanDerWaalsContact CA-CE1 3.41Å; G270-Y280 VanDerWaalsContact CA-CE2 3.46Å; G270-Y280 VanDerWaalsContact N-CD2 3.34Å; G270-Q284 PolarHBondContact O-NE2 3.11Å
271	R	98.5	Very high	97.2	Very high	83 Å²	83	28.7 Å²	28.7	31%	0.313	15%	0.151	S	C	.	.	S	Bend	trans	-156.7	164.7	-176.7	54.4	174.4	160.3	164.2	2.2	109.5	E226 A227 Q269 K274	E226-R271 VanDerWaalsContact OE1-CD 3.31Å; E226-R271 WeakPolarHBondContact OE1-CD 3.28Å; E226-R271 WeakPolarHBondContact OE2-CD 3.49Å; E226-R271 IonicContact OE2-CZ 3.52Å; E226-R271 IonicContact OE2-NE 3.51Å; E226-R271 IonicContact OE2-NH1 2.76Å; E226-R271 PolarHBondContact OE2-NH1 2.9Å; A227-R271 VanDerWaalsContact O-CB 3.25Å; A227-R271 WeakPolarHBondContact O-CB 3.48Å; Q269-R271 VanDerWaalsContact CD-O 3.29Å; Q269-R271 WeakPolarHBondContact CG-O 3.47Å; Q269-R271 PolarHBondContact OE1-O 2.86Å; R271-K274 HydrophobicContact CG-CB 4.07Å; R271-K274 HydrophobicContact CG-CG 3.42Å; R271-K274 VanDerWaalsContact CG-CG 3.42Å; R271-K274 PolarHBondContact O-N 3.41Å
272	T	98.4	Very high	97.2	Very high	45 Å²	45	27 Å²	27	28%	0.276	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	136	-177.1	-52.4	0	0	0	0	111.5	E216 R260 K274	E216-T272 PolarHBondContact OE1-OG1 2.84Å; R260-T272 PolarHBondContact NH2-OG1 2.87Å; T272-K274 VanDerWaalsContact C-N 3.31Å; T272-K274 PolarHBondContact O-N 2.92Å
273	N	97.2	Very high	97.3	Very high	113 Å²	113	27.1 Å²	27.1	60%	0.604	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.4	33	178.5	-72.1	-42.5	0	0	0	114.7	T22	T22-N273 HydrophobicContact CG2-CB 3.92Å
274	K	98.1	Very high	97.7	Very high	99 Å²	99	23.7 Å²	23.7	43%	0.43	11%	0.113	S	C	.	.			trans	-120	172.9	169.6	-65.1	-65.7	-70.9	178	0	109.8	Q269 R271 T272	Q269-K274 VanDerWaalsContact OE1-N 3.14Å; Q269-K274 PolarHBondContact OE1-O 3.43Å; R271-K274 HydrophobicContact CG-CB 4.07Å; R271-K274 HydrophobicContact CG-CG 3.42Å; R271-K274 VanDerWaalsContact CG-CG 3.42Å; R271-K274 PolarHBondContact O-N 3.41Å; T272-K274 VanDerWaalsContact C-N 3.31Å; T272-K274 PolarHBondContact O-N 2.92Å
275	L	97.8	Very high	98	Very high	49 Å²	49	23.4 Å²	23.4	26%	0.257	11%	0.112	S	C	.	.			trans	-80.2	155.4	-173.2	-51.3	177.4	0	0	0	110.7	D25 Q26 Q269	D25-L275 HydrophobicContact CB-CD1 4.38Å; D25-L275 HydrophobicContact CB-CD2 4.1Å; Q26-L275 HydrophobicContact CB-CD2 4.28Å; Q269-L275 WeakPolarHBondContact CB-O 3.26Å
276	V	98.2	Very high	98.2	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.112	C	C	.	.	B	Isolated β-bridge	trans	-55.4	143.9	165.8	68.8	0	0	0	0	110.6	T29 M262 E265 F268 Y318 K368	T29-V276 HydrophobicContact CG2-CG1 3.86Å; M262-V276 HydrophobicContact CG-CB 3.97Å; M262-V276 HydrophobicContact CG-CG2 4.2Å; E265-V276 HydrophobicContact CB-CB 4.32Å; E265-V276 HydrophobicContact CB-CG1 4.11Å; E265-V276 HydrophobicContact CB-CG2 4.22Å; E265-V276 HydrophobicContact CG-CB 4.43Å; E265-V276 HydrophobicContact CG-CG1 3.93Å; F268-V276 WeakPolarHBondContact O-CA 3.27Å; V276-Y318 HydrophobicContact CG1-CE2 4.02Å; V276-Y318 HydrophobicContact CG2-CD1 4.4Å; V276-Y318 HydrophobicContact CG2-CE1 3.8Å; V276-Y318 HydrophobicContact CG2-CE2 3.92Å; V276-K368 WeakPolarHBondContact O-CE 3.29Å; V276-K368 PolarHBondContact O-NZ 3.45Å
277	D	98.6	Very high	98.3	Very high	24 Å²	24	23.3 Å²	23.3	13%	0.128	11%	0.111	C	C	.	.			trans	-153.1	131.6	173.5	168.9	-12.9	0	0	0	109.4	F268 C279 Y280 D367 H377	F268-D277 PolarHBondContact O-N 2.73Å; D277-C279 PolarHBondContact O-N 2.86Å; D277-C279 PolarHBondContact OD1-N 3.46Å; D277-C279 PolarHBondContact OD1-SG 3Å; D277-C279 PolarHBondContact OD2-SG 2.97Å; D277-Y280 HydrophobicContact CB-CD2 3.66Å; D277-Y280 HydrophobicContact CB-CE2 3.75Å; D277-Y280 PolarHBondContact O-N 3.36Å; D277-Y280 VanDerWaalsContact O-N 3.11Å; D277-D367 VanDerWaalsContact CA-OD1 3.23Å; D277-D367 WeakPolarHBondContact CA-OD1 3.25Å; D277-D367 WeakPolarHBondContact CB-OD1 3.12Å; D277-H377 IonicContact OD1-CD2 3.41Å; D277-H377 IonicContact OD1-NE2 3.83Å; D277-H377 PolarHBondContact OD1-NE2 3.04Å; D277-H377 IonicContact OD2-NE2 2.69Å
278	S	98.3	Very high	98.3	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-23.1	-173.6	69.2	0	0	0	0	114.4	Y280 S281 C323 I366 D367 S381	S278-Y280 PolarHBondContact O-N 3.3Å; S278-S281 WeakPolarHBondContact O-CB 3.13Å; S278-S281 PolarHBondContact O-N 3.31Å; S278-S281 VanDerWaalsContact O-N 3.07Å; S278-S281 PolarHBondContact O-OG 3.41Å; S278-C323 VanDerWaalsContact CB-SG 3.6Å; S278-I366 VanDerWaalsContact CB-O 3.32Å; S278-I366 WeakPolarHBondContact CB-O 3.31Å; S278-I366 PolarHBondContact OG-O 3.18Å; S278-D367 VanDerWaalsContact CB-O 3.23Å; S278-D367 WeakPolarHBondContact CB-O 3.17Å; S278-D367 PolarHBondContact N-O 2.82Å; S278-D367 WeakPolarHBondContact OG-CA 3.42Å; S278-D367 PolarHBondContact OG-O 2.8Å; S278-S381 WeakPolarHBondContact CB-OG 3.24Å; S278-S381 PolarHBondContact OG-OG 3.49Å
279	C	98.6	Very high	98.1	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.007	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-28.6	176.1	71.4	0	0	0	0	112.1	D277 S281 F282 W283 Y376	D277-C279 PolarHBondContact O-N 2.86Å; D277-C279 PolarHBondContact OD1-N 3.46Å; D277-C279 PolarHBondContact OD1-SG 3Å; D277-C279 PolarHBondContact OD2-SG 2.97Å; C279-S281 PolarHBondContact O-N 2.63Å; C279-F282 PolarHBondContact O-N 2.89Å; C279-W283 PolarHBondContact O-N 3.23Å; C279-Y376 HydrophobicContact CB-CD1 4.28Å; C279-Y376 HydrophobicContact CB-CE1 3.31Å; C279-Y376 WeakPolarHBondContact CB-OH 2.96Å; C279-Y376 PolarHBondContact SG-OH 3.13Å
280	Y	98.8	Very high	97.8	Very high	33 Å²	33	23 Å²	23	13%	0.129	11%	0.11	C	C	.	.	H	α-helix	trans	-71.2	-8.9	174.6	-61.2	-63.6	0	0	0	113.2	H228 G270 D277 S278 F282 W283 Q284 G285	H228-Y280 AromaticContact CE1-CE1 3.75Å; H228-Y280 AromaticContact CE1-CZ 3.88Å; H228-Y280 PolarHBondContact CE1-OH 3.22Å; H228-Y280 AromaticContact NE2-CZ 3.99Å; H228-Y280 PolarHBondContact NE2-OH 3.37Å; H228-Y280 VanDerWaalsContact NE2-OH 3.13Å; G270-Y280 VanDerWaalsContact CA-CE1 3.41Å; G270-Y280 VanDerWaalsContact CA-CE2 3.46Å; G270-Y280 VanDerWaalsContact N-CD2 3.34Å; D277-Y280 HydrophobicContact CB-CD2 3.66Å; D277-Y280 HydrophobicContact CB-CE2 3.75Å; D277-Y280 PolarHBondContact O-N 3.36Å; D277-Y280 VanDerWaalsContact O-N 3.11Å; S278-Y280 PolarHBondContact O-N 3.3Å; Y280-F282 PolarHBondContact O-N 3.24Å; Y280-W283 HydrophobicContact CD1-CB 3.95Å; Y280-W283 HydrophobicContact CD1-CG 4.45Å; Y280-W283 PolarHBondContact O-N 3.33Å; Y280-Q284 HydrophobicContact CD1-CG 4.35Å; Y280-Q284 HydrophobicContact CG-CG 4.42Å; Y280-Q284 WeakPolarHBondContact O-CB 3.1Å; Y280-Q284 PolarHBondContact O-N 2.93Å; Y280-G285 PolarHBondContact O-N 2.86Å
281	S	98.7	Very high	97.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-54.5	-35.1	167.2	-48.7	0	0	0	0	111.3	S278 C279 G285 G384	S278-S281 WeakPolarHBondContact O-CB 3.13Å; S278-S281 PolarHBondContact O-N 3.31Å; S278-S281 VanDerWaalsContact O-N 3.07Å; S278-S281 PolarHBondContact O-OG 3.41Å; C279-S281 PolarHBondContact O-N 2.63Å; S281-G285 VanDerWaalsContact O-CA 3.32Å; S281-G285 WeakPolarHBondContact O-CA 3.27Å; S281-G285 PolarHBondContact O-N 2.91Å; S281-G384 VanDerWaalsContact C-CA 3.47Å; S281-G384 VanDerWaalsContact O-CA 3.24Å; S281-G384 WeakPolarHBondContact O-CA 3.5Å
282	F	98.8	Very high	97.4	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-90.2	-54.8	170.6	-178.3	-98.7	0	0	0	112	F233 C279 Y280 Q284 G285 A286 Y380 V387 L425 N430	F233-F282 HydrophobicContact CD2-CE1 4.19Å; F233-F282 HydrophobicContact CD2-CZ 4.5Å; F233-F282 AromaticContact CE1-CE1 3.97Å; F233-F282 HydrophobicContact CE1-CE1 3.97Å; F233-F282 HydrophobicContact CE1-CZ 4.47Å; F233-F282 AromaticContact CE2-CE1 3.62Å; F233-F282 HydrophobicContact CE2-CE1 3.62Å; F233-F282 AromaticContact CE2-CZ 3.6Å; F233-F282 HydrophobicContact CE2-CZ 3.6Å; F233-F282 AromaticContact CZ-CE1 3.51Å; F233-F282 HydrophobicContact CZ-CE1 3.51Å; F233-F282 AromaticContact CZ-CZ 3.59Å; F233-F282 HydrophobicContact CZ-CZ 3.59Å; C279-F282 PolarHBondContact O-N 2.89Å; Y280-F282 PolarHBondContact O-N 3.24Å; F282-Q284 VanDerWaalsContact C-N 3.25Å; F282-Q284 PolarHBondContact O-N 3.19Å; F282-Q284 VanDerWaalsContact O-N 3.14Å; F282-G285 PolarHBondContact O-N 3.07Å; F282-A286 HydrophobicContact CD2-CB 3.89Å; F282-A286 HydrophobicContact CE1-CB 4.35Å; F282-A286 HydrophobicContact CE2-CB 3.53Å; F282-A286 HydrophobicContact CG-CB 4.43Å; F282-A286 HydrophobicContact CZ-CB 3.75Å; F282-A286 WeakPolarHBondContact O-CB 3.44Å; F282-A286 PolarHBondContact O-N 2.89Å; F282-Y380 HydrophobicContact CB-CD1 3.92Å; F282-Y380 AromaticContact CD1-CD1 3.69Å; F282-Y380 HydrophobicContact CD1-CD1 3.69Å; F282-Y380 AromaticContact CD1-CE1 3.94Å; F282-Y380 HydrophobicContact CD1-CE1 3.94Å; F282-Y380 HydrophobicContact CE1-CE1 4.47Å; F282-Y380 AromaticContact CG-CD1 3.96Å; F282-Y380 HydrophobicContact CG-CD1 3.96Å; F282-V387 HydrophobicContact CD2-CG2 4.35Å; F282-L425 HydrophobicContact CE2-CD1 3.89Å; F282-N430 HydrophobicContact CE1-CB 3.87Å; F282-N430 HydrophobicContact CE2-CB 3.84Å; F282-N430 WeakPolarHBondContact CE2-OD1 3.47Å; F282-N430 HydrophobicContact CZ-CB 3.37Å
283	W	98.8	Very high	97	Very high	25 Å²	25	19 Å²	19	10%	0.095	9%	0.092	C	C	.	.	H	α-helix	trans	-61.1	-29.7	-171.5	-59.5	119.9	0	0	0	114.4	F233 C279 Y280 Y376 Y380	F233-W283 HydrophobicContact CB-CE3 3.94Å; F233-W283 WeakPolarHBondContact CB-O 3.38Å; F233-W283 AromaticContact CD1-CE3 3.49Å; F233-W283 HydrophobicContact CD1-CE3 3.49Å; F233-W283 VanDerWaalsContact CD1-CE3 3.49Å; F233-W283 AromaticContact CD1-CZ3 3.42Å; F233-W283 HydrophobicContact CD1-CZ3 3.42Å; F233-W283 VanDerWaalsContact CD1-CZ3 3.42Å; F233-W283 HydrophobicContact CE1-CE3 4.16Å; F233-W283 AromaticContact CE1-CZ3 3.78Å; F233-W283 HydrophobicContact CE1-CZ3 3.78Å; F233-W283 AromaticContact CG-CE3 3.74Å; F233-W283 HydrophobicContact CG-CE3 3.74Å; F233-W283 HydrophobicContact CG-CZ3 4.16Å; C279-W283 PolarHBondContact O-N 3.23Å; Y280-W283 HydrophobicContact CD1-CB 3.95Å; Y280-W283 HydrophobicContact CD1-CG 4.45Å; Y280-W283 PolarHBondContact O-N 3.33Å; W283-Y376 AromaticContact NE1-CZ 3.86Å; W283-Y376 PolarHBondContact NE1-OH 3.49Å; W283-Y380 AromaticContact CE2-CE1 3.96Å; W283-Y380 AromaticContact CH2-CE1 3.84Å; W283-Y380 HydrophobicContact CH2-CE1 3.84Å; W283-Y380 AromaticContact CH2-CZ 3.77Å; W283-Y380 WeakPolarHBondContact CH2-OH 3.39Å; W283-Y380 HydrophobicContact CZ2-CD1 4.18Å; W283-Y380 HydrophobicContact CZ2-CD2 4.4Å; W283-Y380 AromaticContact CZ2-CE1 3.52Å; W283-Y380 HydrophobicContact CZ2-CE1 3.52Å; W283-Y380 AromaticContact CZ2-CE2 3.78Å; W283-Y380 HydrophobicContact CZ2-CE2 3.78Å; W283-Y380 AromaticContact CZ2-CZ 3.28Å; W283-Y380 WeakPolarHBondContact CZ2-OH 3.45Å
284	Q	98.7	Very high	96.8	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-44.9	169.9	-58.2	-76	20.5	0	0	110.6	G229 V257 R260 F268 Q269 G270 Y280 F282 A286 I287	G229-Q284 VanDerWaalsContact CA-CD 3.47Å; G229-Q284 VanDerWaalsContact CA-NE2 3.26Å; V257-Q284 HydrophobicContact CG2-CB 4.28Å; R260-Q284 HydrophobicContact CB-CG 4.18Å; R260-Q284 VanDerWaalsContact CG-NE2 3.28Å; F268-Q284 HydrophobicContact CB-CB 4Å; F268-Q284 HydrophobicContact CB-CG 3.96Å; F268-Q284 HydrophobicContact CD1-CB 3.51Å; F268-Q284 HydrophobicContact CD1-CG 4.06Å; F268-Q284 HydrophobicContact CD2-CB 4.42Å; F268-Q284 HydrophobicContact CE1-CB 4.07Å; F268-Q284 HydrophobicContact CG-CB 3.73Å; F268-Q284 HydrophobicContact CG-CG 4.22Å; Q269-Q284 PolarHBondContact O-NE2 3.36Å; G270-Q284 PolarHBondContact O-NE2 3.11Å; Y280-Q284 HydrophobicContact CD1-CG 4.35Å; Y280-Q284 HydrophobicContact CG-CG 4.42Å; Y280-Q284 WeakPolarHBondContact O-CB 3.1Å; Y280-Q284 PolarHBondContact O-N 2.93Å; F282-Q284 VanDerWaalsContact C-N 3.25Å; F282-Q284 PolarHBondContact O-N 3.19Å; F282-Q284 VanDerWaalsContact O-N 3.14Å; Q284-A286 PolarHBondContact O-N 3.48Å; Q284-I287 WeakPolarHBondContact O-CB 3.25Å; Q284-I287 PolarHBondContact O-N 3.47Å; Q284-I287 VanDerWaalsContact O-N 3.12Å
285	G	98.3	Very high	96.5	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-40.2	-174.8	0	0	0	0	0	114	Y280 S281 F282 I287 F288 P289	Y280-G285 PolarHBondContact O-N 2.86Å; S281-G285 VanDerWaalsContact O-CA 3.32Å; S281-G285 WeakPolarHBondContact O-CA 3.27Å; S281-G285 PolarHBondContact O-N 2.91Å; F282-G285 PolarHBondContact O-N 3.07Å; G285-I287 PolarHBondContact O-N 3.46Å; G285-F288 PolarHBondContact O-N 3.45Å; G285-P289 WeakPolarHBondContact O-CD 3.5Å
286	A	97.6	Very high	96.2	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-15	-179.5	0	0	0	0	0	113.8	F233 F282 Q284 F288 P289 I290 V387 P427	F233-A286 HydrophobicContact CD2-CB 4.11Å; F233-A286 HydrophobicContact CE2-CB 3.81Å; F282-A286 HydrophobicContact CD2-CB 3.89Å; F282-A286 HydrophobicContact CE1-CB 4.35Å; F282-A286 HydrophobicContact CE2-CB 3.53Å; F282-A286 HydrophobicContact CG-CB 4.43Å; F282-A286 HydrophobicContact CZ-CB 3.75Å; F282-A286 WeakPolarHBondContact O-CB 3.44Å; F282-A286 PolarHBondContact O-N 2.89Å; Q284-A286 PolarHBondContact O-N 3.48Å; A286-F288 VanDerWaalsContact C-N 3.33Å; A286-P289 WeakPolarHBondContact O-CD 3.28Å; A286-I290 WeakPolarHBondContact O-CG1 3.49Å; A286-V387 HydrophobicContact CB-CG2 4.42Å; A286-P427 HydrophobicContact CB-CB 4.39Å
287	I	98.2	Very high	95.6	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-69.2	-34.5	173.9	-61.9	174.4	0	0	0	110.3	A232 L253 V257 Q284 G285 I290 V291	A232-I287 HydrophobicContact CB-CD1 3.89Å; L253-I287 HydrophobicContact CD1-CG2 4.49Å; L253-I287 HydrophobicContact CD2-CG2 4.22Å; L253-I287 HydrophobicContact CG-CG2 4.41Å; V257-I287 HydrophobicContact CG1-CG2 4.34Å; V257-I287 HydrophobicContact CG2-CB 4.21Å; V257-I287 HydrophobicContact CG2-CD1 4.18Å; V257-I287 HydrophobicContact CG2-CG2 4.31Å; Q284-I287 WeakPolarHBondContact O-CB 3.25Å; Q284-I287 PolarHBondContact O-N 3.47Å; Q284-I287 VanDerWaalsContact O-N 3.12Å; G285-I287 PolarHBondContact O-N 3.46Å; I287-I290 PolarHBondContact O-N 3.36Å; I287-V291 HydrophobicContact CG2-CG2 3.85Å; I287-V291 VanDerWaalsContact O-CG2 3.32Å; I287-V291 WeakPolarHBondContact O-CG2 3.33Å; I287-V291 PolarHBondContact O-N 3.23Å
288	F	97.3	Very high	95.2	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-63.2	-49.7	-176.8	-65.3	-83.1	0	0	0	113.1	L254 V257 F268 G285 A286 I290 V291 E292 L309 F310	L254-F288 HydrophobicContact CD1-CD1 4.41Å; L254-F288 HydrophobicContact CD1-CE1 4.36Å; V257-F288 HydrophobicContact CB-CZ 4.28Å; V257-F288 HydrophobicContact CG1-CD1 4.34Å; V257-F288 HydrophobicContact CG1-CE1 3.75Å; V257-F288 HydrophobicContact CG1-CE2 4.44Å; V257-F288 HydrophobicContact CG1-CZ 3.82Å; V257-F288 HydrophobicContact CG2-CD2 4.5Å; V257-F288 HydrophobicContact CG2-CE2 3.78Å; V257-F288 HydrophobicContact CG2-CZ 3.81Å; F268-F288 AromaticContact CE1-CE2 3.62Å; F268-F288 HydrophobicContact CE1-CE2 3.62Å; F268-F288 HydrophobicContact CE1-CZ 4.07Å; F268-F288 HydrophobicContact CZ-CD2 4.44Å; F268-F288 AromaticContact CZ-CE2 3.6Å; F268-F288 HydrophobicContact CZ-CE2 3.6Å; F268-F288 HydrophobicContact CZ-CZ 4.28Å; G285-F288 PolarHBondContact O-N 3.45Å; A286-F288 VanDerWaalsContact C-N 3.33Å; F288-I290 VanDerWaalsContact C-N 3.25Å; F288-I290 PolarHBondContact O-N 3.19Å; F288-V291 PolarHBondContact O-N 3.26Å; F288-V291 VanDerWaalsContact O-N 3.13Å; F288-E292 WeakPolarHBondContact O-CB 3.29Å; F288-E292 VanDerWaalsContact O-CG 3.31Å; F288-E292 WeakPolarHBondContact O-CG 3.45Å; F288-E292 PolarHBondContact O-N 3.43Å; F288-L309 HydrophobicContact CD1-CB 3.63Å; F288-L309 HydrophobicContact CE1-CB 4.31Å; F288-L309 WeakPolarHBondContact CE1-O 3.04Å; F288-F310 HydrophobicContact CB-CD1 3.66Å; F288-F310 HydrophobicContact CB-CE1 4.04Å; F288-F310 HydrophobicContact CD1-CB 3.99Å; F288-F310 HydrophobicContact CD1-CD1 4.24Å; F288-F310 HydrophobicContact CD1-CG 4.49Å; F288-F310 HydrophobicContact CD2-CB 3.84Å; F288-F310 AromaticContact CD2-CD1 3.8Å; F288-F310 HydrophobicContact CD2-CD1 3.8Å; F288-F310 HydrophobicContact CD2-CE1 4.49Å; F288-F310 AromaticContact CD2-CG 3.82Å; F288-F310 HydrophobicContact CD2-CG 3.82Å; F288-F310 HydrophobicContact CE1-CB 3.79Å; F288-F310 HydrophobicContact CE2-CB 3.67Å; F288-F310 HydrophobicContact CE2-CD1 4.49Å; F288-F310 HydrophobicContact CE2-CG 4.08Å; F288-F310 HydrophobicContact CG-CB 3.99Å; F288-F310 AromaticContact CG-CD1 3.64Å; F288-F310 HydrophobicContact CG-CD1 3.64Å; F288-F310 HydrophobicContact CG-CE1 4.42Å; F288-F310 HydrophobicContact CG-CG 4.04Å; F288-F310 HydrophobicContact CZ-CB 3.63Å; F288-F310 HydrophobicContact CZ-CG 4.49Å
