A0A096N7X5_PAPAN Loading...

Adenylate kinase isoenzyme 5

Nucleoside monophosphate (NMP) kinase that catalyzes the reversible transfer of the terminal phosphate group between nucleoside triphosphates and monophosphates. Active on AMP and dAMP with ATP as a donor. When GTP is used as phosphate donor, the enzyme phosphorylates AMP, CMP, and to a small extent dCMP. Also displays broad nucleoside diphosphate kinase activity.

AlphaFold DB , UniProt , Accession A0A096N7X5, Species PAPAN (Papio anubis, Olive baboon), Gene AK5, Length 562 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	52.5	Low	70.7	Confident	183 Å²	183	99.3 Å²	99.3	90%	0.901	52%	0.524	S	S	*	.				0	115.2	0	-99.6	174.8	162.3	0	0	107.7	D5	M1-D5 HydrophobicContact CG-CB 4.4Å
2	N	66.5	Low	71.2	Confident	88 Å²	88	106.6 Å²	106.6	47%	0.471	54%	0.539	S	S	.	.			trans	-68.5	150.2	167.5	173.1	-5.9	0	0	0	108.5	N4 D5 A6	N2-N4 PolarHBondContact O-N 3.38Å; N2-N4 VanDerWaalsContact O-N 3.1Å; N2-N4 PolarHBondContact OD1-N 2.66Å; N2-N4 VanDerWaalsContact OD1-N 3.13Å; N2-D5 WeakPolarHBondContact CB-OD2 3.47Å; N2-D5 PolarHBondContact N-OD2 3.05Å; N2-D5 WeakPolarHBondContact O-CB 3.29Å; N2-D5 PolarHBondContact O-N 3.07Å; N2-A6 PolarHBondContact O-N 3.43Å; N2-A6 VanDerWaalsContact O-N 3.13Å
3	T	66.1	Low	71.6	Confident	102 Å²	102	109.8 Å²	109.8	63%	0.626	54%	0.541	S	S	*	.	H	α-helix	trans	-47.1	-32.5	171	54.9	0	0	0	0	114.2	K7	T3-K7 WeakPolarHBondContact O-CG 3.49Å; T3-K7 PolarHBondContact O-N 3.18Å
4	N	69.6	Low	72.2	Confident	99 Å²	99	106.8 Å²	106.8	53%	0.529	52%	0.524	S	S	.	.	H	α-helix	trans	-71.1	-39.9	174.9	-74	-17.3	0	0	0	112.6	N2 A6 K7 E8	N2-N4 PolarHBondContact O-N 3.38Å; N2-N4 VanDerWaalsContact O-N 3.1Å; N2-N4 PolarHBondContact OD1-N 2.66Å; N2-N4 VanDerWaalsContact OD1-N 3.13Å; N4-A6 VanDerWaalsContact C-N 3.29Å; N4-A6 PolarHBondContact O-N 2.78Å; N4-K7 PolarHBondContact O-N 3.38Å; N4-E8 WeakPolarHBondContact O-CB 3.29Å; N4-E8 PolarHBondContact O-N 3.35Å
5	D	73.1	Confident	72.8	Confident	78 Å²	78	102.2 Å²	102.2	42%	0.417	50%	0.502	S	S	.	.	H	α-helix	trans	-64.5	-36.4	176.6	-50.1	-26.5	0	0	0	111.2	M1 N2 Y9	M1-D5 HydrophobicContact CG-CB 4.4Å; N2-D5 WeakPolarHBondContact CB-OD2 3.47Å; N2-D5 PolarHBondContact N-OD2 3.05Å; N2-D5 WeakPolarHBondContact O-CB 3.29Å; N2-D5 PolarHBondContact O-N 3.07Å; D5-Y9 VanDerWaalsContact O-CB 3.22Å; D5-Y9 WeakPolarHBondContact O-CB 3.5Å; D5-Y9 PolarHBondContact O-N 3.35Å
6	A	68.1	Low	73.4	Confident	37 Å²	37	101.1 Å²	101.1	31%	0.306	51%	0.505	S	S	.	.	H	α-helix	trans	-67.3	-44.2	176.8	0	0	0	0	0	111.7	N2 N4 Y9 L10	N2-A6 PolarHBondContact O-N 3.43Å; N2-A6 VanDerWaalsContact O-N 3.13Å; N4-A6 VanDerWaalsContact C-N 3.29Å; N4-A6 PolarHBondContact O-N 2.78Å; A6-Y9 PolarHBondContact O-N 3.43Å; A6-L10 VanDerWaalsContact O-CG 3.23Å; A6-L10 WeakPolarHBondContact O-CG 3.47Å; A6-L10 PolarHBondContact O-N 3.22Å
7	K	71.3	Confident	74	Confident	145 Å²	145	99.6 Å²	99.6	63%	0.63	50%	0.496	S	S	*	.	H	α-helix	trans	-63.5	-42.3	176.1	-75.7	-180	179.3	178.9	0	112	T3 N4 L10 A11	T3-K7 WeakPolarHBondContact O-CG 3.49Å; T3-K7 PolarHBondContact O-N 3.18Å; N4-K7 PolarHBondContact O-N 3.38Å; K7-L10 PolarHBondContact O-N 2.98Å; K7-A11 WeakPolarHBondContact O-CB 3.37Å; K7-A11 PolarHBondContact O-N 3.27Å
8	E	77.9	Confident	74.6	Confident	93 Å²	93	95.1 Å²	95.1	44%	0.435	47%	0.474	S	S	.	.	H	α-helix	trans	-67.8	-38.2	178.4	-167.6	173.9	177.4	0	0	111.8	N4 R12	N4-E8 WeakPolarHBondContact O-CB 3.29Å; N4-E8 PolarHBondContact O-N 3.35Å; E8-R12 HydrophobicContact CG-CG 4.39Å; E8-R12 VanDerWaalsContact O-CB 3.29Å; E8-R12 WeakPolarHBondContact O-CB 3.45Å; E8-R12 VanDerWaalsContact O-CG 3.25Å; E8-R12 WeakPolarHBondContact O-CG 3.17Å; E8-R12 PolarHBondContact O-N 2.86Å; E8-R12 IonicContact OE1-CZ 3.13Å; E8-R12 IonicContact OE1-NE 3.2Å; E8-R12 PolarHBondContact OE1-NE 3.08Å; E8-R12 IonicContact OE1-NH2 3.57Å; E8-R12 PolarHBondContact OE1-NH2 3.26Å
9	Y	76.7	Confident	75.2	Confident	121 Å²	121	96.8 Å²	96.8	48%	0.475	48%	0.479	S	S	.	.	H	α-helix	trans	-61.5	-47.4	173.3	179.1	-90	0	0	0	112.3	D5 A6 R13 I15	D5-Y9 VanDerWaalsContact O-CB 3.22Å; D5-Y9 WeakPolarHBondContact O-CB 3.5Å; D5-Y9 PolarHBondContact O-N 3.35Å; A6-Y9 PolarHBondContact O-N 3.43Å; Y9-R13 WeakPolarHBondContact O-CB 3.43Å; Y9-R13 WeakPolarHBondContact O-CG 3.1Å; Y9-R13 PolarHBondContact O-N 3.23Å; Y9-I15 HydrophobicContact CE1-CD1 4.29Å
10	L	78.9	Confident	75.7	Confident	78 Å²	78	97.5 Å²	97.5	41%	0.408	48%	0.481	S	S	.	.	H	α-helix	trans	-64.2	-41.2	179.5	-69.7	173.5	0	0	0	111.9	A6 K7 E14 I15	A6-L10 VanDerWaalsContact O-CG 3.23Å; A6-L10 WeakPolarHBondContact O-CG 3.47Å; A6-L10 PolarHBondContact O-N 3.22Å; K7-L10 PolarHBondContact O-N 2.98Å; L10-E14 PolarHBondContact O-N 3.05Å; L10-I15 HydrophobicContact CD2-CB 4Å; L10-I15 HydrophobicContact CD2-CD1 3.93Å; L10-I15 HydrophobicContact CD2-CG1 4.34Å; L10-I15 HydrophobicContact CD2-CG2 3.93Å; L10-I15 PolarHBondContact O-N 3.36Å; L10-I15 VanDerWaalsContact O-N 3.14Å
11	A	76.8	Confident	76.2	Confident	68 Å²	68	92.9 Å²	92.9	56%	0.562	46%	0.458	S	S	*	.	H	α-helix	trans	-68.6	-45.6	178.4	0	0	0	0	0	112.1	K7 R13 E14	K7-A11 WeakPolarHBondContact O-CB 3.37Å; K7-A11 PolarHBondContact O-N 3.27Å; A11-R13 PolarHBondContact O-N 3.44Å; A11-E14 PolarHBondContact O-N 2.98Å
12	R	77.4	Confident	77.9	Confident	187 Å²	187	84.7 Å²	84.7	71%	0.706	42%	0.418	S	S	*	.	H	α-helix	trans	-64.2	-19.9	178.8	-77.3	-179.5	-179.9	-164.5	0.5	114.1	E8	E8-R12 HydrophobicContact CG-CG 4.39Å; E8-R12 VanDerWaalsContact O-CB 3.29Å; E8-R12 WeakPolarHBondContact O-CB 3.45Å; E8-R12 VanDerWaalsContact O-CG 3.25Å; E8-R12 WeakPolarHBondContact O-CG 3.17Å; E8-R12 PolarHBondContact O-N 2.86Å; E8-R12 IonicContact OE1-CZ 3.13Å; E8-R12 IonicContact OE1-NE 3.2Å; E8-R12 PolarHBondContact OE1-NE 3.08Å; E8-R12 IonicContact OE1-NH2 3.57Å; E8-R12 PolarHBondContact OE1-NH2 3.26Å
13	R	75.4	Confident	78.9	Confident	149 Å²	149	85.1 Å²	85.1	56%	0.562	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	8.3	-178.7	-69.8	-68.4	-168.4	-176.7	0.9	113	Y9 A11 I15 C51	Y9-R13 WeakPolarHBondContact O-CB 3.43Å; Y9-R13 WeakPolarHBondContact O-CG 3.1Å; Y9-R13 PolarHBondContact O-N 3.23Å; A11-R13 PolarHBondContact O-N 3.44Å; R13-I15 HydrophobicContact CB-CD1 4.05Å; R13-I15 HydrophobicContact CB-CG1 3.65Å; R13-I15 PolarHBondContact O-N 2.85Å; R13-C51 VanDerWaalsContact O-CB 3.28Å; R13-C51 WeakPolarHBondContact O-CB 3.14Å
14	E	80	Confident	79.7	Confident	67 Å²	67	82 Å²	82	31%	0.313	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.2	32.8	-177.5	-60.9	-165.7	177.5	0	0	113.6	L10 A11 Q17 L18 C51 D52	L10-E14 PolarHBondContact O-N 3.05Å; A11-E14 PolarHBondContact O-N 2.98Å; E14-Q17 PolarHBondContact O-N 3.14Å; E14-Q17 PolarHBondContact OE2-OE1 2.66Å; E14-L18 PolarHBondContact O-N 2.8Å; E14-L18 VanDerWaalsContact O-N 3.11Å; E14-C51 HydrophobicContact CB-CB 4.33Å; E14-D52 WeakPolarHBondContact OE2-CA 3.36Å
15	I	81.1	Confident	80.5	Confident	38 Å²	38	77.3 Å²	77.3	20%	0.195	37%	0.374	C	S	.	.	H	α-helix	trans	-61.9	-40.8	-175	-62.3	-158.8	0	0	0	112.4	Y9 L10 R13 Q17 L18 F19	Y9-I15 HydrophobicContact CE1-CD1 4.29Å; L10-I15 HydrophobicContact CD2-CB 4Å; L10-I15 HydrophobicContact CD2-CD1 3.93Å; L10-I15 HydrophobicContact CD2-CG1 4.34Å; L10-I15 HydrophobicContact CD2-CG2 3.93Å; L10-I15 PolarHBondContact O-N 3.36Å; L10-I15 VanDerWaalsContact O-N 3.14Å; R13-I15 HydrophobicContact CB-CD1 4.05Å; R13-I15 HydrophobicContact CB-CG1 3.65Å; R13-I15 PolarHBondContact O-N 2.85Å; I15-Q17 VanDerWaalsContact C-N 3.31Å; I15-Q17 PolarHBondContact O-N 3.35Å; I15-L18 WeakPolarHBondContact O-CB 2.98Å; I15-L18 PolarHBondContact O-N 3.29Å; I15-F19 HydrophobicContact CG2-CD2 3.57Å; I15-F19 HydrophobicContact CG2-CE2 3.57Å; I15-F19 WeakPolarHBondContact O-CD2 3.42Å; I15-F19 PolarHBondContact O-N 3.13Å
16	P	83.7	Confident	81	Confident	84 Å²	84	75.2 Å²	75.2	55%	0.545	36%	0.362	S	S	.	.	H	α-helix	trans	-57.7	-40.8	175.7	-26.6	36.2	0	0	0	113.7	F19 E20	P16-F19 PolarHBondContact O-N 2.89Å; P16-E20 PolarHBondContact O-N 2.86Å
17	Q	82.4	Confident	81.7	Confident	76 Å²	76	79.3 Å²	79.3	36%	0.355	38%	0.377	S	S	.	.	H	α-helix	trans	-70.2	-35.9	-179.9	-178.2	171.2	-22.2	0	0	112	E14 I15 S21 V54	E14-Q17 PolarHBondContact O-N 3.14Å; E14-Q17 PolarHBondContact OE2-OE1 2.66Å; I15-Q17 VanDerWaalsContact C-N 3.31Å; I15-Q17 PolarHBondContact O-N 3.35Å; Q17-S21 WeakPolarHBondContact O-CB 3.19Å; Q17-S21 PolarHBondContact O-N 3.38Å; Q17-V54 PolarHBondContact NE2-O 3.38Å
18	L	85.7	Confident	82	Confident	18 Å²	18	76.3 Å²	76.3	9%	0.094	37%	0.373	C	S	.	.	H	α-helix	trans	-61.1	-48.2	170.3	174.1	61.5	0	0	0	111.4	E14 I15 E20 S21 L22 L42 V45 V54	E14-L18 PolarHBondContact O-N 2.8Å; E14-L18 VanDerWaalsContact O-N 3.11Å; I15-L18 WeakPolarHBondContact O-CB 2.98Å; I15-L18 PolarHBondContact O-N 3.29Å; L18-E20 VanDerWaalsContact C-N 3.35Å; L18-E20 PolarHBondContact O-N 3.42Å; L18-S21 PolarHBondContact O-N 3.08Å; L18-L22 HydrophobicContact CD1-CD1 3.89Å; L18-L22 HydrophobicContact CD1-CG 4.04Å; L18-L22 HydrophobicContact CG-CD1 3.92Å; L18-L22 HydrophobicContact CG-CG 4.47Å; L18-L22 WeakPolarHBondContact O-CB 3.46Å; L18-L22 VanDerWaalsContact O-CG 3.25Å; L18-L22 WeakPolarHBondContact O-CG 3.39Å; L18-L22 PolarHBondContact O-N 2.68Å; L18-L42 HydrophobicContact CD1-CD2 4.47Å; L18-L42 HydrophobicContact CD2-CD2 4.16Å; L18-V45 HydrophobicContact CD1-CG1 4.31Å; L18-V45 HydrophobicContact CD1-CG2 3.64Å; L18-V54 HydrophobicContact CD1-CG2 4.45Å
19	F	85.8	Confident	81.8	Confident	129 Å²	129	74 Å²	74	57%	0.566	37%	0.367	S	S	*	.	H	α-helix	trans	-61	-43.2	178.6	-93.1	-82.6	0	0	0	112.2	I15 P16 S21 L22 L23	I15-F19 HydrophobicContact CG2-CD2 3.57Å; I15-F19 HydrophobicContact CG2-CE2 3.57Å; I15-F19 WeakPolarHBondContact O-CD2 3.42Å; I15-F19 PolarHBondContact O-N 3.13Å; P16-F19 PolarHBondContact O-N 2.89Å; F19-S21 PolarHBondContact O-N 3.09Å; F19-L22 PolarHBondContact O-N 2.97Å; F19-L23 WeakPolarHBondContact O-CB 3.33Å; F19-L23 VanDerWaalsContact O-CG 3.28Å; F19-L23 WeakPolarHBondContact O-CG 3.47Å; F19-L23 PolarHBondContact O-N 2.84Å
20	E	84.8	Confident	82	Confident	110 Å²	110	76.5 Å²	76.5	51%	0.514	38%	0.381	S	S	.	.	H	α-helix	trans	-61.3	-44.7	177.7	-171.2	178.3	176.8	0	0	111.9	P16 L18 L23 N24	P16-E20 PolarHBondContact O-N 2.86Å; L18-E20 VanDerWaalsContact C-N 3.35Å; L18-E20 PolarHBondContact O-N 3.42Å; E20-L23 PolarHBondContact O-N 2.58Å; E20-N24 WeakPolarHBondContact O-CB 3.36Å; E20-N24 VanDerWaalsContact O-CG 3.32Å; E20-N24 PolarHBondContact O-N 2.88Å; E20-N24 PolarHBondContact O-ND2 2.89Å
21	S	87	Confident	82.2	Confident	0 Å²	0	74.4 Å²	74.4	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-64.1	-42.3	177.7	-167.3	0	0	0	0	112.7	Q17 L18 F19 G25 V54 K55 F59	Q17-S21 WeakPolarHBondContact O-CB 3.19Å; Q17-S21 PolarHBondContact O-N 3.38Å; L18-S21 PolarHBondContact O-N 3.08Å; F19-S21 PolarHBondContact O-N 3.09Å; S21-G25 PolarHBondContact O-N 3.18Å; S21-V54 WeakPolarHBondContact OG-CG1 3.39Å; S21-K55 WeakPolarHBondContact CB-O 3.44Å; S21-K55 PolarHBondContact OG-O 3.28Å; S21-F59 VanDerWaalsContact OG-CD2 3.27Å; S21-F59 WeakPolarHBondContact OG-CD2 3.31Å
22	L	88.2	Confident	82.2	Confident	12 Å²	12	81 Å²	81	6%	0.063	39%	0.39	C	S	.	.	H	α-helix	trans	-65.3	-43.8	177.6	-70.9	173.1	0	0	0	112.2	L18 F19 G25 L26 L38 C41 L42 F59	L18-L22 HydrophobicContact CD1-CD1 3.89Å; L18-L22 HydrophobicContact CD1-CG 4.04Å; L18-L22 HydrophobicContact CG-CD1 3.92Å; L18-L22 HydrophobicContact CG-CG 4.47Å; L18-L22 WeakPolarHBondContact O-CB 3.46Å; L18-L22 VanDerWaalsContact O-CG 3.25Å; L18-L22 WeakPolarHBondContact O-CG 3.39Å; L18-L22 PolarHBondContact O-N 2.68Å; F19-L22 PolarHBondContact O-N 2.97Å; L22-G25 PolarHBondContact O-N 3.05Å; L22-L26 PolarHBondContact O-N 2.86Å; L22-L38 HydrophobicContact CB-CD2 3.83Å; L22-L38 HydrophobicContact CD1-CD2 4.43Å; L22-L38 HydrophobicContact CD2-CD2 4.06Å; L22-L38 HydrophobicContact CG-CD2 4.33Å; L22-C41 HydrophobicContact CD2-CB 3.22Å; L22-L42 HydrophobicContact CD1-CD2 3.9Å; L22-L42 HydrophobicContact CD1-CG 4.39Å; L22-F59 HydrophobicContact CD2-CD2 4.18Å; L22-F59 HydrophobicContact CD2-CE2 3.94Å; L22-F59 HydrophobicContact CD2-CZ 4.46Å
23	L	86.4	Confident	82.7	Confident	96 Å²	96	75.7 Å²	75.7	50%	0.503	38%	0.376	S	S	.	.	H	α-helix	trans	-65.6	-41.9	177.8	-74.3	169.2	0	0	0	111.6	F19 E20 L26 M27	F19-L23 WeakPolarHBondContact O-CB 3.33Å; F19-L23 VanDerWaalsContact O-CG 3.28Å; F19-L23 WeakPolarHBondContact O-CG 3.47Å; F19-L23 PolarHBondContact O-N 2.84Å; E20-L23 PolarHBondContact O-N 2.58Å; L23-L26 PolarHBondContact O-N 2.92Å; L23-M27 WeakPolarHBondContact O-CG 3.28Å; L23-M27 PolarHBondContact O-N 2.96Å
24	N	83.9	Confident	83.2	Confident	38 Å²	38	71.7 Å²	71.7	20%	0.203	37%	0.37	C	S	.	.	H	α-helix	trans	-62.9	-42.6	174.9	-77	-20.3	0	0	0	111.7	E20 L26 M27 C28 V60	E20-N24 WeakPolarHBondContact O-CB 3.36Å; E20-N24 VanDerWaalsContact O-CG 3.32Å; E20-N24 PolarHBondContact O-N 2.88Å; E20-N24 PolarHBondContact O-ND2 2.89Å; N24-L26 PolarHBondContact O-N 3.13Å; N24-M27 PolarHBondContact O-N 3.3Å; N24-C28 WeakPolarHBondContact O-CB 3.19Å; N24-C28 PolarHBondContact O-N 2.98Å; N24-C28 PolarHBondContact O-SG 3.1Å; N24-C28 VanDerWaalsContact O-SG 3.34Å; N24-V60 HydrophobicContact CB-CG2 4.24Å
25	G	85.1	Confident	83.6	Confident	0 Å²	0	73.1 Å²	73.1	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-57.1	-48.5	173.4	0	0	0	0	0	112.5	S21 L22 C28 S29 Y37	S21-G25 PolarHBondContact O-N 3.18Å; L22-G25 PolarHBondContact O-N 3.05Å; G25-C28 PolarHBondContact O-N 3.45Å; G25-S29 WeakPolarHBondContact O-CB 3.48Å; G25-S29 PolarHBondContact O-N 3.24Å; G25-S29 PolarHBondContact O-OG 3.01Å; G25-Y37 WeakPolarHBondContact CA-OH 3.45Å; G25-Y37 PolarHBondContact O-OH 2.83Å
26	L	84.3	Confident	83.9	Confident	33 Å²	33	77.5 Å²	77.5	17%	0.173	40%	0.402	C	S	.	.	H	α-helix	trans	-60	-46.4	176.6	-85.2	173.4	0	0	0	112.9	L22 L23 N24 C28 K30 P31 P34 Y37 L38	L22-L26 PolarHBondContact O-N 2.86Å; L23-L26 PolarHBondContact O-N 2.92Å; N24-L26 PolarHBondContact O-N 3.13Å; L26-C28 VanDerWaalsContact C-N 3.34Å; L26-C28 PolarHBondContact O-N 2.95Å; L26-K30 WeakPolarHBondContact O-CA 3.23Å; L26-K30 PolarHBondContact O-N 3.17Å; L26-P31 HydrophobicContact CD2-CG 3.79Å; L26-P34 HydrophobicContact CD2-CB 3.87Å; L26-Y37 HydrophobicContact CD2-CD1 3.56Å; L26-Y37 HydrophobicContact CD2-CE1 4.13Å; L26-Y37 HydrophobicContact CD2-CG 4.39Å; L26-Y37 HydrophobicContact CG-CD1 3.96Å; L26-Y37 HydrophobicContact CG-CE1 4.12Å; L26-L38 HydrophobicContact CD1-CD1 3.84Å; L26-L38 HydrophobicContact CD1-CD2 3.58Å; L26-L38 HydrophobicContact CD1-CG 3.74Å; L26-L38 HydrophobicContact CD2-CG 4.34Å; L26-L38 HydrophobicContact CG-CD2 3.97Å; L26-L38 HydrophobicContact CG-CG 4.19Å
27	M	82.2	Confident	84.2	Confident	123 Å²	123	75.4 Å²	75.4	61%	0.606	38%	0.384	S	S	*	.	H	α-helix	trans	-66.3	-36.8	-178.8	-72	-160.5	-60.2	0	0	112.4	L23 N24 K30	L23-M27 WeakPolarHBondContact O-CG 3.28Å; L23-M27 PolarHBondContact O-N 2.96Å; N24-M27 PolarHBondContact O-N 3.3Å; M27-K30 WeakPolarHBondContact O-CG 3.47Å
28	C	77.8	Confident	84.5	Confident	83 Å²	83	74.4 Å²	74.4	56%	0.561	38%	0.381	S	S	*	.	H	α-helix	trans	-78.8	-40.7	-179.5	-70.9	0	0	0	0	112.9	N24 G25 L26 V60	N24-C28 WeakPolarHBondContact O-CB 3.19Å; N24-C28 PolarHBondContact O-N 2.98Å; N24-C28 PolarHBondContact O-SG 3.1Å; N24-C28 VanDerWaalsContact O-SG 3.34Å; G25-C28 PolarHBondContact O-N 3.45Å; L26-C28 VanDerWaalsContact C-N 3.34Å; L26-C28 PolarHBondContact O-N 2.95Å; C28-V60 HydrophobicContact CB-CG1 4.16Å
29	S	75.2	Confident	84.6	Confident	43 Å²	43	79.9 Å²	79.9	30%	0.301	41%	0.406	S	S	.	.	H	α-helix	trans	-87.7	-25.4	-175.2	61.7	0	0	0	0	114	G25 P31 Y37	G25-S29 WeakPolarHBondContact O-CB 3.48Å; G25-S29 PolarHBondContact O-N 3.24Å; G25-S29 PolarHBondContact O-OG 3.01Å; S29-P31 WeakPolarHBondContact OG-CD 3.5Å; S29-Y37 WeakPolarHBondContact OG-CE2 3.48Å; S29-Y37 VanDerWaalsContact OG-CZ 3.23Å; S29-Y37 PolarHBondContact OG-OH 2.85Å
30	K	80.4	Confident	84.7	Confident	175 Å²	175	76.8 Å²	76.8	76%	0.761	40%	0.4	S	S	*	.			trans	41.2	59.2	-177	-64.4	-173.8	179.3	-179.3	0	112.4	L26 M27	L26-K30 WeakPolarHBondContact O-CA 3.23Å; L26-K30 PolarHBondContact O-N 3.17Å; M27-K30 WeakPolarHBondContact O-CG 3.47Å
31	P	81.8	Confident	84.9	Confident	34 Å²	34	71.7 Å²	71.7	22%	0.221	38%	0.377	C	S	.	.			trans	-66.7	150.8	-176.3	32.1	-36.3	0	0	0	110.7	L26 S29 D33 Y37	L26-P31 HydrophobicContact CD2-CG 3.79Å; S29-P31 WeakPolarHBondContact OG-CD 3.5Å; P31-D33 VanDerWaalsContact C-N 3.28Å; P31-D33 PolarHBondContact O-N 3.16Å; P31-Y37 HydrophobicContact CB-CD2 4.04Å; P31-Y37 HydrophobicContact CB-CG 4.02Å; P31-Y37 HydrophobicContact CG-CD1 4.02Å; P31-Y37 HydrophobicContact CG-CD2 4.05Å; P31-Y37 HydrophobicContact CG-CG 3.62Å
32	E	77.1	Confident	85	Confident	205 Å²	205	75.3 Å²	75.3	96%	0.958	40%	0.395	S	S	*	.	S	Bend	trans	-64.5	-33.7	177.3	-66.3	-174.1	170.4	0	0	112.1
33	D	89	Confident	85.1	Confident	76 Å²	76	79.4 Å²	79.4	41%	0.406	41%	0.414	S	S	.	.			trans	-116.1	100.9	170	-167.3	-31.7	0	0	0	110.8	P31 V35 E36 Y37	P31-D33 VanDerWaalsContact C-N 3.28Å; P31-D33 PolarHBondContact O-N 3.16Å; D33-V35 VanDerWaalsContact C-N 3.29Å; D33-V35 PolarHBondContact O-N 2.93Å; D33-V35 PolarHBondContact OD1-N 3.35Å; D33-E36 HydrophobicContact CB-CB 4Å; D33-E36 PolarHBondContact OD1-N 3.06Å; D33-Y37 VanDerWaalsContact O-CB 3.31Å; D33-Y37 WeakPolarHBondContact O-CB 3.29Å; D33-Y37 PolarHBondContact O-N 2.86Å; D33-Y37 VanDerWaalsContact O-N 3.12Å
34	P	85.7	Confident	85.1	Confident	65 Å²	65	79.7 Å²	79.7	42%	0.422	41%	0.411	S	S	.	.	H	α-helix	trans	-64.4	-29.8	177.8	-24	34.9	0	0	0	114.1	L26 L38	L26-P34 HydrophobicContact CD2-CB 3.87Å; P34-L38 WeakPolarHBondContact O-CB 3.38Å; P34-L38 VanDerWaalsContact O-CG 3.23Å; P34-L38 WeakPolarHBondContact O-CG 3.36Å; P34-L38 PolarHBondContact O-N 3.08Å
35	V	87.3	Confident	85.4	Confident	97 Å²	97	78.1 Å²	78.1	59%	0.588	40%	0.404	S	S	*	.	H	α-helix	trans	-77.4	-48.7	-175.7	179.6	0	0	0	0	109.5	D33 Y37 L38 E39	D33-V35 VanDerWaalsContact C-N 3.29Å; D33-V35 PolarHBondContact O-N 2.93Å; D33-V35 PolarHBondContact OD1-N 3.35Å; V35-Y37 VanDerWaalsContact C-N 3.27Å; V35-Y37 PolarHBondContact O-N 3.37Å; V35-L38 PolarHBondContact O-N 3.14Å; V35-E39 WeakPolarHBondContact O-CG 3.5Å; V35-E39 PolarHBondContact O-N 3.49Å
36	E	88.8	Confident	85.5	Confident	130 Å²	130	85.3 Å²	85.3	61%	0.607	44%	0.435	S	S	*	.	H	α-helix	trans	-60.2	-39.9	175.2	-171.7	178.6	-166.9	0	0	111.1	D33 E39 S40	D33-E36 HydrophobicContact CB-CB 4Å; D33-E36 PolarHBondContact OD1-N 3.06Å; E36-E39 PolarHBondContact O-N 2.81Å; E36-S40 PolarHBondContact O-N 2.96Å
37	Y	88.6	Confident	85.6	Confident	41 Å²	41	90.6 Å²	90.6	16%	0.161	46%	0.459	C	S	.	.	H	α-helix	trans	-61.5	-46.6	174.7	178.7	-94.4	0	0	0	112.4	G25 L26 S29 P31 D33 V35 E39 S40 C41 F59	G25-Y37 WeakPolarHBondContact CA-OH 3.45Å; G25-Y37 PolarHBondContact O-OH 2.83Å; L26-Y37 HydrophobicContact CD2-CD1 3.56Å; L26-Y37 HydrophobicContact CD2-CE1 4.13Å; L26-Y37 HydrophobicContact CD2-CG 4.39Å; L26-Y37 HydrophobicContact CG-CD1 3.96Å; L26-Y37 HydrophobicContact CG-CE1 4.12Å; S29-Y37 WeakPolarHBondContact OG-CE2 3.48Å; S29-Y37 VanDerWaalsContact OG-CZ 3.23Å; S29-Y37 PolarHBondContact OG-OH 2.85Å; P31-Y37 HydrophobicContact CB-CD2 4.04Å; P31-Y37 HydrophobicContact CB-CG 4.02Å; P31-Y37 HydrophobicContact CG-CD1 4.02Å; P31-Y37 HydrophobicContact CG-CD2 4.05Å; P31-Y37 HydrophobicContact CG-CG 3.62Å; D33-Y37 VanDerWaalsContact O-CB 3.31Å; D33-Y37 WeakPolarHBondContact O-CB 3.29Å; D33-Y37 PolarHBondContact O-N 2.86Å; D33-Y37 VanDerWaalsContact O-N 3.12Å; V35-Y37 VanDerWaalsContact C-N 3.27Å; V35-Y37 PolarHBondContact O-N 3.37Å; Y37-E39 VanDerWaalsContact C-N 3.34Å; Y37-E39 PolarHBondContact O-N 3.42Å; Y37-S40 PolarHBondContact O-N 3.14Å; Y37-S40 PolarHBondContact O-OG 2.83Å; Y37-C41 WeakPolarHBondContact CE1-SG 3.07Å; Y37-C41 PolarHBondContact O-N 3.49Å; Y37-C41 PolarHBondContact O-SG 2.79Å; Y37-F59 PolarHBondContact OH-O 3.05Å
38	L	88.8	Confident	85.8	Confident	55 Å²	55	88.4 Å²	88.4	29%	0.288	45%	0.449	S	S	.	.	H	α-helix	trans	-63.1	-39.6	176.9	-77.6	175.7	0	0	0	112.2	L22 L26 P34 V35 C41 L42	L22-L38 HydrophobicContact CB-CD2 3.83Å; L22-L38 HydrophobicContact CD1-CD2 4.43Å; L22-L38 HydrophobicContact CD2-CD2 4.06Å; L22-L38 HydrophobicContact CG-CD2 4.33Å; L26-L38 HydrophobicContact CD1-CD1 3.84Å; L26-L38 HydrophobicContact CD1-CD2 3.58Å; L26-L38 HydrophobicContact CD1-CG 3.74Å; L26-L38 HydrophobicContact CD2-CG 4.34Å; L26-L38 HydrophobicContact CG-CD2 3.97Å; L26-L38 HydrophobicContact CG-CG 4.19Å; P34-L38 WeakPolarHBondContact O-CB 3.38Å; P34-L38 VanDerWaalsContact O-CG 3.23Å; P34-L38 WeakPolarHBondContact O-CG 3.36Å; P34-L38 PolarHBondContact O-N 3.08Å; V35-L38 PolarHBondContact O-N 3.14Å; L38-C41 PolarHBondContact O-N 2.79Å; L38-L42 WeakPolarHBondContact O-CG 3.32Å; L38-L42 PolarHBondContact O-N 3.24Å
39	E	89.6	Confident	86.1	Confident	132 Å²	132	87.7 Å²	87.7	62%	0.617	46%	0.455	S	S	*	.	H	α-helix	trans	-60.9	-44.4	174.3	-74.6	-170.5	162	0	0	111.6	V35 E36 Y37 C41 L42 Q43	V35-E39 WeakPolarHBondContact O-CG 3.5Å; V35-E39 PolarHBondContact O-N 3.49Å; E36-E39 PolarHBondContact O-N 2.81Å; Y37-E39 VanDerWaalsContact C-N 3.34Å; Y37-E39 PolarHBondContact O-N 3.42Å; E39-C41 VanDerWaalsContact C-N 3.32Å; E39-C41 PolarHBondContact O-N 2.65Å; E39-L42 PolarHBondContact O-N 3.19Å; E39-Q43 WeakPolarHBondContact O-CB 3.26Å; E39-Q43 PolarHBondContact O-N 2.53Å
40	S	87.3	Confident	86.4	Confident	64 Å²	64	86.8 Å²	86.8	45%	0.448	45%	0.453	S	S	.	.	H	α-helix	trans	-63	-38.4	176.2	80.3	0	0	0	0	112.3	E36 Y37 Q43 K44	E36-S40 PolarHBondContact O-N 2.96Å; Y37-S40 PolarHBondContact O-N 3.14Å; Y37-S40 PolarHBondContact O-OG 2.83Å; S40-Q43 PolarHBondContact O-N 3.47Å; S40-K44 WeakPolarHBondContact O-CB 3.46Å; S40-K44 PolarHBondContact O-N 3.36Å
41	C	89.4	Confident	86.5	Confident	4 Å²	4	80 Å²	80	3%	0.027	43%	0.427	C	S	.	.	H	α-helix	trans	-66	-45.8	176.3	-67.2	0	0	0	0	110.9	L22 Y37 L38 E39 Q43 K44 V45 F59	L22-C41 HydrophobicContact CD2-CB 3.22Å; Y37-C41 WeakPolarHBondContact CE1-SG 3.07Å; Y37-C41 PolarHBondContact O-N 3.49Å; Y37-C41 PolarHBondContact O-SG 2.79Å; L38-C41 PolarHBondContact O-N 2.79Å; E39-C41 VanDerWaalsContact C-N 3.32Å; E39-C41 PolarHBondContact O-N 2.65Å; C41-Q43 VanDerWaalsContact C-N 3.29Å; C41-Q43 PolarHBondContact O-N 2.73Å; C41-K44 CarbonylContact O-C 3.13Å; C41-K44 WeakPolarHBondContact O-CB 3.45Å; C41-K44 PolarHBondContact O-N 3.2Å; C41-K44 VanDerWaalsContact O-N 3.13Å; C41-V45 WeakPolarHBondContact O-CG2 3.32Å; C41-V45 PolarHBondContact O-N 3.34Å; C41-F59 HydrophobicContact CB-CD1 3.86Å; C41-F59 HydrophobicContact CB-CD2 4.48Å; C41-F59 HydrophobicContact CB-CE1 3.71Å; C41-F59 HydrophobicContact CB-CE2 4.36Å; C41-F59 HydrophobicContact CB-CG 4.26Å; C41-F59 HydrophobicContact CB-CZ 3.99Å; C41-F59 VanDerWaalsContact SG-CD1 3.56Å
42	L	89.2	Confident	86.4	Confident	75 Å²	75	83.5 Å²	83.5	39%	0.393	44%	0.444	S	S	.	.	H	α-helix	trans	-62.2	-35.5	175.9	-72.3	172.8	0	0	0	112.4	L18 L22 L38 E39 V45 K46	L18-L42 HydrophobicContact CD1-CD2 4.47Å; L18-L42 HydrophobicContact CD2-CD2 4.16Å; L22-L42 HydrophobicContact CD1-CD2 3.9Å; L22-L42 HydrophobicContact CD1-CG 4.39Å; L38-L42 WeakPolarHBondContact O-CG 3.32Å; L38-L42 PolarHBondContact O-N 3.24Å; E39-L42 PolarHBondContact O-N 3.19Å; L42-V45 PolarHBondContact O-N 3.33Å; L42-K46 PolarHBondContact O-N 2.85Å
43	Q	89.4	Confident	86.5	Confident	98 Å²	98	80.7 Å²	80.7	46%	0.458	43%	0.429	S	S	.	.	H	α-helix	trans	-64.7	-43	173.2	-170.9	61.9	19.8	0	0	111.2	E39 S40 C41 V45 K46 E47	E39-Q43 WeakPolarHBondContact O-CB 3.26Å; E39-Q43 PolarHBondContact O-N 2.53Å; S40-Q43 PolarHBondContact O-N 3.47Å; C41-Q43 VanDerWaalsContact C-N 3.29Å; C41-Q43 PolarHBondContact O-N 2.73Å; Q43-V45 VanDerWaalsContact C-N 3.33Å; Q43-V45 PolarHBondContact O-N 3Å; Q43-K46 WeakPolarHBondContact O-CB 3.08Å; Q43-K46 PolarHBondContact O-N 2.77Å; Q43-K46 VanDerWaalsContact O-N 3.11Å; Q43-E47 PolarHBondContact O-N 2.86Å
44	K	87.1	Confident	86.3	Confident	102 Å²	102	77.1 Å²	77.1	44%	0.443	41%	0.409	S	S	.	.	H	α-helix	trans	-64.5	-33.7	175	-169	171.5	-179.7	-172.4	0	112.7	S40 C41 K46 E47 L48 F59	S40-K44 WeakPolarHBondContact O-CB 3.46Å; S40-K44 PolarHBondContact O-N 3.36Å; C41-K44 CarbonylContact O-C 3.13Å; C41-K44 WeakPolarHBondContact O-CB 3.45Å; C41-K44 PolarHBondContact O-N 3.2Å; C41-K44 VanDerWaalsContact O-N 3.13Å; K44-K46 VanDerWaalsContact C-N 3.33Å; K44-K46 PolarHBondContact O-N 3.07Å; K44-E47 PolarHBondContact O-N 3.26Å; K44-L48 HydrophobicContact CG-CD1 4.43Å; K44-L48 WeakPolarHBondContact O-CB 3.4Å; K44-L48 VanDerWaalsContact O-CG 3.26Å; K44-L48 WeakPolarHBondContact O-CG 3.26Å; K44-L48 PolarHBondContact O-N 2.72Å; K44-F59 HydrophobicContact CB-CE1 4.18Å; K44-F59 HydrophobicContact CD-CD1 4.49Å; K44-F59 HydrophobicContact CD-CE1 4.03Å; K44-F59 HydrophobicContact CG-CE1 4.33Å
45	V	89.1	Confident	86.2	Confident	6 Å²	6	80.6 Å²	80.6	4%	0.036	42%	0.418	C	S	.	.	H	α-helix	trans	-61.9	-40.7	171.1	176.4	0	0	0	0	111.6	L18 C41 L42 Q43 E47 L48 G49 G50 V54 F59	L18-V45 HydrophobicContact CD1-CG1 4.31Å; L18-V45 HydrophobicContact CD1-CG2 3.64Å; C41-V45 WeakPolarHBondContact O-CG2 3.32Å; C41-V45 PolarHBondContact O-N 3.34Å; L42-V45 PolarHBondContact O-N 3.33Å; Q43-V45 VanDerWaalsContact C-N 3.33Å; Q43-V45 PolarHBondContact O-N 3Å; V45-E47 VanDerWaalsContact C-N 3.35Å; V45-L48 PolarHBondContact O-N 3.37Å; V45-G49 PolarHBondContact O-N 3.2Å; V45-G50 PolarHBondContact O-N 2.82Å; V45-G50 VanDerWaalsContact O-N 3.08Å; V45-V54 HydrophobicContact CB-CG2 4.19Å; V45-V54 HydrophobicContact CG1-CG2 3.73Å; V45-V54 HydrophobicContact CG2-CG2 3.6Å; V45-F59 HydrophobicContact CG2-CE2 4.19Å; V45-F59 HydrophobicContact CG2-CZ 3.59Å
46	K	86.9	Confident	85.9	Confident	150 Å²	150	83.5 Å²	83.5	65%	0.652	42%	0.418	S	S	*	.	H	α-helix	trans	-64.3	-41.2	176	-68	174.8	-176.8	170.4	0	111.3	L42 Q43 K44 L48 G49	L42-K46 PolarHBondContact O-N 2.85Å; Q43-K46 WeakPolarHBondContact O-CB 3.08Å; Q43-K46 PolarHBondContact O-N 2.77Å; Q43-K46 VanDerWaalsContact O-N 3.11Å; K44-K46 VanDerWaalsContact C-N 3.33Å; K44-K46 PolarHBondContact O-N 3.07Å; K46-L48 VanDerWaalsContact C-N 3.33Å; K46-L48 PolarHBondContact O-N 3.46Å; K46-G49 PolarHBondContact O-N 3.48Å
47	E	87.9	Confident	85.5	Confident	145 Å²	145	80.4 Å²	80.4	68%	0.678	41%	0.406	S	S	*	.	H	α-helix	trans	-65.2	-35.2	176.4	-69.3	172.5	-175.4	0	0	112.9	Q43 K44 V45 G49	Q43-E47 PolarHBondContact O-N 2.86Å; K44-E47 PolarHBondContact O-N 3.26Å; V45-E47 VanDerWaalsContact C-N 3.35Å; E47-G49 PolarHBondContact O-N 3.08Å
48	L	85	Confident	85.3	Confident	77 Å²	77	80.1 Å²	80.1	40%	0.403	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-7.7	176.3	-71.6	170.2	0	0	0	113.5	K44 V45 K46 K53 T58	K44-L48 HydrophobicContact CG-CD1 4.43Å; K44-L48 WeakPolarHBondContact O-CB 3.4Å; K44-L48 VanDerWaalsContact O-CG 3.26Å; K44-L48 WeakPolarHBondContact O-CG 3.26Å; K44-L48 PolarHBondContact O-N 2.72Å; V45-L48 PolarHBondContact O-N 3.37Å; K46-L48 VanDerWaalsContact C-N 3.33Å; K46-L48 PolarHBondContact O-N 3.46Å; L48-K53 HydrophobicContact CB-CB 4.24Å; L48-K53 WeakPolarHBondContact O-CG 3.45Å; L48-T58 HydrophobicContact CD1-CG2 3.92Å
49	G	84.1	Confident	85.2	Confident	67 Å²	67	78.2 Å²	78.2	69%	0.691	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.3	16.7	177.4	0	0	0	0	0	114.8	V45 K46 E47	V45-G49 PolarHBondContact O-N 3.2Å; K46-G49 PolarHBondContact O-N 3.48Å; E47-G49 PolarHBondContact O-N 3.08Å
50	G	82.1	Confident	84.8	Confident	25 Å²	25	74.1 Å²	74.1	26%	0.258	38%	0.382	S	S	.	.	S	Bend	trans	119	175.7	174.4	0	0	0	0	0	114.7	V45 D52 K53	V45-G50 PolarHBondContact O-N 2.82Å; V45-G50 VanDerWaalsContact O-N 3.08Å; G50-D52 PolarHBondContact O-N 2.92Å; G50-K53 PolarHBondContact O-N 3.4Å
51	C	81.8	Confident	83.7	Confident	31 Å²	31	75.2 Å²	75.2	21%	0.209	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-59.1	-34.2	-175.1	-48.8	0	0	0	0	112.8	R13 E14 K53 V54	R13-C51 VanDerWaalsContact O-CB 3.28Å; R13-C51 WeakPolarHBondContact O-CB 3.14Å; E14-C51 HydrophobicContact CB-CB 4.33Å; C51-K53 PolarHBondContact O-N 2.94Å; C51-V54 VanDerWaalsContact O-CB 3.32Å; C51-V54 WeakPolarHBondContact O-CB 3.49Å; C51-V54 PolarHBondContact O-N 2.88Å
52	D	80.1	Confident	81.9	Confident	108 Å²	108	83.5 Å²	83.5	58%	0.578	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-64.1	-10.4	-177.7	-45.2	-9.3	0	0	0	114.2	E14 G50	E14-D52 WeakPolarHBondContact OE2-CA 3.36Å; G50-D52 PolarHBondContact O-N 2.92Å
53	K	79.9	Confident	79.9	Confident	147 Å²	147	87.5 Å²	87.5	64%	0.639	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-101.5	-2.4	177.4	-61.1	-62.9	-171.7	-176.5	0	113	L48 G50 C51	L48-K53 HydrophobicContact CB-CB 4.24Å; L48-K53 WeakPolarHBondContact O-CG 3.45Å; G50-K53 PolarHBondContact O-N 3.4Å; C51-K53 PolarHBondContact O-N 2.94Å