289	P	93.7	Very high	94.9	Very high	5 Å²	5	22 Å²	22	3%	0.032	13%	0.127	C	C	.	.	H	α-helix	trans	-56.9	-37.3	174.1	-25.5	32.5	0	0	0	113.7	G285 A286 E293 V387 R393 P427	G285-P289 WeakPolarHBondContact O-CD 3.5Å; A286-P289 WeakPolarHBondContact O-CD 3.28Å; P289-E293 WeakPolarHBondContact O-CB 3.22Å; P289-E293 PolarHBondContact O-N 3.05Å; P289-V387 HydrophobicContact CG-CG1 3.79Å; P289-R393 HydrophobicContact CB-CG 4.32Å; P289-P427 HydrophobicContact CB-CB 4.37Å; P289-P427 HydrophobicContact CB-CG 4.38Å
290	I	93.8	Very high	94.6	Very high	4 Å²	4	24.9 Å²	24.9	2%	0.021	14%	0.142	C	C	.	.	H	α-helix	trans	-65.5	-46.7	176.4	-61.5	169.5	0	0	0	110.1	V236 C240 A286 I287 F288 E292 E293 L294 P427 T428	V236-I290 HydrophobicContact CG1-CB 4.37Å; V236-I290 HydrophobicContact CG1-CD1 4.21Å; V236-I290 HydrophobicContact CG1-CG2 3.75Å; C240-I290 WeakPolarHBondContact SG-CG2 3.48Å; A286-I290 WeakPolarHBondContact O-CG1 3.49Å; I287-I290 PolarHBondContact O-N 3.36Å; F288-I290 VanDerWaalsContact C-N 3.25Å; F288-I290 PolarHBondContact O-N 3.19Å; I290-E292 PolarHBondContact O-N 3.24Å; I290-E293 PolarHBondContact O-N 3.23Å; I290-L294 HydrophobicContact CG2-CD1 4.22Å; I290-L294 HydrophobicContact CG2-CG 4.49Å; I290-L294 VanDerWaalsContact O-CG 3.29Å; I290-L294 WeakPolarHBondContact O-CG 3.41Å; I290-L294 PolarHBondContact O-N 2.76Å; I290-P427 HydrophobicContact CG1-CB 4.26Å; I290-P427 HydrophobicContact CG1-CG 4.4Å; I290-T428 HydrophobicContact CD1-CG2 4.03Å; I290-T428 HydrophobicContact CG1-CG2 4.19Å
291	V	94.8	Very high	94.3	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-62.6	-43.5	177.8	170.9	0	0	0	0	111.2	L250 L253 L254 I287 F288 E293 L294 L295 L309	L250-V291 HydrophobicContact CD1-CB 4.29Å; L250-V291 HydrophobicContact CD1-CG1 3.94Å; L250-V291 HydrophobicContact CD1-CG2 3.82Å; L250-V291 HydrophobicContact CG-CG1 4.33Å; L253-V291 HydrophobicContact CD2-CG2 4.15Å; L254-V291 HydrophobicContact CB-CG1 4.38Å; L254-V291 HydrophobicContact CD1-CG1 4.19Å; L254-V291 HydrophobicContact CD2-CG1 4.42Å; I287-V291 HydrophobicContact CG2-CG2 3.85Å; I287-V291 VanDerWaalsContact O-CG2 3.32Å; I287-V291 WeakPolarHBondContact O-CG2 3.33Å; I287-V291 PolarHBondContact O-N 3.23Å; F288-V291 PolarHBondContact O-N 3.26Å; F288-V291 VanDerWaalsContact O-N 3.13Å; V291-E293 VanDerWaalsContact C-N 3.32Å; V291-E293 PolarHBondContact O-N 3.29Å; V291-L294 PolarHBondContact O-N 3.13Å; V291-L295 HydrophobicContact CG1-CD1 3.93Å; V291-L295 HydrophobicContact CG1-CG 4.26Å; V291-L295 VanDerWaalsContact O-CG 3.29Å; V291-L295 WeakPolarHBondContact O-CG 3.41Å; V291-L295 PolarHBondContact O-N 3.17Å; V291-L309 HydrophobicContact CG1-CD1 3.9Å
292	E	93.2	Very high	93.9	Very high	1 Å²	1	34 Å²	34	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-58.7	-42.8	176	-75	176.1	-169.5	0	0	111.9	F288 I290 L295 W296 L303 L309 R395	F288-E292 WeakPolarHBondContact O-CB 3.29Å; F288-E292 VanDerWaalsContact O-CG 3.31Å; F288-E292 WeakPolarHBondContact O-CG 3.45Å; F288-E292 PolarHBondContact O-N 3.43Å; I290-E292 PolarHBondContact O-N 3.24Å; E292-L295 PolarHBondContact O-N 2.88Å; E292-W296 WeakPolarHBondContact O-CB 3.17Å; E292-W296 PolarHBondContact O-N 2.98Å; E292-L303 HydrophobicContact CG-CD1 4.33Å; E292-L303 WeakPolarHBondContact O-CD2 3.45Å; E292-L309 HydrophobicContact CG-CB 4.43Å; E292-L309 HydrophobicContact CG-CD1 3.52Å; E292-L309 HydrophobicContact CG-CG 3.72Å; E292-L309 PolarHBondContact OE1-N 3.48Å; E292-L309 VanDerWaalsContact OE1-N 3.11Å; E292-R395 IonicContact OE2-NH2 3.5Å; E292-R395 PolarHBondContact OE2-NH2 3.37Å; E292-R395 VanDerWaalsContact OE2-NH2 3.11Å
293	E	90.1	Very high	93.6	Very high	46 Å²	46	35.3 Å²	35.3	22%	0.215	22%	0.22	C	C	.	.	H	α-helix	trans	-63.3	-44.8	174.4	-174.1	176.6	172.3	0	0	111.8	P289 I290 V291 L295 W296 L297 Y399	P289-E293 WeakPolarHBondContact O-CB 3.22Å; P289-E293 PolarHBondContact O-N 3.05Å; I290-E293 PolarHBondContact O-N 3.23Å; V291-E293 VanDerWaalsContact C-N 3.32Å; V291-E293 PolarHBondContact O-N 3.29Å; E293-L295 PolarHBondContact O-N 3.3Å; E293-W296 PolarHBondContact O-N 2.73Å; E293-L297 HydrophobicContact CG-CD1 4.12Å; E293-L297 HydrophobicContact CG-CG 4.46Å; E293-L297 WeakPolarHBondContact O-CB 3.35Å; E293-L297 VanDerWaalsContact O-CG 3.31Å; E293-L297 WeakPolarHBondContact O-CG 3.4Å; E293-L297 PolarHBondContact O-N 2.86Å; E293-Y399 VanDerWaalsContact OE1-CD1 3.27Å; E293-Y399 WeakPolarHBondContact OE1-CD1 3.26Å; E293-Y399 WeakPolarHBondContact OE1-CE1 3.24Å; E293-Y399 VanDerWaalsContact OE1-CZ 3.3Å
294	L	91.9	Very high	93.1	Very high	26 Å²	26	37.5 Å²	37.5	14%	0.136	23%	0.233	C	C	.	.	H	α-helix	trans	-63.5	-39	177.4	-67.2	176.3	0	0	0	112.6	S245 I248 L250 I290 V291 S298	S245-L294 WeakPolarHBondContact OG-CD2 3.13Å; I248-L294 HydrophobicContact CD1-CD1 4.33Å; L250-L294 HydrophobicContact CD1-CD1 4.04Å; L250-L294 HydrophobicContact CD2-CB 4.05Å; I290-L294 HydrophobicContact CG2-CD1 4.22Å; I290-L294 HydrophobicContact CG2-CG 4.49Å; I290-L294 VanDerWaalsContact O-CG 3.29Å; I290-L294 WeakPolarHBondContact O-CG 3.41Å; I290-L294 PolarHBondContact O-N 2.76Å; V291-L294 PolarHBondContact O-N 3.13Å; L294-S298 WeakPolarHBondContact O-CB 3.36Å; L294-S298 PolarHBondContact O-N 2.91Å; L294-S298 PolarHBondContact O-OG 3.47Å; L294-S298 VanDerWaalsContact O-OG 3.11Å
295	L	92.5	Very high	92.3	Very high	18 Å²	18	42 Å²	42	9%	0.094	26%	0.258	C	S	.	.	H	α-helix	trans	-66.3	-42	175.2	-70.4	173.9	0	0	0	111	L250 L254 V291 E292 E293 S298 G299 D300 L303 L309	L250-L295 HydrophobicContact CD2-CD2 3.69Å; L250-L295 HydrophobicContact CD2-CG 4.06Å; L254-L295 HydrophobicContact CD2-CD1 4.44Å; V291-L295 HydrophobicContact CG1-CD1 3.93Å; V291-L295 HydrophobicContact CG1-CG 4.26Å; V291-L295 VanDerWaalsContact O-CG 3.29Å; V291-L295 WeakPolarHBondContact O-CG 3.41Å; V291-L295 PolarHBondContact O-N 3.17Å; E292-L295 PolarHBondContact O-N 2.88Å; E293-L295 PolarHBondContact O-N 3.3Å; L295-S298 PolarHBondContact O-N 3.15Å; L295-S298 PolarHBondContact O-OG 2.66Å; L295-G299 PolarHBondContact O-N 2.72Å; L295-D300 HydrophobicContact CB-CB 4.16Å; L295-D300 HydrophobicContact CD2-CB 4.05Å; L295-D300 WeakPolarHBondContact O-CB 3.43Å; L295-D300 PolarHBondContact O-N 2.91Å; L295-L303 HydrophobicContact CB-CB 4.43Å; L295-L303 HydrophobicContact CB-CD1 4.37Å; L295-L303 HydrophobicContact CB-CD2 3.98Å; L295-L303 HydrophobicContact CD1-CD1 4.3Å; L295-L309 HydrophobicContact CD1-CD1 3.87Å
296	W	90.2	Very high	91.7	Very high	67 Å²	67	49 Å²	49	25%	0.254	29%	0.292	S	S	.	.	H	α-helix	trans	-64	-46.4	177	-178.8	81.7	0	0	0	112	E292 E293 S298 G299 L303 R395	E292-W296 WeakPolarHBondContact O-CB 3.17Å; E292-W296 PolarHBondContact O-N 2.98Å; E293-W296 PolarHBondContact O-N 2.73Å; W296-S298 VanDerWaalsContact C-N 3.26Å; W296-S298 PolarHBondContact O-N 2.65Å; W296-G299 PolarHBondContact O-N 3.33Å; W296-L303 HydrophobicContact CB-CD2 3.59Å; W296-L303 HydrophobicContact CG-CD2 4.48Å; W296-R395 HydrophobicContact CD2-CB 3.96Å; W296-R395 HydrophobicContact CG-CB 4.08Å; W296-R395 HydrophobicContact CG-CG 4.28Å; W296-R395 HydrophobicContact CZ2-CB 4.39Å
297	L	87.4	Confident	91.2	Very high	95 Å²	95	53.6 Å²	53.6	50%	0.497	32%	0.317	S	S	.	.	H	α-helix	trans	-62.2	-32.4	176.6	-72.7	172.9	0	0	0	112.8	E293 G299	E293-L297 HydrophobicContact CG-CD1 4.12Å; E293-L297 HydrophobicContact CG-CG 4.46Å; E293-L297 WeakPolarHBondContact O-CB 3.35Å; E293-L297 VanDerWaalsContact O-CG 3.31Å; E293-L297 WeakPolarHBondContact O-CG 3.4Å; E293-L297 PolarHBondContact O-N 2.86Å; L297-G299 VanDerWaalsContact C-N 3.25Å; L297-G299 PolarHBondContact O-N 3.15Å
298	S	89.4	Confident	90.9	Very high	83 Å²	83	55.6 Å²	55.6	58%	0.58	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-4.9	175.2	66.6	0	0	0	0	113.6	L294 L295 W296 D300	L294-S298 WeakPolarHBondContact O-CB 3.36Å; L294-S298 PolarHBondContact O-N 2.91Å; L294-S298 PolarHBondContact O-OG 3.47Å; L294-S298 VanDerWaalsContact O-OG 3.11Å; L295-S298 PolarHBondContact O-N 3.15Å; L295-S298 PolarHBondContact O-OG 2.66Å; W296-S298 VanDerWaalsContact C-N 3.26Å; W296-S298 PolarHBondContact O-N 2.65Å; S298-D300 VanDerWaalsContact C-N 3.33Å
299	G	91	Very high	90.8	Very high	58 Å²	58	58 Å²	58	60%	0.598	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.5	32.8	-178.2	0	0	0	0	0	112.8	L295 W296 L297 P301	L295-G299 PolarHBondContact O-N 2.72Å; W296-G299 PolarHBondContact O-N 3.33Å; L297-G299 VanDerWaalsContact C-N 3.25Å; L297-G299 PolarHBondContact O-N 3.15Å; G299-P301 WeakPolarHBondContact O-CD 3.44Å
300	D	92.4	Very high	91	Very high	62 Å²	62	58.5 Å²	58.5	33%	0.332	34%	0.343	S	S	.	.			trans	-63.2	118.2	-178.4	-166.8	-47.6	0	0	0	110.4	L295 S298 A302 L303	L295-D300 HydrophobicContact CB-CB 4.16Å; L295-D300 HydrophobicContact CD2-CB 4.05Å; L295-D300 WeakPolarHBondContact O-CB 3.43Å; L295-D300 PolarHBondContact O-N 2.91Å; S298-D300 VanDerWaalsContact C-N 3.33Å; D300-A302 PolarHBondContact O-N 2.67Å; D300-A302 VanDerWaalsContact OD1-CB 3.29Å; D300-A302 WeakPolarHBondContact OD1-CB 3.35Å; D300-A302 PolarHBondContact OD1-N 2.74Å; D300-L303 PolarHBondContact O-N 3.14Å
301	P	92.9	Very high	91.1	Very high	132 Å²	132	62 Å²	62	86%	0.857	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-11.1	-175.6	30.7	-37.2	0	0	0	113.8	G299	G299-P301 WeakPolarHBondContact O-CD 3.44Å
302	A	91.7	Very high	91.1	Very high	91 Å²	91	62.3 Å²	62.3	75%	0.752	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-14.2	177.1	0	0	0	0	0	113	D300 N304	D300-A302 PolarHBondContact O-N 2.67Å; D300-A302 VanDerWaalsContact OD1-CB 3.29Å; D300-A302 WeakPolarHBondContact OD1-CB 3.35Å; D300-A302 PolarHBondContact OD1-N 2.74Å; A302-N304 PolarHBondContact O-N 2.97Å
303	L	91.1	Very high	91.1	Very high	28 Å²	28	64.3 Å²	64.3	15%	0.147	38%	0.378	C	S	.	.			trans	-74.7	121.6	177.9	-173.3	69.2	0	0	0	110.3	E292 L295 W296 D300	E292-L303 HydrophobicContact CG-CD1 4.33Å; E292-L303 WeakPolarHBondContact O-CD2 3.45Å; L295-L303 HydrophobicContact CB-CB 4.43Å; L295-L303 HydrophobicContact CB-CD1 4.37Å; L295-L303 HydrophobicContact CB-CD2 3.98Å; L295-L303 HydrophobicContact CD1-CD1 4.3Å; W296-L303 HydrophobicContact CB-CD2 3.59Å; W296-L303 HydrophobicContact CG-CD2 4.48Å; D300-L303 PolarHBondContact O-N 3.14Å
304	N	88.8	Confident	91.3	Very high	71 Å²	71	62.5 Å²	62.5	38%	0.38	37%	0.371	S	S	.	.			trans	-97.9	137	171.4	-172.9	-15.3	0	0	0	109.4	A302 M306 D307 R395	A302-N304 PolarHBondContact O-N 2.97Å; N304-M306 PolarHBondContact O-N 3.14Å; N304-M306 PolarHBondContact OD1-N 3.37Å; N304-D307 HydrophobicContact CB-CB 4.03Å; N304-D307 WeakPolarHBondContact CB-OD2 3.08Å; N304-D307 VanDerWaalsContact CG-OD2 3.31Å; N304-D307 PolarHBondContact ND2-OD2 3.19Å; N304-R395 PolarHBondContact O-NH1 3.1Å
305	D	82.8	Confident	91.6	Very high	95 Å²	95	61.2 Å²	61.2	51%	0.508	36%	0.364	S	S	.	.	S	Bend	trans	-72.3	-17.2	177.8	-69.1	-31.7	0	0	0	113.5	P392 R395	D305-P392 WeakPolarHBondContact O-CG 2.89Å; D305-R395 IonicContact OD1-CZ 3.4Å; D305-R395 IonicContact OD1-NH1 2.69Å; D305-R395 PolarHBondContact OD1-NH1 3.04Å
306	M	84.1	Confident	91.8	Very high	148 Å²	148	60.4 Å²	60.4	73%	0.729	36%	0.36	S	S	*	.	S	Bend	trans	-99.8	-12.8	-179.1	-57.3	-56.3	-59.7	0	0	113.9	N304	N304-M306 PolarHBondContact O-N 3.14Å; N304-M306 PolarHBondContact OD1-N 3.37Å
307	D	87.7	Confident	92.1	Very high	96 Å²	96	57.6 Å²	57.6	51%	0.513	35%	0.35	S	S	.	.			trans	-104.6	148.5	-175.9	-61.1	-33.8	0	0	0	111.2	N304	N304-D307 HydrophobicContact CB-CB 4.03Å; N304-D307 WeakPolarHBondContact CB-OD2 3.08Å; N304-D307 VanDerWaalsContact CG-OD2 3.31Å; N304-D307 PolarHBondContact ND2-OD2 3.19Å
308	T	92.1	Very high	92.5	Very high	42 Å²	42	53.1 Å²	53.1	26%	0.258	33%	0.326	S	S	.	.			trans	-101.8	146	173.1	54.6	0	0	0	0	111.1	F310 P312 S391 P392	T308-F310 PolarHBondContact O-N 3.01Å; T308-F310 PolarHBondContact OG1-O 3.24Å; T308-P312 HydrophobicContact CG2-CG 3.71Å; T308-P312 WeakPolarHBondContact OG1-CD 3.2Å; T308-S391 VanDerWaalsContact CG2-C 3.48Å; T308-P392 HydrophobicContact CG2-CB 4.11Å; T308-P392 HydrophobicContact CG2-CG 4.35Å; T308-P392 VanDerWaalsContact CG2-N 3.3Å
309	L	95.3	Very high	92.8	Very high	50 Å²	50	49.1 Å²	49.1	26%	0.262	30%	0.298	S	S	.	.	S	Bend	trans	-79	1	177.7	-63.9	-176.5	0	0	0	114.4	L254 F288 V291 E292 L295	L254-L309 HydrophobicContact CD1-CB 4.16Å; L254-L309 HydrophobicContact CD1-CD1 3.87Å; L254-L309 HydrophobicContact CD2-CD1 4.24Å; F288-L309 HydrophobicContact CD1-CB 3.63Å; F288-L309 HydrophobicContact CE1-CB 4.31Å; F288-L309 WeakPolarHBondContact CE1-O 3.04Å; V291-L309 HydrophobicContact CG1-CD1 3.9Å; E292-L309 HydrophobicContact CG-CB 4.43Å; E292-L309 HydrophobicContact CG-CD1 3.52Å; E292-L309 HydrophobicContact CG-CG 3.72Å; E292-L309 PolarHBondContact OE1-N 3.48Å; E292-L309 VanDerWaalsContact OE1-N 3.11Å; L295-L309 HydrophobicContact CD1-CD1 3.87Å
310	F	96.7	Very high	93	Very high	15 Å²	15	46.4 Å²	46.4	7%	0.066	27%	0.27	C	S	.	.	S	Bend	trans	-138.1	-173.9	171.8	72.3	-69.1	0	0	0	109.6	F268 F288 T308 P312 L315 V387	F268-F310 HydrophobicContact CE2-CD2 4.16Å; F268-F310 HydrophobicContact CZ-CB 4.22Å; F268-F310 AromaticContact CZ-CD2 3.93Å; F268-F310 HydrophobicContact CZ-CD2 3.93Å; F268-F310 HydrophobicContact CZ-CG 4.4Å; F288-F310 HydrophobicContact CB-CD1 3.66Å; F288-F310 HydrophobicContact CB-CE1 4.04Å; F288-F310 HydrophobicContact CD1-CB 3.99Å; F288-F310 HydrophobicContact CD1-CD1 4.24Å; F288-F310 HydrophobicContact CD1-CG 4.49Å; F288-F310 HydrophobicContact CD2-CB 3.84Å; F288-F310 AromaticContact CD2-CD1 3.8Å; F288-F310 HydrophobicContact CD2-CD1 3.8Å; F288-F310 HydrophobicContact CD2-CE1 4.49Å; F288-F310 AromaticContact CD2-CG 3.82Å; F288-F310 HydrophobicContact CD2-CG 3.82Å; F288-F310 HydrophobicContact CE1-CB 3.79Å; F288-F310 HydrophobicContact CE2-CB 3.67Å; F288-F310 HydrophobicContact CE2-CD1 4.49Å; F288-F310 HydrophobicContact CE2-CG 4.08Å; F288-F310 HydrophobicContact CG-CB 3.99Å; F288-F310 AromaticContact CG-CD1 3.64Å; F288-F310 HydrophobicContact CG-CD1 3.64Å; F288-F310 HydrophobicContact CG-CE1 4.42Å; F288-F310 HydrophobicContact CG-CG 4.04Å; F288-F310 HydrophobicContact CZ-CB 3.63Å; F288-F310 HydrophobicContact CZ-CG 4.49Å; T308-F310 PolarHBondContact O-N 3.01Å; T308-F310 PolarHBondContact OG1-O 3.24Å; F310-P312 HydrophobicContact CE1-CG 4.17Å; F310-P312 HydrophobicContact CE2-CB 4.19Å; F310-P312 HydrophobicContact CE2-CG 4.09Å; F310-P312 HydrophobicContact CZ-CB 4.23Å; F310-P312 HydrophobicContact CZ-CG 3.89Å; F310-P312 WeakPolarHBondContact O-CD 3.34Å; F310-L315 HydrophobicContact CE2-CD2 4.08Å; F310-V387 HydrophobicContact CZ-CG1 4.48Å
311	N	95.8	Very high	93.1	Very high	78 Å²	78	43.5 Å²	43.5	42%	0.417	25%	0.254	S	S	.	.			trans	-105.4	91	175.5	-172.8	-28.8	0	0	0	111.2	Q261 S313 A314 L315	Q261-N311 PolarHBondContact NE2-O 3.05Å; N311-S313 PolarHBondContact O-N 2.92Å; N311-S313 PolarHBondContact OD1-N 3.4Å; N311-A314 HydrophobicContact CB-CB 4.13Å; N311-A314 VanDerWaalsContact CG-CB 3.49Å; N311-A314 PolarHBondContact O-N 3.32Å; N311-A314 WeakPolarHBondContact OD1-CB 3.38Å; N311-A314 PolarHBondContact OD1-N 3.05Å; N311-L315 PolarHBondContact O-N 2.93Å
312	P	95.7	Very high	93.1	Very high	7 Å²	7	37.4 Å²	37.4	5%	0.045	22%	0.215	C	C	.	.	H	α-helix	trans	-58.1	-45.6	178.8	-21.3	26.1	0	0	0	112.8	T308 F310 A314 L315 Q316 A388	T308-P312 HydrophobicContact CG2-CG 3.71Å; T308-P312 WeakPolarHBondContact OG1-CD 3.2Å; F310-P312 HydrophobicContact CE1-CG 4.17Å; F310-P312 HydrophobicContact CE2-CB 4.19Å; F310-P312 HydrophobicContact CE2-CG 4.09Å; F310-P312 HydrophobicContact CZ-CB 4.23Å; F310-P312 HydrophobicContact CZ-CG 3.89Å; F310-P312 WeakPolarHBondContact O-CD 3.34Å; P312-A314 VanDerWaalsContact C-N 3.31Å; P312-A314 PolarHBondContact O-N 3.32Å; P312-L315 WeakPolarHBondContact O-CB 3.48Å; P312-L315 PolarHBondContact O-N 3.48Å; P312-L315 VanDerWaalsContact O-N 3.08Å; P312-Q316 WeakPolarHBondContact O-CG 3.09Å; P312-Q316 PolarHBondContact O-N 3.02Å; P312-A388 HydrophobicContact CB-CB 4.05Å; P312-A388 WeakPolarHBondContact CB-O 3.25Å
313	S	94.1	Very high	93.3	Very high	43 Å²	43	33.1 Å²	33.1	30%	0.301	18%	0.179	S	C	.	.	H	α-helix	trans	-62.5	-38.6	-174.9	-31.5	0	0	0	0	111.6	N311 Q316 E317 D412	N311-S313 PolarHBondContact O-N 2.92Å; N311-S313 PolarHBondContact OD1-N 3.4Å; S313-Q316 PolarHBondContact O-N 3.39Å; S313-E317 WeakPolarHBondContact O-CG 3.42Å; S313-E317 PolarHBondContact O-N 2.89Å; S313-D412 PolarHBondContact OG-OD2 2.74Å
314	A	94.4	Very high	93.5	Very high	7 Å²	7	32 Å²	32	6%	0.058	17%	0.174	C	C	.	.	H	α-helix	trans	-67.9	-36.4	174.9	0	0	0	0	0	112.8	N311 P312 E317 Y318	N311-A314 HydrophobicContact CB-CB 4.13Å; N311-A314 VanDerWaalsContact CG-CB 3.49Å; N311-A314 PolarHBondContact O-N 3.32Å; N311-A314 WeakPolarHBondContact OD1-CB 3.38Å; N311-A314 PolarHBondContact OD1-N 3.05Å; P312-A314 VanDerWaalsContact C-N 3.31Å; P312-A314 PolarHBondContact O-N 3.32Å; A314-E317 PolarHBondContact O-N 3.08Å; A314-Y318 PolarHBondContact O-N 3.02Å
315	L	97.4	Very high	93.6	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-65.2	-43.4	173.9	-179	62.8	0	0	0	110.9	F268 F310 N311 P312 Y318 I319 A388	F268-L315 HydrophobicContact CD2-CD1 3.85Å; F268-L315 HydrophobicContact CD2-CD2 4.38Å; F268-L315 HydrophobicContact CE2-CD1 4.08Å; F268-L315 HydrophobicContact CE2-CD2 3.98Å; F268-L315 HydrophobicContact CE2-CG 4.46Å; F310-L315 HydrophobicContact CE2-CD2 4.08Å; N311-L315 PolarHBondContact O-N 2.93Å; P312-L315 WeakPolarHBondContact O-CB 3.48Å; P312-L315 PolarHBondContact O-N 3.48Å; P312-L315 VanDerWaalsContact O-N 3.08Å; L315-Y318 PolarHBondContact O-N 3.19Å; L315-I319 HydrophobicContact CD1-CD1 4.11Å; L315-I319 HydrophobicContact CD1-CG1 4.44Å; L315-I319 HydrophobicContact CG-CD1 3.95Å; L315-I319 WeakPolarHBondContact O-CG1 3.27Å; L315-I319 PolarHBondContact O-N 2.7Å; L315-A388 HydrophobicContact CD2-CB 4.1Å
316	Q	97.4	Very high	93.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-60.9	-45.9	175.5	-65.6	-174.2	64.3	0	0	111.5	P312 S313 Y318 I319 L320 L385 A388 D412 L414	P312-Q316 WeakPolarHBondContact O-CG 3.09Å; P312-Q316 PolarHBondContact O-N 3.02Å; S313-Q316 PolarHBondContact O-N 3.39Å; Q316-Y318 PolarHBondContact O-N 2.88Å; Q316-I319 PolarHBondContact O-N 2.97Å; Q316-L320 HydrophobicContact CB-CD1 4.41Å; Q316-L320 VanDerWaalsContact O-CB 3.31Å; Q316-L320 WeakPolarHBondContact O-CB 3.43Å; Q316-L320 WeakPolarHBondContact O-CD1 3.3Å; Q316-L320 WeakPolarHBondContact O-CG 3.36Å; Q316-L320 PolarHBondContact O-N 2.89Å; Q316-L385 HydrophobicContact CB-CD1 4.1Å; Q316-L385 HydrophobicContact CG-CD1 3.62Å; Q316-A388 HydrophobicContact CG-CB 3.8Å; Q316-D412 PolarHBondContact NE2-O 3.03Å; Q316-D412 PolarHBondContact OE1-O 3.48Å; Q316-L414 HydrophobicContact CB-CB 4.01Å; Q316-L414 HydrophobicContact CB-CD2 4.06Å
317	E	94.7	Very high	92.3	Very high	9 Å²	9	22.6 Å²	22.6	4%	0.042	13%	0.129	C	C	.	.	H	α-helix	trans	-55.7	-48.7	174.4	-77.6	-174.1	168.4	0	0	111.7	R3 R10 Y37 S313 A314 I319 L320 L321 L414	R3-E317 WeakPolarHBondContact CD-OE1 3.28Å; R3-E317 IonicContact CZ-OE1 3.88Å; R3-E317 IonicContact NE-OE1 3.56Å; R3-E317 IonicContact NH1-OE1 3.81Å; R3-E317 PolarHBondContact NH1-OE1 3.05Å; R10-E317 IonicContact CZ-OE2 2.71Å; R10-E317 IonicContact NH1-OE2 3.31Å; R10-E317 IonicContact NH2-OE2 3.53Å; R10-E317 PolarHBondContact NH2-OE2 2.69Å; R10-E317 VanDerWaalsContact NH2-OE2 3.09Å; Y37-E317 HydrophobicContact CE1-CB 4.41Å; Y37-E317 WeakPolarHBondContact OH-CB 3.23Å; S313-E317 WeakPolarHBondContact O-CG 3.42Å; S313-E317 PolarHBondContact O-N 2.89Å; A314-E317 PolarHBondContact O-N 3.08Å; E317-I319 PolarHBondContact O-N 3.06Å; E317-L320 PolarHBondContact O-N 3.07Å; E317-L321 HydrophobicContact CB-CD1 4.43Å; E317-L321 WeakPolarHBondContact O-CB 3.43Å; E317-L321 WeakPolarHBondContact O-CG 3.47Å; E317-L321 PolarHBondContact O-N 3.25Å; E317-L414 HydrophobicContact CB-CD2 4.3Å; E317-L414 HydrophobicContact CG-CD2 3.48Å; E317-L414 VanDerWaalsContact CG-CD2 3.48Å
318	Y	95.9	Very high	90.7	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-56.9	-50.5	178.7	177.7	-112.3	0	0	0	111.6	V33 E265 G267 V276 A314 L315 Q316 C322 C323 D367	V33-Y318 HydrophobicContact CG2-CE2 4.27Å; E265-Y318 HydrophobicContact CB-CD2 4.16Å; E265-Y318 HydrophobicContact CB-CE2 4.28Å; E265-Y318 WeakPolarHBondContact O-CB 3.48Å; E265-Y318 WeakPolarHBondContact O-CD2 3.45Å; G267-Y318 VanDerWaalsContact CA-CD1 3.5Å; V276-Y318 HydrophobicContact CG1-CE2 4.02Å; V276-Y318 HydrophobicContact CG2-CD1 4.4Å; V276-Y318 HydrophobicContact CG2-CE1 3.8Å; V276-Y318 HydrophobicContact CG2-CE2 3.92Å; A314-Y318 PolarHBondContact O-N 3.02Å; L315-Y318 PolarHBondContact O-N 3.19Å; Q316-Y318 PolarHBondContact O-N 2.88Å; Y318-C322 HydrophobicContact CD2-CB 4.01Å; Y318-C322 HydrophobicContact CE2-CB 3.97Å; Y318-C322 WeakPolarHBondContact O-CA 3.48Å; Y318-C322 WeakPolarHBondContact O-CB 3.27Å; Y318-C322 PolarHBondContact O-N 3.49Å; Y318-C323 WeakPolarHBondContact CE1-SG 3.48Å; Y318-C323 VanDerWaalsContact CZ-SG 3.55Å; Y318-D367 PolarHBondContact OH-O 3.33Å
319	I	97.2	Very high	88.8	Confident	0 Å²	0	25 Å²	25	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-64.5	-48.9	-177.4	-64.9	166.6	0	0	0	110.6	L315 Q316 E317 C323 L365 L385	L315-I319 HydrophobicContact CD1-CD1 4.11Å; L315-I319 HydrophobicContact CD1-CG1 4.44Å; L315-I319 HydrophobicContact CG-CD1 3.95Å; L315-I319 WeakPolarHBondContact O-CG1 3.27Å; L315-I319 PolarHBondContact O-N 2.7Å; Q316-I319 PolarHBondContact O-N 2.97Å; E317-I319 PolarHBondContact O-N 3.06Å; I319-C323 WeakPolarHBondContact O-CB 3.46Å; I319-C323 PolarHBondContact O-N 3.43Å; I319-C323 VanDerWaalsContact O-N 3.08Å; I319-L365 HydrophobicContact CG2-CD2 3.7Å; I319-L385 HydrophobicContact CD1-CB 3.94Å; I319-L385 HydrophobicContact CG2-CB 4.49Å; I319-L385 HydrophobicContact CG2-CD2 4.26Å
320	L	95.3	Very high	86	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-68.7	-43	-175.6	-65.1	168.2	0	0	0	111.3	K40 L49 L51 Q316 E317 Q324 L385 L414	K40-L320 PolarHBondContact NZ-O 2.9Å; L49-L320 HydrophobicContact CD2-CB 4.43Å; L49-L320 WeakPolarHBondContact O-CD1 3.36Å; L51-L320 HydrophobicContact CB-CD2 3.85Å; L51-L320 HydrophobicContact CD1-CD2 4.21Å; Q316-L320 HydrophobicContact CB-CD1 4.41Å; Q316-L320 VanDerWaalsContact O-CB 3.31Å; Q316-L320 WeakPolarHBondContact O-CB 3.43Å; Q316-L320 WeakPolarHBondContact O-CD1 3.3Å; Q316-L320 WeakPolarHBondContact O-CG 3.36Å; Q316-L320 PolarHBondContact O-N 2.89Å; E317-L320 PolarHBondContact O-N 3.07Å; L320-Q324 PolarHBondContact O-NE2 3.39Å; L320-L385 HydrophobicContact CD2-CD2 4.22Å; L320-L414 HydrophobicContact CD1-CB 4.27Å; L320-L414 HydrophobicContact CD1-CD2 4.21Å; L320-L414 HydrophobicContact CD1-CG 4.44Å
321	L	93.3	Very high	83	Confident	1 Å²	1	36.4 Å²	36.4	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-83.6	-35.2	-175.9	-62.7	173.6	0	0	0	113.1	Y37 K40 L41 A48 L49 E317	Y37-L321 HydrophobicContact CD1-CD1 3.51Å; Y37-L321 HydrophobicContact CD2-CB 4.31Å; Y37-L321 HydrophobicContact CE1-CD1 3.46Å; Y37-L321 VanDerWaalsContact CE1-CD1 3.46Å; Y37-L321 HydrophobicContact CE2-CB 4.36Å; Y37-L321 HydrophobicContact CG-CB 4.47Å; Y37-L321 HydrophobicContact CG-CD1 4.08Å; K40-L321 HydrophobicContact CB-CD2 4.03Å; K40-L321 HydrophobicContact CD-CD2 4.46Å; K40-L321 WeakPolarHBondContact CD-O 3.49Å; K40-L321 WeakPolarHBondContact CE-O 3.38Å; K40-L321 PolarHBondContact NZ-O 2.97Å; L41-L321 HydrophobicContact CD1-CD1 4.46Å; L41-L321 HydrophobicContact CD2-CD1 4.42Å; L41-L321 HydrophobicContact CD2-CD2 4.2Å; L41-L321 HydrophobicContact CG-CD1 4.44Å; L41-L321 HydrophobicContact CG-CD2 4.33Å; A48-L321 HydrophobicContact CB-CD2 4.17Å; A48-L321 WeakPolarHBondContact O-CD2 3.22Å; L49-L321 HydrophobicContact CD2-CD1 4.09Å; L49-L321 HydrophobicContact CD2-CD2 3.89Å; L49-L321 HydrophobicContact CD2-CG 3.87Å; E317-L321 HydrophobicContact CB-CD1 4.43Å; E317-L321 WeakPolarHBondContact O-CB 3.43Å; E317-L321 WeakPolarHBondContact O-CG 3.47Å; E317-L321 PolarHBondContact O-N 3.25Å
322	C	94.2	Very high	80.1	Confident	5 Å²	5	33.8 Å²	33.8	3%	0.034	18%	0.175	C	C	.	.	H	α-helix	trans	-110.6	-27.6	-169.4	-58.3	0	0	0	0	115	Y37 Y318 P369	Y37-C322 WeakPolarHBondContact CD2-SG 3.46Å; Y37-C322 WeakPolarHBondContact CE2-SG 3.19Å; Y318-C322 HydrophobicContact CD2-CB 4.01Å; Y318-C322 HydrophobicContact CE2-CB 3.97Å; Y318-C322 WeakPolarHBondContact O-CA 3.48Å; Y318-C322 WeakPolarHBondContact O-CB 3.27Å; Y318-C322 PolarHBondContact O-N 3.49Å; C322-P369 HydrophobicContact CB-CG 3.78Å
323	C	95.9	Very high	77.4	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.183	C	C	.	.	S	Bend	trans	-104.7	-4.6	-165.7	-58.4	0	0	0	0	114.5	S278 Y318 I319 L365 I366	S278-C323 VanDerWaalsContact CB-SG 3.6Å; Y318-C323 WeakPolarHBondContact CE1-SG 3.48Å; Y318-C323 VanDerWaalsContact CZ-SG 3.55Å; I319-C323 WeakPolarHBondContact O-CB 3.46Å; I319-C323 PolarHBondContact O-N 3.43Å; I319-C323 VanDerWaalsContact O-N 3.08Å; C323-L365 CarbonylContact O-C 3.35Å; C323-L365 WeakPolarHBondContact O-CA 3.37Å; C323-L365 VanDerWaalsContact O-CB 3.29Å; C323-L365 WeakPolarHBondContact O-CB 3.41Å; C323-I366 PolarHBondContact O-N 2.83Å
324	Q	94.4	Very high	74.5	Confident	6 Å²	6	37.5 Å²	37.5	3%	0.028	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-89.4	126.6	177.4	-55.8	-177.2	83.3	0	0	111.6	R50 H56 L320 L365	R50-Q324 PolarHBondContact O-NE2 3.31Å; R50-Q324 PolarHBondContact O-OE1 3.4Å; H56-Q324 PolarHBondContact NE2-OE1 2.8Å; L320-Q324 PolarHBondContact O-NE2 3.39Å; Q324-L365 HydrophobicContact CG-CD2 4.43Å
325	K	90.1	Very high	71.4	Confident	46 Å²	46	43 Å²	43	20%	0.2	23%	0.23	C	C	.	.			trans	-97.1	105.2	171.3	-169.8	75.5	174.1	-173.8	0	109.8	G363 G364 I366 P373	K325-G363 CarbonylContact O-C 3.52Å; K325-G363 WeakPolarHBondContact O-CA 3.2Å; K325-G363 PolarHBondContact O-N 2.62Å; K325-G364 PolarHBondContact N-O 2.78Å; K325-G364 VanDerWaalsContact N-O 3.13Å; K325-I366 HydrophobicContact CB-CG2 4.09Å; K325-P373 HydrophobicContact CB-CB 4.18Å; K325-P373 HydrophobicContact CB-CG 4.14Å; K325-P373 HydrophobicContact CG-CG 4.04Å
326	V	79.2	Confident	68.1	Low	3 Å²	3	51.4 Å²	51.4	2%	0.018	27%	0.27	C	S	.	.			trans	-138.1	144.2	175.3	-67.7	0	0	0	0	111.3	W44 F52 N55 Y328 T329 D362	W44-V326 HydrophobicContact CH2-CG2 3.43Å; W44-V326 VanDerWaalsContact CH2-CG2 3.43Å; W44-V326 HydrophobicContact CZ2-CG2 4.09Å; W44-V326 HydrophobicContact CZ3-CG2 4.42Å; F52-V326 HydrophobicContact CB-CG1 3.67Å; F52-V326 HydrophobicContact CD1-CG1 4.42Å; F52-V326 HydrophobicContact CD1-CG2 4.39Å; F52-V326 HydrophobicContact CD2-CG1 4.41Å; F52-V326 HydrophobicContact CD2-CG2 4.12Å; F52-V326 HydrophobicContact CE2-CG2 4.39Å; F52-V326 HydrophobicContact CG-CB 4.49Å; F52-V326 HydrophobicContact CG-CG1 3.91Å; F52-V326 HydrophobicContact CG-CG2 4.16Å; N55-V326 HydrophobicContact CB-CG1 3.85Å; V326-Y328 PolarHBondContact O-N 3.11Å; V326-T329 HydrophobicContact CG2-CG2 4.24Å; V326-T329 WeakPolarHBondContact O-CB 3.38Å; V326-T329 PolarHBondContact O-N 3.22Å; V326-T329 PolarHBondContact O-OG1 3.36Å; V326-D362 VanDerWaalsContact CA-OD1 3.23Å; V326-D362 WeakPolarHBondContact CA-OD1 3.31Å
327	S	60.9	Low	64.8	Low	66 Å²	66	55.8 Å²	55.8	46%	0.462	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-15.2	-168.7	-61.9	0	0	0	0	115.2	T329 D362	S327-T329 PolarHBondContact O-N 2.89Å; S327-D362 PolarHBondContact N-OD1 2.93Å; S327-D362 WeakPolarHBondContact OG-CB 3.41Å; S327-D362 PolarHBondContact OG-OD1 2.74Å
328	Y	55.1	Low	61.6	Low	161 Å²	161	62.1 Å²	62.1	63%	0.631	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-8	171.3	-59.2	-76.9	0	0	0	113.4	W44 V326	W44-Y328 PolarHBondContact NE1-O 3.21Å; V326-Y328 PolarHBondContact O-N 3.11Å
329	T	51.1	Low	58.4	Low	28 Å²	28	69.8 Å²	69.8	17%	0.172	38%	0.381	C	S	.	.	S	Bend	trans	-84	119.2	164.8	61.7	0	0	0	0	107.4	W44 V326 S327	W44-T329 HydrophobicContact CH2-CG2 3.72Å; W44-T329 HydrophobicContact CZ2-CG2 3.67Å; V326-T329 HydrophobicContact CG2-CG2 4.24Å; V326-T329 WeakPolarHBondContact O-CB 3.38Å; V326-T329 PolarHBondContact O-N 3.22Å; V326-T329 PolarHBondContact O-OG1 3.36Å; S327-T329 PolarHBondContact O-N 2.89Å
330	R	37.7	Very low	55.2	Low	194 Å²	194	74.5 Å²	74.5	73%	0.732	41%	0.414	S	S	*	.			trans	-46.1	142.1	179.8	-87.1	-173.4	177.1	-176.3	0.2	110.5	G332	R330-G332 VanDerWaalsContact C-N 3.33Å; R330-G332 PolarHBondContact O-N 2.76Å
331	P	32.7	Very low	52.2	Low	111 Å²	111	79.1 Å²	79.1	72%	0.721	45%	0.446	S	S	*	.	S	Bend	trans	-59.7	96.5	168.2	-12.9	25.5	0	0	0	108.7
332	G	34.9	Very low	49.1	Very low	22 Å²	22	82.9 Å²	82.9	23%	0.227	49%	0.485	C	S	.	.			trans	-163.7	0.4	-171.1	0	0	0	0	0	115.7	R330	R330-G332 VanDerWaalsContact C-N 3.33Å; R330-G332 PolarHBondContact O-N 2.76Å
333	L	40.6	Very low	46.1	Very low	40 Å²	40	91 Å²	91	21%	0.209	52%	0.522	C	S	.	.	S	Bend	trans	-101.2	13	164.5	-78.3	158.3	0	0	0	111.9	L32 P369 G370	L32-L333 HydrophobicContact CD2-CD2 4.38Å; L333-P369 HydrophobicContact CD1-CB 4.1Å; L333-P369 HydrophobicContact CD2-CB 3.58Å; L333-G370 WeakPolarHBondContact O-CA 3.49Å
334	S	33.2	Very low	42.9	Very low	89 Å²	89	101 Å²	101	62%	0.622	57%	0.566	S	S	*	*			trans	-109.6	76.4	166.4	54.6	0	0	0	0	108.2
335	V	28.6	Very low	39.9	Very low	121 Å²	121	108.1 Å²	108.1	73%	0.733	60%	0.603	S	S	*	*			trans	-114.1	112.6	168.3	-174.9	0	0	0	0	106.7	A337	V335-A337 PolarHBondContact O-N 3.14Å
336	H	27.4	Very low	37.1	Very low	178 Å²	178	110.4 Å²	110.4	82%	0.824	63%	0.625	S	S	*	*			trans	-54.2	127.3	164.5	-79.6	-90	0	0	0	108.6	D338	H336-D338 PolarHBondContact O-N 3.25Å
337	A	28.7	Very low	34.7	Very low	92 Å²	92	115.9 Å²	115.9	76%	0.76	66%	0.663	S	S	*	*	S	Bend	trans	-61.3	124.7	162.5	0	0	0	0	0	108.4	V335	V335-A337 PolarHBondContact O-N 3.14Å
338	D	27.7	Very low	33.2	Very low	141 Å²	141	117.4 Å²	117.4	75%	0.754	67%	0.674	S	S	*	*			trans	37.3	89.2	155.2	-60	-26.4	0	0	0	118.3	H336 S340	H336-D338 PolarHBondContact O-N 3.25Å; D338-S340 PolarHBondContact O-N 3.02Å
339	D	28.9	Very low	32	Very low	161 Å²	161	117.6 Å²	117.6	86%	0.861	69%	0.686	S	S	*	*			trans	-86.6	73.7	145.5	-89.9	-24.7	0	0	0	108.8	S341	D339-S341 VanDerWaalsContact C-N 3.34Å; D339-S341 PolarHBondContact O-N 2.73Å
340	S	29.1	Very low	31	Very low	100 Å²	100	125.6 Å²	125.6	70%	0.699	72%	0.719	S	S	*	*			trans	-90	73.8	157	59.7	0	0	0	0	108.8	D338	D338-S340 PolarHBondContact O-N 3.02Å
341	S	32.8	Very low	30.5	Very low	96 Å²	96	123.7 Å²	123.7	67%	0.671	72%	0.723	S	S	*	*			trans	-147.9	107.9	155.1	60.2	0	0	0	0	108.6	D339	D339-S341 VanDerWaalsContact C-N 3.34Å; D339-S341 PolarHBondContact O-N 2.73Å