54	V	84.1	Confident	77.6	Confident	0 Å²	0	92 Å²	92	0%	0	46%	0.463	C	S	.	.			trans	-91.2	121	-178.2	-177.1	0	0	0	0	109.6	Q17 L18 S21 V45 C51 F59	Q17-V54 PolarHBondContact NE2-O 3.38Å; L18-V54 HydrophobicContact CD1-CG2 4.45Å; S21-V54 WeakPolarHBondContact OG-CG1 3.39Å; V45-V54 HydrophobicContact CB-CG2 4.19Å; V45-V54 HydrophobicContact CG1-CG2 3.73Å; V45-V54 HydrophobicContact CG2-CG2 3.6Å; C51-V54 VanDerWaalsContact O-CB 3.32Å; C51-V54 WeakPolarHBondContact O-CB 3.49Å; C51-V54 PolarHBondContact O-N 2.88Å; V54-F59 HydrophobicContact CG1-CE2 3.97Å
55	K	84.2	Confident	75.2	Confident	139 Å²	139	95.9 Å²	95.9	60%	0.604	48%	0.48	S	S	*	.			trans	-94.8	164.4	167.4	-64.8	-176.5	179	-179.5	0	111.1	S21 D57 T58	S21-K55 WeakPolarHBondContact CB-O 3.44Å; S21-K55 PolarHBondContact OG-O 3.28Å; K55-D57 VanDerWaalsContact CB-OD1 3.28Å; K55-D57 WeakPolarHBondContact CB-OD1 3.42Å; K55-D57 PolarHBondContact O-N 2.84Å; K55-D57 VanDerWaalsContact O-N 3.09Å; K55-T58 WeakPolarHBondContact CA-OG1 3.48Å; K55-T58 PolarHBondContact N-OG1 3.21Å; K55-T58 WeakPolarHBondContact O-CB 3.13Å; K55-T58 PolarHBondContact O-N 3.38Å; K55-T58 VanDerWaalsContact O-N 3.14Å; K55-T58 PolarHBondContact O-OG1 3.42Å
56	W	79.9	Confident	72.7	Confident	157 Å²	157	101.8 Å²	101.8	60%	0.595	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-25.5	-179.8	70.6	-94.1	0	0	0	113.9
57	D	81.2	Confident	70.2	Confident	65 Å²	65	102.3 Å²	102.3	35%	0.348	53%	0.525	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102	2.4	-176.9	64.6	-29.2	0	0	0	114.4	K55 F59 V60	K55-D57 VanDerWaalsContact CB-OD1 3.28Å; K55-D57 WeakPolarHBondContact CB-OD1 3.42Å; K55-D57 PolarHBondContact O-N 2.84Å; K55-D57 VanDerWaalsContact O-N 3.09Å; D57-F59 PolarHBondContact O-N 2.89Å; D57-V60 PolarHBondContact O-N 3.2Å
58	T	84.4	Confident	67.7	Low	36 Å²	36	100.8 Å²	100.8	22%	0.221	53%	0.528	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-31.8	-172.9	-53	0	0	0	0	114	L48 K55	L48-T58 HydrophobicContact CD1-CG2 3.92Å; K55-T58 WeakPolarHBondContact CA-OG1 3.48Å; K55-T58 PolarHBondContact N-OG1 3.21Å; K55-T58 WeakPolarHBondContact O-CB 3.13Å; K55-T58 PolarHBondContact O-N 3.38Å; K55-T58 VanDerWaalsContact O-N 3.14Å; K55-T58 PolarHBondContact O-OG1 3.42Å
59	F	86.1	Confident	65.5	Low	14 Å²	14	103.1 Å²	103.1	6%	0.061	55%	0.547	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.7	8	-177.7	-54.1	-67.8	0	0	0	113.6	S21 L22 Y37 C41 K44 V45 V54 D57	S21-F59 VanDerWaalsContact OG-CD2 3.27Å; S21-F59 WeakPolarHBondContact OG-CD2 3.31Å; L22-F59 HydrophobicContact CD2-CD2 4.18Å; L22-F59 HydrophobicContact CD2-CE2 3.94Å; L22-F59 HydrophobicContact CD2-CZ 4.46Å; Y37-F59 PolarHBondContact OH-O 3.05Å; C41-F59 HydrophobicContact CB-CD1 3.86Å; C41-F59 HydrophobicContact CB-CD2 4.48Å; C41-F59 HydrophobicContact CB-CE1 3.71Å; C41-F59 HydrophobicContact CB-CE2 4.36Å; C41-F59 HydrophobicContact CB-CG 4.26Å; C41-F59 HydrophobicContact CB-CZ 3.99Å; C41-F59 VanDerWaalsContact SG-CD1 3.56Å; K44-F59 HydrophobicContact CB-CE1 4.18Å; K44-F59 HydrophobicContact CD-CD1 4.49Å; K44-F59 HydrophobicContact CD-CE1 4.03Å; K44-F59 HydrophobicContact CG-CE1 4.33Å; V45-F59 HydrophobicContact CG2-CE2 4.19Å; V45-F59 HydrophobicContact CG2-CZ 3.59Å; V54-F59 HydrophobicContact CG1-CE2 3.97Å; D57-F59 PolarHBondContact O-N 2.89Å
60	V	81.1	Confident	63.5	Low	46 Å²	46	108.2 Å²	108.2	28%	0.279	56%	0.558	S	S	.	*	S	Bend	trans	-89.9	116.6	176.5	-178.1	0	0	0	0	108.6	N24 C28 D57 Q62	N24-V60 HydrophobicContact CB-CG2 4.24Å; C28-V60 HydrophobicContact CB-CG1 4.16Å; D57-V60 PolarHBondContact O-N 3.2Å; V60-Q62 PolarHBondContact O-N 3.24Å
61	S	63.8	Low	61.2	Low	88 Å²	88	114.9 Å²	114.9	62%	0.615	59%	0.588	S	S	*	*			trans	-58.2	127.7	-178.5	-58.4	0	0	0	0	112	E63	S61-E63 PolarHBondContact O-N 2.87Å
62	Q	52.9	Low	58.7	Low	177 Å²	177	117 Å²	117	83%	0.827	62%	0.615	S	S	*	*			trans	-77.4	59.5	172.1	-70	-171.3	-2.7	0	0	111.9	V60 K64	V60-Q62 PolarHBondContact O-N 3.24Å; Q62-K64 PolarHBondContact O-N 3.19Å; Q62-K64 VanDerWaalsContact O-N 3.15Å
63	E	45.9	Very low	56.4	Low	160 Å²	160	115.3 Å²	115.3	75%	0.748	62%	0.623	S	S	*	*			trans	-80	92	160	-76.2	-161.8	173.6	0	0	108.6	S61 K65	S61-E63 PolarHBondContact O-N 2.87Å; E63-K65 PolarHBondContact O-N 3.42Å
64	K	41.3	Very low	54	Low	193 Å²	193	117.7 Å²	117.7	84%	0.839	64%	0.636	S	S	*	*			trans	-62.2	86.9	164	-80	-176.9	177	177.1	0	109	Q62 T66	Q62-K64 PolarHBondContact O-N 3.19Å; Q62-K64 VanDerWaalsContact O-N 3.15Å; K64-T66 PolarHBondContact O-N 3.24Å; K64-T66 VanDerWaalsContact O-N 3.16Å
65	K	38.4	Very low	51.4	Low	182 Å²	182	122.8 Å²	122.8	79%	0.791	67%	0.672	S	S	*	*			trans	-71.6	102	158.1	-85.1	179.3	178.5	170.6	0	107.6	E63 L67	E63-K65 PolarHBondContact O-N 3.42Å; K65-L67 PolarHBondContact O-N 3.48Å
66	T	35.6	Very low	48.7	Very low	130 Å²	130	126.3 Å²	126.3	80%	0.798	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-60.2	126.5	169.1	41.2	0	0	0	0	109.2	K64	K64-T66 PolarHBondContact O-N 3.24Å; K64-T66 VanDerWaalsContact O-N 3.16Å
67	L	33.8	Very low	46.3	Very low	162 Å²	162	128.9 Å²	128.9	85%	0.848	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-59.9	140.7	172.8	-69.7	167	0	0	0	109.7	K65	K65-L67 PolarHBondContact O-N 3.48Å
68	P	35.7	Very low	43.7	Very low	113 Å²	113	130 Å²	130	73%	0.734	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-67.4	145.6	177.2	26.7	-31.1	0	0	0	110.7
69	P	38.6	Very low	40.8	Very low	125 Å²	125	136.8 Å²	136.8	81%	0.812	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-71.2	134.3	-179.5	28.7	-31.4	0	0	0	110.6	N71	P69-N71 PolarHBondContact O-N 2.66Å
70	L	42.2	Very low	38	Very low	175 Å²	175	143.3 Å²	143.3	92%	0.916	77%	0.765	S	S	*	*			trans	-68.9	113.2	165.8	-76.6	157.9	0	0	0	108.4
71	N	33.3	Very low	35.4	Very low	165 Å²	165	151 Å²	151	88%	0.882	79%	0.789	S	S	*	*			trans	-146.6	128.7	157.7	-107.8	-10.8	0	0	0	111	P69	P69-N71 PolarHBondContact O-N 2.66Å
72	G	30.6	Very low	33.6	Very low	76 Å²	76	153.2 Å²	153.2	78%	0.784	79%	0.794	S	S	*	*			trans	-77.2	167.4	178.4	0	0	0	0	0	113.8
73	G	30.8	Very low	32.4	Very low	71 Å²	71	151.1 Å²	151.1	73%	0.732	79%	0.793	S	S	*	*			trans	78.7	98.2	156.7	0	0	0	0	0	116.5
74	Q	30.7	Very low	31.6	Very low	197 Å²	197	152.1 Å²	152.1	92%	0.921	80%	0.8	S	S	*	*				161.1	122.5	113.7	-84.3	-177.2	11.6	0	0	112.8
75	S	28.5	Very low	31.3	Very low	107 Å²	107	148.3 Å²	148.3	75%	0.748	80%	0.795	S	S	*	*			trans	19.7	130.3	144.9	-78.8	0	0	0	0	123.8
76	R	28.6	Very low	30.7	Very low	214 Å²	214	148.3 Å²	148.3	81%	0.808	80%	0.798	S	S	*	*				80	126.5	129.9	-77.2	-173.2	175.9	-179.3	0.5	121.5
77	R	28.1	Very low	30.2	Very low	210 Å²	210	149.8 Å²	149.8	79%	0.792	80%	0.801	S	S	*	*			trans	87.5	98.8	141.4	-75.9	-178.7	179.4	179.2	-0.7	120.3
78	S	26.8	Very low	30	Very low	88 Å²	88	146.6 Å²	146.6	62%	0.615	79%	0.792	S	S	*	*				57.4	131	107.6	76.7	0	0	0	0	123.4
79	F	24.9	Very low	29.8	Very low	180 Å²	180	148.4 Å²	148.4	79%	0.789	80%	0.796	S	S	*	*			trans	92.8	109	145	-69.9	-66.9	0	0	0	121.5
80	L	26.2	Very low	29.4	Very low	150 Å²	150	152.3 Å²	152.3	79%	0.785	80%	0.8	S	S	*	*				58.5	122.8	124.7	-80.4	172.9	0	0	0	121.6
81	R	26	Very low	28.9	Very low	209 Å²	209	149.4 Å²	149.4	79%	0.789	79%	0.791	S	S	*	*				115	126.9	117.9	-163.8	169.8	-144.6	171.4	6.1	118.4
82	N	26.1	Very low	28.6	Very low	133 Å²	133	152.7 Å²	152.7	71%	0.711	79%	0.793	S	S	*	*			trans	62.5	115.5	153.6	-68.1	-2.2	0	0	0	119.4
83	V	27.8	Very low	28.6	Very low	133 Å²	133	158.8 Å²	158.8	81%	0.806	79%	0.793	S	S	*	*				-153.2	113.4	117.6	179.4	0	0	0	0	108.4
84	M	30.1	Very low	28.8	Very low	181 Å²	181	166.2 Å²	166.2	89%	0.892	80%	0.799	S	S	*	*			trans	-107.8	146	144.5	-87.7	-80.4	169	0	0	105.9
85	P	33.9	Very low	28.8	Very low	114 Å²	114	165.8 Å²	165.8	74%	0.74	79%	0.79	S	S	*	*				-134.6	150.9	122.7	24.9	-6.7	0	0	0	113.5
86	E	26	Very low	28.7	Very low	182 Å²	182	167.5 Å²	167.5	85%	0.85	79%	0.791	S	S	*	*			trans	-60.9	143.4	173.3	-55.2	-179.7	143.2	0	0	112.5
87	N	25.9	Very low	29	Very low	160 Å²	160	169.1 Å²	169.1	86%	0.856	80%	0.797	S	S	*	*				-160.9	153.5	113.9	-120.8	-3.9	0	0	0	114.5
88	S	30	Very low	29	Very low	95 Å²	95	167 Å²	167	66%	0.664	80%	0.8	S	S	*	*			trans	-86.9	129.1	-161.7	49.5	0	0	0	0	115.2
89	N	30.8	Very low	29.2	Very low	152 Å²	152	167.6 Å²	167.6	81%	0.813	80%	0.802	S	S	*	*			trans	-173.2	107	140.9	-106.6	-9.8	0	0	0	108.7
90	F	29.3	Very low	29.7	Very low	207 Å²	207	164.2 Å²	164.2	91%	0.908	80%	0.798	S	S	*	*			trans	-170.2	136.4	136.1	-97.5	-74	0	0	0	108.2
91	P	32.2	Very low	29.9	Very low	113 Å²	113	164.6 Å²	164.6	73%	0.734	80%	0.799	S	S	*	*			trans	-77.8	136.3	-170.1	30.4	-29	0	0	0	111.6	R93	P91-R93 PolarHBondContact O-N 3.32Å
92	Y	27.9	Very low	30.2	Very low	234 Å²	234	161.7 Å²	161.7	92%	0.918	80%	0.795	S	S	*	*			trans	-55.2	115.5	161.9	-87.7	-98.3	0	0	0	110
93	R	30	Very low	30.9	Very low	205 Å²	205	164 Å²	164	77%	0.774	80%	0.801	S	S	*	*			trans	-93.7	109.2	153.7	-92.9	-167.6	-178.3	173.9	-0.4	108.6	P91	P91-R93 PolarHBondContact O-N 3.32Å
94	R	36	Very low	30.9	Very low	227 Å²	227	167 Å²	167	86%	0.857	80%	0.803	S	S	*	*			trans	-55.8	135.5	151.4	-77.6	-179.2	178.2	178.3	-0.6	108.2
95	Y	29.2	Very low	30.8	Very low	187 Å²	187	163.5 Å²	163.5	73%	0.733	80%	0.797	S	S	*	*			trans	-128.3	139.3	149.2	-91.2	-74.4	0	0	0	110.3
96	D	27.1	Very low	31.2	Very low	144 Å²	144	166.2 Å²	166.2	77%	0.77	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-74.2	162.5	-168.7	-71.5	-60.1	0	0	0	114.2	L98	D96-L98 PolarHBondContact O-N 3.05Å
97	R	33.9	Very low	31.5	Very low	247 Å²	247	165.8 Å²	165.8	93%	0.932	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-52.1	132.6	171.3	-73	-178.9	175.1	-179.1	-1.9	111.5
98	L	28.7	Very low	32.2	Very low	166 Å²	166	163 Å²	163	87%	0.869	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-80.7	145.5	159.5	-73.9	167.2	0	0	0	110.5	D96	D96-L98 PolarHBondContact O-N 3.05Å
99	P	30.8	Very low	32.3	Very low	100 Å²	100	164.9 Å²	164.9	65%	0.649	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-78.8	166.2	-168.8	32.3	-34.5	0	0	0	113.2	I101	P99-I101 PolarHBondContact O-N 2.66Å
100	P	36.4	Very low	32.8	Very low	110 Å²	110	163.5 Å²	163.5	71%	0.714	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-67.5	128.3	177.7	28.1	-32.7	0	0	0	110.2	H102	P100-H102 PolarHBondContact O-N 3.08Å; P100-H102 VanDerWaalsContact O-N 3.11Å
101	I	30.5	Very low	33.2	Very low	157 Å²	157	160.6 Å²	160.6	81%	0.805	79%	0.788	S	S	*	*			trans	-75.8	104	174.8	-59.1	176.3	0	0	0	108	P99	P99-I101 PolarHBondContact O-N 2.66Å
102	H	31.2	Very low	33.4	Very low	149 Å²	149	161.4 Å²	161.4	69%	0.69	79%	0.786	S	S	*	*			trans	-71.9	139.9	159	-85.3	-84.3	0	0	0	110	P100	P100-H102 PolarHBondContact O-N 3.08Å; P100-H102 VanDerWaalsContact O-N 3.11Å
103	Q	41.1	Very low	33.9	Very low	181 Å²	181	154.9 Å²	154.9	85%	0.846	77%	0.774	S	S	*	*			trans	10.8	111.3	154	-92.2	170	-31.4	0	0	116.7
104	F	27.8	Very low	34.3	Very low	196 Å²	196	153.4 Å²	153.4	86%	0.86	78%	0.776	S	S	*	*			trans	-104.6	126.2	147.2	-82.4	-78	0	0	0	109.4
105	S	28.2	Very low	34.5	Very low	108 Å²	108	147.8 Å²	147.8	76%	0.755	77%	0.767	S	S	*	*			trans	-53.9	137.2	-175.1	-58.4	0	0	0	0	113.6	E107	S105-E107 PolarHBondContact O-N 2.87Å
106	I	41.7	Very low	34.8	Very low	170 Å²	170	142.6 Å²	142.6	87%	0.872	76%	0.763	S	S	*	*			trans	-66	103.9	159	-61	162.5	0	0	0	106.8
107	E	33.2	Very low	35.3	Very low	174 Å²	174	142.1 Å²	142.1	81%	0.813	76%	0.756	S	S	*	*			trans	-138.6	119.2	156.6	-73.2	-169.3	171.1	0	0	109.7	S105	S105-E107 PolarHBondContact O-N 2.87Å
108	S	40.5	Very low	35.3	Very low	102 Å²	102	137.6 Å²	137.6	71%	0.713	75%	0.75	S	S	*	*			trans	65.4	77.4	169.6	59	0	0	0	0	118.3
109	D	31.1	Very low	35.8	Very low	133 Å²	133	136.2 Å²	136.2	71%	0.711	74%	0.742	S	S	*	*			trans	-132.6	89.6	131.4	-99.2	-20.8	0	0	0	107.8	D111	D109-D111 PolarHBondContact O-N 3.1Å
110	T	41.9	Very low	36.2	Very low	123 Å²	123	136.8 Å²	136.8	76%	0.755	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.1	6.1	176.9	-1.1	0	0	0	0	113.6
111	D	38.5	Very low	36.7	Very low	146 Å²	146	140.6 Å²	140.6	78%	0.781	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.4	6.4	-172.3	-76.9	-10	0	0	0	114.7	D109	D109-D111 PolarHBondContact O-N 3.1Å
112	L	35	Very low	37.8	Very low	130 Å²	130	139.2 Å²	139.2	68%	0.681	73%	0.73	S	S	*	*	S	Bend	trans	-105.9	5.6	176.9	-86.2	158.1	0	0	0	114.2
113	S	38.6	Very low	39.3	Very low	97 Å²	97	138.7 Å²	138.7	68%	0.678	73%	0.728	S	S	*	*	S	Bend	trans	-98.7	-1.7	-177.1	66.3	0	0	0	0	115.7
114	E	39.7	Very low	40.9	Very low	175 Å²	175	130.7 Å²	130.7	82%	0.818	69%	0.691	S	S	*	*	S	Bend	trans	-105.9	-2.4	179.2	-77	-169	164.9	0	0	115.4
115	T	38.3	Very low	43.3	Very low	108 Å²	108	122.9 Å²	122.9	66%	0.663	66%	0.657	S	S	*	*	S	Bend	trans	-121.8	2.1	-179.2	38.5	0	0	0	0	115.8	E117	T115-E117 PolarHBondContact O-N 3.18Å
116	A	36.5	Very low	45.5	Very low	79 Å²	79	121.3 Å²	121.3	65%	0.653	64%	0.64	S	S	*	*			trans	-88	64	155.6	0	0	0	0	0	107.9	L118	A116-L118 PolarHBondContact O-N 2.79Å
117	E	38.1	Very low	47	Very low	133 Å²	133	118 Å²	118	62%	0.621	63%	0.629	S	S	*	*			trans	-60.2	95.3	152.2	-80.1	-179.6	178.7	0	0	104.4	T115 I119	T115-E117 PolarHBondContact O-N 3.18Å; E117-I119 PolarHBondContact O-N 3.34Å
118	L	33.3	Very low	49	Very low	152 Å²	152	115.3 Å²	115.3	80%	0.796	63%	0.625	S	S	*	*			trans	-41.3	104.1	152.1	-80.7	146.9	0	0	0	104.8	A116 E120	A116-L118 PolarHBondContact O-N 2.79Å; L118-E120 PolarHBondContact O-N 2.68Å
119	I	40.2	Very low	50.7	Low	138 Å²	138	117 Å²	117	71%	0.708	62%	0.616	S	S	*	*			trans	-69.9	81.8	169.1	-56.1	173.8	0	0	0	103.3	E117 E121	E117-I119 PolarHBondContact O-N 3.34Å; I119-E121 PolarHBondContact O-N 3.25Å
120	E	38.9	Very low	52.9	Low	112 Å²	112	116.7 Å²	116.7	52%	0.523	62%	0.621	S	S	.	*			trans	-50.3	127.3	156.7	-79.4	-176.8	-165	0	0	105	L118 Y122	L118-E120 PolarHBondContact O-N 2.68Å; E120-Y122 HydrophobicContact CB-CD1 4.44Å; E120-Y122 HydrophobicContact CB-CD2 3.8Å; E120-Y122 HydrophobicContact CB-CE1 4.08Å; E120-Y122 HydrophobicContact CB-CE2 3.44Å; E120-Y122 VanDerWaalsContact CB-CE2 3.44Å; E120-Y122 HydrophobicContact CB-CG 4.3Å; E120-Y122 VanDerWaalsContact CD-OH 3.24Å; E120-Y122 HydrophobicContact CG-CE2 4.41Å; E120-Y122 VanDerWaalsContact O-CD2 3.29Å; E120-Y122 WeakPolarHBondContact O-CD2 3.45Å; E120-Y122 PolarHBondContact O-N 3.47Å; E120-Y122 WeakPolarHBondContact OE2-CE1 3.33Å; E120-Y122 PolarHBondContact OE2-OH 3.44Å
121	E	45.6	Very low	54.9	Low	190 Å²	190	115.7 Å²	115.7	89%	0.888	60%	0.604	S	S	*	*			trans	-66.1	69.8	174.2	-73.2	179.8	162.9	0	0	108.3	I119 E123	I119-E121 PolarHBondContact O-N 3.25Å; E121-E123 PolarHBondContact O-N 3.36Å
122	Y	53.8	Low	57.4	Low	127 Å²	127	109 Å²	109	50%	0.498	57%	0.568	S	S	.	*			trans	-70.6	124.1	173.1	-65.6	-69.8	0	0	0	107.7	E120 V124 K203 M207	E120-Y122 HydrophobicContact CB-CD1 4.44Å; E120-Y122 HydrophobicContact CB-CD2 3.8Å; E120-Y122 HydrophobicContact CB-CE1 4.08Å; E120-Y122 HydrophobicContact CB-CE2 3.44Å; E120-Y122 VanDerWaalsContact CB-CE2 3.44Å; E120-Y122 HydrophobicContact CB-CG 4.3Å; E120-Y122 VanDerWaalsContact CD-OH 3.24Å; E120-Y122 HydrophobicContact CG-CE2 4.41Å; E120-Y122 VanDerWaalsContact O-CD2 3.29Å; E120-Y122 WeakPolarHBondContact O-CD2 3.45Å; E120-Y122 PolarHBondContact O-N 3.47Å; E120-Y122 WeakPolarHBondContact OE2-CE1 3.33Å; E120-Y122 PolarHBondContact OE2-OH 3.44Å; Y122-V124 PolarHBondContact O-N 2.97Å; Y122-K203 WeakPolarHBondContact O-CE 3.27Å; Y122-K203 PolarHBondContact O-NZ 3.17Å; Y122-M207 VanDerWaalsContact CB-CE 3.41Å; Y122-M207 HydrophobicContact CG-CE 4.35Å
123	E	62.6	Low	60.2	Low	139 Å²	139	106.4 Å²	106.4	65%	0.65	55%	0.552	S	S	*	*			trans	-61.6	127.5	163.8	-67.3	-175.4	154.2	0	0	108.2	E121 F125 P127	E121-E123 PolarHBondContact O-N 3.36Å; E123-F125 VanDerWaalsContact C-N 3.25Å; E123-F125 PolarHBondContact O-N 3.28Å; E123-P127 WeakPolarHBondContact OE2-CD 3.32Å; E123-P127 VanDerWaalsContact OE2-CG 3.28Å; E123-P127 WeakPolarHBondContact OE2-CG 3.41Å
124	V	75.9	Confident	62.9	Low	13 Å²	13	101.8 Å²	101.8	8%	0.079	52%	0.519	C	S	.	.	S	Bend	trans	-68.3	-31.4	-174.6	-173.5	0	0	0	0	111.5	Y122 K203 L206 M207 Q233 I234	Y122-V124 PolarHBondContact O-N 2.97Å; V124-K203 HydrophobicContact CG2-CD 3.72Å; V124-K203 HydrophobicContact CG2-CG 3.71Å; V124-L206 HydrophobicContact CG1-CB 3.63Å; V124-L206 HydrophobicContact CG1-CD1 3.95Å; V124-L206 HydrophobicContact CG1-CG 4.46Å; V124-M207 HydrophobicContact CG2-CE 4.36Å; V124-Q233 WeakPolarHBondContact CG2-O 3.35Å; V124-I234 HydrophobicContact CG1-CG2 4.26Å; V124-I234 HydrophobicContact CG2-CG1 4.15Å
125	F	78.2	Confident	65.7	Low	31 Å²	31	93.5 Å²	93.5	14%	0.136	48%	0.48	C	S	.	.	S	Bend	trans	-122.6	136.6	177.6	-56.5	-64.2	0	0	0	108.8	E123 P127 P132 I134 L206 I215 I234 C235	E123-F125 VanDerWaalsContact C-N 3.25Å; E123-F125 PolarHBondContact O-N 3.28Å; F125-P127 WeakPolarHBondContact O-CD 3.21Å; F125-P132 HydrophobicContact CD1-CG 3.84Å; F125-P132 HydrophobicContact CE1-CG 3.36Å; F125-P132 HydrophobicContact CZ-CG 3.91Å; F125-I134 HydrophobicContact CE2-CD1 4.04Å; F125-I134 HydrophobicContact CZ-CD1 3.81Å; F125-L206 HydrophobicContact CZ-CD1 4.17Å; F125-I215 HydrophobicContact CE1-CD1 4.5Å; F125-I234 HydrophobicContact CE2-CG2 3.83Å; F125-I234 HydrophobicContact CZ-CG2 4.31Å; F125-C235 HydrophobicContact CE2-CB 4.37Å
126	D	73.4	Confident	68.5	Low	76 Å²	76	88.4 Å²	88.4	41%	0.406	45%	0.449	S	S	.	.			trans	-64.6	119.6	175.6	-179	-15.3	0	0	0	109.6	T128 R129	D126-T128 PolarHBondContact O-N 2.92Å; D126-T128 VanDerWaalsContact O-N 3.1Å; D126-T128 WeakPolarHBondContact OD1-CB 3.47Å; D126-T128 WeakPolarHBondContact OD1-CG2 3.28Å; D126-T128 PolarHBondContact OD1-N 2.88Å; D126-T128 PolarHBondContact OD1-OG1 3.28Å; D126-T128 PolarHBondContact OD2-OG1 3.45Å; D126-T128 VanDerWaalsContact OD2-OG1 3.08Å; D126-R129 HydrophobicContact CB-CB 4.49Å; D126-R129 HydrophobicContact CB-CG 4.35Å; D126-R129 PolarHBondContact O-N 2.99Å; D126-R129 IonicContact OD2-NE 2.87Å
127	P	73.6	Confident	71.4	Confident	99 Å²	99	84.6 Å²	84.6	64%	0.643	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-13.8	-177.9	27.3	-35.5	0	0	0	113.1	E123 F125 R129	E123-P127 WeakPolarHBondContact OE2-CD 3.32Å; E123-P127 VanDerWaalsContact OE2-CG 3.28Å; E123-P127 WeakPolarHBondContact OE2-CG 3.41Å; F125-P127 WeakPolarHBondContact O-CD 3.21Å; P127-R129 VanDerWaalsContact C-N 3.32Å
128	T	75.8	Confident	74.2	Confident	119 Å²	119	78.6 Å²	78.6	73%	0.73	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-9.7	176	71.4	0	0	0	0	113.4	D126	D126-T128 PolarHBondContact O-N 2.92Å; D126-T128 VanDerWaalsContact O-N 3.1Å; D126-T128 WeakPolarHBondContact OD1-CB 3.47Å; D126-T128 WeakPolarHBondContact OD1-CG2 3.28Å; D126-T128 PolarHBondContact OD1-N 2.88Å; D126-T128 PolarHBondContact OD1-OG1 3.28Å; D126-T128 PolarHBondContact OD2-OG1 3.45Å; D126-T128 VanDerWaalsContact OD2-OG1 3.08Å
129	R	76.1	Confident	77	Confident	136 Å²	136	71.9 Å²	71.9	51%	0.513	36%	0.357	S	S	.	.	S	Bend	trans	-115.1	150.6	-178.3	-63.3	-174.4	-176	-161.3	0.5	111.4	D126 P127 R131 D211	D126-R129 HydrophobicContact CB-CB 4.49Å; D126-R129 HydrophobicContact CB-CG 4.35Å; D126-R129 PolarHBondContact O-N 2.99Å; D126-R129 IonicContact OD2-NE 2.87Å; P127-R129 VanDerWaalsContact C-N 3.32Å; R129-R131 PolarHBondContact O-N 2.69Å; R129-D211 IonicContact CZ-OD1 2.66Å; R129-D211 IonicContact NH1-OD1 3.6Å; R129-D211 PolarHBondContact NH1-OD1 3.29Å
130	P	76.8	Confident	79.4	Confident	128 Å²	128	65.3 Å²	65.3	83%	0.831	32%	0.324	S	S	*	.	P	Polyproline II helix	trans	-63.2	124	171	26.6	-32	0	0	0	109.2
131	R	85.3	Confident	81.7	Confident	102 Å²	102	60.6 Å²	60.6	39%	0.385	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-63.6	147.1	178.3	68.5	172	-174.3	74.5	0.4	111.4	R129 D238	R129-R131 PolarHBondContact O-N 2.69Å; R131-D238 IonicContact CZ-OD1 3.31Å; R131-D238 IonicContact CZ-OD2 3.5Å; R131-D238 IonicContact NH1-OD1 2.76Å; R131-D238 PolarHBondContact NH1-OD1 3.06Å; R131-D238 IonicContact NH1-OD2 3.38Å; R131-D238 PolarHBondContact NH1-OD2 3.3Å; R131-D238 IonicContact NH2-OD1 3.62Å; R131-D238 PolarHBondContact NH2-OD1 3.31Å; R131-D238 IonicContact NH2-OD2 2.76Å
132	P	90.4	Very high	83.7	Confident	6 Å²	6	51.8 Å²	51.8	4%	0.039	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-57.7	151.1	171.7	18.5	-28.8	0	0	0	112	F125 I134 E212 E213 I215	F125-P132 HydrophobicContact CD1-CG 3.84Å; F125-P132 HydrophobicContact CE1-CG 3.36Å; F125-P132 HydrophobicContact CZ-CG 3.91Å; P132-I134 PolarHBondContact O-N 3.39Å; P132-E212 WeakPolarHBondContact CB-O 3.49Å; P132-E213 WeakPolarHBondContact CA-O 3.5Å; P132-I215 HydrophobicContact CB-CD1 4.06Å; P132-I215 HydrophobicContact CB-CG1 4.04Å; P132-I215 HydrophobicContact CG-CD1 3.83Å; P132-I215 HydrophobicContact CG-CG1 4.37Å
133	K	93.8	Very high	85.5	Confident	75 Å²	75	45.8 Å²	45.8	33%	0.326	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	124	166.8	-65.9	-62.9	-175.6	179.5	0	110.1	F158 E213 G214 I215 D238	K133-F158 HydrophobicContact CB-CE2 4.09Å; K133-F158 HydrophobicContact CB-CZ 3.86Å; K133-F158 HydrophobicContact CG-CZ 4.44Å; K133-E213 PolarHBondContact N-O 3.37Å; K133-G214 CarbonylContact O-C 3.46Å; K133-G214 WeakPolarHBondContact O-CA 3.47Å; K133-I215 PolarHBondContact O-N 2.96Å; K133-D238 VanDerWaalsContact CA-OD2 3.3Å; K133-D238 WeakPolarHBondContact CA-OD2 3.13Å; K133-D238 HydrophobicContact CD-CB 4.47Å; K133-D238 IonicContact NZ-OD1 3.49Å
134	I	95.6	Very high	86.8	Confident	0 Å²	0	40 Å²	40	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	120.6	-179.5	-56.6	-163	0	0	0	110.6	F125 P132 L136 I215 I217 F230 C235 P237 D238 L239	F125-I134 HydrophobicContact CE2-CD1 4.04Å; F125-I134 HydrophobicContact CZ-CD1 3.81Å; P132-I134 PolarHBondContact O-N 3.39Å; I134-L136 HydrophobicContact CG2-CD2 3.86Å; I134-L136 HydrophobicContact CG2-CG 4.43Å; I134-I215 WeakPolarHBondContact CA-O 3.37Å; I134-I217 HydrophobicContact CG2-CD1 4.24Å; I134-F230 HydrophobicContact CD1-CZ 4.19Å; I134-F230 HydrophobicContact CG2-CE1 4.41Å; I134-F230 HydrophobicContact CG2-CZ 4.15Å; I134-C235 WeakPolarHBondContact CD1-SG 3.42Å; I134-P237 HydrophobicContact CG2-CB 4.35Å; I134-D238 PolarHBondContact N-OD2 3.18Å; I134-D238 PolarHBondContact O-N 3.47Å; I134-L239 PolarHBondContact O-N 3.41Å
135	I	97.3	Very high	87.6	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	123.4	171.7	-55.3	178.8	0	0	0	108.9	V137 I152 F158 I215 V216 I217 L239 V241 V315 L319	I135-V137 HydrophobicContact CG2-CG2 4.3Å; I135-I152 HydrophobicContact CD1-CG2 3.9Å; I135-F158 HydrophobicContact CD1-CD2 4.13Å; I135-F158 HydrophobicContact CD1-CE2 3.79Å; I135-F158 HydrophobicContact CG1-CE2 4.27Å; I135-I215 PolarHBondContact N-O 3.09Å; I135-V216 HydrophobicContact CB-CG2 4.44Å; I135-V216 WeakPolarHBondContact O-CA 3.46Å; I135-I217 PolarHBondContact O-N 2.86Å; I135-L239 CarbonylContact C-O 3.54Å; I135-L239 VanDerWaalsContact CA-O 3.32Å; I135-L239 WeakPolarHBondContact CA-O 3.39Å; I135-L239 HydrophobicContact CG1-CB 4.41Å; I135-L239 HydrophobicContact CG2-CG 4.47Å; I135-V241 HydrophobicContact CG2-CG2 3.96Å; I135-V315 HydrophobicContact CD1-CG1 4.05Å; I135-V315 HydrophobicContact CD1-CG2 4.17Å; I135-L319 HydrophobicContact CD1-CD1 3.71Å; I135-L319 HydrophobicContact CG1-CD1 3.88Å
136	L	97.8	Very high	88.2	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	132.1	172.4	-53.3	-179.4	0	0	0	109.5	I134 I217 F230 P237 L239 V240 V241 F289	I134-L136 HydrophobicContact CG2-CD2 3.86Å; I134-L136 HydrophobicContact CG2-CG 4.43Å; L136-I217 HydrophobicContact CD2-CB 3.75Å; L136-I217 HydrophobicContact CD2-CD1 3.91Å; L136-I217 HydrophobicContact CD2-CG1 4.13Å; L136-I217 HydrophobicContact CD2-CG2 4.41Å; L136-F230 HydrophobicContact CD1-CD1 4.48Å; L136-F230 HydrophobicContact CD1-CE1 4.45Å; L136-F230 HydrophobicContact CD2-CE1 4.34Å; L136-F230 HydrophobicContact CD2-CZ 4.26Å; L136-P237 HydrophobicContact CD1-CB 3.67Å; L136-P237 HydrophobicContact CD1-CG 3.66Å; L136-P237 HydrophobicContact CG-CB 3.71Å; L136-P237 HydrophobicContact CG-CG 4.24Å; L136-L239 PolarHBondContact N-O 3.16Å; L136-V240 HydrophobicContact CB-CG1 4.47Å; L136-V240 HydrophobicContact CB-CG2 4.25Å; L136-V240 HydrophobicContact CD1-CG2 4.31Å; L136-V240 CarbonylContact O-C 3.59Å; L136-V240 WeakPolarHBondContact O-CA 3.3Å; L136-V241 PolarHBondContact O-N 3.16Å; L136-F289 HydrophobicContact CD1-CZ 4.3Å
137	V	97.3	Very high	89.1	Confident	0 Å²	0	39 Å²	39	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	112.2	178.3	-172	0	0	0	0	109.7	I135 K145 S149 I152 V216 I217 G219 V241 L243	I135-V137 HydrophobicContact CG2-CG2 4.3Å; V137-K145 HydrophobicContact CG1-CB 3.96Å; V137-K145 HydrophobicContact CG1-CG 4.07Å; V137-S149 WeakPolarHBondContact CB-OG 3.26Å; V137-S149 WeakPolarHBondContact CG2-OG 3.43Å; V137-I152 HydrophobicContact CG2-CD1 4.23Å; V137-V216 HydrophobicContact CG2-CG1 3.76Å; V137-I217 PolarHBondContact N-O 2.86Å; V137-G219 PolarHBondContact O-N 2.94Å; V137-G219 VanDerWaalsContact O-N 3.17Å; V137-V241 WeakPolarHBondContact CA-O 3.47Å; V137-V241 HydrophobicContact CG1-CB 4.49Å; V137-V241 HydrophobicContact CG1-CG1 4.48Å; V137-V241 HydrophobicContact CG2-CB 4.36Å; V137-L243 HydrophobicContact CG1-CD1 4.37Å
138	I	95.8	Very high	90.2	Very high	6 Å²	6	34.6 Å²	34.6	3%	0.031	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	159.8	-176.4	58.8	157.7	0	0	0	111.7	P221 V240 V241 F242 L243 L285 V286 I295	I138-P221 HydrophobicContact CG2-CG 4.45Å; I138-P221 WeakPolarHBondContact CG2-O 3.41Å; I138-V240 HydrophobicContact CD1-CG1 3.69Å; I138-V240 HydrophobicContact CG1-CG1 3.63Å; I138-V240 HydrophobicContact CG2-CG1 4.46Å; I138-V241 WeakPolarHBondContact CG1-O 3.43Å; I138-V241 PolarHBondContact N-O 3.26Å; I138-F242 HydrophobicContact CD1-CB 4.06Å; I138-F242 HydrophobicContact CD1-CD2 3.76Å; I138-F242 HydrophobicContact CD1-CG 4.26Å; I138-F242 HydrophobicContact CG1-CB 3.95Å; I138-F242 HydrophobicContact CG1-CD2 3.81Å; I138-F242 HydrophobicContact CG1-CG 4.35Å; I138-F242 WeakPolarHBondContact O-CA 3.24Å; I138-L243 PolarHBondContact O-N 3.32Å; I138-L285 HydrophobicContact CD1-CD2 4.45Å; I138-V286 HydrophobicContact CD1-CG2 4.46Å; I138-I295 HydrophobicContact CD1-CD1 3.88Å
139	G	92.4	Very high	91.2	Very high	11 Å²	11	29 Å²	29	11%	0.113	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	146.8	169	-173.5	0	0	0	0	0	113.3	K145	G139-K145 WeakPolarHBondContact O-CE 3.3Å; G139-K145 PolarHBondContact O-NZ 3.1Å
140	G	90.6	Very high	92.1	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.01	15%	0.15	C	C	.	.			trans	-64.9	152.3	-173.8	0	0	0	0	0	113.5	G142 S143 K145	G140-G142 PolarHBondContact O-N 3.01Å; G140-G142 VanDerWaalsContact O-N 3.15Å; G140-S143 VanDerWaalsContact O-CB 3.27Å; G140-S143 WeakPolarHBondContact O-CB 3.31Å; G140-S143 PolarHBondContact O-N 3.07Å; G140-S143 PolarHBondContact O-OG 3.49Å; G140-K145 PolarHBondContact O-NZ 3.44Å
141	P	88.5	Confident	93	Very high	12 Å²	12	21.7 Å²	21.7	8%	0.078	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	124.4	171.7	28	-35.1	0	0	0	108.8	L250 L254 R274 L275	P141-L250 WeakPolarHBondContact O-CD2 3.31Å; P141-L254 HydrophobicContact CB-CD1 3.88Å; P141-L254 HydrophobicContact CB-CD2 3.98Å; P141-L254 HydrophobicContact CB-CG 4.47Å; P141-L254 HydrophobicContact CG-CD1 3.89Å; P141-L254 VanDerWaalsContact O-CD1 3.3Å; P141-L254 WeakPolarHBondContact O-CD1 3.3Å; P141-R274 HydrophobicContact CB-CB 4.42Å; P141-R274 HydrophobicContact CG-CB 4.01Å; P141-L275 HydrophobicContact CG-CD2 3.76Å; P141-L275 HydrophobicContact CG-CG 4.06Å
142	G	87	Confident	93.5	Very high	5 Å²	5	16.9 Å²	16.9	5%	0.052	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.4	-3.3	-174.2	0	0	0	0	0	116	G140 G144 R253	G140-G142 PolarHBondContact O-N 3.01Å; G140-G142 VanDerWaalsContact O-N 3.15Å; G142-G144 PolarHBondContact O-N 3.35Å; G142-G144 VanDerWaalsContact O-N 3.15Å; G142-R253 WeakPolarHBondContact O-CD 3.4Å
143	S	91.4	Very high	93.7	Very high	2 Å²	2	17 Å²	17	1%	0.014	10%	0.101	C	C	.	.	S	Bend	trans	-72.4	-2	179.7	68.5	0	0	0	0	115.3	G140 K145 L250 A300	G140-S143 VanDerWaalsContact O-CB 3.27Å; G140-S143 WeakPolarHBondContact O-CB 3.31Å; G140-S143 PolarHBondContact O-N 3.07Å; G140-S143 PolarHBondContact O-OG 3.49Å; S143-K145 WeakPolarHBondContact OG-CG 3.13Å; S143-L250 VanDerWaalsContact N-CD2 3.32Å; S143-A300 WeakPolarHBondContact O-CB 3.27Å
144	G	90.1	Very high	93.8	Very high	17 Å²	17	20.7 Å²	20.7	18%	0.175	12%	0.119	C	C	.	.	S	Bend	trans	90.5	8.8	-177.9	0	0	0	0	0	115.6	G142 G146 T147 Q148	G142-G144 PolarHBondContact O-N 3.35Å; G142-G144 VanDerWaalsContact O-N 3.15Å; G144-G146 PolarHBondContact O-N 3.42Å; G144-T147 WeakPolarHBondContact O-CB 3.23Å; G144-T147 PolarHBondContact O-N 3.37Å; G144-T147 VanDerWaalsContact O-N 3.08Å; G144-Q148 PolarHBondContact O-N 2.87Å
145	K	92.9	Very high	93.7	Very high	25 Å²	25	26.4 Å²	26.4	11%	0.109	14%	0.141	C	C	.	.	H	α-helix	trans	-49.1	-50.5	-179	-63	179.3	-68.1	-63.8	0	114.1	V137 G139 G140 S143 T147 Q148 S149 D218 L243	V137-K145 HydrophobicContact CG1-CB 3.96Å; V137-K145 HydrophobicContact CG1-CG 4.07Å; G139-K145 WeakPolarHBondContact O-CE 3.3Å; G139-K145 PolarHBondContact O-NZ 3.1Å; G140-K145 PolarHBondContact O-NZ 3.44Å; S143-K145 WeakPolarHBondContact OG-CG 3.13Å; K145-T147 VanDerWaalsContact C-N 3.32Å; K145-T147 PolarHBondContact O-N 3.35Å; K145-Q148 PolarHBondContact O-N 3.28Å; K145-S149 WeakPolarHBondContact O-CB 3.28Å; K145-S149 PolarHBondContact O-N 2.98Å; K145-S149 PolarHBondContact O-OG 3.21Å; K145-D218 WeakPolarHBondContact CB-OD1 3.03Å; K145-L243 HydrophobicContact CB-CD1 4.28Å; K145-L243 HydrophobicContact CG-CD1 3.96Å