342	G	27.4	Very low	30.3	Very low	80 Å²	80	128.4 Å²	128.4	83%	0.825	73%	0.732	S	S	*	*			trans	-74	127.3	175.1	0	0	0	0	0	109.7
343	E	32.2	Very low	30.1	Very low	175 Å²	175	132 Å²	132	82%	0.818	76%	0.76	S	S	*	*			trans	-151.2	125.4	143.9	-117	175.3	-166.6	0	0	110.8	L345	E343-L345 PolarHBondContact O-N 2.9Å
344	K	28.6	Very low	29.5	Very low	211 Å²	211	134.6 Å²	134.6	92%	0.917	78%	0.781	S	S	*	*			trans	-63.5	115.9	174	-72.2	171.1	175.2	173.3	0	108.4
345	L	31.4	Very low	29.3	Very low	155 Å²	155	139.3 Å²	139.3	81%	0.812	79%	0.794	S	S	*	*			trans	-130.7	136.9	159.5	-101.3	121	0	0	0	112.5	E343	E343-L345 PolarHBondContact O-N 2.9Å
346	S	30.2	Very low	29.4	Very low	95 Å²	95	143.7 Å²	143.7	66%	0.664	80%	0.799	S	S	*	*			trans	-70.5	155.8	-163.3	49.2	0	0	0	0	114.9	S348	S346-S348 PolarHBondContact O-N 3.48Å
347	S	29.4	Very low	29.6	Very low	117 Å²	117	139.1 Å²	139.1	82%	0.818	78%	0.78	S	S	*	*	S	Bend	trans	-34.1	96.2	161.7	54.8	0	0	0	0	116.1
348	S	30.1	Very low	29.9	Very low	98 Å²	98	140 Å²	140	69%	0.685	78%	0.776	S	S	*	*			trans	170	83.8	146.6	44.5	0	0	0	0	110.9	S346	S346-S348 PolarHBondContact O-N 3.48Å
349	N	28.8	Very low	30.4	Very low	166 Å²	166	137.5 Å²	137.5	89%	0.888	77%	0.769	S	S	*	*			trans	-177.9	68	150.3	-91.8	-18.4	0	0	0	109.5	N351	N349-N351 PolarHBondContact O-N 3.15Å
350	K	30	Very low	31.1	Very low	195 Å²	195	132.7 Å²	132.7	85%	0.848	75%	0.746	S	S	*	*			trans	-74	102.8	155.9	-73.4	179.9	176.8	-179.5	0	105.4
351	N	28.5	Very low	32.3	Very low	154 Å²	154	130.8 Å²	130.8	82%	0.824	73%	0.732	S	S	*	*			trans	157.2	64.7	157.5	-77.3	-12.4	0	0	0	110.1	N349	N349-N351 PolarHBondContact O-N 3.15Å
352	F	28.8	Very low	34.5	Very low	210 Å²	210	128.6 Å²	128.6	92%	0.921	71%	0.713	S	S	*	*			trans	-168	53.8	157.8	-126	-87.3	0	0	0	110.1
353	A	29	Very low	37.6	Very low	97 Å²	97	124.8 Å²	124.8	80%	0.802	67%	0.674	S	S	*	*			trans	-113.5	86.2	162.5	0	0	0	0	0	105.5	E355	A353-E355 PolarHBondContact O-N 3.27Å
354	S	29.4	Very low	40.6	Very low	95 Å²	95	116.5 Å²	116.5	66%	0.664	64%	0.635	S	S	*	*			trans	-57.3	122.5	170.7	52.9	0	0	0	0	108.3	Y356	S354-Y356 PolarHBondContact O-N 3.08Å
355	E	28.7	Very low	43.9	Very low	188 Å²	188	106.4 Å²	106.4	88%	0.879	59%	0.591	S	S	*	*			trans	-42.4	102	172.2	-69.1	163.1	141.3	0	0	111.3	A353 D357	A353-E355 PolarHBondContact O-N 3.27Å; E355-D357 VanDerWaalsContact C-N 3.26Å; E355-D357 PolarHBondContact O-N 2.8Å; E355-D357 VanDerWaalsContact O-N 3.08Å
356	Y	31.3	Very low	47	Very low	214 Å²	214	99.2 Å²	99.2	84%	0.839	55%	0.553	S	S	*	*			trans	-73.6	93.3	154.8	-107.6	-91.3	0	0	0	106.1	S354 V358	S354-Y356 PolarHBondContact O-N 3.08Å; Y356-V358 PolarHBondContact O-N 3.35Å
357	D	31.3	Very low	50.2	Low	82 Å²	82	95.8 Å²	95.8	44%	0.439	53%	0.527	S	S	.	.			trans	-62.6	98.7	177.8	-178.1	7.2	0	0	0	109.9	E355 S359 T360	E355-D357 VanDerWaalsContact C-N 3.26Å; E355-D357 PolarHBondContact O-N 2.8Å; E355-D357 VanDerWaalsContact O-N 3.08Å; D357-S359 PolarHBondContact O-N 3.37Å; D357-S359 WeakPolarHBondContact OD1-CB 3.16Å; D357-S359 PolarHBondContact OD1-N 3.03Å; D357-S359 PolarHBondContact OD1-OG 2.96Å; D357-S359 PolarHBondContact OD2-OG 2.93Å; D357-T360 HydrophobicContact CB-CG2 3.92Å; D357-T360 PolarHBondContact O-N 3.27Å; D357-T360 PolarHBondContact O-OG1 3.49Å; D357-T360 WeakPolarHBondContact OD2-CG2 3.32Å
358	V	34.2	Very low	53.3	Low	110 Å²	110	91 Å²	91	67%	0.667	49%	0.492	S	S	*	.	G	3₁₀ helix	trans	-58.3	-14	177.4	-177.1	0	0	0	0	111.5	Y356 T360	Y356-V358 PolarHBondContact O-N 3.35Å; V358-T360 VanDerWaalsContact C-N 3.33Å
359	S	37.5	Very low	56.4	Low	88 Å²	88	86.5 Å²	86.5	62%	0.615	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-78.5	-10.3	174.4	84.7	0	0	0	0	114.5	D357	D357-S359 PolarHBondContact O-N 3.37Å; D357-S359 WeakPolarHBondContact OD1-CB 3.16Å; D357-S359 PolarHBondContact OD1-N 3.03Å; D357-S359 PolarHBondContact OD1-OG 2.96Å; D357-S359 PolarHBondContact OD2-OG 2.93Å
360	T	44.9	Very low	59.2	Low	61 Å²	61	80.4 Å²	80.4	37%	0.374	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-88.2	-9.2	-174	58.8	0	0	0	0	115.7	D357 V358	D357-T360 HydrophobicContact CB-CG2 3.92Å; D357-T360 PolarHBondContact O-N 3.27Å; D357-T360 PolarHBondContact O-OG1 3.49Å; D357-T360 WeakPolarHBondContact OD2-CG2 3.32Å; V358-T360 VanDerWaalsContact C-N 3.33Å
361	C	53.7	Low	62.2	Low	59 Å²	59	76.2 Å²	76.2	40%	0.399	42%	0.418	S	S	.	.			trans	-113.9	22.9	-165.3	-73.5	0	0	0	0	115.2
362	D	79.5	Confident	65.3	Low	51 Å²	51	75 Å²	75	27%	0.273	41%	0.412	S	S	.	.			trans	-85	125.4	178	-159.8	14.7	0	0	0	111.2	N55 V326 S327	N55-D362 PolarHBondContact ND2-OD1 3.37Å; N55-D362 PolarHBondContact ND2-OD2 3.44Å; V326-D362 VanDerWaalsContact CA-OD1 3.23Å; V326-D362 WeakPolarHBondContact CA-OD1 3.31Å; S327-D362 PolarHBondContact N-OD1 2.93Å; S327-D362 WeakPolarHBondContact OG-CB 3.41Å; S327-D362 PolarHBondContact OG-OD1 2.74Å
363	G	92.1	Very high	68.4	Low	0 Å²	0	65.8 Å²	65.8	0%	0	37%	0.373	C	S	.	.	S	Bend	trans	96.9	180	-177.7	0	0	0	0	0	115.3	Y59 K325	Y59-G363 WeakPolarHBondContact CD2-O 3.19Å; K325-G363 CarbonylContact O-C 3.52Å; K325-G363 WeakPolarHBondContact O-CA 3.2Å; K325-G363 PolarHBondContact O-N 2.62Å
364	G	95.4	Very high	71.5	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	35%	0.347	C	S	.	.			trans	77.8	164	-167.6	0	0	0	0	0	114.5	H56 K325 T378	H56-G364 PolarHBondContact CE1-O 3.29Å; H56-G364 PolarHBondContact ND1-N 3.08Å; H56-G364 VanDerWaalsContact ND1-N 3.16Å; H56-G364 PolarHBondContact ND1-O 3.31Å; K325-G364 PolarHBondContact N-O 2.78Å; K325-G364 VanDerWaalsContact N-O 3.13Å; G364-T378 WeakPolarHBondContact CA-OG1 3.44Å
365	L	97	Very high	74.7	Confident	0 Å²	0	59 Å²	59	0%	0	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-115.3	159	172.6	-62.3	81.7	0	0	0	110.8	I319 C323 Q324 P373 T378 S381 L382	I319-L365 HydrophobicContact CG2-CD2 3.7Å; C323-L365 CarbonylContact O-C 3.35Å; C323-L365 WeakPolarHBondContact O-CA 3.37Å; C323-L365 VanDerWaalsContact O-CB 3.29Å; C323-L365 WeakPolarHBondContact O-CB 3.41Å; Q324-L365 HydrophobicContact CG-CD2 4.43Å; L365-P373 WeakPolarHBondContact O-CA 3.5Å; L365-T378 HydrophobicContact CD1-CG2 3.84Å; L365-T378 PolarHBondContact N-OG1 2.63Å; L365-S381 VanDerWaalsContact CD2-CB 3.4Å; L365-L382 HydrophobicContact CD1-CD1 4.37Å; L365-L382 HydrophobicContact CD1-CD2 4.26Å; L365-L382 HydrophobicContact CD1-CG 4.08Å
366	I	96.8	Very high	78	Confident	4 Å²	4	52.9 Å²	52.9	2%	0.021	29%	0.285	C	S	.	.			trans	-123.5	158.4	-171.7	69.9	-174.4	0	0	0	110.6	S278 C323 K325 K368 K371 P373	S278-I366 VanDerWaalsContact CB-O 3.32Å; S278-I366 WeakPolarHBondContact CB-O 3.31Å; S278-I366 PolarHBondContact OG-O 3.18Å; C323-I366 PolarHBondContact O-N 2.83Å; K325-I366 HydrophobicContact CB-CG2 4.09Å; I366-K368 WeakPolarHBondContact CD1-O 3.38Å; I366-K368 WeakPolarHBondContact CG1-O 3.41Å; I366-K371 HydrophobicContact CB-CB 4.39Å; I366-P373 HydrophobicContact CG2-CB 3.98Å
367	D	97.3	Very high	81.2	Confident	22 Å²	22	43.8 Å²	43.8	12%	0.118	25%	0.25	C	S	.	.	S	Bend	trans	-46.7	-65.2	167.9	166	2.4	0	0	0	111.6	D277 S278 Y318 K371 H377	D277-D367 VanDerWaalsContact CA-OD1 3.23Å; D277-D367 WeakPolarHBondContact CA-OD1 3.25Å; D277-D367 WeakPolarHBondContact CB-OD1 3.12Å; S278-D367 VanDerWaalsContact CB-O 3.23Å; S278-D367 WeakPolarHBondContact CB-O 3.17Å; S278-D367 PolarHBondContact N-O 2.82Å; S278-D367 WeakPolarHBondContact OG-CA 3.42Å; S278-D367 PolarHBondContact OG-O 2.8Å; Y318-D367 PolarHBondContact OH-O 3.33Å; D367-K371 HydrophobicContact CB-CB 4.25Å; D367-K371 HydrophobicContact CB-CG 4.05Å; D367-H377 VanDerWaalsContact CA-CD2 3.43Å; D367-H377 WeakPolarHBondContact CA-CD2 3.32Å; D367-H377 WeakPolarHBondContact CB-NE2 3.45Å; D367-H377 PolarHBondContact N-CD2 2.87Å
368	K	95.7	Very high	84.4	Confident	18 Å²	18	39.9 Å²	39.9	8%	0.078	23%	0.229	C	C	.	.	S	Bend	trans	-154.7	166.6	-177.8	66.9	173.8	57.7	52.3	0	109.7	T29 V276 I366 G370 K371	T29-K368 HydrophobicContact CG2-CD 4.2Å; V276-K368 WeakPolarHBondContact O-CE 3.29Å; V276-K368 PolarHBondContact O-NZ 3.45Å; I366-K368 WeakPolarHBondContact CD1-O 3.38Å; I366-K368 WeakPolarHBondContact CG1-O 3.41Å; K368-G370 PolarHBondContact O-N 3.28Å; K368-K371 HydrophobicContact CG-CG 3.9Å; K368-K371 WeakPolarHBondContact O-CB 3.2Å; K368-K371 WeakPolarHBondContact O-CG 3.41Å; K368-K371 PolarHBondContact O-N 3.07Å
369	P	93.7	Very high	87.5	Confident	3 Å²	3	34.6 Å²	34.6	2%	0.019	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.6	131.8	174.6	-27	35.8	0	0	0	111.9	L32 V33 A36 C322 L333	L32-P369 HydrophobicContact CB-CB 4.31Å; V33-P369 HydrophobicContact CG2-CG 4.29Å; A36-P369 HydrophobicContact CB-CB 4.25Å; A36-P369 HydrophobicContact CB-CG 3.78Å; C322-P369 HydrophobicContact CB-CG 3.78Å; L333-P369 HydrophobicContact CD1-CB 4.1Å; L333-P369 HydrophobicContact CD2-CB 3.58Å
370	G	88.8	Confident	90.4	Very high	38 Å²	38	30.5 Å²	30.5	39%	0.392	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	101.5	-6.4	-178.8	0	0	0	0	0	114	L333 K368	L333-G370 WeakPolarHBondContact O-CA 3.49Å; K368-G370 PolarHBondContact O-N 3.28Å
371	K	93.1	Very high	93	Very high	106 Å²	106	27.6 Å²	27.6	46%	0.461	15%	0.151	S	C	.	.	S	Bend	trans	-100.8	164.8	177.6	-54.9	-58.7	-174.5	-177.7	0	112.1	I366 D367 K368	I366-K371 HydrophobicContact CB-CB 4.39Å; D367-K371 HydrophobicContact CB-CB 4.25Å; D367-K371 HydrophobicContact CB-CG 4.05Å; K368-K371 HydrophobicContact CG-CG 3.9Å; K368-K371 WeakPolarHBondContact O-CB 3.2Å; K368-K371 WeakPolarHBondContact O-CG 3.41Å; K368-K371 PolarHBondContact O-N 3.07Å
372	N	92.3	Very high	95.1	Very high	130 Å²	130	24.8 Å²	24.8	70%	0.695	13%	0.132	S	C	*	.	P	Polyproline II helix	trans	-91.8	151	178.2	-70.5	-38.6	0	0	0	111.2
373	P	94	Very high	96	Very high	16 Å²	16	22.4 Å²	22.4	10%	0.104	12%	0.119	C	C	.	.	P	Polyproline II helix	trans	-76.2	134.9	177.4	31	-35.3	0	0	0	112	Y59 K325 L365 I366	Y59-P373 HydrophobicContact CE2-CB 4.04Å; Y59-P373 HydrophobicContact CE2-CG 4.11Å; Y59-P373 VanDerWaalsContact OH-C 3.25Å; Y59-P373 PolarHBondContact OH-O 2.93Å; K325-P373 HydrophobicContact CB-CB 4.18Å; K325-P373 HydrophobicContact CB-CG 4.14Å; K325-P373 HydrophobicContact CG-CG 4.04Å; L365-P373 WeakPolarHBondContact O-CA 3.5Å; I366-P373 HydrophobicContact CG2-CB 3.98Å
374	D	95.1	Very high	96.3	Very high	46 Å²	46	22.4 Å²	22.4	25%	0.246	12%	0.119	C	C	.	.	B	Isolated β-bridge	trans	-134.7	164.9	173	60.8	60.6	0	0	0	110.9	Y59 Y376 H377 T378	Y59-D374 VanDerWaalsContact OH-C 3.23Å; Y59-D374 WeakPolarHBondContact OH-CA 3.42Å; Y59-D374 PolarHBondContact OH-N 3.08Å; D374-Y376 VanDerWaalsContact C-N 3.28Å; D374-Y376 PolarHBondContact O-N 3.47Å; D374-Y376 WeakPolarHBondContact OD1-CB 3.11Å; D374-Y376 PolarHBondContact OD1-N 2.84Å; D374-Y376 VanDerWaalsContact OD1-N 3.14Å; D374-H377 IonicContact OD1-CG 3.55Å; D374-H377 PolarHBondContact OD1-N 3.41Å; D374-H377 IonicContact OD1-ND1 2.93Å; D374-H377 PolarHBondContact OD1-ND1 3.47Å; D374-H377 IonicContact OD2-CE1 3.94Å; D374-H377 IonicContact OD2-CG 3.47Å; D374-H377 IonicContact OD2-ND1 2.82Å; D374-H377 PolarHBondContact OD2-ND1 3.36Å; D374-T378 WeakPolarHBondContact O-CB 3.08Å; D374-T378 PolarHBondContact O-N 3.41Å; D374-T378 PolarHBondContact O-OG1 3.34Å
375	A	96.1	Very high	96.5	Very high	2 Å²	2	22.4 Å²	22.4	2%	0.017	12%	0.119	C	C	.	.	H	α-helix	trans	-66.5	-31.6	-178.3	0	0	0	0	0	112.3	L81 W84 I85 T378 C379	L81-A375 HydrophobicContact CD2-CB 4.21Å; W84-A375 HydrophobicContact CB-CB 4.12Å; W84-A375 HydrophobicContact CE3-CB 4.22Å; I85-A375 HydrophobicContact CG1-CB 3.97Å; A375-T378 PolarHBondContact O-N 3.41Å; A375-C379 VanDerWaalsContact O-CB 3.25Å; A375-C379 WeakPolarHBondContact O-CB 3.48Å; A375-C379 PolarHBondContact O-N 3.45Å
376	Y	98.1	Very high	96.5	Very high	61 Å²	61	22.4 Å²	22.4	24%	0.239	12%	0.119	C	C	.	.	H	α-helix	trans	-63.5	-55.8	179.3	167.4	-90.6	0	0	0	111.1	W84 C279 W283 D374 T378 C379 Y380	W84-Y376 AromaticContact CE2-CD2 3.86Å; W84-Y376 HydrophobicContact CH2-CD2 4.19Å; W84-Y376 AromaticContact CZ2-CD2 3.61Å; W84-Y376 HydrophobicContact CZ2-CD2 3.61Å; W84-Y376 HydrophobicContact CZ2-CG 4.37Å; C279-Y376 HydrophobicContact CB-CD1 4.28Å; C279-Y376 HydrophobicContact CB-CE1 3.31Å; C279-Y376 WeakPolarHBondContact CB-OH 2.96Å; C279-Y376 PolarHBondContact SG-OH 3.13Å; W283-Y376 AromaticContact NE1-CZ 3.86Å; W283-Y376 PolarHBondContact NE1-OH 3.49Å; D374-Y376 VanDerWaalsContact C-N 3.28Å; D374-Y376 PolarHBondContact O-N 3.47Å; D374-Y376 WeakPolarHBondContact OD1-CB 3.11Å; D374-Y376 PolarHBondContact OD1-N 2.84Å; D374-Y376 VanDerWaalsContact OD1-N 3.14Å; Y376-T378 VanDerWaalsContact C-N 3.31Å; Y376-T378 PolarHBondContact O-N 3.48Å; Y376-C379 PolarHBondContact O-N 2.91Å; Y376-Y380 HydrophobicContact CD1-CD2 4.38Å; Y376-Y380 AromaticContact CD2-CD2 3.5Å; Y376-Y380 HydrophobicContact CD2-CD2 3.5Å; Y376-Y380 AromaticContact CD2-CE2 3.3Å; Y376-Y380 HydrophobicContact CD2-CE2 3.3Å; Y376-Y380 HydrophobicContact CE1-CD2 4.29Å; Y376-Y380 AromaticContact CE2-CD2 3.37Å; Y376-Y380 HydrophobicContact CE2-CD2 3.37Å; Y376-Y380 AromaticContact CE2-CE2 3.2Å; Y376-Y380 HydrophobicContact CE2-CE2 3.2Å; Y376-Y380 AromaticContact CG-CD2 4Å; Y376-Y380 HydrophobicContact CG-CD2 4Å; Y376-Y380 HydrophobicContact CG-CE2 4.2Å; Y376-Y380 AromaticContact CZ-CD2 3.78Å; Y376-Y380 WeakPolarHBondContact O-CD2 3.29Å; Y376-Y380 PolarHBondContact O-N 3.46Å
377	H	98.6	Very high	96.5	Very high	22 Å²	22	22.2 Å²	22.2	10%	0.102	12%	0.118	C	C	.	.	H	α-helix	trans	-66.1	-35.2	177.8	-68.4	98.6	0	0	0	111.4	D277 D367 D374 S381	D277-H377 IonicContact OD1-CD2 3.41Å; D277-H377 IonicContact OD1-NE2 3.83Å; D277-H377 PolarHBondContact OD1-NE2 3.04Å; D277-H377 IonicContact OD2-NE2 2.69Å; D367-H377 VanDerWaalsContact CA-CD2 3.43Å; D367-H377 WeakPolarHBondContact CA-CD2 3.32Å; D367-H377 WeakPolarHBondContact CB-NE2 3.45Å; D367-H377 PolarHBondContact N-CD2 2.87Å; D374-H377 IonicContact OD1-CG 3.55Å; D374-H377 PolarHBondContact OD1-N 3.41Å; D374-H377 IonicContact OD1-ND1 2.93Å; D374-H377 PolarHBondContact OD1-ND1 3.47Å; D374-H377 IonicContact OD2-CE1 3.94Å; D374-H377 IonicContact OD2-CG 3.47Å; D374-H377 IonicContact OD2-ND1 2.82Å; D374-H377 PolarHBondContact OD2-ND1 3.36Å; H377-S381 WeakPolarHBondContact O-CB 3.39Å; H377-S381 PolarHBondContact O-N 3.46Å; H377-S381 PolarHBondContact O-OG 3.16Å
378	T	98.5	Very high	96.6	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-57.9	-50	172.6	-56.9	0	0	0	0	111.4	L60 A88 G364 L365 D374 A375 Y376 L382	L60-T378 HydrophobicContact CD1-CG2 4.16Å; L60-T378 HydrophobicContact CD2-CG2 3.81Å; L60-T378 HydrophobicContact CG-CG2 4.18Å; A88-T378 HydrophobicContact CB-CG2 4.32Å; G364-T378 WeakPolarHBondContact CA-OG1 3.44Å; L365-T378 HydrophobicContact CD1-CG2 3.84Å; L365-T378 PolarHBondContact N-OG1 2.63Å; D374-T378 WeakPolarHBondContact O-CB 3.08Å; D374-T378 PolarHBondContact O-N 3.41Å; D374-T378 PolarHBondContact O-OG1 3.34Å; A375-T378 PolarHBondContact O-N 3.41Å; Y376-T378 VanDerWaalsContact C-N 3.31Å; Y376-T378 PolarHBondContact O-N 3.48Å; T378-L382 HydrophobicContact CG2-CD1 4.06Å; T378-L382 WeakPolarHBondContact O-CB 3.28Å; T378-L382 WeakPolarHBondContact O-CD1 3.36Å; T378-L382 VanDerWaalsContact O-CG 3.22Å; T378-L382 WeakPolarHBondContact O-CG 3.23Å; T378-L382 PolarHBondContact O-N 2.91Å
379	C	98.8	Very high	96.6	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-61.2	-55.7	178.5	176.2	0	0	0	0	112.2	W84 A375 Y376 L382 S383	W84-C379 HydrophobicContact CB-CB 3.77Å; W84-C379 HydrophobicContact CG-CB 4.07Å; A375-C379 VanDerWaalsContact O-CB 3.25Å; A375-C379 WeakPolarHBondContact O-CB 3.48Å; A375-C379 PolarHBondContact O-N 3.45Å; Y376-C379 PolarHBondContact O-N 2.91Å; C379-L382 PolarHBondContact O-N 3.04Å; C379-S383 WeakPolarHBondContact O-CB 3.32Å; C379-S383 PolarHBondContact O-N 3.17Å; C379-S383 PolarHBondContact O-OG 3.25Å