146	G	91.3	Very high	93.5	Very high	22 Å²	22	28 Å²	28	23%	0.227	15%	0.147	C	C	.	.	H	α-helix	trans	-60.5	-42.9	-179.1	0	0	0	0	0	112.1	G144 S149 L150 D218	G144-G146 PolarHBondContact O-N 3.42Å; G146-S149 PolarHBondContact O-N 3.24Å; G146-L150 WeakPolarHBondContact O-CG 3.3Å; G146-L150 PolarHBondContact O-N 2.75Å; G146-D218 VanDerWaalsContact CA-OD2 3.28Å; G146-D218 WeakPolarHBondContact CA-OD2 3.45Å
147	T	92.6	Very high	93.3	Very high	52 Å²	52	30.5 Å²	30.5	32%	0.319	17%	0.174	S	C	.	.	H	α-helix	trans	-63.3	-50.5	177.8	-43.9	0	0	0	0	111.8	G144 K145 S149 L150 K151 E304	G144-T147 WeakPolarHBondContact O-CB 3.23Å; G144-T147 PolarHBondContact O-N 3.37Å; G144-T147 VanDerWaalsContact O-N 3.08Å; K145-T147 VanDerWaalsContact C-N 3.32Å; K145-T147 PolarHBondContact O-N 3.35Å; T147-S149 VanDerWaalsContact C-N 3.32Å; T147-S149 PolarHBondContact O-N 3.23Å; T147-L150 PolarHBondContact O-N 2.93Å; T147-K151 PolarHBondContact O-N 2.83Å; T147-K151 VanDerWaalsContact O-N 3.12Å; T147-E304 HydrophobicContact CG2-CG 4.28Å; T147-E304 WeakPolarHBondContact CG2-OE1 3.44Å; T147-E304 WeakPolarHBondContact CG2-OE2 3.49Å
148	Q	95.3	Very high	93.2	Very high	7 Å²	7	31.2 Å²	31.2	3%	0.033	18%	0.177	C	C	.	.	H	α-helix	trans	-64.4	-38.6	178.8	-64.6	-61.9	-12.2	0	0	111.7	G144 K145 L150 K151 I152 L243 E304 F308 I311	G144-Q148 PolarHBondContact O-N 2.87Å; K145-Q148 PolarHBondContact O-N 3.28Å; Q148-L150 VanDerWaalsContact C-N 3.35Å; Q148-L150 PolarHBondContact O-N 2.73Å; Q148-K151 PolarHBondContact O-N 3.38Å; Q148-I152 WeakPolarHBondContact O-CD1 3.22Å; Q148-I152 WeakPolarHBondContact O-CG1 3.49Å; Q148-I152 PolarHBondContact O-N 2.95Å; Q148-L243 HydrophobicContact CB-CD1 4.24Å; Q148-L243 HydrophobicContact CG-CD1 4Å; Q148-L243 HydrophobicContact CG-CD2 4.45Å; Q148-E304 PolarHBondContact NE2-O 3.44Å; Q148-F308 VanDerWaalsContact OE1-CB 3.26Å; Q148-I311 HydrophobicContact CB-CD1 4.19Å; Q148-I311 HydrophobicContact CG-CD1 4.1Å
149	S	96.6	Very high	93.2	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-64.1	-38.9	178.1	-57.7	0	0	0	0	112.5	V137 K145 G146 T147 A153 Y160	V137-S149 WeakPolarHBondContact CB-OG 3.26Å; V137-S149 WeakPolarHBondContact CG2-OG 3.43Å; K145-S149 WeakPolarHBondContact O-CB 3.28Å; K145-S149 PolarHBondContact O-N 2.98Å; K145-S149 PolarHBondContact O-OG 3.21Å; G146-S149 PolarHBondContact O-N 3.24Å; T147-S149 VanDerWaalsContact C-N 3.32Å; T147-S149 PolarHBondContact O-N 3.23Å; S149-A153 VanDerWaalsContact O-CB 3.31Å; S149-A153 WeakPolarHBondContact O-CB 3.41Å; S149-A153 PolarHBondContact O-N 3.39Å; S149-Y160 VanDerWaalsContact CB-CE2 3.45Å
150	L	95.6	Very high	93.4	Very high	76 Å²	76	35.8 Å²	35.8	40%	0.398	19%	0.193	S	C	.	.	H	α-helix	trans	-64.2	-46.8	174.1	-78.2	164.3	0	0	0	111.1	G146 T147 Q148 I152 A153 E154 Y160	G146-L150 WeakPolarHBondContact O-CG 3.3Å; G146-L150 PolarHBondContact O-N 2.75Å; T147-L150 PolarHBondContact O-N 2.93Å; Q148-L150 VanDerWaalsContact C-N 3.35Å; Q148-L150 PolarHBondContact O-N 2.73Å; L150-I152 VanDerWaalsContact C-N 3.33Å; L150-I152 PolarHBondContact O-N 3.48Å; L150-A153 WeakPolarHBondContact O-CB 3.37Å; L150-A153 PolarHBondContact O-N 2.91Å; L150-E154 WeakPolarHBondContact O-CG 3.39Å; L150-E154 PolarHBondContact O-N 3.3Å; L150-Y160 HydrophobicContact CD2-CD1 3.63Å; L150-Y160 HydrophobicContact CD2-CE1 3.9Å; L150-Y160 HydrophobicContact CD2-CG 3.99Å; L150-Y160 HydrophobicContact CG-CD1 4.29Å; L150-Y160 HydrophobicContact CG-CE1 4.17Å
151	K	95.7	Very high	93.6	Very high	36 Å²	36	36 Å²	36	16%	0.157	19%	0.194	C	C	.	.	H	α-helix	trans	-61.6	-39.5	176.9	-67.8	-173.1	175.8	175.7	0	112.5	T147 Q148 R155 E304 D305 F308	T147-K151 PolarHBondContact O-N 2.83Å; T147-K151 VanDerWaalsContact O-N 3.12Å; Q148-K151 PolarHBondContact O-N 3.38Å; K151-R155 WeakPolarHBondContact O-CB 3.29Å; K151-R155 PolarHBondContact O-N 3.36Å; K151-E304 WeakPolarHBondContact CE-OE1 3.15Å; K151-E304 IonicContact NZ-OE1 2.79Å; K151-E304 PolarHBondContact NZ-OE1 3.21Å; K151-D305 IonicContact NZ-OD1 2.76Å; K151-D305 PolarHBondContact NZ-OD1 2.82Å; K151-F308 VanDerWaalsContact C-CE2 3.44Å; K151-F308 HydrophobicContact CB-CD1 4.27Å; K151-F308 HydrophobicContact CB-CD2 3.49Å; K151-F308 VanDerWaalsContact CB-CD2 3.49Å; K151-F308 HydrophobicContact CB-CE1 4.07Å; K151-F308 HydrophobicContact CB-CE2 3.28Å; K151-F308 HydrophobicContact CB-CG 4Å; K151-F308 HydrophobicContact CB-CZ 3.59Å; K151-F308 HydrophobicContact CD-CB 4.03Å; K151-F308 HydrophobicContact CD-CD1 3.94Å; K151-F308 HydrophobicContact CD-CD2 4Å; K151-F308 HydrophobicContact CD-CE1 4.44Å; K151-F308 HydrophobicContact CD-CG 3.69Å; K151-F308 HydrophobicContact CG-CD2 4.4Å; K151-F308 WeakPolarHBondContact O-CZ 3.07Å
152	I	95.9	Very high	93.9	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-62.8	-48.7	174	-63.7	162.4	0	0	0	109.7	I135 V137 Q148 L150 E154 R155 Y156 V216 F308 I311	I135-I152 HydrophobicContact CD1-CG2 3.9Å; V137-I152 HydrophobicContact CG2-CD1 4.23Å; Q148-I152 WeakPolarHBondContact O-CD1 3.22Å; Q148-I152 WeakPolarHBondContact O-CG1 3.49Å; Q148-I152 PolarHBondContact O-N 2.95Å; L150-I152 VanDerWaalsContact C-N 3.33Å; L150-I152 PolarHBondContact O-N 3.48Å; I152-E154 VanDerWaalsContact C-N 3.35Å; I152-E154 PolarHBondContact O-N 3Å; I152-R155 PolarHBondContact O-N 2.88Å; I152-Y156 HydrophobicContact CG2-CD2 3.85Å; I152-Y156 HydrophobicContact CG2-CE2 4.31Å; I152-Y156 VanDerWaalsContact O-CD2 3.27Å; I152-Y156 WeakPolarHBondContact O-CD2 3.44Å; I152-Y156 PolarHBondContact O-N 2.9Å; I152-Y156 VanDerWaalsContact O-N 3.08Å; I152-V216 HydrophobicContact CB-CG2 4.3Å; I152-V216 HydrophobicContact CG2-CG2 3.69Å; I152-F308 HydrophobicContact CG1-CE2 4.05Å; I152-I311 HydrophobicContact CD1-CG2 3.72Å; I152-I311 HydrophobicContact CG1-CG2 3.92Å
153	A	95.3	Very high	94.1	Very high	8 Å²	8	36.3 Å²	36.3	7%	0.066	20%	0.195	C	C	.	.	H	α-helix	trans	-57.4	-46.6	179.2	0	0	0	0	0	112.1	S149 L150 G157 F158 V216	S149-A153 VanDerWaalsContact O-CB 3.31Å; S149-A153 WeakPolarHBondContact O-CB 3.41Å; S149-A153 PolarHBondContact O-N 3.39Å; L150-A153 WeakPolarHBondContact O-CB 3.37Å; L150-A153 PolarHBondContact O-N 2.91Å; A153-G157 CarbonylContact O-C 3.59Å; A153-G157 WeakPolarHBondContact O-CA 3.02Å; A153-G157 PolarHBondContact O-N 3.1Å; A153-F158 VanDerWaalsContact CB-O 3.29Å; A153-F158 WeakPolarHBondContact CB-O 3.37Å; A153-F158 PolarHBondContact O-N 3.46Å; A153-V216 HydrophobicContact CB-CG2 4.39Å
154	E	95	Very high	94	Very high	154 Å²	154	36.7 Å²	36.7	72%	0.72	20%	0.2	S	C	*	.	H	α-helix	trans	-64.6	-46	178.1	-72.5	175.1	178.9	0	0	112.7	L150 I152 Y156	L150-E154 WeakPolarHBondContact O-CG 3.39Å; L150-E154 PolarHBondContact O-N 3.3Å; I152-E154 VanDerWaalsContact C-N 3.35Å; I152-E154 PolarHBondContact O-N 3Å; E154-Y156 PolarHBondContact O-N 3.4Å
155	R	94.5	Very high	93.9	Very high	120 Å²	120	41.3 Å²	41.3	45%	0.453	22%	0.217	S	C	.	.	H	α-helix	trans	-64.8	-40	-178	177	173.9	175	136.3	-2.5	112.9	K151 I152 F308 S312 D316	K151-R155 WeakPolarHBondContact O-CB 3.29Å; K151-R155 PolarHBondContact O-N 3.36Å; I152-R155 PolarHBondContact O-N 2.88Å; R155-F308 HydrophobicContact CB-CZ 3.98Å; R155-S312 WeakPolarHBondContact CD-OG 3.45Å; R155-S312 PolarHBondContact NH1-OG 3.02Å; R155-D316 IonicContact CZ-OD2 3.41Å; R155-D316 IonicContact NH2-OD2 3.61Å; R155-D316 PolarHBondContact NH2-OD2 2.78Å
156	Y	93.3	Very high	93.7	Very high	32 Å²	32	41.7 Å²	41.7	13%	0.125	22%	0.22	C	C	.	.	H	α-helix	trans	-100.4	-0.6	-174.5	-63.8	-73	0	0	0	113.7	I152 E154 F158 S312 V315 D316 F320	I152-Y156 HydrophobicContact CG2-CD2 3.85Å; I152-Y156 HydrophobicContact CG2-CE2 4.31Å; I152-Y156 VanDerWaalsContact O-CD2 3.27Å; I152-Y156 WeakPolarHBondContact O-CD2 3.44Å; I152-Y156 PolarHBondContact O-N 2.9Å; I152-Y156 VanDerWaalsContact O-N 3.08Å; E154-Y156 PolarHBondContact O-N 3.4Å; Y156-F158 VanDerWaalsContact C-N 3.26Å; Y156-F158 VanDerWaalsContact O-CD1 3.28Å; Y156-F158 WeakPolarHBondContact O-CD1 3.23Å; Y156-F158 PolarHBondContact O-N 2.83Å; Y156-S312 PolarHBondContact OH-O 2.88Å; Y156-V315 HydrophobicContact CD1-CG1 4.43Å; Y156-V315 HydrophobicContact CD2-CG1 4.06Å; Y156-V315 HydrophobicContact CE1-CG1 3.95Å; Y156-V315 HydrophobicContact CE2-CB 3.93Å; Y156-V315 HydrophobicContact CE2-CG1 3.53Å; Y156-V315 HydrophobicContact CE2-CG2 4.42Å; Y156-V315 HydrophobicContact CG-CG1 4.49Å; Y156-V315 VanDerWaalsContact CZ-CG1 3.47Å; Y156-D316 VanDerWaalsContact CE1-OD1 3.28Å; Y156-D316 WeakPolarHBondContact CE1-OD1 3.4Å; Y156-D316 VanDerWaalsContact OH-CG 3.24Å; Y156-D316 PolarHBondContact OH-OD1 3.47Å; Y156-D316 VanDerWaalsContact OH-OD1 3.09Å; Y156-D316 PolarHBondContact OH-OD2 3.08Å; Y156-F320 HydrophobicContact CD1-CD2 4.33Å; Y156-F320 AromaticContact CD1-CE2 3.64Å; Y156-F320 HydrophobicContact CD1-CE2 3.64Å; Y156-F320 HydrophobicContact CD1-CZ 4.36Å; Y156-F320 HydrophobicContact CE1-CD2 4.15Å; Y156-F320 AromaticContact CE1-CE2 3.88Å; Y156-F320 HydrophobicContact CE1-CE2 3.88Å; Y156-F320 HydrophobicContact CG-CE2 4.49Å
157	G	93.3	Very high	93.6	Very high	55 Å²	55	41.1 Å²	41.1	57%	0.567	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.4	31.4	-175.1	0	0	0	0	0	112.8	A153	A153-G157 CarbonylContact O-C 3.59Å; A153-G157 WeakPolarHBondContact O-CA 3.02Å; A153-G157 PolarHBondContact O-N 3.1Å
158	F	95.3	Very high	93.2	Very high	14 Å²	14	40.7 Å²	40.7	6%	0.061	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-91.6	150.9	-178.9	-71.9	2.4	0	0	0	111.3	K133 I135 A153 Y156 Y160 G214 V216 L319 F320	K133-F158 HydrophobicContact CB-CE2 4.09Å; K133-F158 HydrophobicContact CB-CZ 3.86Å; K133-F158 HydrophobicContact CG-CZ 4.44Å; I135-F158 HydrophobicContact CD1-CD2 4.13Å; I135-F158 HydrophobicContact CD1-CE2 3.79Å; I135-F158 HydrophobicContact CG1-CE2 4.27Å; A153-F158 VanDerWaalsContact CB-O 3.29Å; A153-F158 WeakPolarHBondContact CB-O 3.37Å; A153-F158 PolarHBondContact O-N 3.46Å; Y156-F158 VanDerWaalsContact C-N 3.26Å; Y156-F158 VanDerWaalsContact O-CD1 3.28Å; Y156-F158 WeakPolarHBondContact O-CD1 3.23Å; Y156-F158 PolarHBondContact O-N 2.83Å; F158-Y160 PolarHBondContact O-N 3.32Å; F158-G214 CarbonylContact C-O 3.52Å; F158-G214 VanDerWaalsContact CA-O 3.29Å; F158-G214 WeakPolarHBondContact CA-O 3.04Å; F158-G214 WeakPolarHBondContact CB-O 3.44Å; F158-G214 VanDerWaalsContact CD1-CA 3.46Å; F158-G214 VanDerWaalsContact CG-C 3.48Å; F158-V216 HydrophobicContact CB-CG2 3.9Å; F158-V216 HydrophobicContact CD2-CG2 3.91Å; F158-V216 HydrophobicContact CG-CG2 4.44Å; F158-L319 HydrophobicContact CE2-CD1 4.48Å; F158-F320 HydrophobicContact CE1-CZ 4.42Å; F158-F320 HydrophobicContact CZ-CE2 4.48Å; F158-F320 AromaticContact CZ-CZ 3.99Å; F158-F320 HydrophobicContact CZ-CZ 3.99Å
159	Q	95.6	Very high	92.9	Very high	64 Å²	64	48 Å²	48	30%	0.299	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	122.1	174.9	-177.8	54.9	50.3	0	0	111	I209 E212 G214 I215 V216	Q159-I209 HydrophobicContact CB-CD1 4.18Å; Q159-I209 HydrophobicContact CG-CD1 3.57Å; Q159-E212 HydrophobicContact CB-CB 4.48Å; Q159-E212 HydrophobicContact CB-CG 3.91Å; Q159-G214 PolarHBondContact N-O 3.37Å; Q159-I215 WeakPolarHBondContact O-CA 3.37Å; Q159-V216 PolarHBondContact O-N 2.92Å
160	Y	95.9	Very high	92.3	Very high	49 Å²	49	50.4 Å²	50.4	19%	0.192	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	133.1	175.1	174.7	-116.4	0	0	0	111.8	S149 L150 F158 S162 D218	S149-Y160 VanDerWaalsContact CB-CE2 3.45Å; L150-Y160 HydrophobicContact CD2-CD1 3.63Å; L150-Y160 HydrophobicContact CD2-CE1 3.9Å; L150-Y160 HydrophobicContact CD2-CG 3.99Å; L150-Y160 HydrophobicContact CG-CD1 4.29Å; L150-Y160 HydrophobicContact CG-CE1 4.17Å; F158-Y160 PolarHBondContact O-N 3.32Å; Y160-S162 WeakPolarHBondContact OH-CB 3.47Å; Y160-D218 HydrophobicContact CE2-CB 3.67Å; Y160-D218 PolarHBondContact OH-OD2 2.89Å
161	I	95.4	Very high	91.8	Very high	6 Å²	6	48 Å²	48	3%	0.031	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	112.5	173.7	-56.5	178.5	0	0	0	109.8	K205 L206 I209 I215 V216 I217 D218	I161-K205 HydrophobicContact CD1-CG 4.07Å; I161-K205 HydrophobicContact CG1-CG 4.47Å; I161-K205 HydrophobicContact CG2-CG 4.42Å; I161-L206 HydrophobicContact CD1-CD2 3.81Å; I161-I209 HydrophobicContact CD1-CD1 3.91Å; I161-I215 HydrophobicContact CD1-CG2 3.61Å; I161-I215 HydrophobicContact CG1-CG2 4.14Å; I161-V216 PolarHBondContact N-O 2.96Å; I161-I217 WeakPolarHBondContact O-CA 3.29Å; I161-D218 PolarHBondContact O-N 3.32Å
162	S	93.9	Very high	91.2	Very high	18 Å²	18	52.8 Å²	52.8	13%	0.126	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	110.4	167.1	-168.5	0	0	0	0	110.6	Y160 G164 E165 L166	Y160-S162 WeakPolarHBondContact OH-CB 3.47Å; S162-G164 VanDerWaalsContact C-N 3.25Å; S162-G164 PolarHBondContact O-N 3.38Å; S162-E165 PolarHBondContact O-N 2.76Å; S162-E165 VanDerWaalsContact O-N 3.09Å; S162-L166 WeakPolarHBondContact O-CB 3.43Å; S162-L166 PolarHBondContact O-N 2.67Å
163	V	92.6	Very high	90.4	Very high	5 Å²	5	56.9 Å²	56.9	3%	0.03	28%	0.284	C	S	.	.	H	α-helix	trans	-62.9	-36.8	179.8	178.1	0	0	0	0	111.3	E165 L166 L167 T198 I202 I217 D218 F220	V163-E165 VanDerWaalsContact C-N 3.31Å; V163-E165 PolarHBondContact O-N 3.43Å; V163-L166 PolarHBondContact O-N 2.96Å; V163-L167 HydrophobicContact CG1-CD1 4.23Å; V163-L167 WeakPolarHBondContact O-CG 3.43Å; V163-L167 PolarHBondContact O-N 3.33Å; V163-L167 VanDerWaalsContact O-N 3.1Å; V163-T198 HydrophobicContact CG1-CG2 3.53Å; V163-I202 HydrophobicContact CG1-CD1 4.22Å; V163-I202 HydrophobicContact CG1-CG1 4.41Å; V163-I202 HydrophobicContact CG2-CD1 3.79Å; V163-I202 HydrophobicContact CG2-CG1 3.95Å; V163-I217 HydrophobicContact CG2-CG2 3.51Å; V163-D218 PolarHBondContact N-O 3.45Å; V163-F220 HydrophobicContact CB-CB 3.99Å; V163-F220 HydrophobicContact CG1-CB 4.28Å; V163-F220 HydrophobicContact CG1-CD2 4.41Å; V163-F220 HydrophobicContact CG2-CB 3.5Å; V163-F220 VanDerWaalsContact CG2-CB 3.5Å; V163-F220 HydrophobicContact CG2-CG 4.1Å
164	G	87.4	Confident	89.5	Confident	10 Å²	10	58.1 Å²	58.1	10%	0.103	29%	0.292	C	S	.	.	H	α-helix	trans	-62.7	-37.8	175.7	0	0	0	0	0	112.8	S162 R168	S162-G164 VanDerWaalsContact C-N 3.25Å; S162-G164 PolarHBondContact O-N 3.38Å; G164-R168 VanDerWaalsContact C-CZ 3.45Å; G164-R168 WeakPolarHBondContact O-CG 3.41Å; G164-R168 PolarHBondContact O-N 3.5Å; G164-R168 PolarHBondContact O-NE 3.46Å; G164-R168 PolarHBondContact O-NH1 2.97Å; G164-R168 PolarHBondContact O-NH2 2.93Å
165	E	87.8	Confident	88.1	Confident	115 Å²	115	55.4 Å²	55.4	54%	0.537	29%	0.29	S	S	.	.	H	α-helix	trans	-77.1	-38.6	178.9	-164.2	174.2	178.9	0	0	112.3	S162 V163 L167 R168 K169	S162-E165 PolarHBondContact O-N 2.76Å; S162-E165 VanDerWaalsContact O-N 3.09Å; V163-E165 VanDerWaalsContact C-N 3.31Å; V163-E165 PolarHBondContact O-N 3.43Å; E165-L167 VanDerWaalsContact C-N 3.34Å; E165-L167 PolarHBondContact O-N 2.87Å; E165-R168 PolarHBondContact O-N 3.33Å; E165-K169 WeakPolarHBondContact O-CB 3.35Å; E165-K169 PolarHBondContact O-N 2.96Å
166	L	89.8	Confident	86.9	Confident	33 Å²	33	55.5 Å²	55.5	17%	0.173	31%	0.309	C	S	.	.	H	α-helix	trans	-53.6	-51.7	173.4	-178.1	65	0	0	0	111.1	S162 V163 R168 K169 K170 E201 K205	S162-L166 WeakPolarHBondContact O-CB 3.43Å; S162-L166 PolarHBondContact O-N 2.67Å; V163-L166 PolarHBondContact O-N 2.96Å; L166-R168 PolarHBondContact O-N 3.5Å; L166-K169 PolarHBondContact O-N 3.47Å; L166-K170 PolarHBondContact O-N 2.96Å; L166-E201 HydrophobicContact CD2-CB 3.84Å; L166-E201 HydrophobicContact CG-CB 4.21Å; L166-K205 HydrophobicContact CD1-CB 4.25Å; L166-K205 HydrophobicContact CD1-CD 4.5Å; L166-K205 HydrophobicContact CD1-CG 4.38Å; L166-K205 HydrophobicContact CD2-CB 4.12Å
167	L	88.5	Confident	86.3	Confident	9 Å²	9	56.4 Å²	56.4	5%	0.047	32%	0.316	C	S	.	.	H	α-helix	trans	-63	-43	177.6	-67.5	174.1	0	0	0	112.1	V163 E165 K170 I171 W180 I187 A193 T198 E201	V163-L167 HydrophobicContact CG1-CD1 4.23Å; V163-L167 WeakPolarHBondContact O-CG 3.43Å; V163-L167 PolarHBondContact O-N 3.33Å; V163-L167 VanDerWaalsContact O-N 3.1Å; E165-L167 VanDerWaalsContact C-N 3.34Å; E165-L167 PolarHBondContact O-N 2.87Å; L167-K170 PolarHBondContact O-N 3.2Å; L167-I171 WeakPolarHBondContact O-CD1 3.37Å; L167-I171 VanDerWaalsContact O-CG1 3.24Å; L167-I171 WeakPolarHBondContact O-CG1 3.4Å; L167-I171 PolarHBondContact O-N 3.49Å; L167-W180 HydrophobicContact CD2-CH2 4.41Å; L167-W180 HydrophobicContact CD2-CZ3 4.25Å; L167-I187 HydrophobicContact CB-CD1 4.17Å; L167-I187 HydrophobicContact CD1-CD1 4.29Å; L167-A193 HydrophobicContact CD1-CB 3.64Å; L167-T198 HydrophobicContact CD1-CG2 4.47Å; L167-E201 HydrophobicContact CD2-CB 4.41Å; L167-E201 HydrophobicContact CD2-CG 4.09Å
168	R	85.4	Confident	85.5	Confident	43 Å²	43	64.6 Å²	64.6	16%	0.162	33%	0.329	C	S	.	.	H	α-helix	trans	-62.4	-44.1	176.6	-77.5	-173.7	-62.7	-87.5	-4.4	111.5	G164 E165 L166 K170 I171 H172	G164-R168 VanDerWaalsContact C-CZ 3.45Å; G164-R168 WeakPolarHBondContact O-CG 3.41Å; G164-R168 PolarHBondContact O-N 3.5Å; G164-R168 PolarHBondContact O-NE 3.46Å; G164-R168 PolarHBondContact O-NH1 2.97Å; G164-R168 PolarHBondContact O-NH2 2.93Å; E165-R168 PolarHBondContact O-N 3.33Å; L166-R168 PolarHBondContact O-N 3.5Å; R168-K170 VanDerWaalsContact C-N 3.32Å; R168-K170 PolarHBondContact O-N 3.12Å; R168-I171 WeakPolarHBondContact O-CB 3.41Å; R168-I171 PolarHBondContact O-N 3.07Å; R168-H172 PolarHBondContact O-N 3.42Å; R168-H172 PolarHBondContact O-ND1 2.73Å
169	K	87.3	Confident	84.7	Confident	161 Å²	161	69.1 Å²	69.1	70%	0.7	35%	0.349	S	S	*	.	H	α-helix	trans	-61.3	-43.1	178.6	-171.2	174.3	-179.5	177.1	0	110.8	E165 L166 H172 S173	E165-K169 WeakPolarHBondContact O-CB 3.35Å; E165-K169 PolarHBondContact O-N 2.96Å; L166-K169 PolarHBondContact O-N 3.47Å; K169-H172 PolarHBondContact O-N 3.19Å; K169-S173 PolarHBondContact O-N 3.35Å; K169-S173 PolarHBondContact O-OG 2.96Å
170	K	86	Confident	84.2	Confident	50 Å²	50	66.8 Å²	66.8	22%	0.217	34%	0.337	C	S	.	.	H	α-helix	trans	-64.1	-39.7	177.2	-161.1	61.7	165.5	-95.1	0	112.6	L166 L167 R168 H172 S173 T174 W180 E201 Q204	L166-K170 PolarHBondContact O-N 2.96Å; L167-K170 PolarHBondContact O-N 3.2Å; R168-K170 VanDerWaalsContact C-N 3.32Å; R168-K170 PolarHBondContact O-N 3.12Å; K170-H172 VanDerWaalsContact C-N 3.34Å; K170-H172 PolarHBondContact O-N 2.82Å; K170-S173 WeakPolarHBondContact CA-OG 3.28Å; K170-S173 PolarHBondContact O-N 3.26Å; K170-S173 PolarHBondContact O-OG 3.27Å; K170-T174 WeakPolarHBondContact O-CB 3Å; K170-T174 PolarHBondContact O-N 3.43Å; K170-T174 PolarHBondContact O-OG1 2.64Å; K170-W180 HydrophobicContact CB-CE3 4.4Å; K170-W180 HydrophobicContact CB-CH2 3.97Å; K170-W180 HydrophobicContact CB-CZ2 4.3Å; K170-W180 HydrophobicContact CB-CZ3 4.01Å; K170-W180 HydrophobicContact CD-CZ2 4.37Å; K170-W180 HydrophobicContact CG-CD2 4.11Å; K170-W180 HydrophobicContact CG-CE3 4.22Å; K170-W180 HydrophobicContact CG-CH2 3.46Å; K170-W180 VanDerWaalsContact CG-CH2 3.46Å; K170-W180 HydrophobicContact CG-CZ2 3.31Å; K170-W180 HydrophobicContact CG-CZ3 3.91Å; K170-E201 IonicContact NZ-OE1 4Å; K170-E201 PolarHBondContact NZ-OE1 3.41Å; K170-E201 IonicContact NZ-OE2 2.71Å; K170-E201 PolarHBondContact NZ-OE2 2.89Å; K170-Q204 VanDerWaalsContact NZ-OE1 3.1Å
171	I	84.6	Confident	83.4	Confident	27 Å²	27	68 Å²	68	14%	0.138	35%	0.353	C	S	.	.	H	α-helix	trans	-59.7	-43.2	172.8	-72.1	161.3	0	0	0	111.6	L167 R168 S175 W180 I183 A184 I187	L167-I171 WeakPolarHBondContact O-CD1 3.37Å; L167-I171 VanDerWaalsContact O-CG1 3.24Å; L167-I171 WeakPolarHBondContact O-CG1 3.4Å; L167-I171 PolarHBondContact O-N 3.49Å; R168-I171 WeakPolarHBondContact O-CB 3.41Å; R168-I171 PolarHBondContact O-N 3.07Å; I171-S175 PolarHBondContact O-N 3.42Å; I171-W180 HydrophobicContact CG1-CE3 3.79Å; I171-W180 HydrophobicContact CG1-CZ3 4.38Å; I171-I183 HydrophobicContact CD1-CG2 4.27Å; I171-A184 HydrophobicContact CD1-CB 4.12Å; I171-A184 HydrophobicContact CG1-CB 4.26Å; I171-A184 HydrophobicContact CG2-CB 3.57Å; I171-I187 HydrophobicContact CD1-CD1 3.82Å
172	H	82.1	Confident	82.7	Confident	136 Å²	136	72.9 Å²	72.9	63%	0.63	38%	0.379	S	S	*	.	H	α-helix	trans	-71	-38.8	179.7	-71.6	79.6	0	0	0	112.1	R168 K169 K170 T174	R168-H172 PolarHBondContact O-N 3.42Å; R168-H172 PolarHBondContact O-ND1 2.73Å; K169-H172 PolarHBondContact O-N 3.19Å; K170-H172 VanDerWaalsContact C-N 3.34Å; K170-H172 PolarHBondContact O-N 2.82Å; H172-T174 VanDerWaalsContact C-N 3.33Å; H172-T174 PolarHBondContact O-N 3.15Å
173	S	78.6	Confident	82.2	Confident	85 Å²	85	72.2 Å²	72.2	59%	0.594	37%	0.374	S	S	*	.	H	α-helix	trans	-71.7	-25	179.2	59.8	0	0	0	0	113.7	K169 K170	K169-S173 PolarHBondContact O-N 3.35Å; K169-S173 PolarHBondContact O-OG 2.96Å; K170-S173 WeakPolarHBondContact CA-OG 3.28Å; K170-S173 PolarHBondContact O-N 3.26Å; K170-S173 PolarHBondContact O-OG 3.27Å
174	T	78.3	Confident	81.7	Confident	35 Å²	35	73 Å²	73	22%	0.215	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.2	40.5	-172	-39.7	0	0	0	0	111.7	K170 H172 S176 N177 W180	K170-T174 WeakPolarHBondContact O-CB 3Å; K170-T174 PolarHBondContact O-N 3.43Å; K170-T174 PolarHBondContact O-OG1 2.64Å; H172-T174 VanDerWaalsContact C-N 3.33Å; H172-T174 PolarHBondContact O-N 3.15Å; T174-S176 PolarHBondContact O-N 2.59Å; T174-S176 VanDerWaalsContact O-N 3.15Å; T174-N177 HydrophobicContact CG2-CB 3.51Å; T174-N177 PolarHBondContact O-N 3.36Å; T174-W180 HydrophobicContact CG2-CG 4.44Å
175	S	64.3	Low	81.5	Confident	97 Å²	97	79.7 Å²	79.7	68%	0.678	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-18.1	-173	54.6	0	0	0	0	115.2	I171	I171-S175 PolarHBondContact O-N 3.42Å
176	S	69	Low	81.3	Confident	122 Å²	122	76 Å²	76	85%	0.853	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-12.1	174.6	54.4	0	0	0	0	114.3	T174	T174-S176 PolarHBondContact O-N 2.59Å; T174-S176 VanDerWaalsContact O-N 3.15Å
177	N	80.6	Confident	80.9	Confident	51 Å²	51	75.5 Å²	75.5	27%	0.273	39%	0.388	S	S	.	.			trans	-86.6	126.1	-176.8	-175.4	-35.6	0	0	0	111.5	T174 K179 W180 S181	T174-N177 HydrophobicContact CG2-CB 3.51Å; T174-N177 PolarHBondContact O-N 3.36Å; N177-K179 VanDerWaalsContact C-N 3.27Å; N177-K179 PolarHBondContact O-N 3.42Å; N177-K179 VanDerWaalsContact OD1-CB 3.28Å; N177-K179 WeakPolarHBondContact OD1-CB 3.22Å; N177-K179 PolarHBondContact OD1-N 3.14Å; N177-W180 HydrophobicContact CB-CB 4.48Å; N177-W180 PolarHBondContact O-N 2.69Å; N177-W180 VanDerWaalsContact O-N 3.15Å; N177-S181 PolarHBondContact O-N 3.16Å
178	R	77	Confident	80.6	Confident	226 Å²	226	77.9 Å²	77.9	85%	0.853	40%	0.403	S	S	*	.	H	α-helix	trans	-55.6	-37.1	180	-172.3	177.4	177.5	-176.5	-1.6	113.2	L182	R178-L182 PolarHBondContact O-N 3.06Å; R178-L182 VanDerWaalsContact O-N 3.14Å
179	K	79.3	Confident	80.3	Confident	109 Å²	109	78.1 Å²	78.1	47%	0.474	41%	0.409	S	S	.	.	H	α-helix	trans	-61.9	-51	176.7	179.9	-179.2	175.5	179	0	110.9	N177 S181 L182 I183 T197	N177-K179 VanDerWaalsContact C-N 3.27Å; N177-K179 PolarHBondContact O-N 3.42Å; N177-K179 VanDerWaalsContact OD1-CB 3.28Å; N177-K179 WeakPolarHBondContact OD1-CB 3.22Å; N177-K179 PolarHBondContact OD1-N 3.14Å; K179-S181 VanDerWaalsContact C-N 3.34Å; K179-S181 PolarHBondContact O-N 3.31Å; K179-L182 PolarHBondContact O-N 3.36Å; K179-I183 HydrophobicContact CG-CD1 3.95Å; K179-I183 WeakPolarHBondContact O-CG1 3.48Å; K179-I183 PolarHBondContact O-N 2.98Å; K179-T197 WeakPolarHBondContact CE-OG1 3.43Å
180	W	84.8	Confident	79.8	Confident	15 Å²	15	70.6 Å²	70.6	6%	0.057	38%	0.377	C	S	.	.	H	α-helix	trans	-70.6	-30.4	-178.1	-71.6	108.7	0	0	0	112.9	L167 K170 I171 T174 N177 I183 A184 T197 E201	L167-W180 HydrophobicContact CD2-CH2 4.41Å; L167-W180 HydrophobicContact CD2-CZ3 4.25Å; K170-W180 HydrophobicContact CB-CE3 4.4Å; K170-W180 HydrophobicContact CB-CH2 3.97Å; K170-W180 HydrophobicContact CB-CZ2 4.3Å; K170-W180 HydrophobicContact CB-CZ3 4.01Å; K170-W180 HydrophobicContact CD-CZ2 4.37Å; K170-W180 HydrophobicContact CG-CD2 4.11Å; K170-W180 HydrophobicContact CG-CE3 4.22Å; K170-W180 HydrophobicContact CG-CH2 3.46Å; K170-W180 VanDerWaalsContact CG-CH2 3.46Å; K170-W180 HydrophobicContact CG-CZ2 3.31Å; K170-W180 HydrophobicContact CG-CZ3 3.91Å; I171-W180 HydrophobicContact CG1-CE3 3.79Å; I171-W180 HydrophobicContact CG1-CZ3 4.38Å; T174-W180 HydrophobicContact CG2-CG 4.44Å; N177-W180 HydrophobicContact CB-CB 4.48Å; N177-W180 PolarHBondContact O-N 2.69Å; N177-W180 VanDerWaalsContact O-N 3.15Å; W180-I183 HydrophobicContact CD2-CD1 4.3Å; W180-I183 HydrophobicContact CE3-CB 4.36Å; W180-I183 HydrophobicContact CE3-CD1 3.84Å; W180-I183 HydrophobicContact CE3-CG2 4.37Å; W180-I183 HydrophobicContact CH2-CD1 4.46Å; W180-I183 HydrophobicContact CZ3-CD1 3.94Å; W180-I183 HydrophobicContact CZ3-CG2 4.35Å; W180-I183 PolarHBondContact O-N 2.91Å; W180-A184 VanDerWaalsContact O-CB 3.28Å; W180-A184 WeakPolarHBondContact O-CB 3.24Å; W180-A184 PolarHBondContact O-N 3.36Å; W180-T197 HydrophobicContact CH2-CG2 3.52Å; W180-T197 HydrophobicContact CZ2-CG2 4.06Å; W180-T197 HydrophobicContact CZ3-CG2 4.08Å; W180-E201 HydrophobicContact CH2-CG 3.74Å; W180-E201 WeakPolarHBondContact CH2-OE1 3.39Å; W180-E201 HydrophobicContact CZ2-CG 4.34Å; W180-E201 VanDerWaalsContact CZ2-OE1 3.23Å; W180-E201 WeakPolarHBondContact CZ2-OE1 3.34Å
181	S	79.4	Confident	79.7	Confident	75 Å²	75	72.7 Å²	72.7	52%	0.524	39%	0.388	S	S	.	.	H	α-helix	trans	-62.6	-42.2	170.1	-173.8	0	0	0	0	112.5	N177 K179 A184 K185	N177-S181 PolarHBondContact O-N 3.16Å; K179-S181 VanDerWaalsContact C-N 3.34Å; K179-S181 PolarHBondContact O-N 3.31Å; S181-A184 PolarHBondContact O-N 2.94Å; S181-K185 PolarHBondContact O-N 3.17Å; S181-K185 VanDerWaalsContact O-N 3.15Å
182	L	80.8	Confident	79.7	Confident	108 Å²	108	73.3 Å²	73.3	57%	0.565	39%	0.391	S	S	*	.	H	α-helix	trans	-66.5	-45.4	175.9	-176.3	63.8	0	0	0	111.7	R178 K179 A184 K185 I186	R178-L182 PolarHBondContact O-N 3.06Å; R178-L182 VanDerWaalsContact O-N 3.14Å; K179-L182 PolarHBondContact O-N 3.36Å; L182-A184 VanDerWaalsContact C-N 3.29Å; L182-A184 PolarHBondContact O-N 3.38Å; L182-K185 WeakPolarHBondContact O-CB 3.5Å; L182-K185 PolarHBondContact O-N 3.13Å; L182-K185 VanDerWaalsContact O-N 3.11Å; L182-I186 HydrophobicContact CG-CD1 4.24Å; L182-I186 WeakPolarHBondContact O-CG1 3.42Å; L182-I186 PolarHBondContact O-N 3.44Å
183	I	82.9	Confident	79.9	Confident	5 Å²	5	67.3 Å²	67.3	3%	0.026	37%	0.365	C	S	.	.	H	α-helix	trans	-61	-41.1	177.2	-65.2	165.1	0	0	0	110.6	I171 K179 W180 K185 I186 I187 A193 T197	I171-I183 HydrophobicContact CD1-CG2 4.27Å; K179-I183 HydrophobicContact CG-CD1 3.95Å; K179-I183 WeakPolarHBondContact O-CG1 3.48Å; K179-I183 PolarHBondContact O-N 2.98Å; W180-I183 HydrophobicContact CD2-CD1 4.3Å; W180-I183 HydrophobicContact CE3-CB 4.36Å; W180-I183 HydrophobicContact CE3-CD1 3.84Å; W180-I183 HydrophobicContact CE3-CG2 4.37Å; W180-I183 HydrophobicContact CH2-CD1 4.46Å; W180-I183 HydrophobicContact CZ3-CD1 3.94Å; W180-I183 HydrophobicContact CZ3-CG2 4.35Å; W180-I183 PolarHBondContact O-N 2.91Å; I183-K185 VanDerWaalsContact C-N 3.29Å; I183-K185 PolarHBondContact O-N 2.99Å; I183-I186 PolarHBondContact O-N 3.16Å; I183-I187 HydrophobicContact CG2-CD1 3.84Å; I183-I187 HydrophobicContact CG2-CG1 4.29Å; I183-I187 WeakPolarHBondContact O-CG1 3.22Å; I183-I187 PolarHBondContact O-N 2.98Å; I183-A193 HydrophobicContact CG2-CB 4.43Å; I183-T197 HydrophobicContact CD1-CG2 3.71Å
184	A	82.9	Confident	80.2	Confident	22 Å²	22	65.9 Å²	65.9	18%	0.182	35%	0.354	C	S	.	.	H	α-helix	trans	-57.4	-43.4	174.7	0	0	0	0	0	111.7	I171 W180 S181 L182 I187 T188	I171-A184 HydrophobicContact CD1-CB 4.12Å; I171-A184 HydrophobicContact CG1-CB 4.26Å; I171-A184 HydrophobicContact CG2-CB 3.57Å; W180-A184 VanDerWaalsContact O-CB 3.28Å; W180-A184 WeakPolarHBondContact O-CB 3.24Å; W180-A184 PolarHBondContact O-N 3.36Å; S181-A184 PolarHBondContact O-N 2.94Å; L182-A184 VanDerWaalsContact C-N 3.29Å; L182-A184 PolarHBondContact O-N 3.38Å; A184-I187 PolarHBondContact O-N 2.92Å; A184-T188 VanDerWaalsContact O-CB 3.31Å; A184-T188 WeakPolarHBondContact O-CB 3.49Å; A184-T188 PolarHBondContact O-N 3.29Å; A184-T188 PolarHBondContact O-OG1 2.85Å
185	K	82.1	Confident	80.6	Confident	150 Å²	150	67.2 Å²	67.2	65%	0.652	36%	0.358	S	S	*	.	H	α-helix	trans	-62	-46.1	177	-167.3	176.7	-179	-177.9	0	111.9	S181 L182 I183 T188 T189	S181-K185 PolarHBondContact O-N 3.17Å; S181-K185 VanDerWaalsContact O-N 3.15Å; L182-K185 WeakPolarHBondContact O-CB 3.5Å; L182-K185 PolarHBondContact O-N 3.13Å; L182-K185 VanDerWaalsContact O-N 3.11Å; I183-K185 VanDerWaalsContact C-N 3.29Å; I183-K185 PolarHBondContact O-N 2.99Å; K185-T188 PolarHBondContact O-N 3.43Å; K185-T189 WeakPolarHBondContact O-CG2 3.47Å; K185-T189 PolarHBondContact O-N 2.55Å; K185-T189 PolarHBondContact O-OG1 2.68Å