380	Y	98.9	Very high	96.6	Very high	2 Å²	2	20.4 Å²	20.4	1%	0.008	11%	0.109	C	C	.	.	H	α-helix	trans	-76.8	-25.9	-172.4	-67.8	-64.7	0	0	0	113.9	W80 W84 F282 W283 Y376 G384	W80-Y380 WeakPolarHBondContact CZ3-OH 3.21Å; W84-Y380 AromaticContact CD1-CE2 3.98Å; W84-Y380 AromaticContact NE1-CE2 3.47Å; W84-Y380 AromaticContact NE1-CZ 3.83Å; F282-Y380 HydrophobicContact CB-CD1 3.92Å; F282-Y380 AromaticContact CD1-CD1 3.69Å; F282-Y380 HydrophobicContact CD1-CD1 3.69Å; F282-Y380 AromaticContact CD1-CE1 3.94Å; F282-Y380 HydrophobicContact CD1-CE1 3.94Å; F282-Y380 HydrophobicContact CE1-CE1 4.47Å; F282-Y380 AromaticContact CG-CD1 3.96Å; F282-Y380 HydrophobicContact CG-CD1 3.96Å; W283-Y380 AromaticContact CE2-CE1 3.96Å; W283-Y380 AromaticContact CH2-CE1 3.84Å; W283-Y380 HydrophobicContact CH2-CE1 3.84Å; W283-Y380 AromaticContact CH2-CZ 3.77Å; W283-Y380 WeakPolarHBondContact CH2-OH 3.39Å; W283-Y380 HydrophobicContact CZ2-CD1 4.18Å; W283-Y380 HydrophobicContact CZ2-CD2 4.4Å; W283-Y380 AromaticContact CZ2-CE1 3.52Å; W283-Y380 HydrophobicContact CZ2-CE1 3.52Å; W283-Y380 AromaticContact CZ2-CE2 3.78Å; W283-Y380 HydrophobicContact CZ2-CE2 3.78Å; W283-Y380 AromaticContact CZ2-CZ 3.28Å; W283-Y380 WeakPolarHBondContact CZ2-OH 3.45Å; Y376-Y380 HydrophobicContact CD1-CD2 4.38Å; Y376-Y380 AromaticContact CD2-CD2 3.5Å; Y376-Y380 HydrophobicContact CD2-CD2 3.5Å; Y376-Y380 AromaticContact CD2-CE2 3.3Å; Y376-Y380 HydrophobicContact CD2-CE2 3.3Å; Y376-Y380 HydrophobicContact CE1-CD2 4.29Å; Y376-Y380 AromaticContact CE2-CD2 3.37Å; Y376-Y380 HydrophobicContact CE2-CD2 3.37Å; Y376-Y380 AromaticContact CE2-CE2 3.2Å; Y376-Y380 HydrophobicContact CE2-CE2 3.2Å; Y376-Y380 AromaticContact CG-CD2 4Å; Y376-Y380 HydrophobicContact CG-CD2 4Å; Y376-Y380 HydrophobicContact CG-CE2 4.2Å; Y376-Y380 AromaticContact CZ-CD2 3.78Å; Y376-Y380 WeakPolarHBondContact O-CD2 3.29Å; Y376-Y380 PolarHBondContact O-N 3.46Å; Y380-G384 PolarHBondContact O-N 3.5Å
381	S	98.8	Very high	96.8	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-67.4	-45.2	169.3	-60.8	0	0	0	0	111.1	S278 L365 H377 S383 G384 L385	S278-S381 WeakPolarHBondContact CB-OG 3.24Å; S278-S381 PolarHBondContact OG-OG 3.49Å; L365-S381 VanDerWaalsContact CD2-CB 3.4Å; H377-S381 WeakPolarHBondContact O-CB 3.39Å; H377-S381 PolarHBondContact O-N 3.46Å; H377-S381 PolarHBondContact O-OG 3.16Å; S381-S383 VanDerWaalsContact C-N 3.33Å; S381-G384 PolarHBondContact O-N 3.41Å; S381-L385 VanDerWaalsContact O-CB 3.29Å; S381-L385 WeakPolarHBondContact O-CB 3.43Å; S381-L385 PolarHBondContact O-N 3.03Å
382	L	98.8	Very high	96.7	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-66.7	-37.2	176.3	-69.3	171.8	0	0	0	111.6	L51 A88 L91 L92 L365 T378 C379 L385 S386 L422	L51-L382 HydrophobicContact CD1-CD2 4.11Å; L51-L382 HydrophobicContact CD2-CD2 4.23Å; A88-L382 HydrophobicContact CB-CD1 3.93Å; L91-L382 HydrophobicContact CD1-CB 3.86Å; L92-L382 HydrophobicContact CD1-CD1 3.97Å; L92-L382 HydrophobicContact CD2-CD1 4.28Å; L92-L382 HydrophobicContact CD2-CD2 4.13Å; L92-L382 HydrophobicContact CG-CD1 4Å; L365-L382 HydrophobicContact CD1-CD1 4.37Å; L365-L382 HydrophobicContact CD1-CD2 4.26Å; L365-L382 HydrophobicContact CD1-CG 4.08Å; T378-L382 HydrophobicContact CG2-CD1 4.06Å; T378-L382 WeakPolarHBondContact O-CB 3.28Å; T378-L382 WeakPolarHBondContact O-CD1 3.36Å; T378-L382 VanDerWaalsContact O-CG 3.22Å; T378-L382 WeakPolarHBondContact O-CG 3.23Å; T378-L382 PolarHBondContact O-N 2.91Å; C379-L382 PolarHBondContact O-N 3.04Å; L382-L385 PolarHBondContact O-N 2.92Å; L382-S386 WeakPolarHBondContact O-CB 3.37Å; L382-S386 PolarHBondContact O-N 3.09Å; L382-L422 HydrophobicContact CB-CD1 4.28Å; L382-L422 HydrophobicContact CD2-CD1 3.98Å; L382-L422 HydrophobicContact CD2-CD2 4.39Å; L382-L422 VanDerWaalsContact O-CD1 3.26Å; L382-L422 WeakPolarHBondContact O-CD1 3.36Å
383	S	98.8	Very high	96.5	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-63.1	-46.8	175.7	-54.1	0	0	0	0	110.6	H87 C379 S381 S386 V387 L425 N430	H87-S383 PolarHBondContact NE2-OG 2.97Å; C379-S383 WeakPolarHBondContact O-CB 3.32Å; C379-S383 PolarHBondContact O-N 3.17Å; C379-S383 PolarHBondContact O-OG 3.25Å; S381-S383 VanDerWaalsContact C-N 3.33Å; S383-S386 PolarHBondContact O-N 3.25Å; S383-V387 WeakPolarHBondContact O-CG2 3.49Å; S383-V387 PolarHBondContact O-N 3.45Å; S383-L425 WeakPolarHBondContact O-CD2 3.28Å; S383-N430 WeakPolarHBondContact CB-OD1 3.47Å; S383-N430 PolarHBondContact OG-ND2 3.4Å; S383-N430 PolarHBondContact OG-OD1 2.85Å
384	G	98.6	Very high	95.6	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-65.9	-35.7	175.7	0	0	0	0	0	114	S281 Y380 S381 V387 A388	S281-G384 VanDerWaalsContact C-CA 3.47Å; S281-G384 VanDerWaalsContact O-CA 3.24Å; S281-G384 WeakPolarHBondContact O-CA 3.5Å; Y380-G384 PolarHBondContact O-N 3.5Å; S381-G384 PolarHBondContact O-N 3.41Å; G384-V387 PolarHBondContact O-N 2.86Å; G384-A388 WeakPolarHBondContact O-CB 3.43Å; G384-A388 PolarHBondContact O-N 2.83Å
385	L	98.4	Very high	94.6	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-63.7	-43.2	172.9	179.8	53.9	0	0	0	111.2	L51 Q316 I319 L320 S381 L382 A388 Q389 L422	L51-L385 HydrophobicContact CD1-CD2 4.22Å; L51-L385 HydrophobicContact CD2-CD2 4.11Å; Q316-L385 HydrophobicContact CB-CD1 4.1Å; Q316-L385 HydrophobicContact CG-CD1 3.62Å; I319-L385 HydrophobicContact CD1-CB 3.94Å; I319-L385 HydrophobicContact CG2-CB 4.49Å; I319-L385 HydrophobicContact CG2-CD2 4.26Å; L320-L385 HydrophobicContact CD2-CD2 4.22Å; S381-L385 VanDerWaalsContact O-CB 3.29Å; S381-L385 WeakPolarHBondContact O-CB 3.43Å; S381-L385 PolarHBondContact O-N 3.03Å; L382-L385 PolarHBondContact O-N 2.92Å; L385-A388 PolarHBondContact O-N 3.08Å; L385-Q389 HydrophobicContact CD1-CG 4.34Å; L385-Q389 VanDerWaalsContact O-CG 3.32Å; L385-Q389 WeakPolarHBondContact O-CG 3.49Å; L385-Q389 PolarHBondContact O-N 2.68Å; L385-L422 HydrophobicContact CB-CD1 3.85Å; L385-L422 HydrophobicContact CD2-CD1 3.87Å; L385-L422 HydrophobicContact CG-CD1 3.72Å
386	S	98	Very high	92.9	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-61.7	-47.7	173.9	176.3	0	0	0	0	110.8	L382 S383 A388 Q389 H390 V423	L382-S386 WeakPolarHBondContact O-CB 3.37Å; L382-S386 PolarHBondContact O-N 3.09Å; S383-S386 PolarHBondContact O-N 3.25Å; S386-A388 VanDerWaalsContact C-N 3.27Å; S386-A388 PolarHBondContact O-N 2.88Å; S386-Q389 PolarHBondContact O-N 2.92Å; S386-Q389 VanDerWaalsContact O-N 3.13Å; S386-H390 PolarHBondContact O-N 3.44Å; S386-H390 VanDerWaalsContact O-N 3.12Å; S386-H390 PolarHBondContact O-ND1 3.28Å; S386-H390 PolarHBondContact OG-ND1 3.09Å; S386-V423 PolarHBondContact OG-O 3.44Å
387	V	97.3	Very high	90.6	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-54.8	-44	174.8	169.3	0	0	0	0	111.6	F282 A286 P289 F310 S383 G384 H390 S391 L425	F282-V387 HydrophobicContact CD2-CG2 4.35Å; A286-V387 HydrophobicContact CB-CG2 4.42Å; P289-V387 HydrophobicContact CG-CG1 3.79Å; F310-V387 HydrophobicContact CZ-CG1 4.48Å; S383-V387 WeakPolarHBondContact O-CG2 3.49Å; S383-V387 PolarHBondContact O-N 3.45Å; G384-V387 PolarHBondContact O-N 2.86Å; V387-H390 PolarHBondContact O-N 3.21Å; V387-S391 PolarHBondContact O-N 3.45Å; V387-S391 PolarHBondContact O-OG 3.26Å; V387-L425 HydrophobicContact CG2-CD1 4.01Å; V387-L425 HydrophobicContact CG2-CD2 4.5Å; V387-L425 HydrophobicContact CG2-CG 4.47Å
388	A	97.6	Very high	87.9	Confident	0 Å²	0	21 Å²	21	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-63.7	-42.3	178	0	0	0	0	0	113.1	P312 L315 Q316 G384 L385 S386 H390 S391	P312-A388 HydrophobicContact CB-CB 4.05Å; P312-A388 WeakPolarHBondContact CB-O 3.25Å; L315-A388 HydrophobicContact CD2-CB 4.1Å; Q316-A388 HydrophobicContact CG-CB 3.8Å; G384-A388 WeakPolarHBondContact O-CB 3.43Å; G384-A388 PolarHBondContact O-N 2.83Å; L385-A388 PolarHBondContact O-N 3.08Å; S386-A388 VanDerWaalsContact C-N 3.27Å; S386-A388 PolarHBondContact O-N 2.88Å; A388-H390 VanDerWaalsContact C-N 3.26Å; A388-H390 PolarHBondContact O-N 2.99Å; A388-S391 PolarHBondContact O-N 3.02Å
389	Q	96.4	Very high	85.4	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-66.5	-28.8	-179.9	-73.5	173.5	-12.1	0	0	112.8	L385 S386 A410 V411 I413 N420	L385-Q389 HydrophobicContact CD1-CG 4.34Å; L385-Q389 VanDerWaalsContact O-CG 3.32Å; L385-Q389 WeakPolarHBondContact O-CG 3.49Å; L385-Q389 PolarHBondContact O-N 2.68Å; S386-Q389 PolarHBondContact O-N 2.92Å; S386-Q389 VanDerWaalsContact O-N 3.13Å; Q389-A410 HydrophobicContact CB-CB 4.47Å; Q389-A410 CarbonylContact O-C 3.51Å; Q389-A410 VanDerWaalsContact O-CA 3.27Å; Q389-A410 WeakPolarHBondContact O-CA 3.46Å; Q389-V411 PolarHBondContact O-N 3.5Å; Q389-I413 HydrophobicContact CG-CG1 4.37Å; Q389-N420 PolarHBondContact NE2-O 3.17Å
390	H	94.1	Very high	82.6	Confident	5 Å²	5	31.4 Å²	31.4	2%	0.023	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	19.9	-178	-56.7	94.7	0	0	0	113.2	S386 V387 A388 P392 R393 S408 P409 A410 L422 D424	S386-H390 PolarHBondContact O-N 3.44Å; S386-H390 VanDerWaalsContact O-N 3.12Å; S386-H390 PolarHBondContact O-ND1 3.28Å; S386-H390 PolarHBondContact OG-ND1 3.09Å; V387-H390 PolarHBondContact O-N 3.21Å; A388-H390 VanDerWaalsContact C-N 3.26Å; A388-H390 PolarHBondContact O-N 2.99Å; H390-P392 CarbonylContact O-C 3.55Å; H390-R393 WeakPolarHBondContact O-CA 3.27Å; H390-R393 WeakPolarHBondContact O-CG 3.26Å; H390-R393 PolarHBondContact O-N 3.41Å; H390-S408 PolarHBondContact CD2-O 3.03Å; H390-P409 VanDerWaalsContact CD2-C 3.49Å; H390-A410 PolarHBondContact CD2-N 2.81Å; H390-L422 PolarHBondContact CE1-O 3.22Å; H390-D424 IonicContact CD2-OD1 3.33Å; H390-D424 PolarHBondContact CE1-N 3.48Å; H390-D424 IonicContact CG-OD1 3.09Å; H390-D424 IonicContact ND1-OD1 3.24Å; H390-D424 PolarHBondContact ND1-OD1 3.09Å
391	S	92.6	Very high	79.6	Confident	3 Å²	3	39.8 Å²	39.8	2%	0.021	20%	0.198	C	C	.	.			trans	-107.7	135.4	175.8	-64.6	0	0	0	0	110.9	T308 V387 A388	T308-S391 VanDerWaalsContact CG2-C 3.48Å; V387-S391 PolarHBondContact O-N 3.45Å; V387-S391 PolarHBondContact O-OG 3.26Å; A388-S391 PolarHBondContact O-N 3.02Å
392	P	90.1	Very high	77.2	Confident	19 Å²	19	49.1 Å²	49.1	12%	0.123	24%	0.241	C	C	.	.	S	Bend	cis	-69.6	149.1	-3.7	31.4	-33.7	0	0	0	110.6	D305 T308 H390	D305-P392 WeakPolarHBondContact O-CG 2.89Å; T308-P392 HydrophobicContact CG2-CB 4.11Å; T308-P392 HydrophobicContact CG2-CG 4.35Å; T308-P392 VanDerWaalsContact CG2-N 3.3Å; H390-P392 CarbonylContact O-C 3.55Å
393	R	88.1	Confident	75.1	Confident	26 Å²	26	51 Å²	51	10%	0.098	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-75.9	150.4	179.3	-77.8	-160.1	166	-142.4	-7.9	112.2	P289 H390 R395 S408 D424 L425 H433	P289-R393 HydrophobicContact CB-CG 4.32Å; H390-R393 WeakPolarHBondContact O-CA 3.27Å; H390-R393 WeakPolarHBondContact O-CG 3.26Å; H390-R393 PolarHBondContact O-N 3.41Å; R393-R395 PolarHBondContact O-N 2.85Å; R393-S408 WeakPolarHBondContact CA-OG 3.38Å; R393-S408 WeakPolarHBondContact CB-OG 3.28Å; R393-D424 IonicContact CZ-OD1 2.67Å; R393-D424 IonicContact CZ-OD2 2.87Å; R393-D424 IonicContact NH1-OD2 3.75Å; R393-D424 VanDerWaalsContact NH2-CG 3.32Å; R393-D424 IonicContact NH2-OD1 3.46Å; R393-D424 PolarHBondContact NH2-OD1 2.76Å; R393-D424 IonicContact NH2-OD2 3.26Å; R393-D424 PolarHBondContact NH2-OD2 2.91Å; R393-L425 PolarHBondContact NH1-O 3.49Å; R393-L425 PolarHBondContact NH2-O 2.95Å; R393-H433 PolarHBondContact NH1-NE2 2.61Å
394	C	76	Confident	73.4	Confident	69 Å²	69	52.8 Å²	52.8	47%	0.466	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-70	118	173.2	-171.3	0	0	0	0	110	S408	C394-S408 PolarHBondContact N-OG 3.43Å
395	R	73.6	Confident	71.9	Confident	40 Å²	40	53.9 Å²	53.9	15%	0.151	28%	0.277	C	S	.	.			trans	-99	94.3	179.1	-55.3	176.7	-167.3	124.5	5.8	108.3	E292 W296 N304 D305 R393	E292-R395 IonicContact OE2-NH2 3.5Å; E292-R395 PolarHBondContact OE2-NH2 3.37Å; E292-R395 VanDerWaalsContact OE2-NH2 3.11Å; W296-R395 HydrophobicContact CD2-CB 3.96Å; W296-R395 HydrophobicContact CG-CB 4.08Å; W296-R395 HydrophobicContact CG-CG 4.28Å; W296-R395 HydrophobicContact CZ2-CB 4.39Å; N304-R395 PolarHBondContact O-NH1 3.1Å; D305-R395 IonicContact OD1-CZ 3.4Å; D305-R395 IonicContact OD1-NH1 2.69Å; D305-R395 PolarHBondContact OD1-NH1 3.04Å; R393-R395 PolarHBondContact O-N 2.85Å
396	V	62	Low	70.8	Confident	65 Å²	65	58 Å²	58	39%	0.394	30%	0.296	S	S	.	.			trans	-101.2	145.8	177.3	-114.7	0	0	0	0	109.7	S398	V396-S398 PolarHBondContact O-N 2.77Å
397	E	49	Very low	70	Confident	152 Å²	152	59.2 Å²	59.2	71%	0.71	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-57.8	2	176	-69.7	-176.9	160.6	0	0	114.7	Y399 Q400	E397-Y399 PolarHBondContact O-N 3.38Å; E397-Y399 VanDerWaalsContact O-N 3.12Å; E397-Q400 PolarHBondContact O-N 3.48Å
398	S	42	Very low	69.5	Low	61 Å²	61	59.6 Å²	59.6	43%	0.427	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-62.3	-17.5	-180	53.9	0	0	0	0	114.5	V396 Q400	V396-S398 PolarHBondContact O-N 2.77Å; S398-Q400 PolarHBondContact O-N 2.72Å; S398-Q400 VanDerWaalsContact O-N 3.13Å
399	Y	46.4	Very low	69	Low	70 Å²	70	63.7 Å²	63.7	28%	0.275	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-71.2	-0.4	-179.6	-82	-85.6	0	0	0	115.1	E293 E397 K401 P405	E293-Y399 VanDerWaalsContact OE1-CD1 3.27Å; E293-Y399 WeakPolarHBondContact OE1-CD1 3.26Å; E293-Y399 WeakPolarHBondContact OE1-CE1 3.24Å; E293-Y399 VanDerWaalsContact OE1-CZ 3.3Å; E397-Y399 PolarHBondContact O-N 3.38Å; E397-Y399 VanDerWaalsContact O-N 3.12Å; Y399-K401 PolarHBondContact O-N 3.13Å; Y399-P405 HydrophobicContact CE1-CG 4.38Å; Y399-P405 WeakPolarHBondContact OH-CA 3.24Å; Y399-P405 WeakPolarHBondContact OH-CB 3.49Å
400	Q	38.3	Very low	68.6	Low	147 Å²	147	65 Å²	65	69%	0.687	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-89.9	13.1	-170.6	-72.3	-165.1	-11.8	0	0	117.8	E397 S398	E397-Q400 PolarHBondContact O-N 3.48Å; S398-Q400 PolarHBondContact O-N 2.72Å; S398-Q400 VanDerWaalsContact O-N 3.13Å
401	K	37	Very low	68.4	Low	178 Å²	178	69 Å²	69	77%	0.774	37%	0.368	S	S	*	.	S	Bend	trans	-171.1	94.3	167.1	-111.8	162.3	-172.4	178.7	0	111.6	Y399 G403	Y399-K401 PolarHBondContact O-N 3.13Å; K401-G403 PolarHBondContact O-N 3.09Å
402	H	47.2	Very low	68.1	Low	196 Å²	196	72 Å²	72	91%	0.907	38%	0.384	S	S	*	.	S	Bend	trans	56.3	23	168.2	-51.8	-64.6	0	0	0	115.6
403	G	55.3	Low	68.2	Low	41 Å²	41	71.9 Å²	71.9	42%	0.423	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-84.2	149.8	-174.6	0	0	0	0	0	112.8	K401	K401-G403 PolarHBondContact O-N 3.09Å
404	L	64.1	Low	68.4	Low	37 Å²	37	71.4 Å²	71.4	19%	0.194	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-72	143.9	169.7	-74.6	157.6	0	0	0	110.3	H406 L436 A437 V440	L404-H406 PolarHBondContact O-N 2.86Å; L404-L436 HydrophobicContact CD2-CD2 4.34Å; L404-L436 HydrophobicContact CD2-CG 3.99Å; L404-A437 HydrophobicContact CD1-CB 3.78Å; L404-V440 HydrophobicContact CD2-CB 3.75Å; L404-V440 HydrophobicContact CD2-CG1 3.91Å; L404-V440 HydrophobicContact CD2-CG2 3.86Å
405	P	67.5	Low	69	Low	23 Å²	23	68.4 Å²	68.4	15%	0.149	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-50.3	129.5	167.3	-28.3	36.6	0	0	0	111.3	Y399 D426 H433 L436	Y399-P405 HydrophobicContact CE1-CG 4.38Å; Y399-P405 WeakPolarHBondContact OH-CA 3.24Å; Y399-P405 WeakPolarHBondContact OH-CB 3.49Å; P405-D426 WeakPolarHBondContact CG-OD1 3.36Å; P405-H433 PolarHBondContact O-CE1 3.06Å; P405-H433 PolarHBondContact O-ND1 2.71Å; P405-L436 HydrophobicContact CB-CD2 4.42Å; P405-L436 HydrophobicContact CG-CD2 4.05Å