186	I	82.8	Confident	81.5	Confident	36 Å²	36	69.9 Å²	69.9	19%	0.185	36%	0.36	C	S	.	.	H	α-helix	trans	-58.7	-50	178	-65.7	168.4	0	0	0	110.7	L182 I183 T188 T189 G190 E191 L192	L182-I186 HydrophobicContact CG-CD1 4.24Å; L182-I186 WeakPolarHBondContact O-CG1 3.42Å; L182-I186 PolarHBondContact O-N 3.44Å; I183-I186 PolarHBondContact O-N 3.16Å; I186-T188 PolarHBondContact O-N 2.76Å; I186-T189 WeakPolarHBondContact CA-OG1 3.46Å; I186-T189 PolarHBondContact O-N 3.5Å; I186-T189 PolarHBondContact O-OG1 3.03Å; I186-G190 PolarHBondContact O-N 3.13Å; I186-E191 HydrophobicContact CG2-CB 3.59Å; I186-E191 PolarHBondContact O-N 3.47Å; I186-E191 VanDerWaalsContact O-N 3.13Å; I186-L192 VanDerWaalsContact CG2-O 3.29Å; I186-L192 WeakPolarHBondContact CG2-O 3.39Å
187	I	83.1	Confident	82.4	Confident	23 Å²	23	64.6 Å²	64.6	12%	0.118	32%	0.322	C	S	.	.	H	α-helix	trans	-65.3	-42.5	-179.5	-65.2	178.5	0	0	0	111.3	L167 I171 I183 A184 T189 G190 A193	L167-I187 HydrophobicContact CB-CD1 4.17Å; L167-I187 HydrophobicContact CD1-CD1 4.29Å; I171-I187 HydrophobicContact CD1-CD1 3.82Å; I183-I187 HydrophobicContact CG2-CD1 3.84Å; I183-I187 HydrophobicContact CG2-CG1 4.29Å; I183-I187 WeakPolarHBondContact O-CG1 3.22Å; I183-I187 PolarHBondContact O-N 2.98Å; A184-I187 PolarHBondContact O-N 2.92Å; I187-T189 PolarHBondContact O-N 3.43Å; I187-G190 PolarHBondContact O-N 3.41Å; I187-A193 HydrophobicContact CD1-CB 4.08Å; I187-A193 HydrophobicContact CG1-CB 4.22Å
188	T	80.8	Confident	82.9	Confident	59 Å²	59	62.3 Å²	62.3	36%	0.362	31%	0.31	S	S	.	.	H	α-helix	trans	-62.5	-30	178.9	-53.1	0	0	0	0	111.8	A184 K185 I186 G190 N267	A184-T188 VanDerWaalsContact O-CB 3.31Å; A184-T188 WeakPolarHBondContact O-CB 3.49Å; A184-T188 PolarHBondContact O-N 3.29Å; A184-T188 PolarHBondContact O-OG1 2.85Å; K185-T188 PolarHBondContact O-N 3.43Å; I186-T188 PolarHBondContact O-N 2.76Å; T188-G190 PolarHBondContact O-N 3.34Å; T188-N267 PolarHBondContact O-ND2 2.9Å
189	T	80.3	Confident	83.5	Confident	48 Å²	48	51.6 Å²	51.6	29%	0.294	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-1.2	174	51.5	0	0	0	0	114.5	K185 I186 I187 R273	K185-T189 WeakPolarHBondContact O-CG2 3.47Å; K185-T189 PolarHBondContact O-N 2.55Å; K185-T189 PolarHBondContact O-OG1 2.68Å; I186-T189 WeakPolarHBondContact CA-OG1 3.46Å; I186-T189 PolarHBondContact O-N 3.5Å; I186-T189 PolarHBondContact O-OG1 3.03Å; I187-T189 PolarHBondContact O-N 3.43Å; T189-R273 WeakPolarHBondContact O-CD 3.42Å; T189-R273 PolarHBondContact O-NH1 2.95Å
190	G	77.1	Confident	84	Confident	3 Å²	3	48.8 Å²	48.8	3%	0.031	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.9	11.5	-179.7	0	0	0	0	0	114.7	I186 I187 T188 R274 N277	I186-G190 PolarHBondContact O-N 3.13Å; I187-G190 PolarHBondContact O-N 3.41Å; T188-G190 PolarHBondContact O-N 3.34Å; G190-R274 WeakPolarHBondContact O-CG 3.25Å; G190-N277 PolarHBondContact O-ND2 3.46Å
191	E	84.1	Confident	84.3	Confident	95 Å²	95	48.8 Å²	48.8	44%	0.444	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-86.4	165.5	176.4	-72.8	-176.6	-162.5	0	0	111.9	I186	I186-E191 HydrophobicContact CG2-CB 3.59Å; I186-E191 PolarHBondContact O-N 3.47Å; I186-E191 VanDerWaalsContact O-N 3.13Å
192	L	84.1	Confident	84.9	Confident	40 Å²	40	45.2 Å²	45.2	21%	0.209	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-77.5	138.9	178.1	-59.4	-174.3	0	0	0	109.9	I186 R222	I186-L192 VanDerWaalsContact CG2-O 3.29Å; I186-L192 WeakPolarHBondContact CG2-O 3.39Å; L192-R222 HydrophobicContact CD1-CB 4.01Å; L192-R222 HydrophobicContact CD2-CB 4.07Å; L192-R222 HydrophobicContact CD2-CG 4.37Å
193	A	85.8	Confident	85.3	Confident	10 Å²	10	41.7 Å²	41.7	8%	0.083	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-64.3	148.6	170.7	0	0	0	0	0	109.8	L167 I183 I187 Q195	L167-A193 HydrophobicContact CD1-CB 3.64Å; I183-A193 HydrophobicContact CG2-CB 4.43Å; I187-A193 HydrophobicContact CD1-CB 4.08Å; I187-A193 HydrophobicContact CG1-CB 4.22Å; A193-Q195 PolarHBondContact O-N 3.41Å
194	P	85.4	Confident	85.6	Confident	55 Å²	55	43.9 Å²	43.9	36%	0.357	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-52.7	138.2	177	-27	34.9	0	0	0	112.1	E196 T197 T198	P194-E196 PolarHBondContact O-N 3.3Å; P194-T197 PolarHBondContact O-N 3.39Å; P194-T198 PolarHBondContact O-N 3.04Å; P194-T198 PolarHBondContact O-OG1 3.4Å
195	Q	86.6	Confident	86	Confident	62 Å²	62	45.7 Å²	45.7	29%	0.29	23%	0.231	S	C	.	.	H	α-helix	trans	-56.3	-53.6	-176.3	174.1	179.3	-18.6	0	0	112.2	A193 T197 T198 I199 A225 Q226 S229	A193-Q195 PolarHBondContact O-N 3.41Å; Q195-T197 VanDerWaalsContact C-N 3.31Å; Q195-T197 PolarHBondContact O-N 3.31Å; Q195-T198 WeakPolarHBondContact O-CB 3.23Å; Q195-T198 PolarHBondContact O-N 2.98Å; Q195-T198 VanDerWaalsContact O-N 3.08Å; Q195-I199 WeakPolarHBondContact O-CG1 3.33Å; Q195-I199 PolarHBondContact O-N 3.02Å; Q195-A225 PolarHBondContact NE2-O 3.17Å; Q195-A225 VanDerWaalsContact OE1-CB 3.22Å; Q195-Q226 HydrophobicContact CB-CG 4.34Å; Q195-Q226 HydrophobicContact CG-CG 4.14Å; Q195-S229 PolarHBondContact NE2-OG 3.25Å
196	E	83.1	Confident	86.4	Confident	154 Å²	154	38.5 Å²	38.5	72%	0.72	20%	0.2	S	C	*	.	H	α-helix	trans	-55	-47.2	-179.3	-66	-179.5	169.4	0	0	111.7	P194 T198 I199 T200	P194-E196 PolarHBondContact O-N 3.3Å; E196-T198 VanDerWaalsContact C-N 3.32Å; E196-T198 PolarHBondContact O-N 3.49Å; E196-I199 PolarHBondContact O-N 3.2Å; E196-T200 PolarHBondContact O-N 2.84Å; E196-T200 PolarHBondContact O-OG1 2.98Å
197	T	87.3	Confident	86.6	Confident	10 Å²	10	39.9 Å²	39.9	6%	0.061	21%	0.207	C	C	.	.	H	α-helix	trans	-66	-37.9	-179.7	-57	0	0	0	0	111.8	K179 W180 I183 P194 Q195 T200 E201	K179-T197 WeakPolarHBondContact CE-OG1 3.43Å; W180-T197 HydrophobicContact CH2-CG2 3.52Å; W180-T197 HydrophobicContact CZ2-CG2 4.06Å; W180-T197 HydrophobicContact CZ3-CG2 4.08Å; I183-T197 HydrophobicContact CD1-CG2 3.71Å; P194-T197 PolarHBondContact O-N 3.39Å; Q195-T197 VanDerWaalsContact C-N 3.31Å; Q195-T197 PolarHBondContact O-N 3.31Å; T197-T200 PolarHBondContact O-N 2.78Å; T197-E201 WeakPolarHBondContact O-CG 3.4Å; T197-E201 PolarHBondContact O-N 3.29Å; T197-E201 VanDerWaalsContact O-N 3.08Å
198	T	90.9	Very high	86.8	Confident	4 Å²	4	45.1 Å²	45.1	3%	0.025	23%	0.231	C	C	.	.	H	α-helix	trans	-64.5	-44.8	178	-54.2	0	0	0	0	111.2	V163 L167 P194 Q195 E196 E201 I202 F220	V163-T198 HydrophobicContact CG1-CG2 3.53Å; L167-T198 HydrophobicContact CD1-CG2 4.47Å; P194-T198 PolarHBondContact O-N 3.04Å; P194-T198 PolarHBondContact O-OG1 3.4Å; Q195-T198 WeakPolarHBondContact O-CB 3.23Å; Q195-T198 PolarHBondContact O-N 2.98Å; Q195-T198 VanDerWaalsContact O-N 3.08Å; E196-T198 VanDerWaalsContact C-N 3.32Å; E196-T198 PolarHBondContact O-N 3.49Å; T198-E201 PolarHBondContact O-N 3.06Å; T198-I202 HydrophobicContact CG2-CD1 4.07Å; T198-I202 VanDerWaalsContact O-CG1 3.26Å; T198-I202 WeakPolarHBondContact O-CG1 3.23Å; T198-I202 PolarHBondContact O-N 3.3Å; T198-I202 VanDerWaalsContact O-N 3.08Å; T198-F220 HydrophobicContact CG2-CD2 3.73Å; T198-F220 HydrophobicContact CG2-CE2 3.82Å
199	I	90.9	Very high	87.1	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-64.9	-44.8	177.6	-63.4	-67.1	0	0	0	111.1	Q195 E196 E201 I202 K203 F220 F230 Q233 I234	Q195-I199 WeakPolarHBondContact O-CG1 3.33Å; Q195-I199 PolarHBondContact O-N 3.02Å; E196-I199 PolarHBondContact O-N 3.2Å; I199-E201 VanDerWaalsContact C-N 3.32Å; I199-E201 PolarHBondContact O-N 3.13Å; I199-I202 PolarHBondContact O-N 3.09Å; I199-K203 WeakPolarHBondContact O-CB 3.19Å; I199-K203 PolarHBondContact O-N 2.9Å; I199-F220 HydrophobicContact CD1-CE1 4.47Å; I199-F220 HydrophobicContact CD1-CE2 4.09Å; I199-F220 HydrophobicContact CD1-CZ 3.52Å; I199-F230 HydrophobicContact CD1-CB 3.96Å; I199-Q233 HydrophobicContact CG2-CB 4.15Å; I199-Q233 VanDerWaalsContact CG2-OE1 3.27Å; I199-I234 HydrophobicContact CG2-CD1 4.28Å
200	T	89.4	Confident	86.8	Confident	50 Å²	50	44.7 Å²	44.7	31%	0.307	23%	0.228	S	C	.	.	H	α-helix	trans	-57.9	-45	177.8	-55.7	0	0	0	0	111.6	E196 T197 K203 Q204	E196-T200 PolarHBondContact O-N 2.84Å; E196-T200 PolarHBondContact O-OG1 2.98Å; T197-T200 PolarHBondContact O-N 2.78Å; T200-K203 PolarHBondContact O-N 2.71Å; T200-Q204 HydrophobicContact CG2-CG 4.48Å; T200-Q204 WeakPolarHBondContact O-CB 3.46Å; T200-Q204 WeakPolarHBondContact O-CG 3.31Å; T200-Q204 PolarHBondContact O-N 3.46Å
201	E	90.2	Very high	87	Confident	15 Å²	15	50 Å²	50	7%	0.07	26%	0.256	C	S	.	.	H	α-helix	trans	-67.2	-40	179.2	-68.6	-61	139.3	0	0	112.1	L166 L167 K170 W180 T197 T198 I199 Q204 K205	L166-E201 HydrophobicContact CD2-CB 3.84Å; L166-E201 HydrophobicContact CG-CB 4.21Å; L167-E201 HydrophobicContact CD2-CB 4.41Å; L167-E201 HydrophobicContact CD2-CG 4.09Å; K170-E201 IonicContact NZ-OE1 4Å; K170-E201 PolarHBondContact NZ-OE1 3.41Å; K170-E201 IonicContact NZ-OE2 2.71Å; K170-E201 PolarHBondContact NZ-OE2 2.89Å; W180-E201 HydrophobicContact CH2-CG 3.74Å; W180-E201 WeakPolarHBondContact CH2-OE1 3.39Å; W180-E201 HydrophobicContact CZ2-CG 4.34Å; W180-E201 VanDerWaalsContact CZ2-OE1 3.23Å; W180-E201 WeakPolarHBondContact CZ2-OE1 3.34Å; T197-E201 WeakPolarHBondContact O-CG 3.4Å; T197-E201 PolarHBondContact O-N 3.29Å; T197-E201 VanDerWaalsContact O-N 3.08Å; T198-E201 PolarHBondContact O-N 3.06Å; I199-E201 VanDerWaalsContact C-N 3.32Å; I199-E201 PolarHBondContact O-N 3.13Å; E201-Q204 PolarHBondContact O-N 3.22Å; E201-K205 WeakPolarHBondContact O-CB 3.49Å; E201-K205 PolarHBondContact O-N 2.88Å
202	I	92.3	Very high	87.1	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-61	-48	174.1	-65.7	166	0	0	0	109.6	V163 T198 I199 Q204 K205 L206 I217 F220 F230 I234	V163-I202 HydrophobicContact CG1-CD1 4.22Å; V163-I202 HydrophobicContact CG1-CG1 4.41Å; V163-I202 HydrophobicContact CG2-CD1 3.79Å; V163-I202 HydrophobicContact CG2-CG1 3.95Å; T198-I202 HydrophobicContact CG2-CD1 4.07Å; T198-I202 VanDerWaalsContact O-CG1 3.26Å; T198-I202 WeakPolarHBondContact O-CG1 3.23Å; T198-I202 PolarHBondContact O-N 3.3Å; T198-I202 VanDerWaalsContact O-N 3.08Å; I199-I202 PolarHBondContact O-N 3.09Å; I202-Q204 PolarHBondContact O-N 3.32Å; I202-K205 PolarHBondContact O-N 2.59Å; I202-K205 VanDerWaalsContact O-N 3.1Å; I202-L206 HydrophobicContact CG2-CD1 3.78Å; I202-L206 HydrophobicContact CG2-CG 4.14Å; I202-L206 VanDerWaalsContact O-CG 3.27Å; I202-L206 WeakPolarHBondContact O-CG 3.18Å; I202-L206 PolarHBondContact O-N 2.89Å; I202-I217 HydrophobicContact CG2-CD1 4.3Å; I202-F220 HydrophobicContact CD1-CD1 3.87Å; I202-F220 HydrophobicContact CD1-CD2 3.77Å; I202-F220 HydrophobicContact CD1-CE1 3.97Å; I202-F220 HydrophobicContact CD1-CE2 3.84Å; I202-F220 HydrophobicContact CD1-CG 3.8Å; I202-F220 HydrophobicContact CD1-CZ 3.97Å; I202-F230 HydrophobicContact CG2-CD2 4.48Å; I202-F230 HydrophobicContact CG2-CE2 3.99Å; I202-I234 HydrophobicContact CB-CD1 4.25Å; I202-I234 HydrophobicContact CG2-CD1 3.76Å
203	K	90.3	Very high	87.2	Confident	34 Å²	34	54.6 Å²	54.6	15%	0.148	28%	0.276	C	S	.	.	H	α-helix	trans	-57.4	-49	178	178.4	161.7	176.6	166.6	0	111.9	Y122 V124 I199 T200 K205 L206 M207 I234	Y122-K203 WeakPolarHBondContact O-CE 3.27Å; Y122-K203 PolarHBondContact O-NZ 3.17Å; V124-K203 HydrophobicContact CG2-CD 3.72Å; V124-K203 HydrophobicContact CG2-CG 3.71Å; I199-K203 WeakPolarHBondContact O-CB 3.19Å; I199-K203 PolarHBondContact O-N 2.9Å; T200-K203 PolarHBondContact O-N 2.71Å; K203-K205 VanDerWaalsContact C-N 3.28Å; K203-K205 PolarHBondContact O-N 2.79Å; K203-L206 PolarHBondContact O-N 3.46Å; K203-M207 HydrophobicContact CD-CE 4.06Å; K203-M207 HydrophobicContact CG-CE 3.63Å; K203-M207 HydrophobicContact CG-SD 4.19Å; K203-M207 WeakPolarHBondContact O-CG 3.41Å; K203-M207 PolarHBondContact O-N 3.49Å; K203-I234 HydrophobicContact CB-CD1 4.46Å
204	Q	88.6	Confident	87.6	Confident	51 Å²	51	54.1 Å²	54.1	24%	0.238	27%	0.272	C	S	.	.	H	α-helix	trans	-58.5	-40.3	175	-75.6	-175.4	-7.7	0	0	111.9	K170 T200 E201 I202 Q208	K170-Q204 VanDerWaalsContact NZ-OE1 3.1Å; T200-Q204 HydrophobicContact CG2-CG 4.48Å; T200-Q204 WeakPolarHBondContact O-CB 3.46Å; T200-Q204 WeakPolarHBondContact O-CG 3.31Å; T200-Q204 PolarHBondContact O-N 3.46Å; E201-Q204 PolarHBondContact O-N 3.22Å; I202-Q204 PolarHBondContact O-N 3.32Å; Q204-Q208 WeakPolarHBondContact O-CG 3.49Å
205	K	91.2	Very high	88.1	Confident	60 Å²	60	51.5 Å²	51.5	26%	0.261	26%	0.255	S	S	.	.	H	α-helix	trans	-68.7	-41.4	178.8	-175.9	56.6	-177.7	160.3	0	112	I161 L166 E201 I202 K203 Q208 I209	I161-K205 HydrophobicContact CD1-CG 4.07Å; I161-K205 HydrophobicContact CG1-CG 4.47Å; I161-K205 HydrophobicContact CG2-CG 4.42Å; L166-K205 HydrophobicContact CD1-CB 4.25Å; L166-K205 HydrophobicContact CD1-CD 4.5Å; L166-K205 HydrophobicContact CD1-CG 4.38Å; L166-K205 HydrophobicContact CD2-CB 4.12Å; E201-K205 WeakPolarHBondContact O-CB 3.49Å; E201-K205 PolarHBondContact O-N 2.88Å; I202-K205 PolarHBondContact O-N 2.59Å; I202-K205 VanDerWaalsContact O-N 3.1Å; K203-K205 VanDerWaalsContact C-N 3.28Å; K203-K205 PolarHBondContact O-N 2.79Å; K205-Q208 WeakPolarHBondContact O-CB 3.35Å; K205-Q208 PolarHBondContact O-N 3.05Å; K205-I209 WeakPolarHBondContact O-CG1 3.47Å
206	L	90.4	Very high	88.6	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-64.5	-40.1	178.2	-67.9	174.1	0	0	0	112	V124 F125 I161 I202 K203 Q208 I209 I215 I234	V124-L206 HydrophobicContact CG1-CB 3.63Å; V124-L206 HydrophobicContact CG1-CD1 3.95Å; V124-L206 HydrophobicContact CG1-CG 4.46Å; F125-L206 HydrophobicContact CZ-CD1 4.17Å; I161-L206 HydrophobicContact CD1-CD2 3.81Å; I202-L206 HydrophobicContact CG2-CD1 3.78Å; I202-L206 HydrophobicContact CG2-CG 4.14Å; I202-L206 VanDerWaalsContact O-CG 3.27Å; I202-L206 WeakPolarHBondContact O-CG 3.18Å; I202-L206 PolarHBondContact O-N 2.89Å; K203-L206 PolarHBondContact O-N 3.46Å; L206-Q208 PolarHBondContact O-N 3Å; L206-Q208 VanDerWaalsContact O-N 3.17Å; L206-I209 HydrophobicContact CD2-CD1 4.38Å; L206-I209 CarbonylContact O-C 3.48Å; L206-I209 VanDerWaalsContact O-CG1 3.31Å; L206-I209 WeakPolarHBondContact O-CG1 3.48Å; L206-I209 PolarHBondContact O-N 2.79Å; L206-I215 HydrophobicContact CD2-CD1 3.41Å; L206-I215 VanDerWaalsContact CD2-CD1 3.41Å; L206-I215 HydrophobicContact CD2-CG2 4.06Å; L206-I234 HydrophobicContact CD1-CD1 4.13Å; L206-I234 HydrophobicContact CD1-CG1 4.46Å; L206-I234 HydrophobicContact CD1-CG2 3.5Å; L206-I234 VanDerWaalsContact CD1-CG2 3.5Å
207	M	86.8	Confident	89.3	Confident	65 Å²	65	41.2 Å²	41.2	32%	0.32	21%	0.207	S	C	.	.	H	α-helix	trans	-61.8	-22.9	175.6	-72.4	170.9	173.3	0	0	113.8	Y122 V124 K203 I209	Y122-M207 VanDerWaalsContact CB-CE 3.41Å; Y122-M207 HydrophobicContact CG-CE 4.35Å; V124-M207 HydrophobicContact CG2-CE 4.36Å; K203-M207 HydrophobicContact CD-CE 4.06Å; K203-M207 HydrophobicContact CG-CE 3.63Å; K203-M207 HydrophobicContact CG-SD 4.19Å; K203-M207 WeakPolarHBondContact O-CG 3.41Å; K203-M207 PolarHBondContact O-N 3.49Å; M207-I209 VanDerWaalsContact C-N 3.31Å
208	Q	87.3	Confident	89.6	Confident	133 Å²	133	41.4 Å²	41.4	62%	0.621	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-9.5	176.4	-66.5	168.3	14.3	0	0	113.2	Q204 K205 L206 P210	Q204-Q208 WeakPolarHBondContact O-CG 3.49Å; K205-Q208 WeakPolarHBondContact O-CB 3.35Å; K205-Q208 PolarHBondContact O-N 3.05Å; L206-Q208 PolarHBondContact O-N 3Å; L206-Q208 VanDerWaalsContact O-N 3.17Å; Q208-P210 VanDerWaalsContact C-CD 3.44Å
209	I	86.4	Confident	89.3	Confident	21 Å²	21	41.7 Å²	41.7	11%	0.108	21%	0.211	C	C	.	.			trans	-131.8	54.8	-176.8	56.2	169.1	0	0	0	111.6	Q159 I161 K205 L206 M207 D211 E212 I215	Q159-I209 HydrophobicContact CB-CD1 4.18Å; Q159-I209 HydrophobicContact CG-CD1 3.57Å; I161-I209 HydrophobicContact CD1-CD1 3.91Å; K205-I209 WeakPolarHBondContact O-CG1 3.47Å; L206-I209 HydrophobicContact CD2-CD1 4.38Å; L206-I209 CarbonylContact O-C 3.48Å; L206-I209 VanDerWaalsContact O-CG1 3.31Å; L206-I209 WeakPolarHBondContact O-CG1 3.48Å; L206-I209 PolarHBondContact O-N 2.79Å; M207-I209 VanDerWaalsContact C-N 3.31Å; I209-D211 VanDerWaalsContact C-N 3.26Å; I209-D211 PolarHBondContact O-N 2.76Å; I209-E212 HydrophobicContact CB-CG 3.88Å; I209-E212 HydrophobicContact CD1-CG 4.46Å; I209-I215 HydrophobicContact CD1-CD1 3.98Å; I209-I215 HydrophobicContact CD1-CG1 4.46Å
210	P	74.9	Confident	89.4	Confident	76 Å²	76	41.7 Å²	41.7	49%	0.494	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-18.1	-170.8	30.4	-37	0	0	0	114.5	Q208	Q208-P210 VanDerWaalsContact C-CD 3.44Å
211	D	80.8	Confident	89.7	Confident	115 Å²	115	39.5 Å²	39.5	62%	0.615	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.9	9	-170	-64.1	-40	0	0	0	114.1	R129 I209	R129-D211 IonicContact CZ-OD1 2.66Å; R129-D211 IonicContact NH1-OD1 3.6Å; R129-D211 PolarHBondContact NH1-OD1 3.29Å; I209-D211 VanDerWaalsContact C-N 3.26Å; I209-D211 PolarHBondContact O-N 2.76Å
212	E	86.6	Confident	89.8	Confident	68 Å²	68	42.6 Å²	42.6	32%	0.318	21%	0.209	S	C	.	.			trans	-75.2	142.7	-178.9	-64.6	-63.8	155.9	0	0	111.9	P132 Q159 I209 I215	P132-E212 WeakPolarHBondContact CB-O 3.49Å; Q159-E212 HydrophobicContact CB-CB 4.48Å; Q159-E212 HydrophobicContact CB-CG 3.91Å; I209-E212 HydrophobicContact CB-CG 3.88Å; I209-E212 HydrophobicContact CD1-CG 4.46Å; E212-I215 HydrophobicContact CB-CG1 4.38Å
213	E	86.9	Confident	89.8	Confident	164 Å²	164	44.1 Å²	44.1	77%	0.766	22%	0.217	S	C	*	.	S	Bend	trans	-77.1	-25.6	176.9	-65.1	-169.2	166.3	0	0	112.4	P132 K133	P132-E213 WeakPolarHBondContact CA-O 3.5Å; K133-E213 PolarHBondContact N-O 3.37Å
214	G	93.3	Very high	89.9	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	159.7	175.8	0	0	0	0	0	113.7	K133 F158 Q159	K133-G214 CarbonylContact O-C 3.46Å; K133-G214 WeakPolarHBondContact O-CA 3.47Å; F158-G214 CarbonylContact C-O 3.52Å; F158-G214 VanDerWaalsContact CA-O 3.29Å; F158-G214 WeakPolarHBondContact CA-O 3.04Å; F158-G214 WeakPolarHBondContact CB-O 3.44Å; F158-G214 VanDerWaalsContact CD1-CA 3.46Å; F158-G214 VanDerWaalsContact CG-C 3.48Å; Q159-G214 PolarHBondContact N-O 3.37Å
215	I	96.2	Very high	89.8	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	129.4	-170.3	-56.2	179	0	0	0	108.8	F125 P132 K133 I134 I135 Q159 I161 L206 I209 E212 I217	F125-I215 HydrophobicContact CE1-CD1 4.5Å; P132-I215 HydrophobicContact CB-CD1 4.06Å; P132-I215 HydrophobicContact CB-CG1 4.04Å; P132-I215 HydrophobicContact CG-CD1 3.83Å; P132-I215 HydrophobicContact CG-CG1 4.37Å; K133-I215 PolarHBondContact O-N 2.96Å; I134-I215 WeakPolarHBondContact CA-O 3.37Å; I135-I215 PolarHBondContact N-O 3.09Å; Q159-I215 WeakPolarHBondContact O-CA 3.37Å; I161-I215 HydrophobicContact CD1-CG2 3.61Å; I161-I215 HydrophobicContact CG1-CG2 4.14Å; L206-I215 HydrophobicContact CD2-CD1 3.41Å; L206-I215 VanDerWaalsContact CD2-CD1 3.41Å; L206-I215 HydrophobicContact CD2-CG2 4.06Å; I209-I215 HydrophobicContact CD1-CD1 3.98Å; I209-I215 HydrophobicContact CD1-CG1 4.46Å; E212-I215 HydrophobicContact CB-CG1 4.38Å; I215-I217 HydrophobicContact CG2-CD1 4.43Å; I215-I217 HydrophobicContact CG2-CG1 3.9Å
216	V	97.3	Very high	89.9	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	117.5	174.3	-173.6	0	0	0	0	109	I135 V137 I152 A153 F158 Q159 I161	I135-V216 HydrophobicContact CB-CG2 4.44Å; I135-V216 WeakPolarHBondContact O-CA 3.46Å; V137-V216 HydrophobicContact CG2-CG1 3.76Å; I152-V216 HydrophobicContact CB-CG2 4.3Å; I152-V216 HydrophobicContact CG2-CG2 3.69Å; A153-V216 HydrophobicContact CB-CG2 4.39Å; F158-V216 HydrophobicContact CB-CG2 3.9Å; F158-V216 HydrophobicContact CD2-CG2 3.91Å; F158-V216 HydrophobicContact CG-CG2 4.44Å; Q159-V216 PolarHBondContact O-N 2.92Å; I161-V216 PolarHBondContact N-O 2.96Å
217	I	97	Very high	90.1	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	116.8	-179.1	-52.2	-178	0	0	0	109.6	I134 I135 L136 V137 I161 V163 I202 I215 F220 F230	I134-I217 HydrophobicContact CG2-CD1 4.24Å; I135-I217 PolarHBondContact O-N 2.86Å; L136-I217 HydrophobicContact CD2-CB 3.75Å; L136-I217 HydrophobicContact CD2-CD1 3.91Å; L136-I217 HydrophobicContact CD2-CG1 4.13Å; L136-I217 HydrophobicContact CD2-CG2 4.41Å; V137-I217 PolarHBondContact N-O 2.86Å; I161-I217 WeakPolarHBondContact O-CA 3.29Å; V163-I217 HydrophobicContact CG2-CG2 3.51Å; I202-I217 HydrophobicContact CG2-CD1 4.3Å; I215-I217 HydrophobicContact CG2-CD1 4.43Å; I215-I217 HydrophobicContact CG2-CG1 3.9Å; I217-F220 HydrophobicContact CG2-CB 4.19Å; I217-F220 HydrophobicContact CG2-CD1 4.41Å; I217-F230 HydrophobicContact CD1-CE2 3.79Å; I217-F230 HydrophobicContact CD1-CZ 3.84Å
218	D	93.6	Very high	90.2	Very high	14 Å²	14	42.4 Å²	42.4	8%	0.075	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	136.5	-179.9	168.1	30	0	0	0	112.5	K145 G146 Y160 I161 V163 F220	K145-D218 WeakPolarHBondContact CB-OD1 3.03Å; G146-D218 VanDerWaalsContact CA-OD2 3.28Å; G146-D218 WeakPolarHBondContact CA-OD2 3.45Å; Y160-D218 HydrophobicContact CE2-CB 3.67Å; Y160-D218 PolarHBondContact OH-OD2 2.89Å; I161-D218 PolarHBondContact O-N 3.32Å; V163-D218 PolarHBondContact N-O 3.45Å; D218-F220 VanDerWaalsContact C-N 3.33Å
219	G	85.3	Confident	90.3	Very high	9 Å²	9	37.1 Å²	37.1	9%	0.093	20%	0.2	C	C	.	.	S	Bend	trans	79.6	22.1	165.1	0	0	0	0	0	113.2	V137 R222	V137-G219 PolarHBondContact O-N 2.94Å; V137-G219 VanDerWaalsContact O-N 3.17Å; G219-R222 WeakPolarHBondContact O-CG 3.39Å; G219-R222 PolarHBondContact O-NE 2.95Å
220	F	93.6	Very high	90.6	Very high	1 Å²	1	36.2 Å²	36.2	0%	0.004	20%	0.195	C	C	.	.			trans	-152.7	147.2	179.8	177.8	-85.5	0	0	0	109	V163 T198 I199 I202 I217 D218 Q226 F230	V163-F220 HydrophobicContact CB-CB 3.99Å; V163-F220 HydrophobicContact CG1-CB 4.28Å; V163-F220 HydrophobicContact CG1-CD2 4.41Å; V163-F220 HydrophobicContact CG2-CB 3.5Å; V163-F220 VanDerWaalsContact CG2-CB 3.5Å; V163-F220 HydrophobicContact CG2-CG 4.1Å; T198-F220 HydrophobicContact CG2-CD2 3.73Å; T198-F220 HydrophobicContact CG2-CE2 3.82Å; I199-F220 HydrophobicContact CD1-CE1 4.47Å; I199-F220 HydrophobicContact CD1-CE2 4.09Å; I199-F220 HydrophobicContact CD1-CZ 3.52Å; I202-F220 HydrophobicContact CD1-CD1 3.87Å; I202-F220 HydrophobicContact CD1-CD2 3.77Å; I202-F220 HydrophobicContact CD1-CE1 3.97Å; I202-F220 HydrophobicContact CD1-CE2 3.84Å; I202-F220 HydrophobicContact CD1-CG 3.8Å; I202-F220 HydrophobicContact CD1-CZ 3.97Å; I217-F220 HydrophobicContact CG2-CB 4.19Å; I217-F220 HydrophobicContact CG2-CD1 4.41Å; D218-F220 VanDerWaalsContact C-N 3.33Å; F220-Q226 HydrophobicContact CE2-CB 3.72Å; F220-Q226 HydrophobicContact CE2-CG 4.06Å; F220-Q226 HydrophobicContact CZ-CB 3.95Å; F220-F230 HydrophobicContact CD1-CD2 4.38Å; F220-F230 HydrophobicContact CE1-CB 3.72Å; F220-F230 AromaticContact CE1-CD2 3.53Å; F220-F230 HydrophobicContact CE1-CD2 3.53Å; F220-F230 HydrophobicContact CE1-CE2 4.39Å; F220-F230 AromaticContact CE1-CG 3.76Å; F220-F230 HydrophobicContact CE1-CG 3.76Å; F220-F230 HydrophobicContact CZ-CB 3.92Å; F220-F230 HydrophobicContact CZ-CD2 4.18Å; F220-F230 HydrophobicContact CZ-CG 4.39Å
221	P	95.1	Very high	91.4	Very high	4 Å²	4	34 Å²	34	3%	0.026	18%	0.178	C	C	.	.			cis	-70.1	161.5	-11.7	28.7	-36.5	0	0	0	111.8	I138 Q226 A227 L285 F289	I138-P221 HydrophobicContact CG2-CG 4.45Å; I138-P221 WeakPolarHBondContact CG2-O 3.41Å; P221-Q226 HydrophobicContact CB-CB 3.78Å; P221-A227 HydrophobicContact CB-CB 4.03Å; P221-A227 HydrophobicContact CG-CB 3.82Å; P221-L285 HydrophobicContact CB-CD1 4.48Å; P221-L285 HydrophobicContact CG-CD1 4.05Å; P221-L285 HydrophobicContact CG-CD2 4.27Å; P221-L285 WeakPolarHBondContact O-CD2 3.34Å; P221-F289 HydrophobicContact CG-CE2 3.72Å; P221-F289 HydrophobicContact CG-CZ 3.89Å
222	R	91.3	Very high	91.7	Very high	80 Å²	80	33.4 Å²	33.4	30%	0.302	18%	0.175	S	C	.	.			trans	-113.6	-10.5	178.9	-63.5	-176.1	-179.9	-171.2	10.9	113.9	L192 G219 N281	L192-R222 HydrophobicContact CD1-CB 4.01Å; L192-R222 HydrophobicContact CD2-CB 4.07Å; L192-R222 HydrophobicContact CD2-CG 4.37Å; G219-R222 WeakPolarHBondContact O-CG 3.39Å; G219-R222 PolarHBondContact O-NE 2.95Å; R222-N281 WeakPolarHBondContact O-CB 3.44Å
223	D	92.3	Very high	91.7	Very high	32 Å²	32	34 Å²	34	17%	0.171	18%	0.178	C	C	.	.	S	Bend	trans	-148.7	172	172.2	59.2	50.1	0	0	0	109.4	A225 Q226 A227 N281 L285	D223-A225 VanDerWaalsContact C-N 3.32Å; D223-A225 PolarHBondContact O-N 3.06Å; D223-A225 PolarHBondContact OD1-N 3.25Å; D223-A225 VanDerWaalsContact OD1-N 3.08Å; D223-Q226 WeakPolarHBondContact OD1-CB 3.45Å; D223-Q226 WeakPolarHBondContact OD1-CG 3.33Å; D223-Q226 PolarHBondContact OD1-N 2.99Å; D223-A227 PolarHBondContact O-N 2.82Å; D223-N281 HydrophobicContact CB-CB 4.1Å; D223-L285 WeakPolarHBondContact O-CD1 3.29Å
224	V	92.1	Very high	91.8	Very high	41 Å²	41	27.1 Å²	27.1	25%	0.248	15%	0.146	C	C	.	.	H	α-helix	trans	-67.1	-33.7	-177.8	179.5	0	0	0	0	111.7	A227 L228 P284 L285 Y288	V224-A227 WeakPolarHBondContact O-CB 3.14Å; V224-A227 PolarHBondContact O-N 3.16Å; V224-L228 HydrophobicContact CG1-CD1 4.02Å; V224-L228 HydrophobicContact CG1-CG 4.31Å; V224-L228 WeakPolarHBondContact O-CG 3.28Å; V224-L228 PolarHBondContact O-N 3.14Å; V224-P284 HydrophobicContact CG2-CB 3.84Å; V224-L285 HydrophobicContact CG2-CB 4.39Å; V224-Y288 HydrophobicContact CG1-CD2 4.03Å; V224-Y288 HydrophobicContact CG1-CG 4.19Å
225	A	88.1	Confident	91.6	Very high	42 Å²	42	28 Å²	28	35%	0.347	15%	0.152	S	C	.	.	H	α-helix	trans	-66.5	-42.1	-178	0	0	0	0	0	111.2	Q195 D223 A227 L228 S229	Q195-A225 PolarHBondContact NE2-O 3.17Å; Q195-A225 VanDerWaalsContact OE1-CB 3.22Å; D223-A225 VanDerWaalsContact C-N 3.32Å; D223-A225 PolarHBondContact O-N 3.06Å; D223-A225 PolarHBondContact OD1-N 3.25Å; D223-A225 VanDerWaalsContact OD1-N 3.08Å; A225-A227 VanDerWaalsContact C-N 3.34Å; A225-A227 PolarHBondContact O-N 3.12Å; A225-L228 PolarHBondContact O-N 3.35Å; A225-S229 PolarHBondContact O-N 3.3Å
226	Q	93.3	Very high	91.4	Very high	5 Å²	5	31.3 Å²	31.3	2%	0.023	17%	0.172	C	C	.	.	H	α-helix	trans	-60	-42	171.6	-73.8	-178.6	-2.1	0	0	112.4	Q195 F220 P221 D223 F230	Q195-Q226 HydrophobicContact CB-CG 4.34Å; Q195-Q226 HydrophobicContact CG-CG 4.14Å; F220-Q226 HydrophobicContact CE2-CB 3.72Å; F220-Q226 HydrophobicContact CE2-CG 4.06Å; F220-Q226 HydrophobicContact CZ-CB 3.95Å; P221-Q226 HydrophobicContact CB-CB 3.78Å; D223-Q226 WeakPolarHBondContact OD1-CB 3.45Å; D223-Q226 WeakPolarHBondContact OD1-CG 3.33Å; D223-Q226 PolarHBondContact OD1-N 2.99Å; Q226-F230 WeakPolarHBondContact O-CB 3.43Å; Q226-F230 PolarHBondContact O-N 2.75Å
227	A	93.4	Very high	91.3	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.008	17%	0.173	C	C	.	.	H	α-helix	trans	-61.4	-48.6	176.3	0	0	0	0	0	111.2	P221 D223 V224 A225 S229 F230 E231 L285 Y288 F289	P221-A227 HydrophobicContact CB-CB 4.03Å; P221-A227 HydrophobicContact CG-CB 3.82Å; D223-A227 PolarHBondContact O-N 2.82Å; V224-A227 WeakPolarHBondContact O-CB 3.14Å; V224-A227 PolarHBondContact O-N 3.16Å; A225-A227 VanDerWaalsContact C-N 3.34Å; A225-A227 PolarHBondContact O-N 3.12Å; A227-S229 PolarHBondContact O-N 3.29Å; A227-F230 PolarHBondContact O-N 2.99Å; A227-E231 WeakPolarHBondContact O-CG 3.27Å; A227-E231 PolarHBondContact O-N 3.03Å; A227-L285 HydrophobicContact CB-CD1 3.86Å; A227-Y288 HydrophobicContact CB-CD1 4.15Å; A227-Y288 HydrophobicContact CB-CE1 3.8Å; A227-F289 HydrophobicContact CB-CE1 4.48Å; A227-F289 HydrophobicContact CB-CE2 4.06Å; A227-F289 HydrophobicContact CB-CZ 3.67Å
228	L	89.5	Confident	91.3	Very high	85 Å²	85	32.5 Å²	32.5	45%	0.445	18%	0.179	S	C	.	.	H	α-helix	trans	-59.7	-45.8	178.1	-72.6	168.7	0	0	0	112.1	V224 A225 F230 E231 D232 Y288	V224-L228 HydrophobicContact CG1-CD1 4.02Å; V224-L228 HydrophobicContact CG1-CG 4.31Å; V224-L228 WeakPolarHBondContact O-CG 3.28Å; V224-L228 PolarHBondContact O-N 3.14Å; A225-L228 PolarHBondContact O-N 3.35Å; L228-F230 VanDerWaalsContact C-N 3.33Å; L228-F230 PolarHBondContact O-N 2.85Å; L228-E231 PolarHBondContact O-N 3.07Å; L228-D232 VanDerWaalsContact O-CB 3.31Å; L228-D232 WeakPolarHBondContact O-CB 3.32Å; L228-D232 PolarHBondContact O-N 2.99Å; L228-Y288 HydrophobicContact CD2-CE2 3.8Å; L228-Y288 WeakPolarHBondContact CD2-OH 3.34Å; L228-Y288 HydrophobicContact CG-CE2 4.33Å
229	S	89.5	Confident	91.4	Very high	22 Å²	22	31.9 Å²	31.9	15%	0.154	18%	0.175	C	C	.	.	H	α-helix	trans	-68.1	-31.9	177.8	-78.2	0	0	0	0	113.8	Q195 A225 A227 Q233	Q195-S229 PolarHBondContact NE2-OG 3.25Å; A225-S229 PolarHBondContact O-N 3.3Å; A227-S229 PolarHBondContact O-N 3.29Å; S229-Q233 VanDerWaalsContact O-CB 3.3Å; S229-Q233 WeakPolarHBondContact O-CB 3.39Å; S229-Q233 WeakPolarHBondContact O-CG 3.26Å; S229-Q233 PolarHBondContact O-N 3Å
230	F	93.6	Very high	92	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.009	17%	0.171	C	C	.	.	H	α-helix	trans	-65	-45.3	173.4	-177.1	-90.4	0	0	0	110.9	I134 L136 I199 I202 I217 F220 Q226 A227 L228 D232 I234 C235	I134-F230 HydrophobicContact CD1-CZ 4.19Å; I134-F230 HydrophobicContact CG2-CE1 4.41Å; I134-F230 HydrophobicContact CG2-CZ 4.15Å; L136-F230 HydrophobicContact CD1-CD1 4.48Å; L136-F230 HydrophobicContact CD1-CE1 4.45Å; L136-F230 HydrophobicContact CD2-CE1 4.34Å; L136-F230 HydrophobicContact CD2-CZ 4.26Å; I199-F230 HydrophobicContact CD1-CB 3.96Å; I202-F230 HydrophobicContact CG2-CD2 4.48Å; I202-F230 HydrophobicContact CG2-CE2 3.99Å; I217-F230 HydrophobicContact CD1-CE2 3.79Å; I217-F230 HydrophobicContact CD1-CZ 3.84Å; F220-F230 HydrophobicContact CD1-CD2 4.38Å; F220-F230 HydrophobicContact CE1-CB 3.72Å; F220-F230 AromaticContact CE1-CD2 3.53Å; F220-F230 HydrophobicContact CE1-CD2 3.53Å; F220-F230 HydrophobicContact CE1-CE2 4.39Å; F220-F230 AromaticContact CE1-CG 3.76Å; F220-F230 HydrophobicContact CE1-CG 3.76Å; F220-F230 HydrophobicContact CZ-CB 3.92Å; F220-F230 HydrophobicContact CZ-CD2 4.18Å; F220-F230 HydrophobicContact CZ-CG 4.39Å; Q226-F230 WeakPolarHBondContact O-CB 3.43Å; Q226-F230 PolarHBondContact O-N 2.75Å; A227-F230 PolarHBondContact O-N 2.99Å; L228-F230 VanDerWaalsContact C-N 3.33Å; L228-F230 PolarHBondContact O-N 2.85Å; F230-D232 VanDerWaalsContact C-N 3.32Å; F230-D232 PolarHBondContact O-N 2.99Å; F230-I234 HydrophobicContact CD2-CB 4.22Å; F230-I234 HydrophobicContact CD2-CD1 3.44Å; F230-I234 VanDerWaalsContact CD2-CD1 3.44Å; F230-I234 HydrophobicContact CD2-CG1 4.36Å; F230-I234 HydrophobicContact CE1-CG2 4.43Å; F230-I234 HydrophobicContact CE2-CB 4.09Å; F230-I234 HydrophobicContact CE2-CD1 3.53Å; F230-I234 HydrophobicContact CE2-CG1 4.4Å; F230-I234 HydrophobicContact CE2-CG2 3.9Å; F230-I234 HydrophobicContact CG-CD1 4.37Å; F230-I234 HydrophobicContact CZ-CB 4.3Å; F230-I234 HydrophobicContact CZ-CG2 3.84Å; F230-I234 WeakPolarHBondContact O-CA 3.08Å; F230-I234 VanDerWaalsContact O-CB 3.3Å; F230-I234 WeakPolarHBondContact O-CB 3.39Å; F230-I234 PolarHBondContact O-N 2.97Å; F230-C235 VanDerWaalsContact CD1-O 3.24Å; F230-C235 WeakPolarHBondContact CD1-O 3.47Å; F230-C235 WeakPolarHBondContact CE1-O 3.37Å; F230-C235 PolarHBondContact O-N 3.37Å; F230-C235 VanDerWaalsContact O-N 3.09Å
231	E	91.2	Very high	92.2	Very high	30 Å²	30	31.4 Å²	31.4	14%	0.14	17%	0.171	C	C	.	.	H	α-helix	trans	-64.4	-37.7	177.7	-67.5	-176.2	-159.3	0	0	112.9	A227 L228 C235 T236 Y288 K292	A227-E231 WeakPolarHBondContact O-CG 3.27Å; A227-E231 PolarHBondContact O-N 3.03Å; L228-E231 PolarHBondContact O-N 3.07Å; E231-C235 WeakPolarHBondContact CA-O 3.28Å; E231-T236 HydrophobicContact CB-CG2 4.24Å; E231-T236 HydrophobicContact CG-CG2 4.06Å; E231-Y288 WeakPolarHBondContact OE1-CE1 3.35Å; E231-Y288 PolarHBondContact OE1-OH 3.34Å; E231-Y288 PolarHBondContact OE2-OH 3.26Å; E231-K292 IonicContact OE1-NZ 2.75Å; E231-K292 PolarHBondContact OE1-NZ 3.32Å; E231-K292 IonicContact OE2-NZ 3.54Å; E231-K292 PolarHBondContact OE2-NZ 3.39Å
232	D	87.1	Confident	92.3	Very high	102 Å²	102	32.4 Å²	32.4	55%	0.545	18%	0.175	S	C	.	.	H	α-helix	trans	-74.9	-40.7	-178.3	-169	64.3	0	0	0	113.2	L228 F230 K468	L228-D232 VanDerWaalsContact O-CB 3.31Å; L228-D232 WeakPolarHBondContact O-CB 3.32Å; L228-D232 PolarHBondContact O-N 2.99Å; F230-D232 VanDerWaalsContact C-N 3.32Å; F230-D232 PolarHBondContact O-N 2.99Å; D232-K468 IonicContact OD1-NZ 3.8Å; D232-K468 PolarHBondContact OD1-NZ 2.89Å; D232-K468 IonicContact OD2-NZ 3.07Å
233	Q	86	Confident	92.5	Very high	81 Å²	81	28.6 Å²	28.6	38%	0.379	16%	0.16	S	C	.	.	H	α-helix	trans	-101.9	-17.6	-171.6	-60.2	-177.1	29.9	0	0	114.4	V124 I199 S229	V124-Q233 WeakPolarHBondContact CG2-O 3.35Å; I199-Q233 HydrophobicContact CG2-CB 4.15Å; I199-Q233 VanDerWaalsContact CG2-OE1 3.27Å; S229-Q233 VanDerWaalsContact O-CB 3.3Å; S229-Q233 WeakPolarHBondContact O-CB 3.39Å; S229-Q233 WeakPolarHBondContact O-CG 3.26Å; S229-Q233 PolarHBondContact O-N 3Å
234	I	89.2	Confident	92.5	Very high	19 Å²	19	28.5 Å²	28.5	10%	0.097	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.3	-79.5	-176.9	-61.6	166.6	0	0	0	109.1	V124 F125 I199 I202 K203 L206 F230	V124-I234 HydrophobicContact CG1-CG2 4.26Å; V124-I234 HydrophobicContact CG2-CG1 4.15Å; F125-I234 HydrophobicContact CE2-CG2 3.83Å; F125-I234 HydrophobicContact CZ-CG2 4.31Å; I199-I234 HydrophobicContact CG2-CD1 4.28Å; I202-I234 HydrophobicContact CB-CD1 4.25Å; I202-I234 HydrophobicContact CG2-CD1 3.76Å; K203-I234 HydrophobicContact CB-CD1 4.46Å; L206-I234 HydrophobicContact CD1-CD1 4.13Å; L206-I234 HydrophobicContact CD1-CG1 4.46Å; L206-I234 HydrophobicContact CD1-CG2 3.5Å; L206-I234 VanDerWaalsContact CD1-CG2 3.5Å; F230-I234 HydrophobicContact CD2-CB 4.22Å; F230-I234 HydrophobicContact CD2-CD1 3.44Å; F230-I234 VanDerWaalsContact CD2-CD1 3.44Å; F230-I234 HydrophobicContact CD2-CG1 4.36Å; F230-I234 HydrophobicContact CE1-CG2 4.43Å; F230-I234 HydrophobicContact CE2-CB 4.09Å; F230-I234 HydrophobicContact CE2-CD1 3.53Å; F230-I234 HydrophobicContact CE2-CG1 4.4Å; F230-I234 HydrophobicContact CE2-CG2 3.9Å; F230-I234 HydrophobicContact CG-CD1 4.37Å; F230-I234 HydrophobicContact CZ-CB 4.3Å; F230-I234 HydrophobicContact CZ-CG2 3.84Å; F230-I234 WeakPolarHBondContact O-CA 3.08Å; F230-I234 VanDerWaalsContact O-CB 3.3Å; F230-I234 WeakPolarHBondContact O-CB 3.39Å; F230-I234 PolarHBondContact O-N 2.97Å
235	C	89.7	Confident	92.5	Very high	17 Å²	17	27.6 Å²	27.6	12%	0.115	16%	0.159	C	C	.	.			trans	-176.6	169.7	172	67.5	0	0	0	0	111.3	F125 I134 F230 E231	F125-C235 HydrophobicContact CE2-CB 4.37Å; I134-C235 WeakPolarHBondContact CD1-SG 3.42Å; F230-C235 VanDerWaalsContact CD1-O 3.24Å; F230-C235 WeakPolarHBondContact CD1-O 3.47Å; F230-C235 WeakPolarHBondContact CE1-O 3.37Å; F230-C235 PolarHBondContact O-N 3.37Å; F230-C235 VanDerWaalsContact O-N 3.09Å; E231-C235 WeakPolarHBondContact CA-O 3.28Å
236	T	92.1	Very high	92.6	Very high	71 Å²	71	27.8 Å²	27.8	44%	0.436	16%	0.161	S	C	.	.			trans	-70	135.2	166.9	49.8	0	0	0	0	111.3	E231	E231-T236 HydrophobicContact CB-CG2 4.24Å; E231-T236 HydrophobicContact CG-CG2 4.06Å
237	P	95.2	Very high	92.2	Very high	3 Å²	3	30.5 Å²	30.5	2%	0.019	18%	0.175	C	C	.	.			trans	-72.3	151.7	175.5	32.1	-36.7	0	0	0	111.2	I134 L136 V240 F289 L294	I134-P237 HydrophobicContact CG2-CB 4.35Å; L136-P237 HydrophobicContact CD1-CB 3.67Å; L136-P237 HydrophobicContact CD1-CG 3.66Å; L136-P237 HydrophobicContact CG-CB 3.71Å; L136-P237 HydrophobicContact CG-CG 4.24Å; P237-V240 HydrophobicContact CB-CG2 4.46Å; P237-V240 HydrophobicContact CG-CG2 3.95Å; P237-F289 HydrophobicContact CG-CE1 4.13Å; P237-L294 HydrophobicContact CG-CD1 4.42Å
238	D	95.4	Very high	91.8	Very high	22 Å²	22	35.9 Å²	35.9	12%	0.118	20%	0.2	C	C	.	.	S	Bend	trans	-78.9	-31.1	175.1	-61.6	-87.7	0	0	0	111.9	R131 K133 I134 L319	R131-D238 IonicContact CZ-OD1 3.31Å; R131-D238 IonicContact CZ-OD2 3.5Å; R131-D238 IonicContact NH1-OD1 2.76Å; R131-D238 PolarHBondContact NH1-OD1 3.06Å; R131-D238 IonicContact NH1-OD2 3.38Å; R131-D238 PolarHBondContact NH1-OD2 3.3Å; R131-D238 IonicContact NH2-OD1 3.62Å; R131-D238 PolarHBondContact NH2-OD1 3.31Å; R131-D238 IonicContact NH2-OD2 2.76Å; K133-D238 VanDerWaalsContact CA-OD2 3.3Å; K133-D238 WeakPolarHBondContact CA-OD2 3.13Å; K133-D238 HydrophobicContact CD-CB 4.47Å; K133-D238 IonicContact NZ-OD1 3.49Å; I134-D238 PolarHBondContact N-OD2 3.18Å; I134-D238 PolarHBondContact O-N 3.47Å; D238-L319 HydrophobicContact CB-CD2 3.64Å
239	L	96.4	Very high	91.6	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	139.1	179.6	174.4	56.8	0	0	0	111.3	I134 I135 L136 V241 L294 M296 V315 K318 L319	I134-L239 PolarHBondContact O-N 3.41Å; I135-L239 CarbonylContact C-O 3.54Å; I135-L239 VanDerWaalsContact CA-O 3.32Å; I135-L239 WeakPolarHBondContact CA-O 3.39Å; I135-L239 HydrophobicContact CG1-CB 4.41Å; I135-L239 HydrophobicContact CG2-CG 4.47Å; L136-L239 PolarHBondContact N-O 3.16Å; L239-V241 HydrophobicContact CD2-CG2 4.12Å; L239-V241 HydrophobicContact CG-CG2 4.13Å; L239-L294 WeakPolarHBondContact CD1-O 3.48Å; L239-M296 HydrophobicContact CD1-CB 4.36Å; L239-M296 HydrophobicContact CD1-CE 3.35Å; L239-M296 HydrophobicContact CD1-CG 3.99Å; L239-M296 HydrophobicContact CD1-SD 4.43Å; L239-M296 HydrophobicContact CD2-CE 3.6Å; L239-M296 HydrophobicContact CG-CE 4.13Å; L239-V315 HydrophobicContact CD2-CG2 3.75Å; L239-K318 HydrophobicContact CD1-CD 4.12Å; L239-L319 HydrophobicContact CB-CD2 4.42Å
240	V	97.8	Very high	91.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	121.3	167	-176.1	0	0	0	0	109.3	L136 I138 P237 F289 L294 I295 M296	L136-V240 HydrophobicContact CB-CG1 4.47Å; L136-V240 HydrophobicContact CB-CG2 4.25Å; L136-V240 HydrophobicContact CD1-CG2 4.31Å; L136-V240 CarbonylContact O-C 3.59Å; L136-V240 WeakPolarHBondContact O-CA 3.3Å; I138-V240 HydrophobicContact CD1-CG1 3.69Å; I138-V240 HydrophobicContact CG1-CG1 3.63Å; I138-V240 HydrophobicContact CG2-CG1 4.46Å; P237-V240 HydrophobicContact CB-CG2 4.46Å; P237-V240 HydrophobicContact CG-CG2 3.95Å; V240-F289 HydrophobicContact CB-CD2 4.48Å; V240-F289 HydrophobicContact CB-CG 4.37Å; V240-F289 HydrophobicContact CG1-CD2 4.01Å; V240-F289 HydrophobicContact CG1-CE2 4.28Å; V240-F289 HydrophobicContact CG1-CG 4.38Å; V240-F289 HydrophobicContact CG2-CB 4.48Å; V240-F289 HydrophobicContact CG2-CD1 3.72Å; V240-F289 HydrophobicContact CG2-CD2 4.12Å; V240-F289 HydrophobicContact CG2-CE1 3.8Å; V240-F289 HydrophobicContact CG2-CE2 4.18Å; V240-F289 HydrophobicContact CG2-CG 3.88Å; V240-F289 HydrophobicContact CG2-CZ 4.02Å; V240-L294 HydrophobicContact CG2-CB 4.49Å; V240-L294 PolarHBondContact N-O 3.28Å; V240-I295 HydrophobicContact CB-CB 4.24Å; V240-I295 HydrophobicContact CB-CG1 4.23Å; V240-I295 HydrophobicContact CG1-CD1 4.23Å; V240-I295 HydrophobicContact CG1-CG1 4.09Å; V240-I295 CarbonylContact O-C 3.52Å; V240-I295 VanDerWaalsContact O-CA 3.25Å; V240-I295 WeakPolarHBondContact O-CA 3.3Å; V240-M296 PolarHBondContact O-N 3.11Å
241	V	97.7	Very high	91.2	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	118.9	174.6	176	0	0	0	0	108.4	I135 L136 V137 I138 L239 L243 F298 I311	I135-V241 HydrophobicContact CG2-CG2 3.96Å; L136-V241 PolarHBondContact O-N 3.16Å; V137-V241 WeakPolarHBondContact CA-O 3.47Å; V137-V241 HydrophobicContact CG1-CB 4.49Å; V137-V241 HydrophobicContact CG1-CG1 4.48Å; V137-V241 HydrophobicContact CG2-CB 4.36Å; I138-V241 WeakPolarHBondContact CG1-O 3.43Å; I138-V241 PolarHBondContact N-O 3.26Å; L239-V241 HydrophobicContact CD2-CG2 4.12Å; L239-V241 HydrophobicContact CG-CG2 4.13Å; V241-L243 HydrophobicContact CG1-CD2 4.15Å; V241-F298 HydrophobicContact CG1-CD2 3.8Å; V241-F298 HydrophobicContact CG1-CE2 3.92Å; V241-I311 HydrophobicContact CG1-CD1 4.14Å; V241-I311 HydrophobicContact CG1-CG1 4.17Å; V241-I311 HydrophobicContact CG1-CG2 4.48Å; V241-I311 HydrophobicContact CG2-CG2 4.44Å
242	F	97.1	Very high	91	Very high	26 Å²	26	42.9 Å²	42.9	11%	0.114	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	118.1	175.7	178.8	-118	0	0	0	111.6	I138 A244 F278 V286 I295 M296 T297 F298	I138-F242 HydrophobicContact CD1-CB 4.06Å; I138-F242 HydrophobicContact CD1-CD2 3.76Å; I138-F242 HydrophobicContact CD1-CG 4.26Å; I138-F242 HydrophobicContact CG1-CB 3.95Å; I138-F242 HydrophobicContact CG1-CD2 3.81Å; I138-F242 HydrophobicContact CG1-CG 4.35Å; I138-F242 WeakPolarHBondContact O-CA 3.24Å; F242-A244 HydrophobicContact CD1-CB 4.36Å; F242-A244 HydrophobicContact CE1-CB 3.92Å; F242-A244 PolarHBondContact O-N 2.93Å; F242-F278 HydrophobicContact CE2-CE2 4.22Å; F242-F278 AromaticContact CE2-CZ 3.91Å; F242-F278 HydrophobicContact CE2-CZ 3.91Å; F242-F278 HydrophobicContact CZ-CZ 4.23Å; F242-V286 HydrophobicContact CD1-CG2 3.97Å; F242-V286 HydrophobicContact CD2-CG2 3.86Å; F242-V286 HydrophobicContact CE1-CG2 3.88Å; F242-V286 HydrophobicContact CE2-CG2 3.74Å; F242-V286 HydrophobicContact CG-CG2 3.98Å; F242-V286 HydrophobicContact CZ-CG2 3.76Å; F242-I295 HydrophobicContact CB-CD1 3.8Å; F242-I295 HydrophobicContact CB-CG1 3.94Å; F242-I295 HydrophobicContact CG-CD1 4.42Å; F242-M296 PolarHBondContact N-O 3.42Å; F242-T297 HydrophobicContact CD1-CG2 3.67Å; F242-T297 HydrophobicContact CE1-CG2 4.24Å; F242-T297 CarbonylContact O-C 3.6Å; F242-T297 WeakPolarHBondContact O-CA 3.43Å; F242-F298 PolarHBondContact O-N 3.5Å
243	L	96.1	Very high	90.9	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	97.1	175.3	-60.8	-176	0	0	0	109.7	V137 I138 K145 Q148 V241 F298 A300 V307 I311	V137-L243 HydrophobicContact CG1-CD1 4.37Å; I138-L243 PolarHBondContact O-N 3.32Å; K145-L243 HydrophobicContact CB-CD1 4.28Å; K145-L243 HydrophobicContact CG-CD1 3.96Å; Q148-L243 HydrophobicContact CB-CD1 4.24Å; Q148-L243 HydrophobicContact CG-CD1 4Å; Q148-L243 HydrophobicContact CG-CD2 4.45Å; V241-L243 HydrophobicContact CG1-CD2 4.15Å; L243-F298 HydrophobicContact CD2-CB 4.3Å; L243-A300 HydrophobicContact CB-CB 3.92Å; L243-A300 HydrophobicContact CD2-CB 4.44Å; L243-V307 HydrophobicContact CD2-CG1 4.24Å; L243-I311 HydrophobicContact CD2-CD1 3.82Å
244	A	92.7	Very high	90.7	Very high	30 Å²	30	37.7 Å²	37.7	25%	0.248	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	131.5	173.6	0	0	0	0	0	109.5	F242 T297 F298 A300	F242-A244 HydrophobicContact CD1-CB 4.36Å; F242-A244 HydrophobicContact CE1-CB 3.92Å; F242-A244 PolarHBondContact O-N 2.93Å; A244-T297 HydrophobicContact CB-CG2 3.91Å; A244-F298 PolarHBondContact N-O 2.95Å; A244-A300 WeakPolarHBondContact O-CA 3.46Å; A244-A300 WeakPolarHBondContact O-CB 3.2Å; A244-A300 PolarHBondContact O-N 2.72Å
245	C	91.7	Very high	90.3	Very high	21 Å²	21	41 Å²	41	14%	0.142	21%	0.209	C	C	.	.			trans	-154.3	135.1	-176.8	175	0	0	0	0	109.2	N247 L250 A300 D301	C245-N247 PolarHBondContact O-N 3.37Å; C245-L250 HydrophobicContact CB-CD2 3.73Å; C245-L250 HydrophobicContact CB-CG 4.12Å; C245-L250 WeakPolarHBondContact SG-CD2 3.4Å; C245-A300 HydrophobicContact CB-CB 4.17Å; C245-D301 PolarHBondContact SG-OD1 2.8Å
246	A	89	Confident	89.9	Confident	46 Å²	46	46.5 Å²	46.5	38%	0.38	23%	0.231	S	C	.	.			trans	-57.3	138.5	-179.7	0	0	0	0	0	111.5	Q248 R249 L250 D301	A246-Q248 PolarHBondContact O-N 3.3Å; A246-Q248 VanDerWaalsContact O-N 3.08Å; A246-R249 HydrophobicContact CB-CB 4.43Å; A246-R249 PolarHBondContact O-N 2.99Å; A246-L250 PolarHBondContact O-N 3.07Å; A246-D301 VanDerWaalsContact CB-OD2 3.24Å; A246-D301 WeakPolarHBondContact CB-OD2 3.37Å; A246-D301 PolarHBondContact N-OD1 2.85Å; A246-D301 PolarHBondContact N-OD2 3.44Å
247	N	85.4	Confident	89.3	Confident	62 Å²	62	46 Å²	46	33%	0.332	22%	0.221	S	C	.	.	H	α-helix	trans	-55	-33.9	-178.3	-73.9	-55.6	0	0	0	113.6	C245 K251 K279	C245-N247 PolarHBondContact O-N 3.37Å; N247-K251 WeakPolarHBondContact O-CG 3.37Å; N247-K251 PolarHBondContact O-N 3.2Å; N247-K251 VanDerWaalsContact O-N 3.16Å; N247-K279 WeakPolarHBondContact ND2-CE 3.34Å; N247-K279 PolarHBondContact ND2-NZ 3.43Å; N247-K279 WeakPolarHBondContact OD1-CE 3.3Å
248	Q	84.8	Confident	88.2	Confident	114 Å²	114	47.2 Å²	47.2	53%	0.533	23%	0.232	S	C	.	.	H	α-helix	trans	-66.1	-46.9	178.2	-175.3	57.1	25.9	0	0	111	A246 L250 K251 E252	A246-Q248 PolarHBondContact O-N 3.3Å; A246-Q248 VanDerWaalsContact O-N 3.08Å; Q248-L250 PolarHBondContact O-N 3.2Å; Q248-K251 WeakPolarHBondContact O-CB 3.47Å; Q248-K251 PolarHBondContact O-N 3.39Å; Q248-E252 WeakPolarHBondContact CG-OE1 3.49Å; Q248-E252 PolarHBondContact NE2-OE1 2.84Å; Q248-E252 WeakPolarHBondContact O-CG 3.33Å; Q248-E252 PolarHBondContact O-N 2.92Å
249	R	86.9	Confident	87.1	Confident	101 Å²	101	53.9 Å²	53.9	38%	0.381	26%	0.262	S	S	.	.	H	α-helix	trans	-65.6	-38.7	178	-166.9	136.9	172	143.7	-2.9	112.3	A246 K251 E252 R253 D301	A246-R249 HydrophobicContact CB-CB 4.43Å; A246-R249 PolarHBondContact O-N 2.99Å; R249-K251 PolarHBondContact O-N 3.19Å; R249-E252 PolarHBondContact O-N 2.86Å; R249-R253 WeakPolarHBondContact O-CB 3.32Å; R249-R253 WeakPolarHBondContact O-CG 3.43Å; R249-R253 PolarHBondContact O-N 2.92Å; R249-D301 WeakPolarHBondContact CB-OD1 3.33Å; R249-D301 VanDerWaalsContact CD-OD1 3.22Å; R249-D301 WeakPolarHBondContact CD-OD1 3.38Å; R249-D301 WeakPolarHBondContact CG-OD1 3.34Å; R249-D301 PolarHBondContact NE-O 3.24Å; R249-D301 IonicContact NE-OD1 2.63Å; R249-D301 PolarHBondContact NH2-O 2.96Å
250	L	88.3	Confident	85.8	Confident	1 Å²	1	61.2 Å²	61.2	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-58.1	-47.6	172	-66.6	179	0	0	0	111.9	P141 S143 C245 A246 Q248 R253 L254 L275 F278	P141-L250 WeakPolarHBondContact O-CD2 3.31Å; S143-L250 VanDerWaalsContact N-CD2 3.32Å; C245-L250 HydrophobicContact CB-CD2 3.73Å; C245-L250 HydrophobicContact CB-CG 4.12Å; C245-L250 WeakPolarHBondContact SG-CD2 3.4Å; A246-L250 PolarHBondContact O-N 3.07Å; Q248-L250 PolarHBondContact O-N 3.2Å; L250-R253 PolarHBondContact O-N 2.9Å; L250-L254 WeakPolarHBondContact O-CB 3.38Å; L250-L254 VanDerWaalsContact O-CG 3.23Å; L250-L254 WeakPolarHBondContact O-CG 3.31Å; L250-L254 PolarHBondContact O-N 3.1Å; L250-L275 HydrophobicContact CB-CD2 3.82Å; L250-L275 HydrophobicContact CD1-CD2 3.91Å; L250-F278 HydrophobicContact CD1-CE1 4.46Å
251	K	85.6	Confident	84.1	Confident	98 Å²	98	67 Å²	67	43%	0.426	32%	0.324	S	S	.	.	H	α-helix	trans	-60.9	-47.9	178.3	-74.3	172.4	-178.3	178.9	0	111.6	N247 Q248 R249 R253 L254 L255 L275	N247-K251 WeakPolarHBondContact O-CG 3.37Å; N247-K251 PolarHBondContact O-N 3.2Å; N247-K251 VanDerWaalsContact O-N 3.16Å; Q248-K251 WeakPolarHBondContact O-CB 3.47Å; Q248-K251 PolarHBondContact O-N 3.39Å; R249-K251 PolarHBondContact O-N 3.19Å; K251-R253 PolarHBondContact O-N 2.9Å; K251-L254 PolarHBondContact O-N 2.86Å; K251-L255 WeakPolarHBondContact O-CG 3.21Å; K251-L255 PolarHBondContact O-N 2.92Å; K251-L275 HydrophobicContact CD-CD1 4.47Å; K251-L275 HydrophobicContact CG-CD1 3.43Å; K251-L275 VanDerWaalsContact CG-CD1 3.43Å
252	E	86.4	Confident	82.3	Confident	86 Å²	86	69.8 Å²	69.8	40%	0.402	35%	0.353	S	S	.	.	H	α-helix	trans	-60.3	-45.6	179.3	-72.3	168.5	-165.7	0	0	112	Q248 R249 L254 L255 K256	Q248-E252 WeakPolarHBondContact CG-OE1 3.49Å; Q248-E252 PolarHBondContact NE2-OE1 2.84Å; Q248-E252 WeakPolarHBondContact O-CG 3.33Å; Q248-E252 PolarHBondContact O-N 2.92Å; R249-E252 PolarHBondContact O-N 2.86Å; E252-L254 VanDerWaalsContact C-N 3.31Å; E252-L254 PolarHBondContact O-N 3.37Å; E252-L255 PolarHBondContact O-N 3.35Å; E252-K256 WeakPolarHBondContact O-CG 2.82Å; E252-K256 PolarHBondContact O-N 2.88Å
253	R	86.5	Confident	80.9	Confident	73 Å²	73	72.4 Å²	72.4	28%	0.275	36%	0.362	S	S	.	.	H	α-helix	trans	-64.9	-34.1	177	-72.2	179.7	175.1	170.5	-0.6	112.2	G142 R249 L250 K251 R257 A300	G142-R253 WeakPolarHBondContact O-CD 3.4Å; R249-R253 WeakPolarHBondContact O-CB 3.32Å; R249-R253 WeakPolarHBondContact O-CG 3.43Å; R249-R253 PolarHBondContact O-N 2.92Å; L250-R253 PolarHBondContact O-N 2.9Å; K251-R253 PolarHBondContact O-N 2.9Å; R253-R257 WeakPolarHBondContact O-CB 3.29Å; R253-R257 PolarHBondContact O-N 3.38Å; R253-R257 VanDerWaalsContact O-N 3.14Å; R253-A300 PolarHBondContact NH1-O 3.19Å; R253-A300 PolarHBondContact NH2-O 3.48Å
254	L	81.7	Confident	79	Confident	2 Å²	2	76.7 Å²	76.7	1%	0.01	39%	0.39	C	S	.	.	H	α-helix	trans	-72	-41.2	175.7	-72.7	169	0	0	0	112.7	P141 L250 K251 E252 R257 A258 T271 L275	P141-L254 HydrophobicContact CB-CD1 3.88Å; P141-L254 HydrophobicContact CB-CD2 3.98Å; P141-L254 HydrophobicContact CB-CG 4.47Å; P141-L254 HydrophobicContact CG-CD1 3.89Å; P141-L254 VanDerWaalsContact O-CD1 3.3Å; P141-L254 WeakPolarHBondContact O-CD1 3.3Å; L250-L254 WeakPolarHBondContact O-CB 3.38Å; L250-L254 VanDerWaalsContact O-CG 3.23Å; L250-L254 WeakPolarHBondContact O-CG 3.31Å; L250-L254 PolarHBondContact O-N 3.1Å; K251-L254 PolarHBondContact O-N 2.86Å; E252-L254 VanDerWaalsContact C-N 3.31Å; E252-L254 PolarHBondContact O-N 3.37Å; L254-R257 PolarHBondContact O-N 3.36Å; L254-A258 PolarHBondContact O-N 3.23Å; L254-T271 HydrophobicContact CB-CG2 3.73Å; L254-T271 HydrophobicContact CD1-CG2 3.48Å; L254-T271 VanDerWaalsContact CD1-CG2 3.48Å; L254-T271 HydrophobicContact CG-CG2 4.16Å; L254-L275 HydrophobicContact CD1-CD1 4.13Å; L254-L275 HydrophobicContact CD1-CD2 4.16Å; L254-L275 HydrophobicContact CD1-CG 4.06Å
255	L	79.7	Confident	77.5	Confident	88 Å²	88	75.5 Å²	75.5	46%	0.461	38%	0.38	S	S	.	.	H	α-helix	trans	-63.4	-47	176.6	-71.5	170.3	0	0	0	111.3	K251 E252 R257 A258 E259	K251-L255 WeakPolarHBondContact O-CG 3.21Å; K251-L255 PolarHBondContact O-N 2.92Å; E252-L255 PolarHBondContact O-N 3.35Å; L255-R257 VanDerWaalsContact C-N 3.26Å; L255-R257 PolarHBondContact O-N 2.87Å; L255-A258 WeakPolarHBondContact O-CB 3.38Å; L255-A258 PolarHBondContact O-N 3.44Å; L255-A258 VanDerWaalsContact O-N 3.13Å; L255-E259 PolarHBondContact O-N 3.19Å; L255-E259 VanDerWaalsContact O-N 3.1Å
256	K	82.4	Confident	76.3	Confident	133 Å²	133	75.3 Å²	75.3	58%	0.578	38%	0.377	S	S	*	.	H	α-helix	trans	-57.6	-39.4	173.9	-73.6	-178.1	178.4	-179.2	0	112.1	E252 E259 Q260	E252-K256 WeakPolarHBondContact O-CG 2.82Å; E252-K256 PolarHBondContact O-N 2.88Å; K256-E259 PolarHBondContact O-N 3.25Å; K256-Q260 WeakPolarHBondContact O-CB 3.34Å; K256-Q260 VanDerWaalsContact O-CG 3.31Å; K256-Q260 WeakPolarHBondContact O-CG 3.2Å; K256-Q260 PolarHBondContact O-N 2.92Å
257	R	78.2	Confident	75.5	Confident	59 Å²	59	76.3 Å²	76.3	22%	0.223	38%	0.376	C	S	.	.	H	α-helix	trans	-66.5	-41.8	176.4	-175.9	178.9	-69.2	131.5	1.8	112.1	R253 L254 L255 E259 Q260 Q261	R253-R257 WeakPolarHBondContact O-CB 3.29Å; R253-R257 PolarHBondContact O-N 3.38Å; R253-R257 VanDerWaalsContact O-N 3.14Å; L254-R257 PolarHBondContact O-N 3.36Å; L255-R257 VanDerWaalsContact C-N 3.26Å; L255-R257 PolarHBondContact O-N 2.87Å; R257-E259 VanDerWaalsContact C-N 3.27Å; R257-E259 PolarHBondContact O-N 3.3Å; R257-Q260 PolarHBondContact O-N 3.44Å; R257-Q261 HydrophobicContact CG-CB 4.14Å; R257-Q261 HydrophobicContact CG-CG 4.32Å; R257-Q261 WeakPolarHBondContact O-CB 3.22Å; R257-Q261 PolarHBondContact O-N 3.16Å
258	A	73.2	Confident	74.9	Confident	30 Å²	30	77.9 Å²	77.9	25%	0.248	39%	0.387	C	S	.	.	H	α-helix	trans	-60.1	-39.9	178.1	0	0	0	0	0	111.6	L254 L255 D266	L254-A258 PolarHBondContact O-N 3.23Å; L255-A258 WeakPolarHBondContact O-CB 3.38Å; L255-A258 PolarHBondContact O-N 3.44Å; L255-A258 VanDerWaalsContact O-N 3.13Å; A258-D266 HydrophobicContact CB-CB 3.86Å
259	E	71.3	Confident	74.5	Confident	161 Å²	161	79.8 Å²	79.8	75%	0.752	39%	0.394	S	S	*	.	H	α-helix	trans	-68.5	-35.7	177.3	-70.3	172.9	-177	0	0	113.2	L255 K256 R257	L255-E259 PolarHBondContact O-N 3.19Å; L255-E259 VanDerWaalsContact O-N 3.1Å; K256-E259 PolarHBondContact O-N 3.25Å; R257-E259 VanDerWaalsContact C-N 3.27Å; R257-E259 PolarHBondContact O-N 3.3Å
260	Q	68.8	Low	74.1	Confident	154 Å²	154	75 Å²	75	72%	0.72	38%	0.376	S	S	*	.	H	α-helix	trans	-96.4	-35.3	-171.6	-68.2	177.1	-6.6	0	0	114.8	K256 R257	K256-Q260 WeakPolarHBondContact O-CB 3.34Å; K256-Q260 VanDerWaalsContact O-CG 3.31Å; K256-Q260 WeakPolarHBondContact O-CG 3.2Å; K256-Q260 PolarHBondContact O-N 2.92Å; R257-Q260 PolarHBondContact O-N 3.44Å
261	Q	62.1	Low	73.7	Confident	121 Å²	121	75.6 Å²	75.6	57%	0.565	38%	0.38	S	S	*	.	H	α-helix	trans	-114.5	-12.3	-167.2	-65.6	-175.8	-6.9	0	0	114	R257 R263	R257-Q261 HydrophobicContact CG-CB 4.14Å; R257-Q261 HydrophobicContact CG-CG 4.32Å; R257-Q261 WeakPolarHBondContact O-CB 3.22Å; R257-Q261 PolarHBondContact O-N 3.16Å; Q261-R263 PolarHBondContact O-N 2.85Å
262	G	61.1	Low	73.5	Confident	60 Å²	60	76.7 Å²	76.7	62%	0.619	39%	0.386	S	S	*	.			trans	53.9	44.9	170.5	0	0	0	0	0	115.5
263	R	66.7	Low	73.4	Confident	80 Å²	80	77.8 Å²	77.8	30%	0.302	39%	0.387	S	S	.	.			trans	-68.2	143.9	176	-61	-178.2	166.2	179.5	-3.7	110.9	Q261 D265 D266	Q261-R263 PolarHBondContact O-N 2.85Å; R263-D265 PolarHBondContact O-N 2.89Å; R263-D265 VanDerWaalsContact O-N 3.13Å; R263-D266 HydrophobicContact CB-CB 4.07Å; R263-D266 VanDerWaalsContact CB-OD2 3.26Å; R263-D266 WeakPolarHBondContact CB-OD2 3.39Å; R263-D266 WeakPolarHBondContact CD-OD2 3.23Å; R263-D266 WeakPolarHBondContact CG-OD2 3.47Å; R263-D266 PolarHBondContact O-N 3.08Å
264	P	56.7	Low	73.3	Confident	90 Å²	90	75.9 Å²	75.9	58%	0.584	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-24.2	-179.7	22.3	-32	0	0	0	113.7
265	D	61.8	Low	73.6	Confident	6 Å²	6	76.3 Å²	76.3	3%	0.032	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	1	176.8	61.7	-51.6	0	0	0	114.5	R263 N267 A270 R274	R263-D265 PolarHBondContact O-N 2.89Å; R263-D265 VanDerWaalsContact O-N 3.13Å; D265-N267 PolarHBondContact O-N 3.47Å; D265-N267 VanDerWaalsContact O-N 3.07Å; D265-A270 WeakPolarHBondContact O-CB 3.45Å; D265-R274 IonicContact OD2-CZ 3.05Å; D265-R274 IonicContact OD2-NH1 2.93Å; D265-R274 PolarHBondContact OD2-NH1 2.91Å
266	D	65.8	Low	73.9	Confident	17 Å²	17	77.5 Å²	77.5	9%	0.091	39%	0.386	C	S	.	.			trans	-86.3	44.2	179.4	-74.6	-14.3	0	0	0	111.8	A258 R263 R274	A258-D266 HydrophobicContact CB-CB 3.86Å; R263-D266 HydrophobicContact CB-CB 4.07Å; R263-D266 VanDerWaalsContact CB-OD2 3.26Å; R263-D266 WeakPolarHBondContact CB-OD2 3.39Å; R263-D266 WeakPolarHBondContact CD-OD2 3.23Å; R263-D266 WeakPolarHBondContact CG-OD2 3.47Å; R263-D266 PolarHBondContact O-N 3.08Å; D266-R274 IonicContact OD1-NH1 3.89Å
267	N	71.9	Confident	74.1	Confident	66 Å²	66	72.8 Å²	72.8	35%	0.353	37%	0.368	S	S	.	.	S	Bend	trans	-89.3	154.8	168.4	70.4	73.2	0	0	0	110.8	T188 D265 K269 A270 T271	T188-N267 PolarHBondContact O-ND2 2.9Å; D265-N267 PolarHBondContact O-N 3.47Å; D265-N267 VanDerWaalsContact O-N 3.07Å; N267-K269 VanDerWaalsContact C-N 3.26Å; N267-K269 PolarHBondContact O-N 3.08Å; N267-K269 PolarHBondContact OD1-N 2.93Å; N267-A270 WeakPolarHBondContact ND2-CB 3.34Å; N267-A270 PolarHBondContact O-N 3.37Å; N267-A270 WeakPolarHBondContact OD1-CB 3.49Å; N267-A270 PolarHBondContact OD1-N 3.33Å; N267-T271 WeakPolarHBondContact O-CB 3.46Å; N267-T271 PolarHBondContact O-N 3.42Å; N267-T271 PolarHBondContact O-OG1 2.99Å
268	V	72.4	Confident	74.6	Confident	95 Å²	95	72.1 Å²	72.1	58%	0.576	37%	0.366	S	S	*	.	H	α-helix	trans	-54.6	-41.7	-175.7	179.6	0	0	0	0	112	Q272	V268-Q272 WeakPolarHBondContact O-CG 3.28Å; V268-Q272 PolarHBondContact O-N 3.49Å
269	K	77.1	Confident	75.2	Confident	155 Å²	155	76.3 Å²	76.3	67%	0.674	38%	0.379	S	S	*	.	H	α-helix	trans	-69	-43.5	-179.4	-67.4	-176.4	178.1	-179.6	0	112.2	N267 Q272 R273	N267-K269 VanDerWaalsContact C-N 3.26Å; N267-K269 PolarHBondContact O-N 3.08Å; N267-K269 PolarHBondContact OD1-N 2.93Å; K269-Q272 PolarHBondContact O-N 2.99Å; K269-R273 WeakPolarHBondContact O-CG 3.26Å; K269-R273 PolarHBondContact O-N 2.97Å
270	A	78.3	Confident	76	Confident	1 Å²	1	74.2 Å²	74.2	1%	0.008	37%	0.369	C	S	.	.	H	α-helix	trans	-66.7	-40.3	177.1	0	0	0	0	0	111.3	D265 N267 Q272 R273 R274	D265-A270 WeakPolarHBondContact O-CB 3.45Å; N267-A270 WeakPolarHBondContact ND2-CB 3.34Å; N267-A270 PolarHBondContact O-N 3.37Å; N267-A270 WeakPolarHBondContact OD1-CB 3.49Å; N267-A270 PolarHBondContact OD1-N 3.33Å; A270-Q272 PolarHBondContact O-N 3.29Å; A270-R273 PolarHBondContact O-N 3.34Å; A270-R274 VanDerWaalsContact O-CG 3.25Å; A270-R274 WeakPolarHBondContact O-CG 3.4Å; A270-R274 PolarHBondContact O-N 3.39Å
271	T	79.3	Confident	76.9	Confident	12 Å²	12	69 Å²	69	7%	0.074	35%	0.347	C	S	.	.	H	α-helix	trans	-59.9	-46.7	175.2	-58.9	0	0	0	0	111.5	L254 N267 R274 L275	L254-T271 HydrophobicContact CB-CG2 3.73Å; L254-T271 HydrophobicContact CD1-CG2 3.48Å; L254-T271 VanDerWaalsContact CD1-CG2 3.48Å; L254-T271 HydrophobicContact CG-CG2 4.16Å; N267-T271 WeakPolarHBondContact O-CB 3.46Å; N267-T271 PolarHBondContact O-N 3.42Å; N267-T271 PolarHBondContact O-OG1 2.99Å; T271-R274 PolarHBondContact O-N 3.38Å; T271-L275 HydrophobicContact CG2-CD1 4.43Å; T271-L275 PolarHBondContact O-N 2.95Å
272	Q	82.6	Confident	78.2	Confident	121 Å²	121	63.9 Å²	63.9	57%	0.565	32%	0.324	S	S	*	.	H	α-helix	trans	-60	-45.7	174.9	-76.5	176.8	-12.1	0	0	112	V268 K269 A270 R274 L275 M276	V268-Q272 WeakPolarHBondContact O-CG 3.28Å; V268-Q272 PolarHBondContact O-N 3.49Å; K269-Q272 PolarHBondContact O-N 2.99Å; A270-Q272 PolarHBondContact O-N 3.29Å; Q272-R274 PolarHBondContact O-N 3.44Å; Q272-L275 PolarHBondContact O-N 2.9Å; Q272-M276 WeakPolarHBondContact O-CB 3.35Å; Q272-M276 PolarHBondContact O-N 2.9Å
273	R	84.4	Confident	79.5	Confident	110 Å²	110	64.3 Å²	64.3	42%	0.415	32%	0.322	S	S	.	.	H	α-helix	trans	-62	-41.6	177.3	-76.2	172	177.5	-170.5	-3.8	112.5	T189 K269 A270 L275 M276 N277	T189-R273 WeakPolarHBondContact O-CD 3.42Å; T189-R273 PolarHBondContact O-NH1 2.95Å; K269-R273 WeakPolarHBondContact O-CG 3.26Å; K269-R273 PolarHBondContact O-N 2.97Å; A270-R273 PolarHBondContact O-N 3.34Å; R273-L275 VanDerWaalsContact C-N 3.34Å; R273-L275 PolarHBondContact O-N 2.86Å; R273-M276 PolarHBondContact O-N 2.87Å; R273-N277 WeakPolarHBondContact O-CB 3.37Å; R273-N277 PolarHBondContact O-N 3.24Å; R273-N277 PolarHBondContact O-ND2 2.94Å
274	R	84.6	Confident	80.7	Confident	32 Å²	32	63.7 Å²	63.7	12%	0.121	33%	0.329	C	S	.	.	H	α-helix	trans	-63.1	-40.1	176.6	-69.8	174.2	72.2	163.9	15.5	112.3	P141 G190 D265 D266 A270 T271 Q272 F278	P141-R274 HydrophobicContact CB-CB 4.42Å; P141-R274 HydrophobicContact CG-CB 4.01Å; G190-R274 WeakPolarHBondContact O-CG 3.25Å; D265-R274 IonicContact OD2-CZ 3.05Å; D265-R274 IonicContact OD2-NH1 2.93Å; D265-R274 PolarHBondContact OD2-NH1 2.91Å; D266-R274 IonicContact OD1-NH1 3.89Å; A270-R274 VanDerWaalsContact O-CG 3.25Å; A270-R274 WeakPolarHBondContact O-CG 3.4Å; A270-R274 PolarHBondContact O-N 3.39Å; T271-R274 PolarHBondContact O-N 3.38Å; Q272-R274 PolarHBondContact O-N 3.44Å; R274-F278 WeakPolarHBondContact O-CB 3.27Å; R274-F278 PolarHBondContact O-N 3.34Å