406	H	73.4	Confident	69.8	Low	85 Å²	85	72.7 Å²	72.7	39%	0.394	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-89	138.7	177.9	-164.4	-72.7	0	0	0	109.8	L404 Y466	L404-H406 PolarHBondContact O-N 2.86Å; H406-Y466 AromaticContact CD2-CE1 3.63Å; H406-Y466 AromaticContact NE2-CE1 3.98Å
407	P	82.5	Confident	71.1	Confident	27 Å²	27	76 Å²	76	18%	0.175	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-59.5	139.7	172.7	25.1	-34.3	0	0	0	110.6	D424 H433 Y466	P407-D424 WeakPolarHBondContact CA-OD2 3.19Å; P407-D424 HydrophobicContact CB-CB 4.29Å; P407-H433 HydrophobicContact CB-CB 4.25Å; P407-H433 HydrophobicContact CG-CB 4.43Å; P407-Y466 HydrophobicContact CG-CD1 3.71Å; P407-Y466 HydrophobicContact CG-CG 4.37Å
408	S	86	Confident	73.1	Confident	7 Å²	7	70.2 Å²	70.2	5%	0.049	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-89.4	147	170.3	-67.8	0	0	0	0	109.9	H390 R393 C394 D424	H390-S408 PolarHBondContact CD2-O 3.03Å; R393-S408 WeakPolarHBondContact CA-OG 3.38Å; R393-S408 WeakPolarHBondContact CB-OG 3.28Å; C394-S408 PolarHBondContact N-OG 3.43Å; S408-D424 PolarHBondContact N-OD2 3.47Å
409	P	86.9	Confident	75.4	Confident	87 Å²	87	68.8 Å²	68.8	57%	0.565	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-69.8	151.5	169.1	31	-34	0	0	0	110.2	H390	H390-P409 VanDerWaalsContact CD2-C 3.49Å
410	A	89.5	Confident	77.7	Confident	27 Å²	27	65.5 Å²	65.5	22%	0.223	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-69.4	138.4	170.9	0	0	0	0	0	110	Q389 H390 I413 E421	Q389-A410 HydrophobicContact CB-CB 4.47Å; Q389-A410 CarbonylContact O-C 3.51Å; Q389-A410 VanDerWaalsContact O-CA 3.27Å; Q389-A410 WeakPolarHBondContact O-CA 3.46Å; H390-A410 PolarHBondContact CD2-N 2.81Å; A410-I413 HydrophobicContact CB-CD1 3.62Å; A410-I413 HydrophobicContact CB-CG1 3.73Å; A410-E421 HydrophobicContact CB-CG 4.32Å
411	V	88.4	Confident	80.4	Confident	88 Å²	88	62.2 Å²	62.2	53%	0.533	34%	0.336	S	S	.	.			trans	-115.6	-47.6	-171.1	-176.4	0	0	0	0	112.6	Q389	Q389-V411 PolarHBondContact O-N 3.5Å
412	D	86.1	Confident	83.2	Confident	66 Å²	66	53.9 Å²	53.9	35%	0.353	30%	0.3	S	S	.	.			trans	-127	80.5	-178.8	-179.7	29.9	0	0	0	109.5	S313 Q316 L414	S313-D412 PolarHBondContact OG-OD2 2.74Å; Q316-D412 PolarHBondContact NE2-O 3.03Å; Q316-D412 PolarHBondContact OE1-O 3.48Å; D412-L414 PolarHBondContact O-N 3.16Å
413	I	92.9	Very high	85.5	Confident	18 Å²	18	45.1 Å²	45.1	9%	0.092	26%	0.261	C	S	.	.			trans	-86.9	108.9	178.6	-56.4	159.9	0	0	0	108.8	Q389 A410 G415 E416 N420 E421	Q389-I413 HydrophobicContact CG-CG1 4.37Å; A410-I413 HydrophobicContact CB-CD1 3.62Å; A410-I413 HydrophobicContact CB-CG1 3.73Å; I413-G415 PolarHBondContact O-N 2.95Å; I413-G415 VanDerWaalsContact O-N 3.14Å; I413-E416 HydrophobicContact CB-CB 3.96Å; I413-E416 HydrophobicContact CB-CG 4.2Å; I413-E416 HydrophobicContact CD1-CG 4.02Å; I413-E416 HydrophobicContact CG2-CB 4.14Å; I413-E416 PolarHBondContact O-N 3.15Å; I413-E416 VanDerWaalsContact O-N 3.15Å; I413-N420 HydrophobicContact CG2-CB 3.84Å; I413-E421 HydrophobicContact CD1-CB 3.8Å; I413-E421 HydrophobicContact CD1-CG 3.81Å
414	L	92.2	Very high	87.4	Confident	16 Å²	16	43.5 Å²	43.5	8%	0.084	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	116.3	174.9	-168.4	64	0	0	0	109.8	L49 Q316 E317 L320 D412 N420	L49-L414 HydrophobicContact CD1-CD1 3.96Å; L49-L414 HydrophobicContact CD1-CD2 4.09Å; L49-L414 HydrophobicContact CD1-CG 3.8Å; L49-L414 HydrophobicContact CD2-CD2 3.73Å; L49-L414 HydrophobicContact CD2-CG 4.25Å; L49-L414 HydrophobicContact CG-CD2 4.47Å; L49-L414 HydrophobicContact CG-CG 4.48Å; Q316-L414 HydrophobicContact CB-CB 4.01Å; Q316-L414 HydrophobicContact CB-CD2 4.06Å; E317-L414 HydrophobicContact CB-CD2 4.3Å; E317-L414 HydrophobicContact CG-CD2 3.48Å; E317-L414 VanDerWaalsContact CG-CD2 3.48Å; L320-L414 HydrophobicContact CD1-CB 4.27Å; L320-L414 HydrophobicContact CD1-CD2 4.21Å; L320-L414 HydrophobicContact CD1-CG 4.44Å; D412-L414 PolarHBondContact O-N 3.16Å; L414-N420 PolarHBondContact O-ND2 3.36Å
415	G	89.1	Confident	88.9	Confident	6 Å²	6	41.8 Å²	41.8	6%	0.062	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.2	39.1	-173.5	0	0	0	0	0	113	I413 E417 L418 N420	I413-G415 PolarHBondContact O-N 2.95Å; I413-G415 VanDerWaalsContact O-N 3.14Å; G415-E417 PolarHBondContact O-N 3.28Å; G415-L418 WeakPolarHBondContact O-CA 3.21Å; G415-L418 VanDerWaalsContact O-CB 3.27Å; G415-L418 WeakPolarHBondContact O-CB 3.4Å; G415-L418 PolarHBondContact O-N 2.85Å; G415-N420 PolarHBondContact O-ND2 3.02Å
416	E	90.2	Very high	90.2	Very high	129 Å²	129	40.8 Å²	40.8	60%	0.603	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-49.8	-43	176.9	-169.8	-177.9	175.1	0	0	112.4	I413 L418 G419	I413-E416 HydrophobicContact CB-CB 3.96Å; I413-E416 HydrophobicContact CB-CG 4.2Å; I413-E416 HydrophobicContact CD1-CG 4.02Å; I413-E416 HydrophobicContact CG2-CB 4.14Å; I413-E416 PolarHBondContact O-N 3.15Å; I413-E416 VanDerWaalsContact O-N 3.15Å; E416-L418 PolarHBondContact O-N 3.09Å; E416-L418 VanDerWaalsContact O-N 3.15Å; E416-G419 PolarHBondContact O-N 2.94Å
417	E	89.7	Confident	91.2	Very high	136 Å²	136	36.9 Å²	36.9	64%	0.636	21%	0.209	S	C	*	.	G	3₁₀ helix	trans	-60.2	-25.2	177.9	70.4	-74	175.2	0	0	113.2	G415 G419	G415-E417 PolarHBondContact O-N 3.28Å; E417-G419 VanDerWaalsContact C-N 3.3Å
418	L	89.6	Confident	91.8	Very high	29 Å²	29	36.5 Å²	36.5	15%	0.152	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-83.7	-6.5	177.5	-51.6	174.2	0	0	0	112.5	L49 R50 G415 E416	L49-L418 HydrophobicContact CB-CD1 4.38Å; R50-L418 HydrophobicContact CB-CB 4.48Å; R50-L418 HydrophobicContact CB-CD1 4.04Å; R50-L418 HydrophobicContact CG-CB 4.47Å; G415-L418 WeakPolarHBondContact O-CA 3.21Å; G415-L418 VanDerWaalsContact O-CB 3.27Å; G415-L418 WeakPolarHBondContact O-CB 3.4Å; G415-L418 PolarHBondContact O-N 2.85Å; E416-L418 PolarHBondContact O-N 3.09Å; E416-L418 VanDerWaalsContact O-N 3.15Å
419	G	90.8	Very high	92.3	Very high	32 Å²	32	36.5 Å²	36.5	33%	0.33	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.3	36.5	178.6	0	0	0	0	0	113.6	K53 E416 E417 E421	K53-G419 WeakPolarHBondContact CE-O 3.41Å; K53-G419 PolarHBondContact NZ-O 3.42Å; E416-G419 PolarHBondContact O-N 2.94Å; E417-G419 VanDerWaalsContact C-N 3.3Å; G419-E421 VanDerWaalsContact C-N 3.34Å; G419-E421 PolarHBondContact O-N 3.33Å
420	N	94.5	Very high	92.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.178	C	C	.	.			trans	-77.3	-11.3	-174.2	-76.2	-4.6	0	0	0	115.6	L49 L51 Q389 I413 L414 G415 L422	L49-N420 PolarHBondContact O-ND2 3.01Å; L51-N420 HydrophobicContact CB-CB 4.41Å; L51-N420 WeakPolarHBondContact CB-OD1 3.48Å; L51-N420 PolarHBondContact N-OD1 2.93Å; Q389-N420 PolarHBondContact NE2-O 3.17Å; I413-N420 HydrophobicContact CG2-CB 3.84Å; L414-N420 PolarHBondContact O-ND2 3.36Å; G415-N420 PolarHBondContact O-ND2 3.02Å; N420-L422 PolarHBondContact O-N 2.78Å
421	E	95.3	Very high	93.2	Very high	78 Å²	78	31 Å²	31	36%	0.364	17%	0.168	S	C	.	.	P	Polyproline II helix	trans	-52.9	127	-177.7	-170.3	-179.5	-175.8	0	0	112.9	K53 A410 I413 G419	K53-E421 PolarHBondContact NZ-O 3.5Å; A410-E421 HydrophobicContact CB-CG 4.32Å; I413-E421 HydrophobicContact CD1-CB 3.8Å; I413-E421 HydrophobicContact CD1-CG 3.81Å; G419-E421 VanDerWaalsContact C-N 3.34Å; G419-E421 PolarHBondContact O-N 3.33Å
422	L	95.9	Very high	93.5	Very high	4 Å²	4	27 Å²	27	2%	0.021	14%	0.143	C	C	.	.	P	Polyproline II helix	trans	-102.3	161.7	171.6	-64.3	-178.5	0	0	0	110.5	L51 L91 L92 L382 L385 H390 N420	L51-L422 HydrophobicContact CD2-CD2 3.66Å; L51-L422 HydrophobicContact CD2-CG 4.24Å; L91-L422 WeakPolarHBondContact O-CD2 3.29Å; L92-L422 HydrophobicContact CD2-CD2 3.89Å; L382-L422 HydrophobicContact CB-CD1 4.28Å; L382-L422 HydrophobicContact CD2-CD1 3.98Å; L382-L422 HydrophobicContact CD2-CD2 4.39Å; L382-L422 VanDerWaalsContact O-CD1 3.26Å; L382-L422 WeakPolarHBondContact O-CD1 3.36Å; L385-L422 HydrophobicContact CB-CD1 3.85Å; L385-L422 HydrophobicContact CD2-CD1 3.87Å; L385-L422 HydrophobicContact CG-CD1 3.72Å; H390-L422 PolarHBondContact CE1-O 3.22Å; N420-L422 PolarHBondContact O-N 2.78Å
423	V	95.3	Very high	93.9	Very high	12 Å²	12	24 Å²	24	7%	0.073	13%	0.127	C	C	.	.	P	Polyproline II helix	trans	-71.7	139.5	171.7	-171.2	0	0	0	0	109.6	R90 L91 N93 S386 V432 V468	R90-V423 WeakPolarHBondContact O-CG2 3.21Å; L91-V423 WeakPolarHBondContact CD2-O 3.05Å; L91-V423 PolarHBondContact O-N 2.81Å; N93-V423 HydrophobicContact CB-CG2 3.68Å; S386-V423 PolarHBondContact OG-O 3.44Å; V423-V432 HydrophobicContact CG1-CG1 3.48Å; V423-V432 VanDerWaalsContact CG1-CG1 3.48Å; V423-V432 HydrophobicContact CG1-CG2 4.26Å; V423-V468 HydrophobicContact CG1-CG2 4.02Å
424	D	95	Very high	94	Very high	7 Å²	7	23.7 Å²	23.7	4%	0.037	13%	0.125	C	C	.	.	P	Polyproline II helix	trans	-66.7	153.7	174.7	-161.6	23.2	0	0	0	112.3	H390 R393 P407 S408 H433	H390-D424 IonicContact CD2-OD1 3.33Å; H390-D424 PolarHBondContact CE1-N 3.48Å; H390-D424 IonicContact CG-OD1 3.09Å; H390-D424 IonicContact ND1-OD1 3.24Å; H390-D424 PolarHBondContact ND1-OD1 3.09Å; R393-D424 IonicContact CZ-OD1 2.67Å; R393-D424 IonicContact CZ-OD2 2.87Å; R393-D424 IonicContact NH1-OD2 3.75Å; R393-D424 VanDerWaalsContact NH2-CG 3.32Å; R393-D424 IonicContact NH2-OD1 3.46Å; R393-D424 PolarHBondContact NH2-OD1 2.76Å; R393-D424 IonicContact NH2-OD2 3.26Å; R393-D424 PolarHBondContact NH2-OD2 2.91Å; P407-D424 WeakPolarHBondContact CA-OD2 3.19Å; P407-D424 HydrophobicContact CB-CB 4.29Å; S408-D424 PolarHBondContact N-OD2 3.47Å; D424-H433 IonicContact OD2-CD2 2.75Å; D424-H433 IonicContact OD2-NE2 2.65Å; D424-H433 PolarHBondContact OD2-NE2 3.3Å
425	L	95.5	Very high	94.2	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.121	C	C	.	.	B	Isolated β-bridge	trans	-131.2	160	-176.9	62.8	84.8	0	0	0	111.8	L91 F282 S383 V387 R393 N430 I431 H433	L91-L425 HydrophobicContact CD1-CD2 4.47Å; L91-L425 HydrophobicContact CD2-CB 4.17Å; L91-L425 HydrophobicContact CD2-CD2 3.75Å; F282-L425 HydrophobicContact CE2-CD1 3.89Å; S383-L425 WeakPolarHBondContact O-CD2 3.28Å; V387-L425 HydrophobicContact CG2-CD1 4.01Å; V387-L425 HydrophobicContact CG2-CD2 4.5Å; V387-L425 HydrophobicContact CG2-CG 4.47Å; R393-L425 PolarHBondContact NH1-O 3.49Å; R393-L425 PolarHBondContact NH2-O 2.95Å; L425-N430 WeakPolarHBondContact CD2-OD1 3.44Å; L425-I431 CarbonylContact C-O 3.51Å; L425-I431 WeakPolarHBondContact CA-O 3.44Å; L425-H433 PolarHBondContact O-NE2 3.13Å; L425-H433 VanDerWaalsContact O-NE2 3.12Å
426	D	94.8	Very high	94.5	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.011	12%	0.12	C	C	.	.			trans	-76.7	122.3	169.8	178	66.8	0	0	0	111	P405 T428 H429 N430 I431 L436	P405-D426 WeakPolarHBondContact CG-OD1 3.36Å; D426-T428 PolarHBondContact O-N 3.24Å; D426-T428 WeakPolarHBondContact OD2-CA 3.3Å; D426-T428 PolarHBondContact OD2-N 3.16Å; D426-T428 VanDerWaalsContact OD2-N 3.09Å; D426-T428 PolarHBondContact OD2-OG1 3.13Å; D426-H429 PolarHBondContact O-N 2.89Å; D426-H429 WeakPolarHBondContact OD2-CB 3.3Å; D426-H429 IonicContact OD2-CG 3.08Å; D426-H429 PolarHBondContact OD2-N 2.93Å; D426-H429 IonicContact OD2-ND1 3.61Å; D426-H429 PolarHBondContact OD2-ND1 3.29Å; D426-N430 WeakPolarHBondContact O-CA 3.45Å; D426-N430 PolarHBondContact O-N 3Å; D426-I431 PolarHBondContact N-O 3.13Å; D426-L436 HydrophobicContact CB-CD2 3.78Å
427	P	94.4	Very high	94.7	Very high	3 Å²	3	16.8 Å²	16.8	2%	0.019	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-12.6	-175.5	28.6	-34.9	0	0	0	112.7	F233 A286 P289 I290	F233-P427 WeakPolarHBondContact CE2-O 3.32Å; F233-P427 WeakPolarHBondContact CZ-O 3.4Å; A286-P427 HydrophobicContact CB-CB 4.39Å; P289-P427 HydrophobicContact CB-CB 4.37Å; P289-P427 HydrophobicContact CB-CG 4.38Å; I290-P427 HydrophobicContact CG1-CB 4.26Å; I290-P427 HydrophobicContact CG1-CG 4.4Å
428	T	95.3	Very high	95.1	Very high	19 Å²	19	10.3 Å²	10.3	12%	0.117	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-27	179.4	68.3	0	0	0	0	113.9	Y183 I290 D426	Y183-T428 WeakPolarHBondContact CE2-O 3.39Å; Y183-T428 PolarHBondContact OH-O 2.9Å; I290-T428 HydrophobicContact CD1-CG2 4.03Å; I290-T428 HydrophobicContact CG1-CG2 4.19Å; D426-T428 PolarHBondContact O-N 3.24Å; D426-T428 WeakPolarHBondContact OD2-CA 3.3Å; D426-T428 PolarHBondContact OD2-N 3.16Å; D426-T428 VanDerWaalsContact OD2-N 3.09Å; D426-T428 PolarHBondContact OD2-OG1 3.13Å
429	H	96.6	Very high	95.4	Very high	7 Å²	7	8.9 Å²	8.9	3%	0.032	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.5	-17.4	179.8	-66.6	81.1	0	0	0	114.2	Y132 N136 L241 D426 I431	Y132-H429 PolarHBondContact OH-O 2.91Å; N136-H429 PolarHBondContact ND2-O 3.45Å; L241-H429 WeakPolarHBondContact CD2-CE1 3.36Å; D426-H429 PolarHBondContact O-N 2.89Å; D426-H429 WeakPolarHBondContact OD2-CB 3.3Å; D426-H429 IonicContact OD2-CG 3.08Å; D426-H429 PolarHBondContact OD2-N 2.93Å; D426-H429 IonicContact OD2-ND1 3.61Å; D426-H429 PolarHBondContact OD2-ND1 3.29Å; H429-I431 HydrophobicContact CB-CD1 4.48Å; H429-I431 HydrophobicContact CB-CG1 4.03Å
430	N	98.1	Very high	95.6	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.051	C	C	.	.			trans	53.9	52.7	-171.1	-162.3	26.5	0	0	0	114	Y83 H87 F282 S383 L425 D426	Y83-N430 WeakPolarHBondContact OH-CB 3.16Å; Y83-N430 PolarHBondContact OH-ND2 3.21Å; Y83-N430 PolarHBondContact OH-O 3.47Å; H87-N430 PolarHBondContact CD2-O 2.63Å; H87-N430 PolarHBondContact CE1-O 2.93Å; H87-N430 VanDerWaalsContact CE1-O 3.27Å; H87-N430 PolarHBondContact NE2-O 3.49Å; H87-N430 VanDerWaalsContact NE2-O 3.12Å; H87-N430 PolarHBondContact NE2-OD1 2.97Å; F282-N430 HydrophobicContact CE1-CB 3.87Å; F282-N430 HydrophobicContact CE2-CB 3.84Å; F282-N430 WeakPolarHBondContact CE2-OD1 3.47Å; F282-N430 HydrophobicContact CZ-CB 3.37Å; S383-N430 WeakPolarHBondContact CB-OD1 3.47Å; S383-N430 PolarHBondContact OG-ND2 3.4Å; S383-N430 PolarHBondContact OG-OD1 2.85Å; L425-N430 WeakPolarHBondContact CD2-OD1 3.44Å; D426-N430 WeakPolarHBondContact O-CA 3.45Å; D426-N430 PolarHBondContact O-N 3Å
431	I	97.1	Very high	95.7	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.058	C	C	.	.	S	Bend	trans	-133.7	156.8	168.7	59.4	174.5	0	0	0	109	Y83 N136 A139 L191 L425 D426 H429 L436	Y83-I431 HydrophobicContact CE2-CG2 4.17Å; N136-I431 HydrophobicContact CB-CG2 3.8Å; A139-I431 HydrophobicContact CB-CD1 4.22Å; L191-I431 HydrophobicContact CD1-CD1 4Å; L191-I431 HydrophobicContact CD2-CD1 3.96Å; L425-I431 CarbonylContact C-O 3.51Å; L425-I431 WeakPolarHBondContact CA-O 3.44Å; D426-I431 PolarHBondContact N-O 3.13Å; H429-I431 HydrophobicContact CB-CD1 4.48Å; H429-I431 HydrophobicContact CB-CG1 4.03Å; I431-L436 HydrophobicContact CD1-CB 3.89Å; I431-L436 HydrophobicContact CD1-CD1 4.17Å; I431-L436 HydrophobicContact CG1-CB 4.15Å
432	V	96.3	Very high	95.8	Very high	4 Å²	4	7 Å²	7	2%	0.024	4%	0.041	C	C	.	.	B	Isolated β-bridge	trans	-63.5	144.2	175.8	178.9	0	0	0	0	110.6	R90 L91 V423 D434 G435 L436	R90-V432 HydrophobicContact CB-CG2 3.97Å; L91-V432 HydrophobicContact CD2-CG2 4.33Å; V423-V432 HydrophobicContact CG1-CG1 3.48Å; V423-V432 VanDerWaalsContact CG1-CG1 3.48Å; V423-V432 HydrophobicContact CG1-CG2 4.26Å; V432-D434 WeakPolarHBondContact CG1-OD1 3.27Å; V432-D434 PolarHBondContact O-N 3.33Å; V432-G435 PolarHBondContact O-N 3.18Å; V432-G435 VanDerWaalsContact O-N 3.11Å; V432-L436 PolarHBondContact O-N 3.3Å; V432-L436 VanDerWaalsContact O-N 3.11Å
433	H	94.2	Very high	95.9	Very high	3 Å²	3	7 Å²	7	1%	0.014	4%	0.041	C	C	.	.	H	α-helix	trans	-56.5	-31.2	-174.7	-80	-84.5	0	0	0	114.4	R393 P405 P407 D424 L425 L436 A437	R393-H433 PolarHBondContact NH1-NE2 2.61Å; P405-H433 PolarHBondContact O-CE1 3.06Å; P405-H433 PolarHBondContact O-ND1 2.71Å; P407-H433 HydrophobicContact CB-CB 4.25Å; P407-H433 HydrophobicContact CG-CB 4.43Å; D424-H433 IonicContact OD2-CD2 2.75Å; D424-H433 IonicContact OD2-NE2 2.65Å; D424-H433 PolarHBondContact OD2-NE2 3.3Å; L425-H433 PolarHBondContact O-NE2 3.13Å; L425-H433 VanDerWaalsContact O-NE2 3.12Å; H433-L436 PolarHBondContact O-N 2.99Å; H433-A437 VanDerWaalsContact O-CB 3.27Å; H433-A437 WeakPolarHBondContact O-CB 3.2Å; H433-A437 PolarHBondContact O-N 3.48Å