275	L	86.4	Confident	82.5	Confident	11 Å²	11	59.7 Å²	59.7	6%	0.058	30%	0.302	C	S	.	.	H	α-helix	trans	-67.5	-41.3	174.6	-74.4	168.4	0	0	0	111.7	P141 L250 K251 L254 T271 Q272 R273 F278 K279	P141-L275 HydrophobicContact CG-CD2 3.76Å; P141-L275 HydrophobicContact CG-CG 4.06Å; L250-L275 HydrophobicContact CB-CD2 3.82Å; L250-L275 HydrophobicContact CD1-CD2 3.91Å; K251-L275 HydrophobicContact CD-CD1 4.47Å; K251-L275 HydrophobicContact CG-CD1 3.43Å; K251-L275 VanDerWaalsContact CG-CD1 3.43Å; L254-L275 HydrophobicContact CD1-CD1 4.13Å; L254-L275 HydrophobicContact CD1-CD2 4.16Å; L254-L275 HydrophobicContact CD1-CG 4.06Å; T271-L275 HydrophobicContact CG2-CD1 4.43Å; T271-L275 PolarHBondContact O-N 2.95Å; Q272-L275 PolarHBondContact O-N 2.9Å; R273-L275 VanDerWaalsContact C-N 3.34Å; R273-L275 PolarHBondContact O-N 2.86Å; L275-F278 PolarHBondContact O-N 3.49Å; L275-K279 WeakPolarHBondContact O-CG 3.32Å; L275-K279 PolarHBondContact O-N 3.22Å
276	M	86.6	Confident	84	Confident	113 Å²	113	60.4 Å²	60.4	56%	0.557	31%	0.307	S	S	*	.	H	α-helix	trans	-62.2	-49.6	176.1	-178.9	177.8	-84.5	0	0	111.5	Q272 R273 F278 K279 Q280	Q272-M276 WeakPolarHBondContact O-CB 3.35Å; Q272-M276 PolarHBondContact O-N 2.9Å; R273-M276 PolarHBondContact O-N 2.87Å; M276-F278 VanDerWaalsContact C-N 3.3Å; M276-F278 PolarHBondContact O-N 3.13Å; M276-K279 WeakPolarHBondContact O-CB 3.34Å; M276-K279 PolarHBondContact O-N 3.32Å; M276-K279 VanDerWaalsContact O-N 3.15Å; M276-Q280 WeakPolarHBondContact O-CG 3.35Å; M276-Q280 PolarHBondContact O-N 3.38Å
277	N	86.2	Confident	85.2	Confident	34 Å²	34	65.6 Å²	65.6	18%	0.182	33%	0.329	C	S	.	.	H	α-helix	trans	-59.4	-42.1	176.4	-69.9	-16.2	0	0	0	111.3	G190 R273 Q280 N281	G190-N277 PolarHBondContact O-ND2 3.46Å; R273-N277 WeakPolarHBondContact O-CB 3.37Å; R273-N277 PolarHBondContact O-N 3.24Å; R273-N277 PolarHBondContact O-ND2 2.94Å; N277-Q280 PolarHBondContact O-N 3.01Å; N277-N281 WeakPolarHBondContact O-CB 3.47Å; N277-N281 PolarHBondContact O-N 3.47Å; N277-N281 PolarHBondContact O-ND2 3.01Å
278	F	88.6	Confident	86.2	Confident	45 Å²	45	63.9 Å²	63.9	20%	0.197	32%	0.318	C	S	.	.	H	α-helix	trans	-61.2	-47.7	174.3	175.9	-105.4	0	0	0	111.6	F242 L250 R274 L275 M276 Q280 N281 A282	F242-F278 HydrophobicContact CE2-CE2 4.22Å; F242-F278 AromaticContact CE2-CZ 3.91Å; F242-F278 HydrophobicContact CE2-CZ 3.91Å; F242-F278 HydrophobicContact CZ-CZ 4.23Å; L250-F278 HydrophobicContact CD1-CE1 4.46Å; R274-F278 WeakPolarHBondContact O-CB 3.27Å; R274-F278 PolarHBondContact O-N 3.34Å; L275-F278 PolarHBondContact O-N 3.49Å; M276-F278 VanDerWaalsContact C-N 3.3Å; M276-F278 PolarHBondContact O-N 3.13Å; F278-Q280 VanDerWaalsContact C-N 3.3Å; F278-Q280 PolarHBondContact O-N 3.4Å; F278-N281 PolarHBondContact O-N 3.47Å; F278-A282 HydrophobicContact CD1-CB 4.45Å; F278-A282 HydrophobicContact CD2-CB 3.87Å; F278-A282 HydrophobicContact CE1-CB 4.16Å; F278-A282 HydrophobicContact CE2-CB 3.53Å; F278-A282 HydrophobicContact CG-CB 4.32Å; F278-A282 HydrophobicContact CZ-CB 3.69Å; F278-A282 WeakPolarHBondContact O-CA 3.45Å; F278-A282 WeakPolarHBondContact O-CB 3.43Å; F278-A282 PolarHBondContact O-N 2.95Å
279	K	86.8	Confident	87.3	Confident	118 Å²	118	59.4 Å²	59.4	51%	0.513	29%	0.29	S	S	.	.	H	α-helix	trans	-58.3	-41.9	177.9	-76.8	-176.1	174.1	-156.8	0	112.9	N247 L275 M276	N247-K279 WeakPolarHBondContact ND2-CE 3.34Å; N247-K279 PolarHBondContact ND2-NZ 3.43Å; N247-K279 WeakPolarHBondContact OD1-CE 3.3Å; L275-K279 WeakPolarHBondContact O-CG 3.32Å; L275-K279 PolarHBondContact O-N 3.22Å; M276-K279 WeakPolarHBondContact O-CB 3.34Å; M276-K279 PolarHBondContact O-N 3.32Å; M276-K279 VanDerWaalsContact O-N 3.15Å
280	Q	87.3	Confident	88.1	Confident	118 Å²	118	58 Å²	58	55%	0.551	29%	0.286	S	S	*	.	H	α-helix	trans	-68.9	-40.6	-179.3	-72.7	174.4	-19.2	0	0	112.1	M276 N277 F278	M276-Q280 WeakPolarHBondContact O-CG 3.35Å; M276-Q280 PolarHBondContact O-N 3.38Å; N277-Q280 PolarHBondContact O-N 3.01Å; F278-Q280 VanDerWaalsContact C-N 3.3Å; F278-Q280 PolarHBondContact O-N 3.4Å
281	N	88.7	Confident	88.7	Confident	45 Å²	45	63.7 Å²	63.7	24%	0.241	31%	0.312	C	S	.	.	H	α-helix	trans	-99.1	-20	-170	-61.2	-20.3	0	0	0	114.1	R222 D223 N277 F278 P284 L285	R222-N281 WeakPolarHBondContact O-CB 3.44Å; D223-N281 HydrophobicContact CB-CB 4.1Å; N277-N281 WeakPolarHBondContact O-CB 3.47Å; N277-N281 PolarHBondContact O-N 3.47Å; N277-N281 PolarHBondContact O-ND2 3.01Å; F278-N281 PolarHBondContact O-N 3.47Å; N281-P284 WeakPolarHBondContact O-CD 3.44Å; N281-L285 VanDerWaalsContact O-CB 3.26Å; N281-L285 WeakPolarHBondContact O-CB 3.29Å; N281-L285 PolarHBondContact O-N 3.38Å
282	A	89.1	Confident	89.3	Confident	12 Å²	12	67 Å²	67	10%	0.099	33%	0.326	C	S	.	.	H	α-helix	trans	-67	-45.5	-174.9	0	0	0	0	0	112.6	F278 L285 V286	F278-A282 HydrophobicContact CD1-CB 4.45Å; F278-A282 HydrophobicContact CD2-CB 3.87Å; F278-A282 HydrophobicContact CE1-CB 4.16Å; F278-A282 HydrophobicContact CE2-CB 3.53Å; F278-A282 HydrophobicContact CG-CB 4.32Å; F278-A282 HydrophobicContact CZ-CB 3.69Å; F278-A282 WeakPolarHBondContact O-CA 3.45Å; F278-A282 WeakPolarHBondContact O-CB 3.43Å; F278-A282 PolarHBondContact O-N 2.95Å; A282-L285 PolarHBondContact O-N 2.97Å; A282-V286 WeakPolarHBondContact O-CB 3.41Å; A282-V286 VanDerWaalsContact O-CG2 3.26Å; A282-V286 WeakPolarHBondContact O-CG2 3.35Å; A282-V286 PolarHBondContact O-N 3.2Å
283	A	88.9	Confident	89.7	Confident	70 Å²	70	63.5 Å²	63.5	58%	0.579	32%	0.323	S	S	*	.	H	α-helix	trans	-62	-48.5	-177.1	0	0	0	0	0	112.4	L285 V286 K287	A283-L285 VanDerWaalsContact C-N 3.32Å; A283-L285 PolarHBondContact O-N 3.31Å; A283-V286 PolarHBondContact O-N 2.98Å; A283-K287 WeakPolarHBondContact O-CB 3.4Å; A283-K287 PolarHBondContact O-N 3.46Å
284	P	91.7	Very high	90.2	Very high	67 Å²	67	60 Å²	60	44%	0.435	31%	0.312	S	S	.	.	H	α-helix	trans	-59.1	-40.2	172.5	-25	34	0	0	0	113.5	V224 N281 Y288	V224-P284 HydrophobicContact CG2-CB 3.84Å; N281-P284 WeakPolarHBondContact O-CD 3.44Å; P284-Y288 WeakPolarHBondContact O-CB 3.36Å; P284-Y288 PolarHBondContact O-N 2.7Å
285	L	93.7	Very high	90.7	Very high	6 Å²	6	59.4 Å²	59.4	3%	0.031	31%	0.311	C	S	.	.	H	α-helix	trans	-68.7	-43.2	-178.9	-178.2	60.8	0	0	0	113.1	I138 P221 D223 V224 A227 N281 A282 A283 Y288 F289	I138-L285 HydrophobicContact CD1-CD2 4.45Å; P221-L285 HydrophobicContact CB-CD1 4.48Å; P221-L285 HydrophobicContact CG-CD1 4.05Å; P221-L285 HydrophobicContact CG-CD2 4.27Å; P221-L285 WeakPolarHBondContact O-CD2 3.34Å; D223-L285 WeakPolarHBondContact O-CD1 3.29Å; V224-L285 HydrophobicContact CG2-CB 4.39Å; A227-L285 HydrophobicContact CB-CD1 3.86Å; N281-L285 VanDerWaalsContact O-CB 3.26Å; N281-L285 WeakPolarHBondContact O-CB 3.29Å; N281-L285 PolarHBondContact O-N 3.38Å; A282-L285 PolarHBondContact O-N 2.97Å; A283-L285 VanDerWaalsContact C-N 3.32Å; A283-L285 PolarHBondContact O-N 3.31Å; L285-Y288 WeakPolarHBondContact O-CB 3.44Å; L285-Y288 PolarHBondContact O-N 2.96Å; L285-F289 HydrophobicContact CD1-CD2 3.94Å; L285-F289 HydrophobicContact CD1-CE2 3.55Å; L285-F289 HydrophobicContact CD1-CZ 4.5Å; L285-F289 HydrophobicContact CG-CD2 4.28Å; L285-F289 HydrophobicContact CG-CE2 4.18Å; L285-F289 WeakPolarHBondContact O-CD2 3.48Å; L285-F289 PolarHBondContact O-N 2.87Å
286	V	92.8	Very high	91.2	Very high	21 Å²	21	61.1 Å²	61.1	13%	0.127	32%	0.319	C	S	.	.	H	α-helix	trans	-63.1	-47.6	175.8	169.3	0	0	0	0	109.4	I138 F242 A282 A283 Y288 F289 Q290 I295	I138-V286 HydrophobicContact CD1-CG2 4.46Å; F242-V286 HydrophobicContact CD1-CG2 3.97Å; F242-V286 HydrophobicContact CD2-CG2 3.86Å; F242-V286 HydrophobicContact CE1-CG2 3.88Å; F242-V286 HydrophobicContact CE2-CG2 3.74Å; F242-V286 HydrophobicContact CG-CG2 3.98Å; F242-V286 HydrophobicContact CZ-CG2 3.76Å; A282-V286 WeakPolarHBondContact O-CB 3.41Å; A282-V286 VanDerWaalsContact O-CG2 3.26Å; A282-V286 WeakPolarHBondContact O-CG2 3.35Å; A282-V286 PolarHBondContact O-N 3.2Å; A283-V286 PolarHBondContact O-N 2.98Å; V286-Y288 VanDerWaalsContact C-N 3.3Å; V286-Y288 PolarHBondContact O-N 3Å; V286-F289 PolarHBondContact O-N 3.24Å; V286-Q290 VanDerWaalsContact O-CB 3.23Å; V286-Q290 WeakPolarHBondContact O-CB 3.5Å; V286-Q290 PolarHBondContact O-N 3.35Å; V286-I295 HydrophobicContact CB-CD1 4.26Å; V286-I295 HydrophobicContact CG1-CD1 4.04Å; V286-I295 HydrophobicContact CG2-CD1 4.17Å
287	K	91.1	Very high	91.6	Very high	126 Å²	126	59.6 Å²	59.6	55%	0.548	32%	0.317	S	S	.	.	H	α-helix	trans	-56.7	-44.8	176.2	-175.8	172.6	-178.4	170.8	0	111.8	A283 F289 Q290 E291	A283-K287 WeakPolarHBondContact O-CB 3.4Å; A283-K287 PolarHBondContact O-N 3.46Å; K287-F289 PolarHBondContact O-N 2.93Å; K287-Q290 PolarHBondContact O-N 3.1Å; K287-E291 WeakPolarHBondContact CE-OE1 3.4Å; K287-E291 HydrophobicContact CG-CG 4.43Å; K287-E291 WeakPolarHBondContact O-CG 3.36Å; K287-E291 PolarHBondContact O-N 3.46Å
288	Y	93.6	Very high	92	Very high	30 Å²	30	59.1 Å²	59.1	12%	0.118	31%	0.313	C	S	.	.	H	α-helix	trans	-55.7	-49.2	177.3	170.2	-96.7	0	0	0	112.7	V224 A227 L228 E231 P284 L285 V286 K292	V224-Y288 HydrophobicContact CG1-CD2 4.03Å; V224-Y288 HydrophobicContact CG1-CG 4.19Å; A227-Y288 HydrophobicContact CB-CD1 4.15Å; A227-Y288 HydrophobicContact CB-CE1 3.8Å; L228-Y288 HydrophobicContact CD2-CE2 3.8Å; L228-Y288 WeakPolarHBondContact CD2-OH 3.34Å; L228-Y288 HydrophobicContact CG-CE2 4.33Å; E231-Y288 WeakPolarHBondContact OE1-CE1 3.35Å; E231-Y288 PolarHBondContact OE1-OH 3.34Å; E231-Y288 PolarHBondContact OE2-OH 3.26Å; P284-Y288 WeakPolarHBondContact O-CB 3.36Å; P284-Y288 PolarHBondContact O-N 2.7Å; L285-Y288 WeakPolarHBondContact O-CB 3.44Å; L285-Y288 PolarHBondContact O-N 2.96Å; V286-Y288 VanDerWaalsContact C-N 3.3Å; V286-Y288 PolarHBondContact O-N 3Å; Y288-K292 HydrophobicContact CE1-CD 4.44Å; Y288-K292 VanDerWaalsContact OH-CE 3.32Å; Y288-K292 WeakPolarHBondContact OH-CE 3.39Å; Y288-K292 PolarHBondContact OH-NZ 2.87Å
289	F	95.1	Very high	92.2	Very high	1 Å²	1	60.6 Å²	60.6	0%	0.004	32%	0.323	C	S	.	.	H	α-helix	trans	-77.9	-23.3	178.7	-71.2	-63	0	0	0	113.9	L136 P221 A227 P237 V240 L285 V286 K287 K292 G293 L294 I295	L136-F289 HydrophobicContact CD1-CZ 4.3Å; P221-F289 HydrophobicContact CG-CE2 3.72Å; P221-F289 HydrophobicContact CG-CZ 3.89Å; A227-F289 HydrophobicContact CB-CE1 4.48Å; A227-F289 HydrophobicContact CB-CE2 4.06Å; A227-F289 HydrophobicContact CB-CZ 3.67Å; P237-F289 HydrophobicContact CG-CE1 4.13Å; V240-F289 HydrophobicContact CB-CD2 4.48Å; V240-F289 HydrophobicContact CB-CG 4.37Å; V240-F289 HydrophobicContact CG1-CD2 4.01Å; V240-F289 HydrophobicContact CG1-CE2 4.28Å; V240-F289 HydrophobicContact CG1-CG 4.38Å; V240-F289 HydrophobicContact CG2-CB 4.48Å; V240-F289 HydrophobicContact CG2-CD1 3.72Å; V240-F289 HydrophobicContact CG2-CD2 4.12Å; V240-F289 HydrophobicContact CG2-CE1 3.8Å; V240-F289 HydrophobicContact CG2-CE2 4.18Å; V240-F289 HydrophobicContact CG2-CG 3.88Å; V240-F289 HydrophobicContact CG2-CZ 4.02Å; L285-F289 HydrophobicContact CD1-CD2 3.94Å; L285-F289 HydrophobicContact CD1-CE2 3.55Å; L285-F289 HydrophobicContact CD1-CZ 4.5Å; L285-F289 HydrophobicContact CG-CD2 4.28Å; L285-F289 HydrophobicContact CG-CE2 4.18Å; L285-F289 WeakPolarHBondContact O-CD2 3.48Å; L285-F289 PolarHBondContact O-N 2.87Å; V286-F289 PolarHBondContact O-N 3.24Å; K287-F289 PolarHBondContact O-N 2.93Å; F289-K292 PolarHBondContact O-N 3.24Å; F289-G293 PolarHBondContact O-N 2.78Å; F289-L294 HydrophobicContact CD1-CB 4.41Å; F289-L294 HydrophobicContact CD1-CD1 4.49Å; F289-L294 PolarHBondContact O-N 2.91Å; F289-I295 HydrophobicContact CB-CB 3.74Å; F289-I295 HydrophobicContact CB-CD1 4.09Å; F289-I295 HydrophobicContact CB-CG1 4.46Å; F289-I295 HydrophobicContact CB-CG2 4.22Å
290	Q	93.6	Very high	92.6	Very high	126 Å²	126	55.2 Å²	55.2	59%	0.589	30%	0.3	S	S	*	.	H	α-helix	trans	-68.8	-45.4	174.2	-171.6	175.2	-6.9	0	0	111.2	V286 K287 K292 G293 I295	V286-Q290 VanDerWaalsContact O-CB 3.23Å; V286-Q290 WeakPolarHBondContact O-CB 3.5Å; V286-Q290 PolarHBondContact O-N 3.35Å; K287-Q290 PolarHBondContact O-N 3.1Å; Q290-K292 PolarHBondContact O-N 3.34Å; Q290-G293 PolarHBondContact O-N 2.83Å; Q290-I295 VanDerWaalsContact CA-CG2 3.45Å; Q290-I295 HydrophobicContact CB-CG2 3.82Å; Q290-I295 HydrophobicContact CG-CG2 4.43Å
291	E	91.8	Very high	92.7	Very high	119 Å²	119	51.7 Å²	51.7	56%	0.556	29%	0.285	S	S	*	.	H	α-helix	trans	-59	-28.6	174.1	-73.1	177.2	-176.9	0	0	112.1	K287	K287-E291 WeakPolarHBondContact CE-OE1 3.4Å; K287-E291 HydrophobicContact CG-CG 4.43Å; K287-E291 WeakPolarHBondContact O-CG 3.36Å; K287-E291 PolarHBondContact O-N 3.46Å
292	K	91.1	Very high	92.8	Very high	81 Å²	81	54 Å²	54	35%	0.352	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-7.1	175.1	-67	-167	175.2	-160.6	0	114.9	E231 Y288 F289 Q290 L294	E231-K292 IonicContact OE1-NZ 2.75Å; E231-K292 PolarHBondContact OE1-NZ 3.32Å; E231-K292 IonicContact OE2-NZ 3.54Å; E231-K292 PolarHBondContact OE2-NZ 3.39Å; Y288-K292 HydrophobicContact CE1-CD 4.44Å; Y288-K292 VanDerWaalsContact OH-CE 3.32Å; Y288-K292 WeakPolarHBondContact OH-CE 3.39Å; Y288-K292 PolarHBondContact OH-NZ 2.87Å; F289-K292 PolarHBondContact O-N 3.24Å; Q290-K292 PolarHBondContact O-N 3.34Å; K292-L294 HydrophobicContact CB-CD1 4.02Å; K292-L294 HydrophobicContact CB-CG 3.97Å; K292-L294 HydrophobicContact CD-CD1 4.24Å; K292-L294 PolarHBondContact O-N 2.81Å
293	G	92.4	Very high	93	Very high	49 Å²	49	57.6 Å²	57.6	51%	0.505	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.4	20.5	-175.2	0	0	0	0	0	114.3	F289 Q290 K318	F289-G293 PolarHBondContact O-N 2.78Å; Q290-G293 PolarHBondContact O-N 2.83Å; G293-K318 PolarHBondContact O-NZ 2.83Å
294	L	93.3	Very high	93.1	Very high	35 Å²	35	58.4 Å²	58.4	18%	0.183	30%	0.3	C	S	.	.			trans	-95.1	-19.3	-176.6	-65.9	177.3	0	0	0	113.1	P237 L239 V240 F289 K292	P237-L294 HydrophobicContact CG-CD1 4.42Å; L239-L294 WeakPolarHBondContact CD1-O 3.48Å; V240-L294 HydrophobicContact CG2-CB 4.49Å; V240-L294 PolarHBondContact N-O 3.28Å; F289-L294 HydrophobicContact CD1-CB 4.41Å; F289-L294 HydrophobicContact CD1-CD1 4.49Å; F289-L294 PolarHBondContact O-N 2.91Å; K292-L294 HydrophobicContact CB-CD1 4.02Å; K292-L294 HydrophobicContact CB-CG 3.97Å; K292-L294 HydrophobicContact CD-CD1 4.24Å; K292-L294 PolarHBondContact O-N 2.81Å
295	I	96.6	Very high	93.1	Very high	21 Å²	21	60 Å²	60	11%	0.108	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	147.1	-174.4	-164	162.3	0	0	0	113.8	I138 V240 F242 V286 F289 Q290	I138-I295 HydrophobicContact CD1-CD1 3.88Å; V240-I295 HydrophobicContact CB-CB 4.24Å; V240-I295 HydrophobicContact CB-CG1 4.23Å; V240-I295 HydrophobicContact CG1-CD1 4.23Å; V240-I295 HydrophobicContact CG1-CG1 4.09Å; V240-I295 CarbonylContact O-C 3.52Å; V240-I295 VanDerWaalsContact O-CA 3.25Å; V240-I295 WeakPolarHBondContact O-CA 3.3Å; F242-I295 HydrophobicContact CB-CD1 3.8Å; F242-I295 HydrophobicContact CB-CG1 3.94Å; F242-I295 HydrophobicContact CG-CD1 4.42Å; V286-I295 HydrophobicContact CB-CD1 4.26Å; V286-I295 HydrophobicContact CG1-CD1 4.04Å; V286-I295 HydrophobicContact CG2-CD1 4.17Å; F289-I295 HydrophobicContact CB-CB 3.74Å; F289-I295 HydrophobicContact CB-CD1 4.09Å; F289-I295 HydrophobicContact CB-CG1 4.46Å; F289-I295 HydrophobicContact CB-CG2 4.22Å; Q290-I295 VanDerWaalsContact CA-CG2 3.45Å; Q290-I295 HydrophobicContact CB-CG2 3.82Å; Q290-I295 HydrophobicContact CG-CG2 4.43Å
296	M	95.8	Very high	93	Very high	46 Å²	46	64.3 Å²	64.3	23%	0.227	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	134.5	165.7	-64.4	-165	-71.9	0	0	109.7	L239 V240 F242 F298 A314 K318	L239-M296 HydrophobicContact CD1-CB 4.36Å; L239-M296 HydrophobicContact CD1-CE 3.35Å; L239-M296 HydrophobicContact CD1-CG 3.99Å; L239-M296 HydrophobicContact CD1-SD 4.43Å; L239-M296 HydrophobicContact CD2-CE 3.6Å; L239-M296 HydrophobicContact CG-CE 4.13Å; V240-M296 PolarHBondContact O-N 3.11Å; F242-M296 PolarHBondContact N-O 3.42Å; M296-F298 HydrophobicContact CB-CE2 3.67Å; M296-F298 HydrophobicContact CB-CZ 3.9Å; M296-A314 HydrophobicContact CE-CB 3.26Å; M296-A314 WeakPolarHBondContact CE-O 3.33Å; M296-A314 HydrophobicContact SD-CB 3.74Å; M296-K318 HydrophobicContact CE-CB 4.3Å; M296-K318 HydrophobicContact CE-CD 4.07Å; M296-K318 HydrophobicContact SD-CD 4.35Å
297	T	95.8	Very high	93.1	Very high	82 Å²	82	63.4 Å²	63.4	50%	0.503	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	134.3	-173.4	-60.7	0	0	0	0	110.8	F242 A244	F242-T297 HydrophobicContact CD1-CG2 3.67Å; F242-T297 HydrophobicContact CE1-CG2 4.24Å; F242-T297 CarbonylContact O-C 3.6Å; F242-T297 WeakPolarHBondContact O-CA 3.43Å; A244-T297 HydrophobicContact CB-CG2 3.91Å
298	F	95.4	Very high	93.3	Very high	23 Å²	23	58.9 Å²	58.9	10%	0.101	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	138.5	179.7	-56.9	-89.3	0	0	0	110.3	V241 F242 L243 A244 M296 A300 V307 D310 I311 A314	V241-F298 HydrophobicContact CG1-CD2 3.8Å; V241-F298 HydrophobicContact CG1-CE2 3.92Å; F242-F298 PolarHBondContact O-N 3.5Å; L243-F298 HydrophobicContact CD2-CB 4.3Å; A244-F298 PolarHBondContact N-O 2.95Å; M296-F298 HydrophobicContact CB-CE2 3.67Å; M296-F298 HydrophobicContact CB-CZ 3.9Å; F298-A300 PolarHBondContact O-N 3.19Å; F298-V307 HydrophobicContact CB-CG1 4.43Å; F298-D310 HydrophobicContact CD1-CB 3.87Å; F298-D310 HydrophobicContact CE1-CB 4.01Å; F298-I311 HydrophobicContact CB-CG1 4.41Å; F298-I311 HydrophobicContact CD1-CG1 3.85Å; F298-I311 HydrophobicContact CD2-CG1 3.75Å; F298-I311 HydrophobicContact CE1-CG1 4.02Å; F298-I311 HydrophobicContact CE2-CG1 3.93Å; F298-I311 HydrophobicContact CG-CG1 3.71Å; F298-I311 HydrophobicContact CZ-CG1 4.07Å; F298-A314 HydrophobicContact CE1-CB 4.03Å; F298-A314 HydrophobicContact CZ-CB 3.54Å
299	D	92.7	Very high	93.4	Very high	77 Å²	77	64.2 Å²	64.2	41%	0.412	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	102.1	174.8	177.5	13	0	0	0	110.7	D301 V307	D299-D301 VanDerWaalsContact C-N 3.28Å; D299-D301 PolarHBondContact O-N 3.04Å; D299-D301 VanDerWaalsContact OD1-CB 3.29Å; D299-D301 WeakPolarHBondContact OD1-CB 3.46Å; D299-D301 PolarHBondContact OD1-N 2.89Å; D299-V307 WeakPolarHBondContact O-CG2 3.44Å
300	A	93.4	Very high	93.3	Very high	5 Å²	5	66.7 Å²	66.7	4%	0.041	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86	8.2	179.3	0	0	0	0	0	113.9	S143 L243 A244 C245 R253 F298 R302	S143-A300 WeakPolarHBondContact O-CB 3.27Å; L243-A300 HydrophobicContact CB-CB 3.92Å; L243-A300 HydrophobicContact CD2-CB 4.44Å; A244-A300 WeakPolarHBondContact O-CA 3.46Å; A244-A300 WeakPolarHBondContact O-CB 3.2Å; A244-A300 PolarHBondContact O-N 2.72Å; C245-A300 HydrophobicContact CB-CB 4.17Å; R253-A300 PolarHBondContact NH1-O 3.19Å; R253-A300 PolarHBondContact NH2-O 3.48Å; F298-A300 PolarHBondContact O-N 3.19Å; A300-R302 VanDerWaalsContact C-N 3.32Å
301	D	89.8	Confident	93.4	Very high	43 Å²	43	60.7 Å²	60.7	23%	0.23	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-19.4	166.8	-67.6	-37.4	0	0	0	112.1	C245 A246 R249 D299	C245-D301 PolarHBondContact SG-OD1 2.8Å; A246-D301 VanDerWaalsContact CB-OD2 3.24Å; A246-D301 WeakPolarHBondContact CB-OD2 3.37Å; A246-D301 PolarHBondContact N-OD1 2.85Å; A246-D301 PolarHBondContact N-OD2 3.44Å; R249-D301 WeakPolarHBondContact CB-OD1 3.33Å; R249-D301 VanDerWaalsContact CD-OD1 3.22Å; R249-D301 WeakPolarHBondContact CD-OD1 3.38Å; R249-D301 WeakPolarHBondContact CG-OD1 3.34Å; R249-D301 PolarHBondContact NE-O 3.24Å; R249-D301 IonicContact NE-OD1 2.63Å; R249-D301 PolarHBondContact NH2-O 2.96Å; D299-D301 VanDerWaalsContact C-N 3.28Å; D299-D301 PolarHBondContact O-N 3.04Å; D299-D301 VanDerWaalsContact OD1-CB 3.29Å; D299-D301 WeakPolarHBondContact OD1-CB 3.46Å; D299-D301 PolarHBondContact OD1-N 2.89Å
302	R	92.1	Very high	93.5	Very high	93 Å²	93	55 Å²	55	35%	0.351	28%	0.28	S	S	.	.	S	Bend	trans	-69.9	-179.5	174.4	-67.8	172.1	61.5	-161.6	-2.1	113.4	A300 E306 V307 D310	A300-R302 VanDerWaalsContact C-N 3.32Å; R302-E306 IonicContact CZ-OE2 3.91Å; R302-E306 IonicContact NE-OE2 3.89Å; R302-E306 PolarHBondContact NE-OE2 2.78Å; R302-E306 IonicContact NH2-OE2 3.61Å; R302-E306 PolarHBondContact NH2-OE2 3.01Å; R302-V307 HydrophobicContact CB-CG2 3.83Å; R302-D310 IonicContact CZ-OD2 2.85Å; R302-D310 IonicContact NH1-OD2 3.56Å; R302-D310 PolarHBondContact NH1-OD2 2.88Å; R302-D310 IonicContact NH2-OD2 2.83Å
303	D	92	Very high	93.6	Very high	89 Å²	89	54.5 Å²	54.5	48%	0.476	28%	0.279	S	S	.	.			trans	-63	146.4	173.3	-174.6	-95.2	0	0	0	111.6	D305 E306 V307	D303-D305 VanDerWaalsContact C-N 3.33Å; D303-D305 PolarHBondContact O-N 3.45Å; D303-D305 PolarHBondContact OD1-N 3.11Å; D303-E306 HydrophobicContact CB-CB 4.37Å; D303-E306 HydrophobicContact CB-CG 4.19Å; D303-E306 PolarHBondContact O-N 2.83Å; D303-V307 VanDerWaalsContact O-CG2 3.22Å; D303-V307 WeakPolarHBondContact O-CG2 3.21Å; D303-V307 PolarHBondContact O-N 3.49Å; D303-V307 VanDerWaalsContact O-N 3.09Å
304	E	90.6	Very high	93.6	Very high	86 Å²	86	52.8 Å²	52.8	40%	0.402	26%	0.261	S	S	.	.	H	α-helix	trans	-63.2	-37.9	-174.2	-171	-174.5	116	0	0	113.2	T147 Q148 K151 F308	T147-E304 HydrophobicContact CG2-CG 4.28Å; T147-E304 WeakPolarHBondContact CG2-OE1 3.44Å; T147-E304 WeakPolarHBondContact CG2-OE2 3.49Å; Q148-E304 PolarHBondContact NE2-O 3.44Å; K151-E304 WeakPolarHBondContact CE-OE1 3.15Å; K151-E304 IonicContact NZ-OE1 2.79Å; K151-E304 PolarHBondContact NZ-OE1 3.21Å; E304-F308 WeakPolarHBondContact O-CB 3.47Å; E304-F308 PolarHBondContact O-N 3.01Å
305	D	92.3	Very high	93.6	Very high	102 Å²	102	51.1 Å²	51.1	55%	0.545	25%	0.252	S	S	.	.	H	α-helix	trans	-77.2	-37	-177.2	-69.4	-34.6	0	0	0	111.4	K151 D303 F308 Y309	K151-D305 IonicContact NZ-OD1 2.76Å; K151-D305 PolarHBondContact NZ-OD1 2.82Å; D303-D305 VanDerWaalsContact C-N 3.33Å; D303-D305 PolarHBondContact O-N 3.45Å; D303-D305 PolarHBondContact OD1-N 3.11Å; D305-F308 PolarHBondContact O-N 2.85Å; D305-Y309 WeakPolarHBondContact O-CB 3.33Å; D305-Y309 PolarHBondContact O-N 2.75Å
306	E	92.5	Very high	93.4	Very high	95 Å²	95	52.1 Å²	52.1	44%	0.444	26%	0.257	S	S	.	.	H	α-helix	trans	-60.8	-46.5	171.8	-72.2	-174.2	-164.6	0	0	112	R302 D303 F308 Y309 D310	R302-E306 IonicContact CZ-OE2 3.91Å; R302-E306 IonicContact NE-OE2 3.89Å; R302-E306 PolarHBondContact NE-OE2 2.78Å; R302-E306 IonicContact NH2-OE2 3.61Å; R302-E306 PolarHBondContact NH2-OE2 3.01Å; D303-E306 HydrophobicContact CB-CB 4.37Å; D303-E306 HydrophobicContact CB-CG 4.19Å; D303-E306 PolarHBondContact O-N 2.83Å; E306-F308 VanDerWaalsContact C-N 3.27Å; E306-F308 PolarHBondContact O-N 2.81Å; E306-Y309 WeakPolarHBondContact O-CB 3.37Å; E306-Y309 PolarHBondContact O-N 2.98Å; E306-D310 PolarHBondContact O-N 3.4Å; E306-D310 VanDerWaalsContact O-N 3.11Å
307	V	94.1	Very high	93.1	Very high	3 Å²	3	55.7 Å²	55.7	2%	0.018	28%	0.277	C	S	.	.	H	α-helix	trans	-62.1	-40	177.2	173.4	0	0	0	0	110.5	L243 F298 D299 R302 D303 D310 I311	L243-V307 HydrophobicContact CD2-CG1 4.24Å; F298-V307 HydrophobicContact CB-CG1 4.43Å; D299-V307 WeakPolarHBondContact O-CG2 3.44Å; R302-V307 HydrophobicContact CB-CG2 3.83Å; D303-V307 VanDerWaalsContact O-CG2 3.22Å; D303-V307 WeakPolarHBondContact O-CG2 3.21Å; D303-V307 PolarHBondContact O-N 3.49Å; D303-V307 VanDerWaalsContact O-N 3.09Å; V307-D310 PolarHBondContact O-N 2.92Å; V307-I311 HydrophobicContact CG1-CD1 3.73Å; V307-I311 HydrophobicContact CG1-CG1 4.44Å; V307-I311 WeakPolarHBondContact O-CD1 3.3Å; V307-I311 WeakPolarHBondContact O-CG1 3.44Å; V307-I311 PolarHBondContact O-N 3.45Å
308	F	96.4	Very high	92.9	Very high	31 Å²	31	55.4 Å²	55.4	14%	0.136	27%	0.269	C	S	.	.	H	α-helix	trans	-66.7	-37.8	177.7	-178.2	-117.6	0	0	0	112.6	Q148 K151 I152 R155 E304 D305 E306 I311 S312	Q148-F308 VanDerWaalsContact OE1-CB 3.26Å; K151-F308 VanDerWaalsContact C-CE2 3.44Å; K151-F308 HydrophobicContact CB-CD1 4.27Å; K151-F308 HydrophobicContact CB-CD2 3.49Å; K151-F308 VanDerWaalsContact CB-CD2 3.49Å; K151-F308 HydrophobicContact CB-CE1 4.07Å; K151-F308 HydrophobicContact CB-CE2 3.28Å; K151-F308 HydrophobicContact CB-CG 4Å; K151-F308 HydrophobicContact CB-CZ 3.59Å; K151-F308 HydrophobicContact CD-CB 4.03Å; K151-F308 HydrophobicContact CD-CD1 3.94Å; K151-F308 HydrophobicContact CD-CD2 4Å; K151-F308 HydrophobicContact CD-CE1 4.44Å; K151-F308 HydrophobicContact CD-CG 3.69Å; K151-F308 HydrophobicContact CG-CD2 4.4Å; K151-F308 WeakPolarHBondContact O-CZ 3.07Å; I152-F308 HydrophobicContact CG1-CE2 4.05Å; R155-F308 HydrophobicContact CB-CZ 3.98Å; E304-F308 WeakPolarHBondContact O-CB 3.47Å; E304-F308 PolarHBondContact O-N 3.01Å; D305-F308 PolarHBondContact O-N 2.85Å; E306-F308 VanDerWaalsContact C-N 3.27Å; E306-F308 PolarHBondContact O-N 2.81Å; F308-I311 PolarHBondContact O-N 3.4Å; F308-S312 WeakPolarHBondContact CZ-OG 3.42Å; F308-S312 VanDerWaalsContact O-CB 3.3Å; F308-S312 WeakPolarHBondContact O-CB 3.4Å; F308-S312 PolarHBondContact O-N 2.76Å; F308-S312 PolarHBondContact O-OG 3.31Å
309	Y	93.8	Very high	92.6	Very high	142 Å²	142	55.1 Å²	55.1	56%	0.557	27%	0.268	S	S	*	.	H	α-helix	trans	-59.4	-49.1	175.1	178.1	-94.6	0	0	0	111.1	D305 E306 I311 S312 M313	D305-Y309 WeakPolarHBondContact O-CB 3.33Å; D305-Y309 PolarHBondContact O-N 2.75Å; E306-Y309 WeakPolarHBondContact O-CB 3.37Å; E306-Y309 PolarHBondContact O-N 2.98Å; Y309-I311 PolarHBondContact O-N 3.18Å; Y309-S312 WeakPolarHBondContact O-CB 3.49Å; Y309-S312 PolarHBondContact O-N 2.93Å; Y309-M313 HydrophobicContact CD1-CG 4.42Å; Y309-M313 HydrophobicContact CE1-CG 4.01Å; Y309-M313 WeakPolarHBondContact O-CG 3.49Å; Y309-M313 PolarHBondContact O-N 2.85Å
310	D	93.7	Very high	92.4	Very high	53 Å²	53	53.9 Å²	53.9	28%	0.283	26%	0.26	S	S	.	.	H	α-helix	trans	-62.7	-43.9	178.7	-69.2	-18.4	0	0	0	111.6	F298 R302 E306 V307 S312 M313 A314	F298-D310 HydrophobicContact CD1-CB 3.87Å; F298-D310 HydrophobicContact CE1-CB 4.01Å; R302-D310 IonicContact CZ-OD2 2.85Å; R302-D310 IonicContact NH1-OD2 3.56Å; R302-D310 PolarHBondContact NH1-OD2 2.88Å; R302-D310 IonicContact NH2-OD2 2.83Å; E306-D310 PolarHBondContact O-N 3.4Å; E306-D310 VanDerWaalsContact O-N 3.11Å; V307-D310 PolarHBondContact O-N 2.92Å; D310-S312 VanDerWaalsContact C-N 3.31Å; D310-S312 PolarHBondContact O-N 3.29Å; D310-M313 PolarHBondContact O-N 2.83Å; D310-A314 WeakPolarHBondContact O-CB 3.26Å; D310-A314 PolarHBondContact O-N 2.87Å; D310-A314 VanDerWaalsContact O-N 3.07Å
311	I	95.3	Very high	91.5	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-59.7	-44.8	175	-69.9	165.1	0	0	0	110.5	Q148 I152 V241 L243 F298 V307 F308 Y309 A314 V315	Q148-I311 HydrophobicContact CB-CD1 4.19Å; Q148-I311 HydrophobicContact CG-CD1 4.1Å; I152-I311 HydrophobicContact CD1-CG2 3.72Å; I152-I311 HydrophobicContact CG1-CG2 3.92Å; V241-I311 HydrophobicContact CG1-CD1 4.14Å; V241-I311 HydrophobicContact CG1-CG1 4.17Å; V241-I311 HydrophobicContact CG1-CG2 4.48Å; V241-I311 HydrophobicContact CG2-CG2 4.44Å; L243-I311 HydrophobicContact CD2-CD1 3.82Å; F298-I311 HydrophobicContact CB-CG1 4.41Å; F298-I311 HydrophobicContact CD1-CG1 3.85Å; F298-I311 HydrophobicContact CD2-CG1 3.75Å; F298-I311 HydrophobicContact CE1-CG1 4.02Å; F298-I311 HydrophobicContact CE2-CG1 3.93Å; F298-I311 HydrophobicContact CG-CG1 3.71Å; F298-I311 HydrophobicContact CZ-CG1 4.07Å; V307-I311 HydrophobicContact CG1-CD1 3.73Å; V307-I311 HydrophobicContact CG1-CG1 4.44Å; V307-I311 WeakPolarHBondContact O-CD1 3.3Å; V307-I311 WeakPolarHBondContact O-CG1 3.44Å; V307-I311 PolarHBondContact O-N 3.45Å; F308-I311 PolarHBondContact O-N 3.4Å; Y309-I311 PolarHBondContact O-N 3.18Å; I311-A314 WeakPolarHBondContact O-CB 3.4Å; I311-A314 PolarHBondContact O-N 2.86Å; I311-V315 HydrophobicContact CG2-CG2 4.19Å; I311-V315 VanDerWaalsContact O-CG2 3.28Å; I311-V315 WeakPolarHBondContact O-CG2 3.39Å; I311-V315 PolarHBondContact O-N 3.3Å
312	S	94.6	Very high	89.9	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-61.4	-47.8	-178.7	-65.4	0	0	0	0	111.5	R155 Y156 F308 Y309 D310 A314 V315 D316	R155-S312 WeakPolarHBondContact CD-OG 3.45Å; R155-S312 PolarHBondContact NH1-OG 3.02Å; Y156-S312 PolarHBondContact OH-O 2.88Å; F308-S312 WeakPolarHBondContact CZ-OG 3.42Å; F308-S312 VanDerWaalsContact O-CB 3.3Å; F308-S312 WeakPolarHBondContact O-CB 3.4Å; F308-S312 PolarHBondContact O-N 2.76Å; F308-S312 PolarHBondContact O-OG 3.31Å; Y309-S312 WeakPolarHBondContact O-CB 3.49Å; Y309-S312 PolarHBondContact O-N 2.93Å; D310-S312 VanDerWaalsContact C-N 3.31Å; D310-S312 PolarHBondContact O-N 3.29Å; S312-A314 PolarHBondContact O-N 3.21Å; S312-V315 PolarHBondContact O-N 3.19Å; S312-D316 WeakPolarHBondContact O-CB 3.46Å; S312-D316 PolarHBondContact O-N 3.41Å
313	M	92.4	Very high	87.9	Confident	69 Å²	69	66.5 Å²	66.5	34%	0.34	33%	0.331	S	S	.	.	H	α-helix	trans	-57.6	-40.2	175.7	-70.5	-78.1	80.5	0	0	112.1	Y309 D310 N317	Y309-M313 HydrophobicContact CD1-CG 4.42Å; Y309-M313 HydrophobicContact CE1-CG 4.01Å; Y309-M313 WeakPolarHBondContact O-CG 3.49Å; Y309-M313 PolarHBondContact O-N 2.85Å; D310-M313 PolarHBondContact O-N 2.83Å; M313-N317 WeakPolarHBondContact O-CB 3.49Å; M313-N317 PolarHBondContact O-N 3.48Å; M313-N317 PolarHBondContact O-ND2 3.43Å; M313-N317 VanDerWaalsContact O-ND2 3.13Å
314	A	92	Very high	85.4	Confident	14 Å²	14	71 Å²	71	12%	0.116	35%	0.349	C	S	.	.	H	α-helix	trans	-68.6	-41.6	179.5	0	0	0	0	0	111.9	M296 F298 D310 I311 S312 K318	M296-A314 HydrophobicContact CE-CB 3.26Å; M296-A314 WeakPolarHBondContact CE-O 3.33Å; M296-A314 HydrophobicContact SD-CB 3.74Å; F298-A314 HydrophobicContact CE1-CB 4.03Å; F298-A314 HydrophobicContact CZ-CB 3.54Å; D310-A314 WeakPolarHBondContact O-CB 3.26Å; D310-A314 PolarHBondContact O-N 2.87Å; D310-A314 VanDerWaalsContact O-N 3.07Å; I311-A314 WeakPolarHBondContact O-CB 3.4Å; I311-A314 PolarHBondContact O-N 2.86Å; S312-A314 PolarHBondContact O-N 3.21Å; A314-K318 VanDerWaalsContact O-CB 3.29Å; A314-K318 WeakPolarHBondContact O-CB 3.33Å; A314-K318 PolarHBondContact O-N 2.89Å
315	V	93.5	Very high	82.7	Confident	0 Å²	0	71.8 Å²	71.8	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-63.4	-46.3	174.6	174.6	0	0	0	0	110.7	I135 Y156 L239 I311 S312 N317 K318 L319 F320	I135-V315 HydrophobicContact CD1-CG1 4.05Å; I135-V315 HydrophobicContact CD1-CG2 4.17Å; Y156-V315 HydrophobicContact CD1-CG1 4.43Å; Y156-V315 HydrophobicContact CD2-CG1 4.06Å; Y156-V315 HydrophobicContact CE1-CG1 3.95Å; Y156-V315 HydrophobicContact CE2-CB 3.93Å; Y156-V315 HydrophobicContact CE2-CG1 3.53Å; Y156-V315 HydrophobicContact CE2-CG2 4.42Å; Y156-V315 HydrophobicContact CG-CG1 4.49Å; Y156-V315 VanDerWaalsContact CZ-CG1 3.47Å; L239-V315 HydrophobicContact CD2-CG2 3.75Å; I311-V315 HydrophobicContact CG2-CG2 4.19Å; I311-V315 VanDerWaalsContact O-CG2 3.28Å; I311-V315 WeakPolarHBondContact O-CG2 3.39Å; I311-V315 PolarHBondContact O-N 3.3Å; S312-V315 PolarHBondContact O-N 3.19Å; V315-N317 PolarHBondContact O-N 2.92Å; V315-K318 PolarHBondContact O-N 3.32Å; V315-L319 HydrophobicContact CG1-CD1 3.91Å; V315-L319 HydrophobicContact CG1-CG 4.29Å; V315-L319 WeakPolarHBondContact O-CB 3.18Å; V315-L319 PolarHBondContact O-N 3.15Å; V315-F320 HydrophobicContact CG1-CE2 4.4Å
316	D	93	Very high	79.9	Confident	41 Å²	41	71.2 Å²	71.2	22%	0.219	38%	0.381	C	S	.	.	H	α-helix	trans	-56.7	-51	177.4	-77.5	-36.1	0	0	0	110.7	R155 Y156 S312 K318 F320	R155-D316 IonicContact CZ-OD2 3.41Å; R155-D316 IonicContact NH2-OD2 3.61Å; R155-D316 PolarHBondContact NH2-OD2 2.78Å; Y156-D316 VanDerWaalsContact CE1-OD1 3.28Å; Y156-D316 WeakPolarHBondContact CE1-OD1 3.4Å; Y156-D316 VanDerWaalsContact OH-CG 3.24Å; Y156-D316 PolarHBondContact OH-OD1 3.47Å; Y156-D316 VanDerWaalsContact OH-OD1 3.09Å; Y156-D316 PolarHBondContact OH-OD2 3.08Å; S312-D316 WeakPolarHBondContact O-CB 3.46Å; S312-D316 PolarHBondContact O-N 3.41Å; D316-K318 PolarHBondContact O-N 3.48Å; D316-F320 CarbonylContact O-C 3.43Å; D316-F320 VanDerWaalsContact O-CA 3.29Å; D316-F320 WeakPolarHBondContact O-CA 3.31Å; D316-F320 PolarHBondContact O-N 3.42Å
317	N	90.2	Very high	77.4	Confident	121 Å²	121	71.8 Å²	71.8	65%	0.647	40%	0.401	S	S	*	.	H	α-helix	trans	-63.6	-37.7	-180	-73.2	-28.5	0	0	0	113.4	M313 V315	M313-N317 WeakPolarHBondContact O-CB 3.49Å; M313-N317 PolarHBondContact O-N 3.48Å; M313-N317 PolarHBondContact O-ND2 3.43Å; M313-N317 VanDerWaalsContact O-ND2 3.13Å; V315-N317 PolarHBondContact O-N 2.92Å
318	K	90.3	Very high	74.4	Confident	76 Å²	76	74.8 Å²	74.8	33%	0.33	43%	0.433	S	S	.	.	H	α-helix	trans	-89.1	-37.7	-172.4	-169.9	146.6	175.6	179.2	0	113.4	L239 G293 M296 A314 V315 D316	L239-K318 HydrophobicContact CD1-CD 4.12Å; G293-K318 PolarHBondContact O-NZ 2.83Å; M296-K318 HydrophobicContact CE-CB 4.3Å; M296-K318 HydrophobicContact CE-CD 4.07Å; M296-K318 HydrophobicContact SD-CD 4.35Å; A314-K318 VanDerWaalsContact O-CB 3.29Å; A314-K318 WeakPolarHBondContact O-CB 3.33Å; A314-K318 PolarHBondContact O-N 2.89Å; V315-K318 PolarHBondContact O-N 3.32Å; D316-K318 PolarHBondContact O-N 3.48Å
319	L	90	Very high	71.8	Confident	17 Å²	17	78.9 Å²	78.9	9%	0.089	47%	0.465	C	S	.	.	H	α-helix	trans	-100.3	-24.2	-175.8	-56.2	-170.2	0	0	0	113	I135 F158 D238 L239 V315 P321	I135-L319 HydrophobicContact CD1-CD1 3.71Å; I135-L319 HydrophobicContact CG1-CD1 3.88Å; F158-L319 HydrophobicContact CE2-CD1 4.48Å; D238-L319 HydrophobicContact CB-CD2 3.64Å; L239-L319 HydrophobicContact CB-CD2 4.42Å; V315-L319 HydrophobicContact CG1-CD1 3.91Å; V315-L319 HydrophobicContact CG1-CG 4.29Å; V315-L319 WeakPolarHBondContact O-CB 3.18Å; V315-L319 PolarHBondContact O-N 3.15Å; L319-P321 VanDerWaalsContact C-CD 3.43Å
320	F	89.1	Confident	68.8	Low	52 Å²	52	77.3 Å²	77.3	23%	0.228	48%	0.475	C	S	.	.			trans	-131.6	51.3	-174.8	-53.7	-73.2	0	0	0	113.7	Y156 F158 V315 D316 N322 K323	Y156-F320 HydrophobicContact CD1-CD2 4.33Å; Y156-F320 AromaticContact CD1-CE2 3.64Å; Y156-F320 HydrophobicContact CD1-CE2 3.64Å; Y156-F320 HydrophobicContact CD1-CZ 4.36Å; Y156-F320 HydrophobicContact CE1-CD2 4.15Å; Y156-F320 AromaticContact CE1-CE2 3.88Å; Y156-F320 HydrophobicContact CE1-CE2 3.88Å; Y156-F320 HydrophobicContact CG-CE2 4.49Å; F158-F320 HydrophobicContact CE1-CZ 4.42Å; F158-F320 HydrophobicContact CZ-CE2 4.48Å; F158-F320 AromaticContact CZ-CZ 3.99Å; F158-F320 HydrophobicContact CZ-CZ 3.99Å; V315-F320 HydrophobicContact CG1-CE2 4.4Å; D316-F320 CarbonylContact O-C 3.43Å; D316-F320 VanDerWaalsContact O-CA 3.29Å; D316-F320 WeakPolarHBondContact O-CA 3.31Å; D316-F320 PolarHBondContact O-N 3.42Å; F320-N322 PolarHBondContact O-N 3.13Å; F320-K323 HydrophobicContact CB-CB 4.44Å; F320-K323 PolarHBondContact O-N 3Å
321	P	73.1	Confident	66.3	Low	95 Å²	95	82.6 Å²	82.6	62%	0.617	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-15.1	-174.5	26.3	-35.6	0	0	0	114.8	L319	L319-P321 VanDerWaalsContact C-CD 3.43Å
322	N	57	Low	63.3	Low	160 Å²	160	90 Å²	90	86%	0.856	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.4	6.7	-176.4	-67.8	-17.2	0	0	0	114.2	F320 E324	F320-N322 PolarHBondContact O-N 3.13Å; N322-E324 PolarHBondContact O-N 3.08Å
323	K	50.9	Low	60.3	Low	151 Å²	151	96.2 Å²	96.2	66%	0.657	58%	0.575	S	S	*	*			trans	-80.8	110.3	166.8	-97	-179.1	174.2	174.8	0	107.1	F320 A325	F320-K323 HydrophobicContact CB-CB 4.44Å; F320-K323 PolarHBondContact O-N 3Å; K323-A325 PolarHBondContact O-N 3.46Å
324	E	39.2	Very low	57.3	Low	182 Å²	182	99 Å²	99	85%	0.85	60%	0.598	S	S	*	*			trans	-46.4	132.5	153.9	-83.7	-177.6	158.1	0	0	107.3	N322 A326	N322-E324 PolarHBondContact O-N 3.08Å; E324-A326 VanDerWaalsContact C-N 3.33Å; E324-A326 PolarHBondContact O-N 3.48Å
325	A	34	Very low	54.4	Low	103 Å²	103	101.8 Å²	101.8	85%	0.851	62%	0.617	S	S	*	*			trans	-48.6	98.6	-179.3	0	0	0	0	0	109.4	K323 A327	K323-A325 PolarHBondContact O-N 3.46Å; A325-A327 VanDerWaalsContact C-N 3.25Å; A325-A327 PolarHBondContact O-N 3.08Å
326	A	33.1	Very low	51.4	Low	91 Å²	91	110.1 Å²	110.1	75%	0.752	66%	0.658	S	S	*	*			trans	-72	93	174.8	0	0	0	0	0	105.9	E324 G328	E324-A326 VanDerWaalsContact C-N 3.33Å; E324-A326 PolarHBondContact O-N 3.48Å; A326-G328 PolarHBondContact O-N 3.49Å
327	A	40.3	Very low	48.4	Very low	107 Å²	107	116.1 Å²	116.1	88%	0.884	69%	0.688	S	S	*	*			trans	-53.7	105.8	162.8	0	0	0	0	0	108	A325	A325-A327 VanDerWaalsContact C-N 3.25Å; A325-A327 PolarHBondContact O-N 3.08Å
328	G	30.3	Very low	45.5	Very low	65 Å²	65	118 Å²	118	67%	0.67	70%	0.698	S	S	*	*			trans	-127.1	78.9	172.6	0	0	0	0	0	108.9	A326	A326-G328 PolarHBondContact O-N 3.49Å
329	S	41.3	Very low	42.4	Very low	117 Å²	117	122 Å²	122	82%	0.818	72%	0.723	S	S	*	*			trans	29.4	101	156	62.8	0	0	0	0	118.7
330	S	32.2	Very low	39.5	Very low	110 Å²	110	127.3 Å²	127.3	77%	0.769	76%	0.756	S	S	*	*			trans	-135.8	116.9	131	56.1	0	0	0	0	108.3	L332	S330-L332 PolarHBondContact O-N 2.92Å
331	D	39.7	Very low	36.5	Very low	163 Å²	163	128.3 Å²	128.3	87%	0.872	78%	0.781	S	S	*	*			trans	-59.5	103.8	173.3	-71.1	-50.6	0	0	0	109.7
332	L	33.6	Very low	34.2	Very low	157 Å²	157	132.7 Å²	132.7	82%	0.822	79%	0.793	S	S	*	*			trans	-133.7	113.4	153.2	-76	174.3	0	0	0	108.3	S330	S330-L332 PolarHBondContact O-N 2.92Å
333	D	30.6	Very low	32.8	Very low	129 Å²	129	132.7 Å²	132.7	69%	0.69	79%	0.792	S	S	*	*			trans	-57.7	120.4	-171	-167.4	17.6	0	0	0	112.4	S335	D333-S335 VanDerWaalsContact CG-OG 3.28Å; D333-S335 PolarHBondContact O-N 3.33Å; D333-S335 PolarHBondContact OD2-OG 2.94Å
334	P	30.4	Very low	31.6	Very low	127 Å²	127	132.7 Å²	132.7	83%	0.825	80%	0.797	S	S	*	*			trans	-72.4	21.3	-179.5	-18.1	32	0	0	0	115.5	M336	P334-M336 PolarHBondContact O-N 3.4Å
335	S	30.4	Very low	31	Very low	74 Å²	74	130.4 Å²	130.4	52%	0.517	79%	0.791	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.7	12.1	-165.5	60.8	0	0	0	0	116.2	D333	D333-S335 VanDerWaalsContact CG-OG 3.28Å; D333-S335 PolarHBondContact O-N 3.33Å; D333-S335 PolarHBondContact OD2-OG 2.94Å
336	M	30.1	Very low	30.6	Very low	174 Å²	174	131.8 Å²	131.8	86%	0.857	79%	0.789	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.7	14.6	-170.5	-71.6	-87.2	160.7	0	0	116.8	P334	P334-M336 PolarHBondContact O-N 3.4Å
337	I	31.8	Very low	30.2	Very low	167 Å²	167	130.5 Å²	130.5	86%	0.856	79%	0.785	S	S	*	*			trans	-104.8	87.4	166.4	-57.1	170.9	0	0	0	109.7
338	L	28.1	Very low	29.4	Very low	161 Å²	161	130.4 Å²	130.4	84%	0.843	78%	0.777	S	S	*	*			trans	-160.2	94.8	154.3	-97.3	163.8	0	0	0	106.4
339	D	26.2	Very low	29.1	Very low	161 Å²	161	134.1 Å²	134.1	86%	0.861	78%	0.782	S	S	*	*				-157.4	130.4	124.2	-131.3	-13.8	0	0	0	112.1
340	T	28.4	Very low	28.4	Very low	127 Å²	127	139.2 Å²	139.2	78%	0.779	78%	0.784	S	S	*	*			trans	-93.5	129	176.9	38.8	0	0	0	0	109.5
341	G	25.5	Very low	28.2	Very low	73 Å²	73	142.5 Å²	142.5	75%	0.753	79%	0.788	S	S	*	*			trans	108.7	117.6	148.8	0	0	0	0	0	115.5
342	E	25.6	Very low	27.7	Very low	188 Å²	188	142.3 Å²	142.3	88%	0.879	79%	0.787	S	S	*	*				-155.4	129.9	118.1	-110.8	177.5	-172.5	0	0	110.7
343	I	27.1	Very low	27.3	Very low	160 Å²	160	143.8 Å²	143.8	82%	0.821	79%	0.789	S	S	*	*			trans	-80.2	124.6	173	-66.2	164.2	0	0	0	106.9
344	I	26.7	Very low	27.3	Very low	150 Å²	150	144.3 Å²	144.3	77%	0.769	79%	0.792	S	S	*	*			trans	-132.6	111.9	154	-58.2	-179.7	0	0	0	108.7
345	D	26.1	Very low	27.1	Very low	135 Å²	135	146.7 Å²	146.7	72%	0.722	80%	0.798	S	S	*	*			trans	-78.2	127.3	165.1	169.4	30.6	0	0	0	109.6
346	T	25.5	Very low	27.1	Very low	132 Å²	132	149.4 Å²	149.4	81%	0.81	81%	0.807	S	S	*	*			trans	-151.5	114.3	150.7	47.8	0	0	0	0	108.7
347	G	24.5	Very low	27.1	Very low	64 Å²	64	149.6 Å²	149.6	66%	0.66	81%	0.805	S	S	*	*			trans	-84.1	-162.4	178.7	0	0	0	0	0	116.4
348	S	22.7	Very low	26.9	Very low	104 Å²	104	149.5 Å²	149.5	73%	0.727	81%	0.806	S	S	*	*			trans	90.3	105.7	172.1	81.7	0	0	0	0	118.8
349	D	25	Very low	26.9	Very low	143 Å²	143	149.6 Å²	149.6	77%	0.765	81%	0.807	S	S	*	*				47.3	114.9	124.8	-53.1	-21.5	0	0	0	119.8
350	Y	27.1	Very low	27.2	Very low	224 Å²	224	146.7 Å²	146.7	88%	0.878	80%	0.795	S	S	*	*			trans	-156.1	107	134.8	-81	-65.8	0	0	0	110.7
351	E	27.6	Very low	27.2	Very low	180 Å²	180	149.8 Å²	149.8	84%	0.841	80%	0.798	S	S	*	*			trans	30.7	131.6	138.9	-61.4	-179.5	166.8	0	0	122
352	D	28.9	Very low	27.4	Very low	159 Å²	159	148.8 Å²	148.8	85%	0.85	79%	0.788	S	S	*	*			trans	-44	135.3	158.1	-67.1	-53.8	0	0	0	113.1
353	Q	25.6	Very low	27.8	Very low	187 Å²	187	148.6 Å²	148.6	87%	0.874	79%	0.787	S	S	*	*			trans	-149.7	115.6	143.9	-116.7	165.5	46.8	0	0	110.7
354	D	29.5	Very low	28.1	Very low	141 Å²	141	149 Å²	149	75%	0.754	79%	0.791	S	S	*	*			trans	-19.7	129	166.1	-58.6	-52.2	0	0	0	116.4
355	D	27.4	Very low	28.8	Very low	176 Å²	176	145.3 Å²	145.3	94%	0.941	78%	0.776	S	S	*	*			trans	-140.5	72.7	140.6	-113.2	-10.5	0	0	0	108.2
356	D	29.7	Very low	29.6	Very low	131 Å²	131	144 Å²	144	70%	0.701	77%	0.766	S	S	*	*			trans	-79.9	119.1	170.5	-139.7	3.1	0	0	0	108.5
357	Q	30	Very low	30.5	Very low	178 Å²	178	140.4 Å²	140.4	83%	0.832	76%	0.755	S	S	*	*			trans	152.1	88	141.4	-83	170.4	49.3	0	0	112.9
358	L	27.9	Very low	31.8	Very low	165 Å²	165	139.1 Å²	139.1	86%	0.864	74%	0.742	S	S	*	*				-170.5	51.7	125.5	-105.6	145.4	0	0	0	110.4
359	N	27.9	Very low	33.6	Very low	164 Å²	164	137.6 Å²	137.6	88%	0.877	72%	0.722	S	S	*	*			trans	-91.1	94	158.6	-91.9	-15.1	0	0	0	108
360	V	32.4	Very low	35.2	Very low	100 Å²	100	135.4 Å²	135.4	61%	0.606	71%	0.709	S	S	*	*			trans	-117	112.8	164.2	-167.8	0	0	0	0	106.9
361	F	28.8	Very low	36.8	Very low	191 Å²	191	130.3 Å²	130.3	84%	0.838	69%	0.693	S	S	*	*	S	Bend	trans	86.5	93.7	-179.5	-51.1	-67.5	0	0	0	115.9
362	G	30.4	Very low	38.7	Very low	52 Å²	52	125.4 Å²	125.4	54%	0.536	67%	0.672	S	S	.	*			trans	-68.8	147.2	172.6	0	0	0	0	0	113.5	D364 T365	G362-D364 PolarHBondContact O-N 3.01Å; G362-T365 PolarHBondContact O-OG1 3.31Å
363	E	34	Very low	40.6	Very low	185 Å²	185	118.6 Å²	118.6	86%	0.864	64%	0.636	S	S	*	*	G	3₁₀ helix	trans	-66.5	-19	-179.6	-78.3	177.3	135.7	0	0	114	T365	E363-T365 VanDerWaalsContact C-N 3.26Å; E363-T365 PolarHBondContact O-N 3.08Å
364	D	33.3	Very low	42.5	Very low	168 Å²	168	118.2 Å²	118.2	90%	0.898	63%	0.626	S	S	*	*	G	3₁₀ helix	trans	-75.3	-8.7	-177.6	-73.9	-29.8	0	0	0	114.9	G362	G362-D364 PolarHBondContact O-N 3.01Å
365	T	40.1	Very low	44.5	Very low	73 Å²	73	118.3 Å²	118.3	45%	0.448	62%	0.62	S	S	.	*	G	3₁₀ helix	trans	-92.7	-26.4	-175.6	-11.1	0	0	0	0	112.8	G362 E363 G367 F369	G362-T365 PolarHBondContact O-OG1 3.31Å; E363-T365 VanDerWaalsContact C-N 3.26Å; E363-T365 PolarHBondContact O-N 3.08Å; T365-G367 PolarHBondContact O-N 2.91Å; T365-F369 VanDerWaalsContact C-CE2 3.49Å; T365-F369 HydrophobicContact CG2-CD2 4.43Å; T365-F369 HydrophobicContact CG2-CE1 4.19Å; T365-F369 HydrophobicContact CG2-CE2 3.41Å; T365-F369 VanDerWaalsContact CG2-CE2 3.41Å; T365-F369 HydrophobicContact CG2-CZ 3.24Å; T365-F369 WeakPolarHBondContact O-CD2 3.37Å; T365-F369 WeakPolarHBondContact O-CE2 3.41Å; T365-F369 WeakPolarHBondContact O-CG 3.34Å; T365-F369 PolarHBondContact O-N 3.5Å
366	M	44.2	Very low	47.2	Very low	108 Å²	108	111 Å²	111	53%	0.532	58%	0.582	S	S	.	*	H	α-helix	trans	-70	-27.9	-174.9	-75.2	-72.6	144.2	0	0	114.8	F369 M370	M366-F369 HydrophobicContact CE-CD2 3.91Å; M366-F369 HydrophobicContact CE-CE2 4.13Å; M366-F369 HydrophobicContact SD-CD2 4.14Å; M366-M370 PolarHBondContact O-N 3.35Å
367	G	43.4	Very low	50.1	Low	55 Å²	55	107.4 Å²	107.4	57%	0.567	56%	0.56	S	S	*	*	H	α-helix	trans	-66.4	-44.3	178.3	0	0	0	0	0	113.4	T365	T365-G367 PolarHBondContact O-N 2.91Å
368	G	51.3	Low	53.2	Low	37 Å²	37	99.1 Å²	99.1	38%	0.381	52%	0.522	S	S	.	.	H	α-helix	trans	-70.3	-35.7	176.2	0	0	0	0	0	113	M370 E371 D372	G368-M370 PolarHBondContact O-N 3.4Å; G368-E371 WeakPolarHBondContact O-CB 3.26Å; G368-E371 PolarHBondContact O-N 3.49Å; G368-E371 VanDerWaalsContact O-N 3.1Å; G368-D372 PolarHBondContact O-N 3.35Å; G368-D372 VanDerWaalsContact O-N 3.07Å
369	F	61.4	Low	56.5	Low	72 Å²	72	91.3 Å²	91.3	32%	0.316	48%	0.481	S	S	.	.	H	α-helix	trans	-64.2	-41.2	-179.5	-64.9	-44.7	0	0	0	114	T365 M366 E371 D372 L373	T365-F369 VanDerWaalsContact C-CE2 3.49Å; T365-F369 HydrophobicContact CG2-CD2 4.43Å; T365-F369 HydrophobicContact CG2-CE1 4.19Å; T365-F369 HydrophobicContact CG2-CE2 3.41Å; T365-F369 VanDerWaalsContact CG2-CE2 3.41Å; T365-F369 HydrophobicContact CG2-CZ 3.24Å; T365-F369 WeakPolarHBondContact O-CD2 3.37Å; T365-F369 WeakPolarHBondContact O-CE2 3.41Å; T365-F369 WeakPolarHBondContact O-CG 3.34Å; T365-F369 PolarHBondContact O-N 3.5Å; M366-F369 HydrophobicContact CE-CD2 3.91Å; M366-F369 HydrophobicContact CE-CE2 4.13Å; M366-F369 HydrophobicContact SD-CD2 4.14Å; F369-E371 PolarHBondContact O-N 3.32Å; F369-D372 PolarHBondContact O-N 3.06Å; F369-L373 WeakPolarHBondContact O-CB 3.4Å; F369-L373 PolarHBondContact O-N 3.4Å
370	M	57.6	Low	59.7	Low	98 Å²	98	83.5 Å²	83.5	48%	0.483	44%	0.439	S	S	.	.	H	α-helix	trans	-67.5	-22.1	175.5	-83.6	-167.7	168.7	0	0	112.4	M366 G368 R374	M366-M370 PolarHBondContact O-N 3.35Å; G368-M370 PolarHBondContact O-N 3.4Å; M370-R374 WeakPolarHBondContact O-CB 3.35Å; M370-R374 VanDerWaalsContact O-CG 3.3Å; M370-R374 WeakPolarHBondContact O-CG 3.48Å; M370-R374 PolarHBondContact O-N 3.16Å; M370-R374 PolarHBondContact O-NE 3.27Å
371	E	60.6	Low	62.6	Low	117 Å²	117	78.8 Å²	78.8	55%	0.547	41%	0.411	S	S	.	.	H	α-helix	trans	-80.4	-36.1	176.2	-156.8	167.5	-159.8	0	0	111.6	G368 F369 R374 K375	G368-E371 WeakPolarHBondContact O-CB 3.26Å; G368-E371 PolarHBondContact O-N 3.49Å; G368-E371 VanDerWaalsContact O-N 3.1Å; F369-E371 PolarHBondContact O-N 3.32Å; E371-R374 PolarHBondContact O-N 3.04Å; E371-K375 WeakPolarHBondContact O-CG 3.43Å; E371-K375 PolarHBondContact O-N 3.22Å
372	D	67.4	Low	65.7	Low	76 Å²	76	70.2 Å²	70.2	41%	0.406	37%	0.373	S	S	.	.	H	α-helix	trans	-75.1	-37.3	175.9	-69.8	-24.7	0	0	0	113.1	G368 F369 R374 K375 C376	G368-D372 PolarHBondContact O-N 3.35Å; G368-D372 VanDerWaalsContact O-N 3.07Å; F369-D372 PolarHBondContact O-N 3.06Å; D372-R374 VanDerWaalsContact C-N 3.27Å; D372-R374 PolarHBondContact O-N 2.83Å; D372-K375 WeakPolarHBondContact O-CB 3.44Å; D372-K375 PolarHBondContact O-N 3.3Å; D372-K375 VanDerWaalsContact O-N 3.07Å; D372-K375 IonicContact OD1-NZ 3.92Å; D372-K375 PolarHBondContact OD1-NZ 2.79Å; D372-C376 PolarHBondContact O-N 2.85Å
373	L	68.7	Low	68.6	Low	16 Å²	16	68.3 Å²	68.3	8%	0.084	35%	0.353	C	S	.	.	H	α-helix	trans	-60.5	-36.2	171	-105.3	147.1	0	0	0	112.4	F369 K375 C376 M448 L452 F458 I477	F369-L373 WeakPolarHBondContact O-CB 3.4Å; F369-L373 PolarHBondContact O-N 3.4Å; L373-K375 PolarHBondContact O-N 2.82Å; L373-C376 PolarHBondContact O-N 3.17Å; L373-M448 HydrophobicContact CD2-CE 3.57Å; L373-L452 HydrophobicContact CD1-CD1 3.88Å; L373-L452 HydrophobicContact CG-CD1 4Å; L373-L452 HydrophobicContact CG-CD2 4.05Å; L373-F458 HydrophobicContact CD2-CE2 4.39Å; L373-I477 HydrophobicContact CD2-CG2 3.85Å
374	R	66.8	Low	71.2	Confident	179 Å²	179	59.5 Å²	59.5	68%	0.675	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-20.2	175.6	-84.6	-175.8	-86.9	-177.3	-5.4	113.5	M370 E371 D372	M370-R374 WeakPolarHBondContact O-CB 3.35Å; M370-R374 VanDerWaalsContact O-CG 3.3Å; M370-R374 WeakPolarHBondContact O-CG 3.48Å; M370-R374 PolarHBondContact O-N 3.16Å; M370-R374 PolarHBondContact O-NE 3.27Å; E371-R374 PolarHBondContact O-N 3.04Å; D372-R374 VanDerWaalsContact C-N 3.27Å; D372-R374 PolarHBondContact O-N 2.83Å
375	K	71.7	Confident	73.8	Confident	144 Å²	144	52.2 Å²	52.2	63%	0.626	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-19.6	175.5	-64.5	168.1	-163.3	157.9	0	112.6	E371 D372 L373	E371-K375 WeakPolarHBondContact O-CG 3.43Å; E371-K375 PolarHBondContact O-N 3.22Å; D372-K375 WeakPolarHBondContact O-CB 3.44Å; D372-K375 PolarHBondContact O-N 3.3Å; D372-K375 VanDerWaalsContact O-N 3.07Å; D372-K375 IonicContact OD1-NZ 3.92Å; D372-K375 PolarHBondContact OD1-NZ 2.79Å; L373-K375 PolarHBondContact O-N 2.82Å
376	C	83.8	Confident	76.1	Confident	21 Å²	21	49.9 Å²	49.9	14%	0.142	26%	0.264	C	S	.	.	S	Bend	trans	-85.5	137.9	-179.9	-66.8	0	0	0	0	111.7	D372 L373 F458 H481	D372-C376 PolarHBondContact O-N 2.85Å; L373-C376 PolarHBondContact O-N 3.17Å; C376-F458 HydrophobicContact CB-CD2 4.15Å; C376-F458 HydrophobicContact CB-CE2 3.99Å; C376-H481 PolarHBondContact O-CE1 2.93Å; C376-H481 VanDerWaalsContact O-CE1 3.26Å
377	K	91.2	Very high	78.4	Confident	57 Å²	57	44.8 Å²	44.8	25%	0.248	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	133.4	173.1	-61.6	-69.3	-178.8	161	0	109.6	G457 F458 H481 I561 F562	K377-G457 CarbonylContact O-C 3.57Å; K377-G457 WeakPolarHBondContact O-CA 3.32Å; K377-F458 PolarHBondContact O-N 3.06Å; K377-H481 HydrophobicContact CD-CB 4.46Å; K377-I561 PolarHBondContact NZ-O 3.48Å; K377-F562 HydrophobicContact CB-CZ 4.19Å; K377-F562 HydrophobicContact CG-CE1 3.98Å; K377-F562 HydrophobicContact CG-CE2 4.37Å; K377-F562 HydrophobicContact CG-CZ 3.68Å
378	I	94.6	Very high	80.6	Confident	4 Å²	4	43.4 Å²	43.4	2%	0.021	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	121.4	177.7	-58.9	174.1	0	0	0	108	F380 M448 F458 I460 F473 I477 P480 H481 L482	I378-F380 HydrophobicContact CG2-CD1 4.25Å; I378-F380 HydrophobicContact CG2-CE1 3.89Å; I378-M448 HydrophobicContact CD1-CE 4Å; I378-M448 HydrophobicContact CG1-CE 4.25Å; I378-F458 HydrophobicContact CG1-CD2 4.45Å; I378-I460 HydrophobicContact CG2-CD1 3.9Å; I378-F473 HydrophobicContact CD1-CE1 4.26Å; I378-F473 HydrophobicContact CD1-CZ 4.37Å; I378-F473 HydrophobicContact CG2-CE1 4.02Å; I378-F473 HydrophobicContact CG2-CZ 3.99Å; I378-I477 HydrophobicContact CD1-CG2 4.47Å; I378-P480 HydrophobicContact CG2-CB 4.44Å; I378-H481 PolarHBondContact N-ND1 3.33Å; I378-H481 VanDerWaalsContact N-ND1 3.2Å; I378-H481 PolarHBondContact O-N 3.14Å; I378-L482 PolarHBondContact O-N 2.98Å
379	I	95.8	Very high	82.4	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	124.6	-177.1	-52.6	176.7	0	0	0	109	F402 F458 L459 I460 L482 I484 I558 I561	I379-F402 HydrophobicContact CD1-CE2 3.81Å; I379-F402 HydrophobicContact CD1-CZ 3.94Å; I379-F458 PolarHBondContact N-O 3.27Å; I379-L459 HydrophobicContact CB-CD1 3.9Å; I379-L459 HydrophobicContact CG2-CD1 3.84Å; I379-I460 PolarHBondContact O-N 2.94Å; I379-L482 VanDerWaalsContact CA-O 3.31Å; I379-L482 WeakPolarHBondContact CA-O 3.44Å; I379-L482 HydrophobicContact CG1-CB 4.38Å; I379-L482 HydrophobicContact CG2-CB 4.28Å; I379-L482 HydrophobicContact CG2-CD2 4.27Å; I379-L482 HydrophobicContact CG2-CG 4.28Å; I379-I484 HydrophobicContact CG2-CD1 3.91Å; I379-I484 HydrophobicContact CG2-CG1 4.16Å; I379-I558 HydrophobicContact CD1-CD1 4.48Å; I379-I558 HydrophobicContact CD1-CG1 4.18Å; I379-I558 HydrophobicContact CD1-CG2 4.31Å; I379-I561 HydrophobicContact CD1-CD1 4.02Å; I379-I561 HydrophobicContact CG1-CD1 4.17Å
380	F	95.9	Very high	83.7	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	132	173.6	-68.5	-11.2	0	0	0	111	I378 I460 P464 F473 P480 L482 V483 I484 Y532	I378-F380 HydrophobicContact CG2-CD1 4.25Å; I378-F380 HydrophobicContact CG2-CE1 3.89Å; F380-I460 HydrophobicContact CD1-CB 3.9Å; F380-I460 HydrophobicContact CD1-CD1 4.15Å; F380-I460 HydrophobicContact CD1-CG2 4.28Å; F380-I460 HydrophobicContact CE1-CB 4.21Å; F380-I460 HydrophobicContact CE1-CD1 3.69Å; F380-I460 HydrophobicContact CE1-CG2 4.36Å; F380-P464 VanDerWaalsContact CD2-CD 3.41Å; F380-P464 HydrophobicContact CD2-CG 4.25Å; F380-P464 HydrophobicContact CE2-CG 4.08Å; F380-F473 HydrophobicContact CE1-CD1 4.18Å; F380-F473 AromaticContact CE1-CE1 3.8Å; F380-F473 HydrophobicContact CE1-CE1 3.8Å; F380-F473 HydrophobicContact CE1-CE2 4.26Å; F380-F473 AromaticContact CE1-CZ 3.86Å; F380-F473 HydrophobicContact CE1-CZ 3.86Å; F380-F473 AromaticContact CZ-CD1 3.51Å; F380-F473 HydrophobicContact CZ-CD1 3.51Å; F380-F473 HydrophobicContact CZ-CD2 4.28Å; F380-F473 AromaticContact CZ-CE1 3.59Å; F380-F473 HydrophobicContact CZ-CE1 3.59Å; F380-F473 HydrophobicContact CZ-CE2 4.35Å; F380-F473 AromaticContact CZ-CG 3.88Å; F380-F473 HydrophobicContact CZ-CG 3.88Å; F380-F473 HydrophobicContact CZ-CZ 4.03Å; F380-P480 HydrophobicContact CD1-CB 4.13Å; F380-P480 HydrophobicContact CD2-CB 3.75Å; F380-P480 HydrophobicContact CD2-CG 3.71Å; F380-P480 HydrophobicContact CE1-CB 4.18Å; F380-P480 HydrophobicContact CE2-CB 3.78Å; F380-P480 HydrophobicContact CE2-CG 3.54Å; F380-P480 HydrophobicContact CG-CB 3.95Å; F380-P480 HydrophobicContact CG-CG 4.41Å; F380-P480 HydrophobicContact CZ-CB 4.03Å; F380-P480 HydrophobicContact CZ-CG 4.14Å; F380-L482 PolarHBondContact N-O 3.48Å; F380-V483 HydrophobicContact CB-CG1 4.38Å; F380-V483 HydrophobicContact CB-CG2 4.19Å; F380-V483 HydrophobicContact CD2-CG2 4.18Å; F380-I484 PolarHBondContact O-N 3.41Å; F380-Y532 HydrophobicContact CD2-CE2 4.22Å; F380-Y532 HydrophobicContact CE2-CE2 4.26Å; F380-Y532 AromaticContact CE2-CZ 3.85Å; F380-Y532 WeakPolarHBondContact CE2-OH 3.36Å
381	M	94.4	Very high	85.3	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	107.4	174.4	-67.8	-65.3	-64.6	0	0	109.7	L459 I460 G462 I484 M486 L554	M381-L459 HydrophobicContact CG-CD1 3.36Å; M381-L459 HydrophobicContact CG-CD2 4.29Å; M381-L459 HydrophobicContact CG-CG 3.76Å; M381-L459 HydrophobicContact SD-CD1 3.88Å; M381-I460 PolarHBondContact N-O 3.4Å; M381-G462 PolarHBondContact O-N 3.06Å; M381-I484 HydrophobicContact CE-CB 4.46Å; M381-I484 HydrophobicContact CE-CG2 3.99Å; M381-I484 HydrophobicContact SD-CB 3.61Å; M381-I484 HydrophobicContact SD-CD1 3.79Å; M381-I484 HydrophobicContact SD-CG1 4.18Å; M381-I484 HydrophobicContact SD-CG2 3.77Å; M381-M486 HydrophobicContact CE-CG 4.18Å; M381-M486 HydrophobicContact CE-SD 4.03Å; M381-L554 HydrophobicContact CE-CD2 4.03Å
382	I	92.7	Very high	86.9	Confident	11 Å²	11	35.4 Å²	35.4	6%	0.056	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	127.4	177.7	-57.4	179	0	0	0	108.5	V483 I484 C485 M486 Y521 V528 I529	I382-V483 HydrophobicContact CD1-CG1 3.64Å; I382-V483 HydrophobicContact CG1-CG1 4.23Å; I382-I484 PolarHBondContact N-O 2.95Å; I382-C485 CarbonylContact O-C 3.58Å; I382-C485 WeakPolarHBondContact O-CA 3.23Å; I382-M486 PolarHBondContact O-N 2.64Å; I382-Y521 HydrophobicContact CG2-CE2 4.4Å; I382-V528 HydrophobicContact CD1-CG1 3.7Å; I382-I529 HydrophobicContact CD1-CG1 4.49Å; I382-I529 HydrophobicContact CG2-CD1 4.39Å; I382-I529 HydrophobicContact CG2-CG1 4.38Å
383	G	90.9	Very high	88.1	Confident	11 Å²	11	31.8 Å²	31.8	11%	0.113	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172	148.5	176.5	0	0	0	0	0	112.5	K389	G383-K389 WeakPolarHBondContact O-CD 3.43Å
384	G	89.6	Confident	89.2	Confident	1 Å²	1	37.2 Å²	37.2	1%	0.01	20%	0.195	C	C	.	.			trans	-69.9	168.8	-178.3	0	0	0	0	0	113.4	G386 S387 M493 Y521	G384-G386 PolarHBondContact O-N 2.91Å; G384-S387 VanDerWaalsContact O-CB 3.31Å; G384-S387 WeakPolarHBondContact O-CB 3.26Å; G384-S387 PolarHBondContact O-N 3.4Å; G384-S387 PolarHBondContact O-OG 3.47Å; G384-M493 VanDerWaalsContact CA-SD 3.52Å; G384-Y521 VanDerWaalsContact CA-CD2 3.49Å; G384-Y521 VanDerWaalsContact CA-CE2 3.49Å; G384-Y521 PolarHBondContact N-OH 2.91Å
385	P	88.1	Confident	90.5	Very high	15 Å²	15	31.1 Å²	31.1	10%	0.097	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	126	174.8	30.3	-35.7	0	0	0	109.8	M493 L497 R517 L518	P385-M493 WeakPolarHBondContact O-CB 3.32Å; P385-M493 WeakPolarHBondContact O-CG 3.39Å; P385-M493 VanDerWaalsContact O-SD 3.39Å; P385-L497 HydrophobicContact CB-CD1 3.96Å; P385-L497 HydrophobicContact CB-CD2 4.37Å; P385-L497 HydrophobicContact CG-CD1 4.17Å; P385-R517 HydrophobicContact CG-CB 4.09Å; P385-L518 HydrophobicContact CG-CD2 4.34Å; P385-L518 HydrophobicContact CG-CG 4.44Å
386	G	87.5	Confident	91.6	Very high	23 Å²	23	24.2 Å²	24.2	24%	0.237	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.1	-1.8	-176.6	0	0	0	0	0	115.3	G384 G388 R496	G384-G386 PolarHBondContact O-N 2.91Å; G386-G388 PolarHBondContact O-N 3.23Å; G386-R496 WeakPolarHBondContact O-CD 3.41Å; G386-R496 PolarHBondContact O-NH1 3.06Å
387	S	92.4	Very high	92.1	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.014	15%	0.151	C	C	.	.	S	Bend	trans	-64.7	-18.8	174.6	56.5	0	0	0	0	114.6	G384 M486 R496	G384-S387 VanDerWaalsContact O-CB 3.31Å; G384-S387 WeakPolarHBondContact O-CB 3.26Å; G384-S387 PolarHBondContact O-N 3.4Å; G384-S387 PolarHBondContact O-OG 3.47Å; S387-M486 WeakPolarHBondContact O-CE 2.98Å; S387-R496 PolarHBondContact O-NH1 3.09Å
388	G	89.4	Confident	92.2	Very high	26 Å²	26	30.9 Å²	30.9	27%	0.268	18%	0.177	S	C	.	.	S	Bend	trans	95.2	5.1	-178.2	0	0	0	0	0	114.8	G386 G390 T391 Q392	G386-G388 PolarHBondContact O-N 3.23Å; G388-G390 PolarHBondContact O-N 3.47Å; G388-T391 WeakPolarHBondContact O-CB 3.42Å; G388-T391 PolarHBondContact O-N 2.65Å; G388-T391 VanDerWaalsContact O-N 3.15Å; G388-Q392 PolarHBondContact O-N 2.71Å
389	K	90.5	Very high	92.2	Very high	47 Å²	47	35.3 Å²	35.3	20%	0.204	20%	0.196	C	C	.	.	H	α-helix	trans	-49	-47.3	-179.1	62.8	-173.8	-155.1	-55.2	0	115.6	G383 T391 Q392 C393 D461 M486	G383-K389 WeakPolarHBondContact O-CD 3.43Å; K389-T391 PolarHBondContact O-N 2.87Å; K389-Q392 PolarHBondContact O-N 2.94Å; K389-C393 WeakPolarHBondContact O-CB 3.26Å; K389-C393 PolarHBondContact O-N 3.02Å; K389-C393 PolarHBondContact O-SG 2.8Å; K389-D461 VanDerWaalsContact CD-OD1 3.22Å; K389-D461 WeakPolarHBondContact CD-OD1 3.38Å; K389-D461 WeakPolarHBondContact CE-OD1 3.4Å; K389-M486 WeakPolarHBondContact CA-SD 3.34Å; K389-M486 HydrophobicContact CB-SD 3.56Å; K389-M486 VanDerWaalsContact CB-SD 3.56Å; K389-M486 PolarHBondContact N-SD 2.9Å
390	G	87.8	Confident	92.1	Very high	27 Å²	27	36.5 Å²	36.5	28%	0.278	20%	0.2	S	C	.	.	H	α-helix	trans	-60.9	-46.1	179.3	0	0	0	0	0	112.8	G388 Q392 C393 E394	G388-G390 PolarHBondContact O-N 3.47Å; G390-Q392 VanDerWaalsContact C-N 3.3Å; G390-Q392 PolarHBondContact O-N 3.22Å; G390-C393 WeakPolarHBondContact O-CB 3.47Å; G390-C393 PolarHBondContact O-N 3.43Å; G390-E394 WeakPolarHBondContact O-CG 3.29Å; G390-E394 PolarHBondContact O-N 2.96Å