434	D	94.7	Very high	96	Very high	10 Å²	10	8.3 Å²	8.3	5%	0.053	5%	0.051	C	C	.	.	H	α-helix	trans	-70.9	-40	177.5	66.5	-12.8	0	0	0	112.7	R90 V432 A437 F438 A463 S467	R90-D434 IonicContact CZ-OD1 3.91Å; R90-D434 IonicContact CZ-OD2 2.63Å; R90-D434 IonicContact NH2-OD1 2.7Å; R90-D434 PolarHBondContact NH2-OD1 3.27Å; R90-D434 IonicContact NH2-OD2 2.67Å; R90-D434 PolarHBondContact NH2-OD2 2.91Å; V432-D434 WeakPolarHBondContact CG1-OD1 3.27Å; V432-D434 PolarHBondContact O-N 3.33Å; D434-A437 PolarHBondContact O-N 2.87Å; D434-F438 VanDerWaalsContact O-CB 3.25Å; D434-F438 WeakPolarHBondContact O-CB 3.43Å; D434-F438 PolarHBondContact O-N 3.21Å; D434-A463 HydrophobicContact CB-CB 4.17Å; D434-S467 PolarHBondContact OD2-OG 3.02Å
435	G	96.1	Very high	96.1	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-62.9	-40.9	171.3	0	0	0	0	0	112.4	A139 C142 V432 T439	A139-G435 WeakPolarHBondContact O-CA 3.27Å; C142-G435 VanDerWaalsContact SG-CA 3.57Å; V432-G435 PolarHBondContact O-N 3.18Å; V432-G435 VanDerWaalsContact O-N 3.11Å; G435-T439 VanDerWaalsContact O-CB 3.28Å; G435-T439 WeakPolarHBondContact O-CB 3.44Å; G435-T439 PolarHBondContact O-N 3.35Å; G435-T439 VanDerWaalsContact O-N 3.09Å; G435-T439 PolarHBondContact O-OG1 2.67Å
436	L	95.3	Very high	96.1	Very high	5 Å²	5	11.9 Å²	11.9	3%	0.026	7%	0.068	C	C	.	.	H	α-helix	trans	-60.5	-51	171.9	-179.5	65.4	0	0	0	111.2	L191 L404 P405 D426 I431 V432 H433 T439 V440	L191-L436 HydrophobicContact CD1-CD1 3.65Å; L404-L436 HydrophobicContact CD2-CD2 4.34Å; L404-L436 HydrophobicContact CD2-CG 3.99Å; P405-L436 HydrophobicContact CB-CD2 4.42Å; P405-L436 HydrophobicContact CG-CD2 4.05Å; D426-L436 HydrophobicContact CB-CD2 3.78Å; I431-L436 HydrophobicContact CD1-CB 3.89Å; I431-L436 HydrophobicContact CD1-CD1 4.17Å; I431-L436 HydrophobicContact CG1-CB 4.15Å; V432-L436 PolarHBondContact O-N 3.3Å; V432-L436 VanDerWaalsContact O-N 3.11Å; H433-L436 PolarHBondContact O-N 2.99Å; L436-T439 PolarHBondContact O-N 2.92Å; L436-V440 HydrophobicContact CD1-CG2 3.99Å; L436-V440 WeakPolarHBondContact O-CG2 3.38Å; L436-V440 PolarHBondContact O-N 2.97Å
437	A	94.6	Very high	96.2	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.008	9%	0.086	C	C	.	.	H	α-helix	trans	-65.1	-42.9	-176.9	0	0	0	0	0	113.1	L404 H433 D434 T439 T441 Y466	L404-A437 HydrophobicContact CD1-CB 3.78Å; H433-A437 VanDerWaalsContact O-CB 3.27Å; H433-A437 WeakPolarHBondContact O-CB 3.2Å; H433-A437 PolarHBondContact O-N 3.48Å; D434-A437 PolarHBondContact O-N 2.87Å; A437-T439 VanDerWaalsContact C-N 3.33Å; A437-T439 PolarHBondContact O-N 3.33Å; A437-T441 WeakPolarHBondContact O-CB 3.39Å; A437-T441 PolarHBondContact O-N 2.99Å; A437-T441 VanDerWaalsContact O-N 3.1Å; A437-T441 PolarHBondContact O-OG1 3.41Å; A437-Y466 HydrophobicContact CB-CD2 3.28Å; A437-Y466 HydrophobicContact CB-CE2 3.41Å; A437-Y466 VanDerWaalsContact CB-CE2 3.41Å
438	F	96.9	Very high	96.3	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-55.1	-52.5	173	-175.5	-91.2	0	0	0	110.2	C142 L147 D434 Y442 A459 L460 A463	C142-F438 HydrophobicContact CB-CB 4.43Å; C142-F438 HydrophobicContact CB-CD2 4.28Å; C142-F438 HydrophobicContact CB-CG 4.17Å; L147-F438 HydrophobicContact CD1-CD1 3.71Å; L147-F438 HydrophobicContact CD1-CE1 3.52Å; L147-F438 HydrophobicContact CG-CE1 4.15Å; D434-F438 VanDerWaalsContact O-CB 3.25Å; D434-F438 WeakPolarHBondContact O-CB 3.43Å; D434-F438 PolarHBondContact O-N 3.21Å; F438-Y442 VanDerWaalsContact O-CB 3.23Å; F438-Y442 WeakPolarHBondContact O-CB 3.3Å; F438-Y442 PolarHBondContact O-N 3.27Å; F438-A459 HydrophobicContact CD2-CB 3.66Å; F438-A459 HydrophobicContact CE2-CB 3.72Å; F438-A459 HydrophobicContact CG-CB 4.1Å; F438-A459 HydrophobicContact CZ-CB 4.22Å; F438-A459 WeakPolarHBondContact O-CB 3.43Å; F438-L460 HydrophobicContact CD2-CD2 4.17Å; F438-L460 HydrophobicContact CE2-CD2 3.74Å; F438-L460 HydrophobicContact CE2-CG 3.93Å; F438-A463 HydrophobicContact CB-CB 4.01Å; F438-A463 HydrophobicContact CD2-CB 4.36Å
439	T	97.4	Very high	96.3	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-69.3	-47.6	-170	-54.9	0	0	0	0	112.7	A139 L147 L191 G435 L436 A437 Y442 F443	A139-T439 WeakPolarHBondContact CA-OG1 3.27Å; A139-T439 HydrophobicContact CB-CG2 4.15Å; A139-T439 VanDerWaalsContact CB-OG1 3.23Å; A139-T439 WeakPolarHBondContact CB-OG1 3.46Å; L147-T439 HydrophobicContact CD1-CG2 3.97Å; L147-T439 HydrophobicContact CD2-CG2 3.85Å; L191-T439 HydrophobicContact CD1-CG2 3.74Å; L191-T439 HydrophobicContact CG-CG2 3.78Å; G435-T439 VanDerWaalsContact O-CB 3.28Å; G435-T439 WeakPolarHBondContact O-CB 3.44Å; G435-T439 PolarHBondContact O-N 3.35Å; G435-T439 VanDerWaalsContact O-N 3.09Å; G435-T439 PolarHBondContact O-OG1 2.67Å; L436-T439 PolarHBondContact O-N 2.92Å; A437-T439 VanDerWaalsContact C-N 3.33Å; A437-T439 PolarHBondContact O-N 3.33Å; T439-Y442 PolarHBondContact O-N 3.01Å; T439-F443 HydrophobicContact CG2-CD2 3.81Å; T439-F443 HydrophobicContact CG2-CE2 3.64Å; T439-F443 VanDerWaalsContact O-CD2 3.3Å; T439-F443 WeakPolarHBondContact O-CD2 3.34Å; T439-F443 PolarHBondContact O-N 2.88Å; T439-F443 VanDerWaalsContact O-N 3.13Å
440	V	95.6	Very high	96.3	Very high	46 Å²	46	27.9 Å²	27.9	28%	0.279	16%	0.16	S	C	.	.	H	α-helix	trans	-65.7	-41.2	178.8	173.3	0	0	0	0	111.1	L191 L404 L436 S444	L191-V440 HydrophobicContact CD1-CG2 4.17Å; L404-V440 HydrophobicContact CD2-CB 3.75Å; L404-V440 HydrophobicContact CD2-CG1 3.91Å; L404-V440 HydrophobicContact CD2-CG2 3.86Å; L436-V440 HydrophobicContact CD1-CG2 3.99Å; L436-V440 WeakPolarHBondContact O-CG2 3.38Å; L436-V440 PolarHBondContact O-N 2.97Å; V440-S444 WeakPolarHBondContact O-CB 3.43Å; V440-S444 PolarHBondContact O-N 3.32Å
441	T	95.8	Very high	96.3	Very high	24 Å²	24	30.2 Å²	30.2	15%	0.147	18%	0.176	C	C	.	.	H	α-helix	trans	-64.2	-48	177	-55.8	0	0	0	0	110.3	A437 F443 S444 E445 L458 A459 A462	A437-T441 WeakPolarHBondContact O-CB 3.39Å; A437-T441 PolarHBondContact O-N 2.99Å; A437-T441 VanDerWaalsContact O-N 3.1Å; A437-T441 PolarHBondContact O-OG1 3.41Å; T441-F443 PolarHBondContact O-N 3.29Å; T441-S444 PolarHBondContact O-N 3.32Å; T441-E445 HydrophobicContact CG2-CG 4.16Å; T441-E445 WeakPolarHBondContact O-CB 3.17Å; T441-E445 WeakPolarHBondContact O-CG 3.42Å; T441-E445 PolarHBondContact O-N 2.82Å; T441-L458 HydrophobicContact CG2-CB 4.31Å; T441-A459 HydrophobicContact CG2-CB 4.39Å; T441-A462 HydrophobicContact CG2-CB 4.13Å; T441-A462 WeakPolarHBondContact OG1-CB 3.44Å
442	Y	98	Very high	96.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-55.4	-54	-179	-176.9	-110.7	0	0	0	112.2	R144 L147 D148 F438 T439 S444 E445 L446 A455 E456	R144-Y442 HydrophobicContact CG-CE1 4.44Å; R144-Y442 HydrophobicContact CG-CE2 3.62Å; R144-Y442 WeakPolarHBondContact CG-OH 3.35Å; L147-Y442 HydrophobicContact CB-CD1 3.8Å; L147-Y442 HydrophobicContact CB-CE1 3.86Å; L147-Y442 HydrophobicContact CD1-CD1 3.5Å; L147-Y442 HydrophobicContact CD1-CE1 4.37Å; L147-Y442 HydrophobicContact CD1-CG 3.9Å; L147-Y442 HydrophobicContact CG-CD1 4.31Å; D148-Y442 PolarHBondContact OD1-OH 3.2Å; F438-Y442 VanDerWaalsContact O-CB 3.23Å; F438-Y442 WeakPolarHBondContact O-CB 3.3Å; F438-Y442 PolarHBondContact O-N 3.27Å; T439-Y442 PolarHBondContact O-N 3.01Å; Y442-S444 PolarHBondContact O-N 3.03Å; Y442-E445 PolarHBondContact O-N 3.04Å; Y442-L446 HydrophobicContact CD1-CD1 3.99Å; Y442-L446 HydrophobicContact CE1-CD1 3.42Å; Y442-L446 VanDerWaalsContact CE1-CD1 3.42Å; Y442-L446 HydrophobicContact CE1-CG 4.22Å; Y442-L446 HydrophobicContact CE2-CD1 4.37Å; Y442-L446 HydrophobicContact CE2-CG 4.36Å; Y442-L446 WeakPolarHBondContact O-CG 3.4Å; Y442-L446 PolarHBondContact O-N 2.92Å; Y442-A455 HydrophobicContact CD2-CB 3.71Å; Y442-A455 HydrophobicContact CE2-CB 3.71Å; Y442-E456 HydrophobicContact CE2-CB 4.42Å
443	F	97.6	Very high	96.4	Very high	5 Å²	5	38.9 Å²	38.9	2%	0.022	22%	0.22	C	C	.	.	H	α-helix	trans	-68.7	-34.3	-179.4	-69.8	-55	0	0	0	113.1	L147 I150 R152 T192 T439 T441 L446 D447	L147-F443 HydrophobicContact CB-CE1 4.35Å; L147-F443 HydrophobicContact CB-CE2 4.38Å; L147-F443 HydrophobicContact CB-CZ 3.81Å; L147-F443 HydrophobicContact CD1-CE2 4.18Å; L147-F443 HydrophobicContact CD1-CZ 4.38Å; L147-F443 HydrophobicContact CD2-CE2 4.16Å; L147-F443 HydrophobicContact CD2-CZ 4.29Å; L147-F443 HydrophobicContact CG-CE2 4.48Å; L147-F443 HydrophobicContact CG-CZ 4.38Å; I150-F443 HydrophobicContact CD1-CZ 4.15Å; R152-F443 HydrophobicContact CG-CE1 4.34Å; T192-F443 HydrophobicContact CG2-CE2 4.08Å; T439-F443 HydrophobicContact CG2-CD2 3.81Å; T439-F443 HydrophobicContact CG2-CE2 3.64Å; T439-F443 VanDerWaalsContact O-CD2 3.3Å; T439-F443 WeakPolarHBondContact O-CD2 3.34Å; T439-F443 PolarHBondContact O-N 2.88Å; T439-F443 VanDerWaalsContact O-N 3.13Å; T441-F443 PolarHBondContact O-N 3.29Å; F443-L446 HydrophobicContact CD1-CD1 4.15Å; F443-L446 PolarHBondContact O-N 3.4Å; F443-D447 WeakPolarHBondContact O-CB 3.29Å; F443-D447 VanDerWaalsContact O-CG 3.31Å; F443-D447 PolarHBondContact O-N 3.03Å
444	S	96	Very high	96.5	Very high	39 Å²	39	42.1 Å²	42.1	27%	0.273	24%	0.237	S	C	.	.	H	α-helix	trans	-63.2	-42.9	174	179.9	0	0	0	0	111.8	V440 T441 Y442 D447 N448	V440-S444 WeakPolarHBondContact O-CB 3.43Å; V440-S444 PolarHBondContact O-N 3.32Å; T441-S444 PolarHBondContact O-N 3.32Å; Y442-S444 PolarHBondContact O-N 3.03Å; S444-D447 PolarHBondContact O-N 3.02Å; S444-N448 WeakPolarHBondContact O-CB 3.39Å; S444-N448 VanDerWaalsContact O-CG 3.25Å; S444-N448 PolarHBondContact O-N 3.13Å; S444-N448 PolarHBondContact O-ND2 3.13Å
445	E	97.1	Very high	96.7	Very high	32 Å²	32	41.6 Å²	41.6	15%	0.15	24%	0.235	C	C	.	.	H	α-helix	trans	-69.9	-35.6	178.9	-67.3	-48.5	121.2	0	0	112.3	T441 Y442 N448 G449 R450 A455 L458	T441-E445 HydrophobicContact CG2-CG 4.16Å; T441-E445 WeakPolarHBondContact O-CB 3.17Å; T441-E445 WeakPolarHBondContact O-CG 3.42Å; T441-E445 PolarHBondContact O-N 2.82Å; Y442-E445 PolarHBondContact O-N 3.04Å; E445-N448 PolarHBondContact O-N 3.3Å; E445-G449 PolarHBondContact O-N 2.93Å; E445-R450 HydrophobicContact CB-CB 4.41Å; E445-R450 HydrophobicContact CB-CG 4.4Å; E445-R450 WeakPolarHBondContact O-CB 3.23Å; E445-R450 PolarHBondContact O-N 2.9Å; E445-R450 WeakPolarHBondContact OE2-CD 3.45Å; E445-R450 IonicContact OE2-CZ 3.52Å; E445-R450 IonicContact OE2-NE 3.32Å; E445-R450 PolarHBondContact OE2-NE 3.09Å; E445-R450 IonicContact OE2-NH2 3.83Å; E445-A455 HydrophobicContact CB-CB 3.72Å; E445-L458 HydrophobicContact CG-CB 4.31Å; E445-L458 HydrophobicContact CG-CD1 3.85Å
446	L	96.9	Very high	96.8	Very high	49 Å²	49	43.9 Å²	43.9	26%	0.257	25%	0.245	S	C	.	.	H	α-helix	trans	-61.2	-45.9	169.6	-73.7	-176.7	0	0	0	111.8	Y442 F443 N448 G449 P452 A455	Y442-L446 HydrophobicContact CD1-CD1 3.99Å; Y442-L446 HydrophobicContact CE1-CD1 3.42Å; Y442-L446 VanDerWaalsContact CE1-CD1 3.42Å; Y442-L446 HydrophobicContact CE1-CG 4.22Å; Y442-L446 HydrophobicContact CE2-CD1 4.37Å; Y442-L446 HydrophobicContact CE2-CG 4.36Å; Y442-L446 WeakPolarHBondContact O-CG 3.4Å; Y442-L446 PolarHBondContact O-N 2.92Å; F443-L446 HydrophobicContact CD1-CD1 4.15Å; F443-L446 PolarHBondContact O-N 3.4Å; L446-N448 PolarHBondContact O-N 3.03Å; L446-G449 PolarHBondContact O-N 2.74Å; L446-P452 HydrophobicContact CD2-CB 4.37Å; L446-P452 HydrophobicContact CD2-CG 4.13Å; L446-A455 HydrophobicContact CD2-CB 4.14Å; L446-A455 HydrophobicContact CG-CB 4.25Å
447	D	95.9	Very high	96.9	Very high	71 Å²	71	48.7 Å²	48.7	38%	0.38	27%	0.268	S	S	.	.	H	α-helix	trans	-64.8	-27.5	177.8	-73.7	-21.3	0	0	0	112.4	R152 F443 S444 G449	R152-D447 IonicContact CZ-OD1 3.53Å; R152-D447 IonicContact CZ-OD2 3.6Å; R152-D447 IonicContact NH1-OD1 3.11Å; R152-D447 PolarHBondContact NH1-OD1 2.68Å; R152-D447 IonicContact NH1-OD2 3.72Å; R152-D447 IonicContact NH2-OD1 2.62Å; R152-D447 PolarHBondContact NH2-OD1 2.88Å; R152-D447 IonicContact NH2-OD2 3.41Å; R152-D447 PolarHBondContact NH2-OD2 2.78Å; F443-D447 WeakPolarHBondContact O-CB 3.29Å; F443-D447 VanDerWaalsContact O-CG 3.31Å; F443-D447 PolarHBondContact O-N 3.03Å; S444-D447 PolarHBondContact O-N 3.02Å; D447-G449 PolarHBondContact O-N 3.2Å
448	N	96.1	Very high	97	Very high	103 Å²	103	52 Å²	52	55%	0.551	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	4	172	-69.7	-30.8	0	0	0	113.6	S444 E445 L446	S444-N448 WeakPolarHBondContact O-CB 3.39Å; S444-N448 VanDerWaalsContact O-CG 3.25Å; S444-N448 PolarHBondContact O-N 3.13Å; S444-N448 PolarHBondContact O-ND2 3.13Å; E445-N448 PolarHBondContact O-N 3.3Å; L446-N448 PolarHBondContact O-N 3.03Å
449	G	96.8	Very high	97	Very high	69 Å²	69	52 Å²	52	71%	0.711	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.7	15.1	174.7	0	0	0	0	0	115.2	E445 L446 D447	E445-G449 PolarHBondContact O-N 2.93Å; L446-G449 PolarHBondContact O-N 2.74Å; D447-G449 PolarHBondContact O-N 3.2Å
450	R	96.9	Very high	96.9	Very high	125 Å²	125	56 Å²	56	47%	0.472	31%	0.306	S	S	.	.			trans	-70.7	155.7	172.5	-65.6	-158.3	-173.8	-99.9	-0	111.5	E445 D454	E445-R450 HydrophobicContact CB-CB 4.41Å; E445-R450 HydrophobicContact CB-CG 4.4Å; E445-R450 WeakPolarHBondContact O-CB 3.23Å; E445-R450 PolarHBondContact O-N 2.9Å; E445-R450 WeakPolarHBondContact OE2-CD 3.45Å; E445-R450 IonicContact OE2-CZ 3.52Å; E445-R450 IonicContact OE2-NE 3.32Å; E445-R450 PolarHBondContact OE2-NE 3.09Å; E445-R450 IonicContact OE2-NH2 3.83Å; R450-D454 HydrophobicContact CB-CB 4.38Å
451	S	97.5	Very high	96.9	Very high	48 Å²	48	56.1 Å²	56.1	34%	0.336	31%	0.312	S	S	.	.			trans	-66	151.1	170.4	79.5	0	0	0	0	110.2	K453 D454 A455	S451-K453 PolarHBondContact O-N 3.47Å; S451-K453 VanDerWaalsContact O-N 3.12Å; S451-D454 PolarHBondContact O-N 3.4Å; S451-D454 VanDerWaalsContact O-N 3.11Å; S451-D454 PolarHBondContact OG-N 2.86Å; S451-D454 PolarHBondContact OG-OD2 3.48Å; S451-A455 WeakPolarHBondContact O-CB 3.45Å; S451-A455 PolarHBondContact O-N 3.02Å
452	P	97.2	Very high	96.7	Very high	63 Å²	63	55.6 Å²	55.6	41%	0.409	31%	0.31	S	S	.	.	H	α-helix	trans	-53.8	-32.5	176.1	-29.6	36.1	0	0	0	114	R144 L446 E456	R144-P452 WeakPolarHBondContact CD-O 3.43Å; L446-P452 HydrophobicContact CD2-CB 4.37Å; L446-P452 HydrophobicContact CD2-CG 4.13Å; P452-E456 WeakPolarHBondContact O-CB 3.38Å; P452-E456 PolarHBondContact O-N 2.93Å
453	K	97.2	Very high	96.5	Very high	124 Å²	124	55.9 Å²	55.9	54%	0.539	31%	0.312	S	S	.	.	H	α-helix	trans	-70.5	-46	177.8	-171.2	-175	174	-167.8	0	112	S451 A455 E456 E457	S451-K453 PolarHBondContact O-N 3.47Å; S451-K453 VanDerWaalsContact O-N 3.12Å; K453-A455 VanDerWaalsContact C-N 3.31Å; K453-A455 PolarHBondContact O-N 3.43Å; K453-E456 PolarHBondContact O-N 3.01Å; K453-E457 WeakPolarHBondContact CE-OE1 3.25Å; K453-E457 PolarHBondContact O-N 3.48Å
454	D	97.6	Very high	96.2	Very high	70 Å²	70	62.8 Å²	62.8	37%	0.374	34%	0.344	S	S	.	.	H	α-helix	trans	-67.7	-35.9	178.9	-54.5	-40.6	0	0	0	111.1	R450 S451 E457 L458	R450-D454 HydrophobicContact CB-CB 4.38Å; S451-D454 PolarHBondContact O-N 3.4Å; S451-D454 VanDerWaalsContact O-N 3.11Å; S451-D454 PolarHBondContact OG-N 2.86Å; S451-D454 PolarHBondContact OG-OD2 3.48Å; D454-E457 PolarHBondContact O-N 3.49Å; D454-L458 WeakPolarHBondContact O-CG 3.42Å; D454-L458 PolarHBondContact O-N 3.41Å
455	A	97.9	Very high	95.8	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-63.5	-41.5	174.3	0	0	0	0	0	111.6	Y442 E445 L446 S451 K453 L458 A459	Y442-A455 HydrophobicContact CD2-CB 3.71Å; Y442-A455 HydrophobicContact CE2-CB 3.71Å; E445-A455 HydrophobicContact CB-CB 3.72Å; L446-A455 HydrophobicContact CD2-CB 4.14Å; L446-A455 HydrophobicContact CG-CB 4.25Å; S451-A455 WeakPolarHBondContact O-CB 3.45Å; S451-A455 PolarHBondContact O-N 3.02Å; K453-A455 VanDerWaalsContact C-N 3.31Å; K453-A455 PolarHBondContact O-N 3.43Å; A455-L458 PolarHBondContact O-N 3Å; A455-A459 VanDerWaalsContact O-CB 3.23Å; A455-A459 WeakPolarHBondContact O-CB 3.37Å; A455-A459 PolarHBondContact O-N 2.86Å
456	E	98	Very high	95.1	Very high	47 Å²	47	68.9 Å²	68.9	22%	0.22	37%	0.365	C	S	.	.	H	α-helix	trans	-62.6	-45.5	174.8	175.8	177.1	-144.9	0	0	112.1	R144 Y442 P452 K453 L458 A459 L460	R144-E456 HydrophobicContact CB-CB 4.14Å; R144-E456 VanDerWaalsContact CB-CD 3.45Å; R144-E456 HydrophobicContact CB-CG 3.95Å; R144-E456 VanDerWaalsContact CB-OE1 3.29Å; R144-E456 WeakPolarHBondContact CB-OE1 3.37Å; R144-E456 WeakPolarHBondContact CD-OE2 3.41Å; R144-E456 HydrophobicContact CG-CB 4.2Å; R144-E456 IonicContact CZ-OE2 3.51Å; R144-E456 IonicContact NE-OE2 3.98Å; R144-E456 IonicContact NH1-OE2 3.41Å; R144-E456 PolarHBondContact NH1-OE2 2.64Å; Y442-E456 HydrophobicContact CE2-CB 4.42Å; P452-E456 WeakPolarHBondContact O-CB 3.38Å; P452-E456 PolarHBondContact O-N 2.93Å; K453-E456 PolarHBondContact O-N 3.01Å; E456-L458 VanDerWaalsContact C-N 3.32Å; E456-L458 PolarHBondContact O-N 3.32Å; E456-A459 PolarHBondContact O-N 2.91Å; E456-L460 HydrophobicContact CG-CD1 4.11Å; E456-L460 HydrophobicContact CG-CG 4.43Å; E456-L460 WeakPolarHBondContact O-CG 3.43Å; E456-L460 PolarHBondContact O-N 3.49Å
457	E	97.6	Very high	94.3	Very high	107 Å²	107	69.1 Å²	69.1	50%	0.5	37%	0.37	S	S	.	.	H	α-helix	trans	-59.2	-42.9	178.4	-73	177.1	-168.9	0	0	111.7	K453 D454 A461	K453-E457 WeakPolarHBondContact CE-OE1 3.25Å; K453-E457 PolarHBondContact O-N 3.48Å; D454-E457 PolarHBondContact O-N 3.49Å; E457-A461 PolarHBondContact O-N 2.93Å; E457-A461 VanDerWaalsContact O-N 3.14Å
458	L	96.7	Very high	93.2	Very high	69 Å²	69	68.7 Å²	68.7	36%	0.361	37%	0.371	S	S	.	.	H	α-helix	trans	-70	-38.4	176.2	-68.9	172.5	0	0	0	112.6	T441 E445 D454 A455 E456 A461 A462	T441-L458 HydrophobicContact CG2-CB 4.31Å; E445-L458 HydrophobicContact CG-CB 4.31Å; E445-L458 HydrophobicContact CG-CD1 3.85Å; D454-L458 WeakPolarHBondContact O-CG 3.42Å; D454-L458 PolarHBondContact O-N 3.41Å; A455-L458 PolarHBondContact O-N 3Å; E456-L458 VanDerWaalsContact C-N 3.32Å; E456-L458 PolarHBondContact O-N 3.32Å; L458-A461 PolarHBondContact O-N 3.02Å; L458-A462 WeakPolarHBondContact O-CB 3.4Å; L458-A462 PolarHBondContact O-N 3.07Å
459	A	96.6	Very high	91.6	Very high	0 Å²	0	69 Å²	69	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-64.9	-41.5	176.8	0	0	0	0	0	112.1	F438 T441 A455 E456 A462 A463	F438-A459 HydrophobicContact CD2-CB 3.66Å; F438-A459 HydrophobicContact CE2-CB 3.72Å; F438-A459 HydrophobicContact CG-CB 4.1Å; F438-A459 HydrophobicContact CZ-CB 4.22Å; F438-A459 WeakPolarHBondContact O-CB 3.43Å; T441-A459 HydrophobicContact CG2-CB 4.39Å; A455-A459 VanDerWaalsContact O-CB 3.23Å; A455-A459 WeakPolarHBondContact O-CB 3.37Å; A455-A459 PolarHBondContact O-N 2.86Å; E456-A459 PolarHBondContact O-N 2.91Å; A459-A462 PolarHBondContact O-N 3.31Å; A459-A463 WeakPolarHBondContact O-CB 3.41Å; A459-A463 PolarHBondContact O-N 3Å
460	L	96.4	Very high	89.7	Confident	84 Å²	84	68.7 Å²	68.7	44%	0.44	37%	0.369	S	S	.	.	H	α-helix	trans	-61.9	-45.3	173.4	-72.2	171.6	0	0	0	111.3	F438 E456 A462 A463 E464	F438-L460 HydrophobicContact CD2-CD2 4.17Å; F438-L460 HydrophobicContact CE2-CD2 3.74Å; F438-L460 HydrophobicContact CE2-CG 3.93Å; E456-L460 HydrophobicContact CG-CD1 4.11Å; E456-L460 HydrophobicContact CG-CG 4.43Å; E456-L460 WeakPolarHBondContact O-CG 3.43Å; E456-L460 PolarHBondContact O-N 3.49Å; L460-A462 VanDerWaalsContact C-N 3.27Å; L460-A462 PolarHBondContact O-N 2.75Å; L460-A463 PolarHBondContact O-N 2.97Å; L460-E464 WeakPolarHBondContact O-CB 3.43Å; L460-E464 PolarHBondContact O-N 3.41Å
461	A	94.9	Very high	87.5	Confident	49 Å²	49	67.1 Å²	67.1	41%	0.405	37%	0.369	S	S	.	.	H	α-helix	trans	-65.1	-29.7	177	0	0	0	0	0	113.1	E457 L458	E457-A461 PolarHBondContact O-N 2.93Å; E457-A461 VanDerWaalsContact O-N 3.14Å; L458-A461 PolarHBondContact O-N 3.02Å
462	A	92.8	Very high	84.7	Confident	14 Å²	14	67.2 Å²	67.2	12%	0.116	37%	0.37	C	S	.	.	H	α-helix	trans	-72.7	-43.5	172.5	0	0	0	0	0	111.7	T441 L458 A459 L460 K465 Y466	T441-A462 HydrophobicContact CG2-CB 4.13Å; T441-A462 WeakPolarHBondContact OG1-CB 3.44Å; L458-A462 WeakPolarHBondContact O-CB 3.4Å; L458-A462 PolarHBondContact O-N 3.07Å; A459-A462 PolarHBondContact O-N 3.31Å; L460-A462 VanDerWaalsContact C-N 3.27Å; L460-A462 PolarHBondContact O-N 2.75Å; A462-K465 PolarHBondContact O-N 2.92Å; A462-Y466 WeakPolarHBondContact O-CD2 3.24Å; A462-Y466 WeakPolarHBondContact O-CE2 3.08Å
463	A	93.2	Very high	82.3	Confident	5 Å²	5	66.2 Å²	66.2	4%	0.041	36%	0.363	C	S	.	.	H	α-helix	trans	-63.3	-42.8	178.5	0	0	0	0	0	112.4	D434 F438 A459 L460 K465 Y466 S467	D434-A463 HydrophobicContact CB-CB 4.17Å; F438-A463 HydrophobicContact CB-CB 4.01Å; F438-A463 HydrophobicContact CD2-CB 4.36Å; A459-A463 WeakPolarHBondContact O-CB 3.41Å; A459-A463 PolarHBondContact O-N 3Å; L460-A463 PolarHBondContact O-N 2.97Å; A463-K465 PolarHBondContact O-N 3Å; A463-K465 VanDerWaalsContact O-N 3.15Å; A463-Y466 CarbonylContact O-C 3.52Å; A463-Y466 PolarHBondContact O-N 2.65Å; A463-S467 PolarHBondContact O-N 3.01Å; A463-S467 PolarHBondContact O-OG 2.79Å
464	E	91.7	Very high	79.6	Confident	150 Å²	150	67.6 Å²	67.6	70%	0.701	37%	0.369	S	S	*	.	H	α-helix	trans	-57.8	-30.7	-179.1	-173.6	176.6	-164.9	0	0	112.9	L460 Y466 S467	L460-E464 WeakPolarHBondContact O-CB 3.43Å; L460-E464 PolarHBondContact O-N 3.41Å; E464-Y466 PolarHBondContact O-N 2.95Å; E464-S467 PolarHBondContact O-N 3.34Å
465	K	86.2	Confident	76.8	Confident	161 Å²	161	72.1 Å²	72.1	70%	0.7	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-21.5	175.6	-65.8	175.4	-176.1	176.6	0	113.4	A462 A463	A462-K465 PolarHBondContact O-N 2.92Å; A463-K465 PolarHBondContact O-N 3Å; A463-K465 VanDerWaalsContact O-N 3.15Å
466	Y	83.5	Confident	74	Confident	39 Å²	39	80.3 Å²	80.3	15%	0.153	42%	0.423	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.4	-6.8	-175.5	-51.8	-56.6	0	0	0	113.1	H406 P407 A437 A462 A463 E464 V468	H406-Y466 AromaticContact CD2-CE1 3.63Å; H406-Y466 AromaticContact NE2-CE1 3.98Å; P407-Y466 HydrophobicContact CG-CD1 3.71Å; P407-Y466 HydrophobicContact CG-CG 4.37Å; A437-Y466 HydrophobicContact CB-CD2 3.28Å; A437-Y466 HydrophobicContact CB-CE2 3.41Å; A437-Y466 VanDerWaalsContact CB-CE2 3.41Å; A462-Y466 WeakPolarHBondContact O-CD2 3.24Å; A462-Y466 WeakPolarHBondContact O-CE2 3.08Å; A463-Y466 CarbonylContact O-C 3.52Å; A463-Y466 PolarHBondContact O-N 2.65Å; E464-Y466 PolarHBondContact O-N 2.95Å; Y466-V468 PolarHBondContact O-N 2.94Å
467	S	79.5	Confident	71.5	Confident	53 Å²	53	81.5 Å²	81.5	37%	0.371	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-70.1	128.6	176.4	-65.7	0	0	0	0	110.5	D434 A463 E464	D434-S467 PolarHBondContact OD2-OG 3.02Å; A463-S467 PolarHBondContact O-N 3.01Å; A463-S467 PolarHBondContact O-OG 2.79Å; E464-S467 PolarHBondContact O-N 3.34Å
468	V	73.4	Confident	68.5	Low	63 Å²	63	85.5 Å²	85.5	38%	0.382	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-82.8	129.8	168.3	-176.7	0	0	0	0	107.7	V423 Y466 A470	V423-V468 HydrophobicContact CG1-CG2 4.02Å; Y466-V468 PolarHBondContact O-N 2.94Å; V468-A470 PolarHBondContact O-N 2.94Å
469	P	62.2	Low	65.5	Low	109 Å²	109	86.9 Å²	86.9	71%	0.708	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-52.1	133	173.6	-25.7	34	0	0	0	110.1	N93 L471	N93-P469 PolarHBondContact ND2-O 3.08Å; P469-L471 PolarHBondContact O-N 3.05Å
470	A	56.7	Low	62.7	Low	63 Å²	63	90.5 Å²	90.5	52%	0.521	48%	0.479	S	S	.	.			trans	-56.7	109.2	178.4	0	0	0	0	0	109	N93 V95 V468 S472	N93-A470 WeakPolarHBondContact ND2-CA 3.12Å; V95-A470 HydrophobicContact CG2-CB 4.32Å; V468-A470 PolarHBondContact O-N 2.94Å; A470-S472 PolarHBondContact O-N 3.41Å; A470-S472 VanDerWaalsContact O-N 3.15Å
471	L	50.3	Low	59.7	Low	92 Å²	92	93 Å²	93	48%	0.482	50%	0.498	S	S	.	.			trans	-62.8	120.9	168.7	-74.5	170.1	0	0	0	105.2	N93 P469 V473	N93-L471 PolarHBondContact ND2-N 3.35Å; P469-L471 PolarHBondContact O-N 3.05Å; L471-V473 PolarHBondContact O-N 3.25Å
472	S	39.2	Very low	56.6	Low	50 Å²	50	99 Å²	99	35%	0.35	52%	0.518	S	S	.	.			trans	-62.3	97	170.9	57	0	0	0	0	107.2	A470 F474 Q475	A470-S472 PolarHBondContact O-N 3.41Å; A470-S472 VanDerWaalsContact O-N 3.15Å; S472-F474 PolarHBondContact O-N 2.98Å; S472-Q475 PolarHBondContact O-N 3.34Å; S472-Q475 WeakPolarHBondContact OG-CB 3.18Å; S472-Q475 WeakPolarHBondContact OG-CG 2.88Å; S472-Q475 PolarHBondContact OG-OE1 3.24Å
473	V	46.5	Very low	53.7	Low	42 Å²	42	104.2 Å²	104.2	26%	0.255	54%	0.543	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-22.5	175.1	-175.5	0	0	0	0	110.1	K53 I54 L471	K53-V473 HydrophobicContact CB-CG1 4.49Å; I54-V473 HydrophobicContact CD1-CG1 4.35Å; I54-V473 HydrophobicContact CG1-CG1 3.76Å; L471-V473 PolarHBondContact O-N 3.25Å
474	F	41	Very low	50.7	Low	153 Å²	153	110.3 Å²	110.3	67%	0.671	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	-15.6	179.1	-58.9	-70.5	0	0	0	117.6	I54 S472	I54-F474 HydrophobicContact CD1-CD1 4.46Å; I54-F474 HydrophobicContact CD1-CE1 4.2Å; S472-F474 PolarHBondContact O-N 2.98Å
475	Q	37.9	Very low	47.7	Very low	164 Å²	164	110.2 Å²	110.2	77%	0.766	58%	0.58	S	S	*	*	S	Bend	trans	-80.7	-20.3	-171.2	-78	176.6	-0.9	0	0	114.8	S472	S472-Q475 PolarHBondContact O-N 3.34Å; S472-Q475 WeakPolarHBondContact OG-CB 3.18Å; S472-Q475 WeakPolarHBondContact OG-CG 2.88Å; S472-Q475 PolarHBondContact OG-OE1 3.24Å
476	K	41	Very low	45.1	Very low	173 Å²	173	111.4 Å²	111.4	75%	0.752	58%	0.581	S	S	*	*	S	Bend	trans	-101.3	-10.3	177.8	-85	-175.4	176	-179.5	0	115.5
477	Q	44.1	Very low	42.5	Very low	71 Å²	71	116.3 Å²	116.3	33%	0.332	61%	0.61	S	S	.	*	S	Bend	trans	-94.9	-1.2	-174.4	-90.8	175.6	-25.4	0	0	115.7	S479	Q477-S479 PolarHBondContact O-N 3.49Å; Q477-S479 VanDerWaalsContact O-N 3.13Å
478	K	34.1	Very low	40.2	Very low	191 Å²	191	120.5 Å²	120.5	83%	0.83	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.6	1.4	-179.5	-91	-173.7	175.4	-178.5	0	115.7
479	S	33.8	Very low	38.1	Very low	99 Å²	99	121.3 Å²	121.3	69%	0.692	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.8	3.7	-179	69.2	0	0	0	0	115.6	Q477	Q477-S479 PolarHBondContact O-N 3.49Å; Q477-S479 VanDerWaalsContact O-N 3.13Å
480	L	38.1	Very low	36.6	Very low	76 Å²	76	123.1 Å²	123.1	40%	0.398	65%	0.646	S	S	.	*			trans	-113.3	8.4	-169.9	-76.2	163.6	0	0	0	115.5	E482 I483	L480-E482 PolarHBondContact O-N 3.45Å; L480-I483 HydrophobicContact CD2-CD1 3.76Å
481	T	33.4	Very low	35.5	Very low	137 Å²	137	127.5 Å²	127.5	84%	0.84	66%	0.66	S	S	*	*	S	Bend	trans	-79.8	9.5	173.5	35.4	0	0	0	0	114.6
482	E	29.7	Very low	34.4	Very low	175 Å²	175	132.6 Å²	132.6	82%	0.818	68%	0.682	S	S	*	*			trans	-128.2	73.4	176.7	-69.7	-175.9	173.5	0	0	111	L480	L480-E482 PolarHBondContact O-N 3.45Å
483	I	31.7	Very low	34.2	Very low	123 Å²	123	137.4 Å²	137.4	63%	0.631	70%	0.702	S	S	*	*			trans	-131.8	96.6	165.4	-57.8	-178.2	0	0	0	110.2	L480	L480-I483 HydrophobicContact CD2-CD1 3.76Å
484	H	32	Very low	33.4	Very low	133 Å²	133	143.1 Å²	143.1	62%	0.616	73%	0.731	S	S	*	*			trans	30.8	108.2	141.3	-67.3	-76.1	0	0	0	119.4	Y486	H484-Y486 HydrophobicContact CB-CD2 3.5Å; H484-Y486 VanDerWaalsContact CB-CD2 3.5Å; H484-Y486 HydrophobicContact CB-CE2 3.33Å; H484-Y486 AromaticContact CG-CE2 3.75Å; H484-Y486 PolarHBondContact O-N 3.38Å
485	T	28.1	Very low	33.1	Very low	148 Å²	148	141.8 Å²	141.8	91%	0.908	74%	0.735	S	S	*	*			trans	-56.6	100.6	145.4	48.2	0	0	0	0	109
486	Y	31.3	Very low	32.8	Very low	185 Å²	185	139.3 Å²	139.3	73%	0.725	73%	0.734	S	S	*	*			trans	-91.7	117.6	167	-87.3	-78.8	0	0	0	109.8	H484 T488	H484-Y486 HydrophobicContact CB-CD2 3.5Å; H484-Y486 VanDerWaalsContact CB-CD2 3.5Å; H484-Y486 HydrophobicContact CB-CE2 3.33Å; H484-Y486 AromaticContact CG-CE2 3.75Å; H484-Y486 PolarHBondContact O-N 3.38Å; Y486-T488 PolarHBondContact O-N 3.47Å
487	D	29.5	Very low	32.1	Very low	142 Å²	142	140 Å²	140	76%	0.759	74%	0.74	S	S	*	*			trans	-61.5	119.7	172.5	-158.2	-8.6	0	0	0	109.7	S489	D487-S489 PolarHBondContact O-N 3.28Å
488	T	31.1	Very low	31.8	Very low	142 Å²	142	144.9 Å²	144.9	87%	0.871	76%	0.762	S	S	*	*			trans	-88.6	80.7	176.2	52.9	0	0	0	0	109.2	Y486	Y486-T488 PolarHBondContact O-N 3.47Å
489	S	28.9	Very low	31.7	Very low	80 Å²	80	146 Å²	146	56%	0.559	76%	0.762	S	S	*	*			trans	-128.4	138.4	156.4	46.9	0	0	0	0	108	D487	D487-S489 PolarHBondContact O-N 3.28Å
490	D	29.4	Very low	31.4	Very low	147 Å²	147	150 Å²	150	79%	0.786	77%	0.77	S	S	*	*			trans	75.8	90.2	174	-51.2	-22.8	0	0	0	116.6
491	N	34.2	Very low	31.2	Very low	154 Å²	154	151.7 Å²	151.7	82%	0.824	79%	0.788	S	S	*	*				-172.9	94.4	129.7	-90.8	-36.9	0	0	0	110.2	I493	N491-I493 PolarHBondContact O-N 3.28Å
492	E	28.3	Very low	31	Very low	200 Å²	200	153 Å²	153	94%	0.935	79%	0.787	S	S	*	*			trans	-65.8	119.3	160.8	-72.4	-178.9	149.3	0	0	109.1
493	I	34.9	Very low	31.1	Very low	150 Å²	150	151.1 Å²	151.1	77%	0.769	78%	0.782	S	S	*	*			trans	-126.2	115.2	163.9	-58.2	-176.9	0	0	0	108.5	N491	N491-I493 PolarHBondContact O-N 3.28Å
494	N	29.6	Very low	30.9	Very low	162 Å²	162	151 Å²	151	87%	0.866	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-53.4	125.6	178.8	-82.7	-49.7	0	0	0	113.1
495	V	33.8	Very low	30.6	Very low	125 Å²	125	150 Å²	150	76%	0.758	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-100.4	131.8	160.9	-178.7	0	0	0	0	108.2	Q497	V495-Q497 PolarHBondContact O-N 3.07Å
496	P	31.1	Very low	30.6	Very low	113 Å²	113	148.3 Å²	148.3	73%	0.734	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-69.2	126.1	-177	-13.4	27.7	0	0	0	112
497	Q	27.5	Very low	30.4	Very low	188 Å²	188	145.4 Å²	145.4	88%	0.879	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-73.6	122.7	166.5	-71.5	177.7	-22.7	0	0	110	V495	V495-Q497 PolarHBondContact O-N 3.07Å
498	H	36.4	Very low	30.9	Very low	173 Å²	173	147.3 Å²	147.3	80%	0.801	81%	0.806	S	S	*	*			trans	-119.7	104.2	160.2	-100	-60.5	0	0	0	111.3
499	Y	33.4	Very low	30.9	Very low	215 Å²	215	147.6 Å²	147.6	84%	0.843	80%	0.802	S	S	*	*			trans	42.6	127	138.5	-80.1	-90.9	0	0	0	122.8
500	Q	28	Very low	31	Very low	183 Å²	183	151.2 Å²	151.2	86%	0.855	82%	0.815	S	S	*	*			trans	-68.7	146.6	171.6	-63.4	165.6	-40.2	0	0	114.4
501	S	33.7	Very low	31	Very low	111 Å²	111	151.4 Å²	151.4	78%	0.776	82%	0.817	S	S	*	*			trans	-164.1	101.7	131.3	63.2	0	0	0	0	108.6
502	M	29.5	Very low	30.9	Very low	165 Å²	165	151.2 Å²	151.2	81%	0.813	82%	0.816	S	S	*	*				68	121.8	93.6	-82.1	-144.8	-92.3	0	0	117.2
503	N	30.5	Very low	31	Very low	134 Å²	134	148.2 Å²	148.2	72%	0.717	81%	0.809	S	S	*	*			trans	86.2	137.4	151.3	-58.1	-15.3	0	0	0	117.7
504	T	27.7	Very low	30.8	Very low	120 Å²	120	148.1 Å²	148.1	74%	0.736	81%	0.812	S	S	*	*			cis	-176.9	153.3	-8.1	24.1	0	0	0	0	108.1
505	C	25.9	Very low	30.8	Very low	113 Å²	113	147.1 Å²	147.1	76%	0.764	81%	0.808	S	S	*	*			trans	85.4	101	150.8	-84.7	0	0	0	0	122.9
506	T	28.5	Very low	30.6	Very low	113 Å²	113	148.8 Å²	148.8	69%	0.693	81%	0.812	S	S	*	*				34.7	138.1	111	56	0	0	0	0	119.1
507	T	27.3	Very low	30.6	Very low	124 Å²	124	151.8 Å²	151.8	76%	0.761	82%	0.818	S	S	*	*			cis	173.9	174.4	29.3	16.8	0	0	0	0	107.2
508	P	38.5	Very low	30.8	Very low	182 Å²	182	148.5 Å²	148.5	100%	1.182	81%	0.813	S	S	*	*			cis	-92	0	2.2	4.4	17.1	0	0	0	114.2

Retrieved 508 of 508 residues in 154.9 ms (Link to these results)

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