391	T	90.6	Very high	91.9	Very high	76 Å²	76	37.8 Å²	37.8	47%	0.466	21%	0.214	S	C	.	.	H	α-helix	trans	-61.5	-38.8	176.7	-53.5	0	0	0	0	112	G388 K389 K395	G388-T391 WeakPolarHBondContact O-CB 3.42Å; G388-T391 PolarHBondContact O-N 2.65Å; G388-T391 VanDerWaalsContact O-N 3.15Å; K389-T391 PolarHBondContact O-N 2.87Å; T391-K395 PolarHBondContact O-N 3.38Å
392	Q	94.1	Very high	91.9	Very high	5 Å²	5	38.1 Å²	38.1	2%	0.023	22%	0.216	C	C	.	.	H	α-helix	trans	-72.6	-38.4	177.4	-66.2	-59.9	-17.7	0	0	112.2	G388 K389 G390 E394 K395 L396 M486 P547 V550 F551 L554	G388-Q392 PolarHBondContact O-N 2.71Å; K389-Q392 PolarHBondContact O-N 2.94Å; G390-Q392 VanDerWaalsContact C-N 3.3Å; G390-Q392 PolarHBondContact O-N 3.22Å; Q392-E394 VanDerWaalsContact C-N 3.32Å; Q392-E394 PolarHBondContact O-N 3.12Å; Q392-K395 PolarHBondContact O-N 3.32Å; Q392-L396 WeakPolarHBondContact O-CB 3.45Å; Q392-L396 VanDerWaalsContact O-CG 3.27Å; Q392-L396 WeakPolarHBondContact O-CG 3.4Å; Q392-L396 PolarHBondContact O-N 2.64Å; Q392-M486 HydrophobicContact CG-CE 3.81Å; Q392-M486 HydrophobicContact CG-SD 4.45Å; Q392-P547 PolarHBondContact NE2-O 2.93Å; Q392-V550 HydrophobicContact CG-CG1 4.01Å; Q392-F551 VanDerWaalsContact OE1-CB 3.31Å; Q392-L554 HydrophobicContact CB-CD1 3.51Å; Q392-L554 HydrophobicContact CG-CD1 3.61Å
393	C	93.2	Very high	92	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-57.6	-44.4	173.8	-70.5	0	0	0	0	111.6	K389 G390 K395 L396 V397 L459	K389-C393 WeakPolarHBondContact O-CB 3.26Å; K389-C393 PolarHBondContact O-N 3.02Å; K389-C393 PolarHBondContact O-SG 2.8Å; G390-C393 WeakPolarHBondContact O-CB 3.47Å; G390-C393 PolarHBondContact O-N 3.43Å; C393-K395 PolarHBondContact O-N 3.44Å; C393-L396 PolarHBondContact O-N 3.26Å; C393-V397 VanDerWaalsContact O-CG2 3.28Å; C393-V397 WeakPolarHBondContact O-CG2 3.4Å; C393-V397 PolarHBondContact O-N 3.17Å; C393-L459 HydrophobicContact CB-CD2 3.66Å; C393-L459 VanDerWaalsContact SG-CD2 3.53Å
394	E	92.6	Very high	92.2	Very high	131 Å²	131	40.8 Å²	40.8	61%	0.612	23%	0.227	S	C	*	.	H	α-helix	trans	-58.6	-48.1	176.5	-71.8	167.5	-168.6	0	0	112	G390 Q392 L396 V397 E398	G390-E394 WeakPolarHBondContact O-CG 3.29Å; G390-E394 PolarHBondContact O-N 2.96Å; Q392-E394 VanDerWaalsContact C-N 3.32Å; Q392-E394 PolarHBondContact O-N 3.12Å; E394-L396 VanDerWaalsContact C-N 3.31Å; E394-L396 PolarHBondContact O-N 3.41Å; E394-V397 PolarHBondContact O-N 2.8Å; E394-E398 PolarHBondContact O-N 3.31Å; E394-E398 VanDerWaalsContact O-N 3.1Å
395	K	94.1	Very high	92.4	Very high	50 Å²	50	41.3 Å²	41.3	22%	0.217	23%	0.229	C	C	.	.	H	α-helix	trans	-62.7	-36.8	176.4	-67.4	-174.5	173.8	-170.1	0	112.4	T391 Q392 C393 E398 K399 E548 F551	T391-K395 PolarHBondContact O-N 3.38Å; Q392-K395 PolarHBondContact O-N 3.32Å; C393-K395 PolarHBondContact O-N 3.44Å; K395-E398 PolarHBondContact O-N 2.71Å; K395-K399 PolarHBondContact O-N 2.88Å; K395-K399 VanDerWaalsContact O-N 3.08Å; K395-E548 IonicContact NZ-OE1 2.72Å; K395-E548 PolarHBondContact NZ-OE1 3.17Å; K395-F551 HydrophobicContact CB-CD2 3.58Å; K395-F551 HydrophobicContact CB-CE2 3.33Å; K395-F551 HydrophobicContact CB-CG 4.39Å; K395-F551 HydrophobicContact CB-CZ 3.95Å; K395-F551 HydrophobicContact CD-CB 4.29Å; K395-F551 HydrophobicContact CD-CD2 3.98Å; K395-F551 HydrophobicContact CD-CE2 4.46Å; K395-F551 HydrophobicContact CD-CG 4.04Å; K395-F551 HydrophobicContact CG-CD2 4.45Å
396	L	94.7	Very high	92.6	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-70.2	-38.2	178.5	-73.2	174.1	0	0	0	112.2	Q392 C393 E394 E398 K399 Y400 L459 F551 L554 I558	Q392-L396 WeakPolarHBondContact O-CB 3.45Å; Q392-L396 VanDerWaalsContact O-CG 3.27Å; Q392-L396 WeakPolarHBondContact O-CG 3.4Å; Q392-L396 PolarHBondContact O-N 2.64Å; C393-L396 PolarHBondContact O-N 3.26Å; E394-L396 VanDerWaalsContact C-N 3.31Å; E394-L396 PolarHBondContact O-N 3.41Å; L396-E398 VanDerWaalsContact C-N 3.34Å; L396-K399 PolarHBondContact O-N 3.37Å; L396-Y400 HydrophobicContact CD2-CD2 3.78Å; L396-Y400 HydrophobicContact CD2-CE2 3.68Å; L396-Y400 WeakPolarHBondContact O-CB 3.35Å; L396-Y400 PolarHBondContact O-N 3.27Å; L396-L459 HydrophobicContact CB-CD2 4.06Å; L396-L459 HydrophobicContact CD1-CD1 4.47Å; L396-L459 HydrophobicContact CD1-CD2 4.03Å; L396-F551 HydrophobicContact CD2-CD2 4.33Å; L396-F551 HydrophobicContact CD2-CE2 3.75Å; L396-F551 HydrophobicContact CG-CE2 4.07Å; L396-L554 HydrophobicContact CD1-CD1 4.43Å; L396-L554 HydrophobicContact CD2-CB 4.41Å; L396-I558 HydrophobicContact CD1-CD1 3.73Å; L396-I558 HydrophobicContact CD2-CD1 3.38Å; L396-I558 HydrophobicContact CG-CD1 4.15Å
397	V	93.9	Very high	92.6	Very high	48 Å²	48	40.8 Å²	40.8	29%	0.291	22%	0.222	S	C	.	.	H	α-helix	trans	-59.7	-46.9	172.3	168.7	0	0	0	0	110.2	C393 E394 K399 G401 F402 H404	C393-V397 VanDerWaalsContact O-CG2 3.28Å; C393-V397 WeakPolarHBondContact O-CG2 3.4Å; C393-V397 PolarHBondContact O-N 3.17Å; E394-V397 PolarHBondContact O-N 2.8Å; V397-K399 PolarHBondContact O-N 3.45Å; V397-G401 VanDerWaalsContact O-CA 3.22Å; V397-G401 WeakPolarHBondContact O-CA 3.23Å; V397-G401 PolarHBondContact O-N 3.19Å; V397-F402 WeakPolarHBondContact CG1-O 3.5Å; V397-F402 WeakPolarHBondContact CG2-O 3.44Å; V397-H404 HydrophobicContact CG2-CB 3.52Å
398	E	93.8	Very high	92.1	Very high	170 Å²	170	41.8 Å²	41.8	79%	0.794	23%	0.232	S	C	*	.	H	α-helix	trans	-61.3	-45	179.3	-171.6	-179.7	-175.4	0	0	112.2	E394 K395 L396	E394-E398 PolarHBondContact O-N 3.31Å; E394-E398 VanDerWaalsContact O-N 3.1Å; K395-E398 PolarHBondContact O-N 2.71Å; L396-E398 VanDerWaalsContact C-N 3.34Å
399	K	94.2	Very high	92	Very high	97 Å²	97	45.7 Å²	45.7	42%	0.422	24%	0.244	S	C	.	.	H	α-helix	trans	-74.9	-48.2	-178	-175.1	179.1	177.2	-157.2	0	113.2	K395 L396 V397 R456 F551 C555	K395-K399 PolarHBondContact O-N 2.88Å; K395-K399 VanDerWaalsContact O-N 3.08Å; L396-K399 PolarHBondContact O-N 3.37Å; V397-K399 PolarHBondContact O-N 3.45Å; K399-R456 PolarHBondContact O-NH2 3.49Å; K399-F551 HydrophobicContact CB-CZ 4.03Å; K399-F551 HydrophobicContact CD-CE1 4.11Å; K399-F551 HydrophobicContact CD-CZ 3.75Å; K399-C555 VanDerWaalsContact NZ-CB 3.34Å; K399-C555 PolarHBondContact NZ-SG 2.63Å
400	Y	93.6	Very high	92	Very high	25 Å²	25	44.5 Å²	44.5	10%	0.098	24%	0.24	C	C	.	.	H	α-helix	trans	-103.1	-2.8	-169.6	-65	-81.7	0	0	0	113.9	L396 F402 R456 C555 I558 D559	L396-Y400 HydrophobicContact CD2-CD2 3.78Å; L396-Y400 HydrophobicContact CD2-CE2 3.68Å; L396-Y400 WeakPolarHBondContact O-CB 3.35Å; L396-Y400 PolarHBondContact O-N 3.27Å; Y400-F402 HydrophobicContact CD1-CE2 4.47Å; Y400-F402 HydrophobicContact CD1-CZ 4.33Å; Y400-F402 HydrophobicContact CD2-CE2 4.12Å; Y400-F402 HydrophobicContact CG-CD2 4.4Å; Y400-F402 AromaticContact CG-CE2 3.76Å; Y400-F402 HydrophobicContact CG-CE2 3.76Å; Y400-F402 HydrophobicContact CG-CZ 4.01Å; Y400-F402 PolarHBondContact O-N 3.16Å; Y400-R456 PolarHBondContact O-NE 3.41Å; Y400-R456 PolarHBondContact O-NH2 2.95Å; Y400-C555 WeakPolarHBondContact OH-CA 3.5Å; Y400-C555 WeakPolarHBondContact OH-CB 3.47Å; Y400-C555 PolarHBondContact OH-O 3.37Å; Y400-I558 HydrophobicContact CD1-CG2 4.19Å; Y400-I558 HydrophobicContact CD2-CG2 4.44Å; Y400-I558 HydrophobicContact CE1-CG2 3.92Å; Y400-I558 HydrophobicContact CE2-CD1 4.39Å; Y400-I558 HydrophobicContact CE2-CG2 4.19Å; Y400-I558 HydrophobicContact CG-CG2 4.45Å; Y400-D559 WeakPolarHBondContact CE1-OD1 3.29Å; Y400-D559 VanDerWaalsContact CZ-OD1 3.27Å; Y400-D559 VanDerWaalsContact OH-CG 3.25Å; Y400-D559 PolarHBondContact OH-OD1 3.2Å; Y400-D559 PolarHBondContact OH-OD2 3.19Å
401	G	92.2	Very high	91.9	Very high	28 Å²	28	44.7 Å²	44.7	29%	0.289	23%	0.234	S	C	.	.			trans	59.2	35	179.7	0	0	0	0	0	112.8	V397 R456	V397-G401 VanDerWaalsContact O-CA 3.22Å; V397-G401 WeakPolarHBondContact O-CA 3.23Å; V397-G401 PolarHBondContact O-N 3.19Å; G401-R456 PolarHBondContact O-N 2.96Å
402	F	94.5	Very high	91.7	Very high	8 Å²	8	48.8 Å²	48.8	4%	0.035	24%	0.241	C	C	.	.			trans	-78.6	157	173.8	-64.7	-36.7	0	0	0	111.3	I379 V397 Y400 R456 G457 L459 I558 F562	I379-F402 HydrophobicContact CD1-CE2 3.81Å; I379-F402 HydrophobicContact CD1-CZ 3.94Å; V397-F402 WeakPolarHBondContact CG1-O 3.5Å; V397-F402 WeakPolarHBondContact CG2-O 3.44Å; Y400-F402 HydrophobicContact CD1-CE2 4.47Å; Y400-F402 HydrophobicContact CD1-CZ 4.33Å; Y400-F402 HydrophobicContact CD2-CE2 4.12Å; Y400-F402 HydrophobicContact CG-CD2 4.4Å; Y400-F402 AromaticContact CG-CE2 3.76Å; Y400-F402 HydrophobicContact CG-CE2 3.76Å; Y400-F402 HydrophobicContact CG-CZ 4.01Å; Y400-F402 PolarHBondContact O-N 3.16Å; F402-R456 HydrophobicContact CD1-CB 4.41Å; F402-G457 CarbonylContact C-O 3.59Å; F402-G457 VanDerWaalsContact CA-O 3.23Å; F402-G457 WeakPolarHBondContact CA-O 3.43Å; F402-G457 WeakPolarHBondContact CB-O 3.38Å; F402-L459 HydrophobicContact CB-CB 4.33Å; F402-I558 HydrophobicContact CE2-CD1 4.43Å; F402-I558 HydrophobicContact CE2-CG2 4.06Å; F402-I558 HydrophobicContact CZ-CG2 4.09Å; F402-F562 HydrophobicContact CE1-CE2 4.32Å; F402-F562 AromaticContact CE1-CZ 3.82Å; F402-F562 HydrophobicContact CE1-CZ 3.82Å; F402-F562 AromaticContact CZ-CE2 3.77Å; F402-F562 HydrophobicContact CZ-CE2 3.77Å; F402-F562 AromaticContact CZ-CZ 3.75Å; F402-F562 HydrophobicContact CZ-CZ 3.75Å
403	T	94.8	Very high	91.4	Very high	30 Å²	30	56.1 Å²	56.1	18%	0.184	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	115.6	166.2	-58.1	0	0	0	0	108.9	L405 T455 G457 F458 L459	T403-L405 HydrophobicContact CG2-CD2 3.9Å; T403-L405 HydrophobicContact CG2-CG 4.15Å; T403-T455 WeakPolarHBondContact CB-OG1 3.5Å; T403-T455 PolarHBondContact N-OG1 3.08Å; T403-T455 WeakPolarHBondContact OG1-CB 3.27Å; T403-T455 PolarHBondContact OG1-OG1 2.98Å; T403-G457 PolarHBondContact N-O 3.46Å; T403-F458 HydrophobicContact CG2-CD1 4.49Å; T403-L459 PolarHBondContact O-N 2.97Å
404	H	95.1	Very high	91.3	Very high	47 Å²	47	57.1 Å²	57.1	22%	0.218	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	122.9	174.3	174.2	-130.9	0	0	0	110.8	V397 L459 D461	V397-H404 HydrophobicContact CG2-CB 3.52Å; H404-L459 WeakPolarHBondContact CA-O 3.29Å; H404-D461 WeakPolarHBondContact NE2-CB 3.34Å; H404-D461 IonicContact NE2-OD2 3.56Å
405	L	94.3	Very high	91	Very high	13 Å²	13	52.3 Å²	52.3	7%	0.068	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	110	178.1	-61.7	-180	0	0	0	109.4	T403 L444 A447 M448 F458 L459 I460 D461	T403-L405 HydrophobicContact CG2-CD2 3.9Å; T403-L405 HydrophobicContact CG2-CG 4.15Å; L405-L444 HydrophobicContact CB-CD1 3.85Å; L405-L444 HydrophobicContact CD1-CD1 3.96Å; L405-A447 HydrophobicContact CD1-CB 4.27Å; L405-A447 HydrophobicContact CD2-CB 3.83Å; L405-M448 HydrophobicContact CD1-CB 4.35Å; L405-M448 HydrophobicContact CD1-CG 3.4Å; L405-F458 HydrophobicContact CD1-CD1 3.78Å; L405-F458 HydrophobicContact CD1-CE1 4.25Å; L405-F458 HydrophobicContact CG-CD1 4.48Å; L405-L459 PolarHBondContact N-O 3.49Å; L405-I460 WeakPolarHBondContact O-CA 3.43Å; L405-D461 PolarHBondContact O-N 2.91Å
406	S	90.8	Very high	90.7	Very high	18 Å²	18	53.7 Å²	53.7	13%	0.126	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	124.9	175	-174.3	0	0	0	0	110.4	G408 E409 L410 D461	S406-G408 PolarHBondContact O-N 3.34Å; S406-E409 WeakPolarHBondContact O-CB 3.08Å; S406-E409 PolarHBondContact O-N 3.19Å; S406-L410 WeakPolarHBondContact O-CG 2.98Å; S406-L410 PolarHBondContact O-N 2.88Å; S406-D461 PolarHBondContact OG-OD2 3.16Å
407	T	87.1	Confident	90.2	Very high	8 Å²	8	56.6 Å²	56.6	5%	0.049	30%	0.297	C	S	.	.	H	α-helix	trans	-57.8	-35.7	179.3	48.7	0	0	0	0	113.1	E409 L410 L411 V440 D461 G462 Y463	T407-E409 VanDerWaalsContact C-N 3.32Å; T407-E409 PolarHBondContact O-N 3Å; T407-L410 PolarHBondContact O-N 3.48Å; T407-L411 WeakPolarHBondContact O-CB 3.22Å; T407-L411 WeakPolarHBondContact O-CG 3.2Å; T407-L411 PolarHBondContact O-N 3.1Å; T407-V440 HydrophobicContact CG2-CG1 3.55Å; T407-D461 PolarHBondContact N-O 3.46Å; T407-G462 PolarHBondContact OG1-O 2.93Å; T407-Y463 HydrophobicContact CG2-CD2 3.93Å; T407-Y463 HydrophobicContact CG2-CG 4.13Å
408	G	83.1	Confident	89.7	Confident	23 Å²	23	61.9 Å²	61.9	24%	0.237	32%	0.318	C	S	.	.	H	α-helix	trans	-68.1	-30.3	176.3	0	0	0	0	0	113.3	S406 R412	S406-G408 PolarHBondContact O-N 3.34Å; G408-R412 WeakPolarHBondContact O-CG 3.13Å; G408-R412 PolarHBondContact O-N 3.32Å; G408-R412 PolarHBondContact O-NE 2.98Å
409	E	86.7	Confident	89.3	Confident	108 Å²	108	55.5 Å²	55.5	51%	0.505	29%	0.293	S	S	.	.	H	α-helix	trans	-77.4	-42.7	174.6	-174.2	174	-176.3	0	0	111.7	S406 T407 L411 R412 K413	S406-E409 WeakPolarHBondContact O-CB 3.08Å; S406-E409 PolarHBondContact O-N 3.19Å; T407-E409 VanDerWaalsContact C-N 3.32Å; T407-E409 PolarHBondContact O-N 3Å; E409-L411 VanDerWaalsContact C-N 3.31Å; E409-L411 PolarHBondContact O-N 3.41Å; E409-R412 PolarHBondContact O-N 3.39Å; E409-R412 VanDerWaalsContact O-N 3.13Å; E409-K413 WeakPolarHBondContact O-CB 3.04Å; E409-K413 PolarHBondContact O-N 3.23Å
410	L	90.8	Very high	88.8	Confident	23 Å²	23	57.5 Å²	57.5	12%	0.12	30%	0.303	C	S	.	.	H	α-helix	trans	-56.9	-45.5	175	-66.3	177.1	0	0	0	111.5	S406 T407 R412 K413 E414 L443 L444 A447	S406-L410 WeakPolarHBondContact O-CG 2.98Å; S406-L410 PolarHBondContact O-N 2.88Å; T407-L410 PolarHBondContact O-N 3.48Å; L410-R412 PolarHBondContact O-N 3.09Å; L410-K413 PolarHBondContact O-N 2.9Å; L410-E414 WeakPolarHBondContact O-CB 3.41Å; L410-E414 PolarHBondContact O-N 3.32Å; L410-L443 HydrophobicContact CB-CB 4.35Å; L410-L444 HydrophobicContact CD1-CB 4.24Å; L410-L444 HydrophobicContact CD1-CD1 3.77Å; L410-A447 HydrophobicContact CD1-CB 4.25Å; L410-A447 HydrophobicContact CD2-CB 3.53Å
411	L	86.6	Confident	88.4	Confident	30 Å²	30	59 Å²	59	16%	0.157	31%	0.309	C	S	.	.	H	α-helix	trans	-62.2	-42	175.4	-74.3	168.7	0	0	0	112.5	T407 E409 E414 L415 I425 V435 V440 L443	T407-L411 WeakPolarHBondContact O-CB 3.22Å; T407-L411 WeakPolarHBondContact O-CG 3.2Å; T407-L411 PolarHBondContact O-N 3.1Å; E409-L411 VanDerWaalsContact C-N 3.31Å; E409-L411 PolarHBondContact O-N 3.41Å; L411-E414 PolarHBondContact O-N 3.46Å; L411-L415 WeakPolarHBondContact O-CB 3.5Å; L411-L415 VanDerWaalsContact O-CG 3.29Å; L411-L415 WeakPolarHBondContact O-CG 3.42Å; L411-L415 PolarHBondContact O-N 3.43Å; L411-I425 HydrophobicContact CD2-CD1 4.25Å; L411-I425 HydrophobicContact CD2-CG2 4.25Å; L411-V435 HydrophobicContact CD2-CB 4.46Å; L411-V435 HydrophobicContact CD2-CG1 3.98Å; L411-V435 HydrophobicContact CD2-CG2 4.33Å; L411-V440 HydrophobicContact CD1-CG2 4.47Å; L411-V440 HydrophobicContact CD2-CG2 4.45Å; L411-L443 HydrophobicContact CD2-CD1 3.72Å; L411-L443 HydrophobicContact CG-CD1 4.36Å
412	R	85.3	Confident	88.2	Confident	163 Å²	163	57.8 Å²	57.8	62%	0.615	30%	0.296	S	S	*	.	H	α-helix	trans	-65.7	-39.7	176.7	-77.7	-174.2	-65.2	-109.1	-0.6	112.3	G408 E409 L410 L415 A416	G408-R412 WeakPolarHBondContact O-CG 3.13Å; G408-R412 PolarHBondContact O-N 3.32Å; G408-R412 PolarHBondContact O-NE 2.98Å; E409-R412 PolarHBondContact O-N 3.39Å; E409-R412 VanDerWaalsContact O-N 3.13Å; L410-R412 PolarHBondContact O-N 3.09Å; R412-L415 PolarHBondContact O-N 2.87Å; R412-A416 PolarHBondContact O-N 3.45Å; R412-A416 VanDerWaalsContact O-N 3.15Å
413	K	89.1	Confident	87.8	Confident	159 Å²	159	62.1 Å²	62.1	69%	0.691	32%	0.315	S	S	*	.	H	α-helix	trans	-65	-43.3	176.5	-172.8	179.3	178.5	-176.6	0	110.7	E409 L410 A416 S417	E409-K413 WeakPolarHBondContact O-CB 3.04Å; E409-K413 PolarHBondContact O-N 3.23Å; L410-K413 PolarHBondContact O-N 2.9Å; K413-A416 PolarHBondContact O-N 2.9Å; K413-A416 VanDerWaalsContact O-N 3.16Å; K413-S417 PolarHBondContact O-N 3.39Å
414	E	90.7	Very high	87.4	Confident	20 Å²	20	64.8 Å²	64.8	9%	0.093	33%	0.327	C	S	.	.	H	α-helix	trans	-62.4	-44.1	175.3	-174.2	62.8	-160.7	0	0	111.3	L410 L411 A416 S417 S419 R421 S422 I425 L443	L410-E414 WeakPolarHBondContact O-CB 3.41Å; L410-E414 PolarHBondContact O-N 3.32Å; L411-E414 PolarHBondContact O-N 3.46Å; E414-A416 PolarHBondContact O-N 2.93Å; E414-S417 WeakPolarHBondContact O-CB 3.46Å; E414-S417 PolarHBondContact O-N 3.46Å; E414-S417 PolarHBondContact O-OG 3.02Å; E414-S419 PolarHBondContact OE1-OG 3.28Å; E414-R421 VanDerWaalsContact CD-NH2 3.35Å; E414-R421 HydrophobicContact CG-CG 4.37Å; E414-R421 WeakPolarHBondContact OE1-CB 3.5Å; E414-R421 IonicContact OE1-CZ 2.64Å; E414-R421 IonicContact OE1-NE 3.46Å; E414-R421 PolarHBondContact OE1-NE 3.18Å; E414-R421 IonicContact OE1-NH2 3.69Å; E414-R421 PolarHBondContact OE1-NH2 2.74Å; E414-R421 IonicContact OE2-CZ 3.6Å; E414-R421 IonicContact OE2-NE 2.59Å; E414-R421 IonicContact OE2-NH2 2.68Å; E414-R421 PolarHBondContact OE2-NH2 2.87Å; E414-S422 WeakPolarHBondContact O-CB 3.44Å; E414-I425 HydrophobicContact CB-CD1 4.31Å; E414-I425 HydrophobicContact CG-CD1 3.6Å; E414-L443 HydrophobicContact CB-CD1 4.19Å; E414-L443 HydrophobicContact CB-CD2 3.87Å; E414-L443 HydrophobicContact CG-CD1 4.39Å; E414-L443 HydrophobicContact CG-CD2 3.82Å; E414-L443 WeakPolarHBondContact OE2-CD2 3.36Å
415	L	86.6	Confident	86.8	Confident	30 Å²	30	62.6 Å²	62.6	16%	0.157	32%	0.317	C	S	.	.	H	α-helix	trans	-60.9	-24.8	175.6	-77.5	170.3	0	0	0	113.9	L411 R412 I425 R426 M429	L411-L415 WeakPolarHBondContact O-CB 3.5Å; L411-L415 VanDerWaalsContact O-CG 3.29Å; L411-L415 WeakPolarHBondContact O-CG 3.42Å; L411-L415 PolarHBondContact O-N 3.43Å; R412-L415 PolarHBondContact O-N 2.87Å; L415-I425 HydrophobicContact CD1-CG2 4.41Å; L415-I425 HydrophobicContact CD2-CB 4.12Å; L415-I425 HydrophobicContact CD2-CG2 3.81Å; L415-I425 HydrophobicContact CG-CG2 4.05Å; L415-R426 HydrophobicContact CD2-CB 3.89Å; L415-R426 PolarHBondContact O-NH2 3.47Å; L415-M429 HydrophobicContact CD1-CE 4.31Å; L415-M429 HydrophobicContact CD1-SD 3.75Å
416	A	87.6	Confident	86.3	Confident	79 Å²	79	66.7 Å²	66.7	65%	0.653	33%	0.332	S	S	*	.	H	α-helix	trans	-85.3	-13.2	175.6	0	0	0	0	0	113.3	R412 K413 E414 E418	R412-A416 PolarHBondContact O-N 3.45Å; R412-A416 VanDerWaalsContact O-N 3.15Å; K413-A416 PolarHBondContact O-N 2.9Å; K413-A416 VanDerWaalsContact O-N 3.16Å; E414-A416 PolarHBondContact O-N 2.93Å; A416-E418 VanDerWaalsContact C-N 3.29Å; A416-E418 PolarHBondContact O-N 3Å
417	S	84.4	Confident	85.9	Confident	62 Å²	62	69.5 Å²	69.5	43%	0.434	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-10.7	-176.9	73.7	0	0	0	0	114.5	K413 E414 S419	K413-S417 PolarHBondContact O-N 3.39Å; E414-S417 WeakPolarHBondContact O-CB 3.46Å; E414-S417 PolarHBondContact O-N 3.46Å; E414-S417 PolarHBondContact O-OG 3.02Å; S417-S419 PolarHBondContact O-N 3.32Å; S417-S419 WeakPolarHBondContact OG-CB 3.35Å; S417-S419 PolarHBondContact OG-N 3.49Å; S417-S419 PolarHBondContact OG-OG 3.47Å
418	E	82.6	Confident	85.2	Confident	159 Å²	159	69.9 Å²	69.9	74%	0.743	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	18.4	-174.3	-60.3	-170.4	171.2	0	0	114.9	A416 S422	A416-E418 VanDerWaalsContact C-N 3.29Å; A416-E418 PolarHBondContact O-N 3Å; E418-S422 VanDerWaalsContact CA-OG 3.25Å; E418-S422 WeakPolarHBondContact CA-OG 3.4Å
419	S	86.1	Confident	84.7	Confident	36 Å²	36	73.3 Å²	73.3	25%	0.252	36%	0.358	S	S	.	.			trans	-64.2	162.8	175.5	77.5	0	0	0	0	112.4	E414 S417 R421 S422 K423	E414-S419 PolarHBondContact OE1-OG 3.28Å; S417-S419 PolarHBondContact O-N 3.32Å; S417-S419 WeakPolarHBondContact OG-CB 3.35Å; S417-S419 PolarHBondContact OG-N 3.49Å; S417-S419 PolarHBondContact OG-OG 3.47Å; S419-R421 PolarHBondContact O-N 2.98Å; S419-R421 PolarHBondContact OG-N 2.8Å; S419-S422 PolarHBondContact N-OG 3.43Å; S419-S422 WeakPolarHBondContact O-CA 3.47Å; S419-S422 VanDerWaalsContact O-CB 3.3Å; S419-S422 WeakPolarHBondContact O-CB 3.35Å; S419-S422 PolarHBondContact O-N 3.5Å; S419-S422 PolarHBondContact O-OG 2.87Å; S419-S422 WeakPolarHBondContact OG-CB 3.21Å; S419-S422 PolarHBondContact OG-N 3.36Å; S419-K423 PolarHBondContact O-N 2.96Å; S419-K423 VanDerWaalsContact O-N 3.07Å
420	E	83.5	Confident	83.9	Confident	138 Å²	138	75.1 Å²	75.1	65%	0.645	37%	0.366	S	S	*	.	H	α-helix	trans	-58.9	-36.2	171.3	-70.4	-57.1	129.1	0	0	112	S422 K423 L424	E420-S422 VanDerWaalsContact C-N 3.32Å; E420-S422 PolarHBondContact O-N 3.08Å; E420-K423 PolarHBondContact O-N 2.7Å; E420-K423 IonicContact OE1-NZ 3.89Å; E420-K423 PolarHBondContact OE1-NZ 2.75Å; E420-K423 IonicContact OE2-NZ 2.69Å; E420-L424 PolarHBondContact O-N 3.24Å; E420-L424 VanDerWaalsContact O-N 3.07Å
421	R	84.8	Confident	82.5	Confident	58 Å²	58	80.9 Å²	80.9	22%	0.219	39%	0.386	C	S	.	.	H	α-helix	trans	-63.1	-38.1	172.5	-179.8	170.8	66.4	-176.3	3.2	111.5	E414 S419 K423 L424 I425 I439 L443 E446	E414-R421 VanDerWaalsContact CD-NH2 3.35Å; E414-R421 HydrophobicContact CG-CG 4.37Å; E414-R421 WeakPolarHBondContact OE1-CB 3.5Å; E414-R421 IonicContact OE1-CZ 2.64Å; E414-R421 IonicContact OE1-NE 3.46Å; E414-R421 PolarHBondContact OE1-NE 3.18Å; E414-R421 IonicContact OE1-NH2 3.69Å; E414-R421 PolarHBondContact OE1-NH2 2.74Å; E414-R421 IonicContact OE2-CZ 3.6Å; E414-R421 IonicContact OE2-NE 2.59Å; E414-R421 IonicContact OE2-NH2 2.68Å; E414-R421 PolarHBondContact OE2-NH2 2.87Å; S419-R421 PolarHBondContact O-N 2.98Å; S419-R421 PolarHBondContact OG-N 2.8Å; R421-K423 VanDerWaalsContact C-N 3.34Å; R421-K423 PolarHBondContact O-N 3.25Å; R421-L424 PolarHBondContact O-N 2.9Å; R421-I425 HydrophobicContact CG-CD1 3.95Å; R421-I425 VanDerWaalsContact O-CG1 3.26Å; R421-I425 WeakPolarHBondContact O-CG1 3.08Å; R421-I425 PolarHBondContact O-N 2.89Å; R421-I439 HydrophobicContact CG-CG2 4.41Å; R421-L443 VanDerWaalsContact CZ-CD2 3.46Å; R421-L443 VanDerWaalsContact NH2-CD2 3.28Å; R421-E446 IonicContact CZ-OE1 3.34Å; R421-E446 IonicContact CZ-OE2 3.4Å; R421-E446 IonicContact NH1-OE1 3.06Å; R421-E446 PolarHBondContact NH1-OE1 3.03Å; R421-E446 IonicContact NH1-OE2 2.85Å; R421-E446 PolarHBondContact NH1-OE2 3.39Å; R421-E446 IonicContact NH2-OE1 2.79Å; R421-E446 IonicContact NH2-OE2 2.83Å; R421-E446 PolarHBondContact NH2-OE2 3.45Å
422	S	88.1	Confident	80.6	Confident	1 Å²	1	82.7 Å²	82.7	1%	0.007	41%	0.413	C	S	.	.	H	α-helix	trans	-64	-37.2	175.1	87.5	0	0	0	0	112.6	E414 E418 S419 E420 I425 R426	E414-S422 WeakPolarHBondContact O-CB 3.44Å; E418-S422 VanDerWaalsContact CA-OG 3.25Å; E418-S422 WeakPolarHBondContact CA-OG 3.4Å; S419-S422 PolarHBondContact N-OG 3.43Å; S419-S422 WeakPolarHBondContact O-CA 3.47Å; S419-S422 VanDerWaalsContact O-CB 3.3Å; S419-S422 WeakPolarHBondContact O-CB 3.35Å; S419-S422 PolarHBondContact O-N 3.5Å; S419-S422 PolarHBondContact O-OG 2.87Å; S419-S422 WeakPolarHBondContact OG-CB 3.21Å; S419-S422 PolarHBondContact OG-N 3.36Å; E420-S422 VanDerWaalsContact C-N 3.32Å; E420-S422 PolarHBondContact O-N 3.08Å; S422-I425 PolarHBondContact O-N 3.15Å; S422-R426 VanDerWaalsContact O-CB 3.28Å; S422-R426 WeakPolarHBondContact O-CB 3.3Å; S422-R426 PolarHBondContact O-N 3.42Å
423	K	86.1	Confident	79.3	Confident	100 Å²	100	79.3 Å²	79.3	44%	0.435	41%	0.407	S	S	.	.	H	α-helix	trans	-65.4	-45.9	175.2	-65.1	175.8	-173.2	168.6	0	110.5	S419 E420 R421 I425 R426 D427	S419-K423 PolarHBondContact O-N 2.96Å; S419-K423 VanDerWaalsContact O-N 3.07Å; E420-K423 PolarHBondContact O-N 2.7Å; E420-K423 IonicContact OE1-NZ 3.89Å; E420-K423 PolarHBondContact OE1-NZ 2.75Å; E420-K423 IonicContact OE2-NZ 2.69Å; R421-K423 VanDerWaalsContact C-N 3.34Å; R421-K423 PolarHBondContact O-N 3.25Å; K423-I425 PolarHBondContact O-N 3.32Å; K423-R426 WeakPolarHBondContact O-CB 3.45Å; K423-R426 PolarHBondContact O-N 2.97Å; K423-D427 WeakPolarHBondContact O-CB 3.35Å; K423-D427 VanDerWaalsContact O-CG 3.31Å; K423-D427 PolarHBondContact O-N 2.91Å
424	L	85.5	Confident	78.1	Confident	86 Å²	86	78.3 Å²	78.3	45%	0.45	41%	0.408	S	S	.	.	H	α-helix	trans	-58.5	-47.6	174.7	178.1	64.5	0	0	0	112.1	E420 R421 R426 D427 I428 I439	E420-L424 PolarHBondContact O-N 3.24Å; E420-L424 VanDerWaalsContact O-N 3.07Å; R421-L424 PolarHBondContact O-N 2.9Å; L424-R426 VanDerWaalsContact C-N 3.31Å; L424-R426 PolarHBondContact O-N 3.15Å; L424-D427 PolarHBondContact O-N 3.39Å; L424-I428 HydrophobicContact CD1-CD1 3.99Å; L424-I428 HydrophobicContact CD1-CG1 4.39Å; L424-I428 HydrophobicContact CG-CD1 3.91Å; L424-I428 WeakPolarHBondContact O-CD1 3.43Å; L424-I428 WeakPolarHBondContact O-CG1 3.42Å; L424-I428 PolarHBondContact O-N 2.94Å; L424-I439 HydrophobicContact CD2-CD1 4.02Å
425	I	83.1	Confident	77.4	Confident	0 Å²	0	78.2 Å²	78.2	0%	0	41%	0.409	C	S	.	.	H	α-helix	trans	-62.3	-41.7	178.3	-66.5	165.3	0	0	0	110.4	L411 E414 L415 R421 S422 K423 I428 M429 V435 I439 L443	L411-I425 HydrophobicContact CD2-CD1 4.25Å; L411-I425 HydrophobicContact CD2-CG2 4.25Å; E414-I425 HydrophobicContact CB-CD1 4.31Å; E414-I425 HydrophobicContact CG-CD1 3.6Å; L415-I425 HydrophobicContact CD1-CG2 4.41Å; L415-I425 HydrophobicContact CD2-CB 4.12Å; L415-I425 HydrophobicContact CD2-CG2 3.81Å; L415-I425 HydrophobicContact CG-CG2 4.05Å; R421-I425 HydrophobicContact CG-CD1 3.95Å; R421-I425 VanDerWaalsContact O-CG1 3.26Å; R421-I425 WeakPolarHBondContact O-CG1 3.08Å; R421-I425 PolarHBondContact O-N 2.89Å; S422-I425 PolarHBondContact O-N 3.15Å; K423-I425 PolarHBondContact O-N 3.32Å; I425-I428 PolarHBondContact O-N 3Å; I425-M429 HydrophobicContact CG2-CG 4.33Å; I425-M429 HydrophobicContact CG2-SD 3.77Å; I425-M429 WeakPolarHBondContact O-CB 3.28Å; I425-M429 VanDerWaalsContact O-CG 3.26Å; I425-M429 WeakPolarHBondContact O-CG 3.45Å; I425-M429 PolarHBondContact O-N 3.35Å; I425-V435 HydrophobicContact CG1-CG1 4.38Å; I425-V435 HydrophobicContact CG2-CG2 4.02Å; I425-I439 HydrophobicContact CD1-CG2 3.85Å; I425-I439 HydrophobicContact CG1-CG2 4.12Å; I425-L443 HydrophobicContact CD1-CD1 4.36Å
426	R	83.7	Confident	77.2	Confident	100 Å²	100	79.8 Å²	79.8	38%	0.377	42%	0.421	S	S	.	.	H	α-helix	trans	-61.7	-49	177.7	-171	-176.8	-52.3	-83.2	-5.5	111.2	L415 S422 K423 L424 I428 M429 E430	L415-R426 HydrophobicContact CD2-CB 3.89Å; L415-R426 PolarHBondContact O-NH2 3.47Å; S422-R426 VanDerWaalsContact O-CB 3.28Å; S422-R426 WeakPolarHBondContact O-CB 3.3Å; S422-R426 PolarHBondContact O-N 3.42Å; K423-R426 WeakPolarHBondContact O-CB 3.45Å; K423-R426 PolarHBondContact O-N 2.97Å; L424-R426 VanDerWaalsContact C-N 3.31Å; L424-R426 PolarHBondContact O-N 3.15Å; R426-I428 VanDerWaalsContact C-N 3.3Å; R426-I428 PolarHBondContact O-N 2.98Å; R426-M429 PolarHBondContact O-N 3.07Å; R426-M429 VanDerWaalsContact O-N 3.16Å; R426-E430 HydrophobicContact CG-CG 4.33Å; R426-E430 WeakPolarHBondContact CG-OE1 3.2Å; R426-E430 WeakPolarHBondContact O-CB 3.46Å; R426-E430 WeakPolarHBondContact O-CG 3.35Å; R426-E430 PolarHBondContact O-N 2.63Å
427	D	82.1	Confident	77	Confident	76 Å²	76	78.9 Å²	78.9	41%	0.406	41%	0.41	S	S	.	.	H	α-helix	trans	-58.7	-41.3	178.3	-77.3	4.9	0	0	0	112	K423 L424 R431	K423-D427 WeakPolarHBondContact O-CB 3.35Å; K423-D427 VanDerWaalsContact O-CG 3.31Å; K423-D427 PolarHBondContact O-N 2.91Å; L424-D427 PolarHBondContact O-N 3.39Å; D427-R431 WeakPolarHBondContact O-CG 3.26Å; D427-R431 PolarHBondContact O-N 3.4Å; D427-R431 PolarHBondContact O-NE 3.43Å; D427-R431 PolarHBondContact O-NH1 3.5Å
428	I	72.6	Confident	76.9	Confident	16 Å²	16	77.4 Å²	77.4	8%	0.082	40%	0.404	C	S	.	.	H	α-helix	trans	-64.4	-47.8	175.7	-68.1	166.7	0	0	0	110.3	L424 I425 R426 E430 R431 G432 D433 P436	L424-I428 HydrophobicContact CD1-CD1 3.99Å; L424-I428 HydrophobicContact CD1-CG1 4.39Å; L424-I428 HydrophobicContact CG-CD1 3.91Å; L424-I428 WeakPolarHBondContact O-CD1 3.43Å; L424-I428 WeakPolarHBondContact O-CG1 3.42Å; L424-I428 PolarHBondContact O-N 2.94Å; I425-I428 PolarHBondContact O-N 3Å; R426-I428 VanDerWaalsContact C-N 3.3Å; R426-I428 PolarHBondContact O-N 2.98Å; I428-E430 PolarHBondContact O-N 3.43Å; I428-R431 PolarHBondContact O-N 2.99Å; I428-G432 PolarHBondContact O-N 3.04Å; I428-D433 HydrophobicContact CG2-CB 3.73Å; I428-D433 PolarHBondContact O-N 3.24Å; I428-P436 HydrophobicContact CD1-CG 4.33Å
429	M	72.5	Confident	77.2	Confident	96 Å²	96	70.9 Å²	70.9	47%	0.473	37%	0.374	S	S	.	.	H	α-helix	trans	-68.1	-34.5	-178.8	-71.2	-179	66.9	0	0	113	L415 I425 R426 R431 G432 V435	L415-M429 HydrophobicContact CD1-CE 4.31Å; L415-M429 HydrophobicContact CD1-SD 3.75Å; I425-M429 HydrophobicContact CG2-CG 4.33Å; I425-M429 HydrophobicContact CG2-SD 3.77Å; I425-M429 WeakPolarHBondContact O-CB 3.28Å; I425-M429 VanDerWaalsContact O-CG 3.26Å; I425-M429 WeakPolarHBondContact O-CG 3.45Å; I425-M429 PolarHBondContact O-N 3.35Å; R426-M429 PolarHBondContact O-N 3.07Å; R426-M429 VanDerWaalsContact O-N 3.16Å; M429-R431 VanDerWaalsContact C-N 3.32Å; M429-G432 PolarHBondContact O-N 3.07Å; M429-V435 HydrophobicContact CG-CG2 3.95Å; M429-V435 HydrophobicContact SD-CG2 4.26Å
430	E	70.9	Confident	77.3	Confident	145 Å²	145	69.9 Å²	69.9	68%	0.678	37%	0.366	S	S	*	.	H	α-helix	trans	-67.7	-32	175.9	-78	-179.3	-173.8	0	0	112.4	R426 I428 G432	R426-E430 HydrophobicContact CG-CG 4.33Å; R426-E430 WeakPolarHBondContact CG-OE1 3.2Å; R426-E430 WeakPolarHBondContact O-CB 3.46Å; R426-E430 WeakPolarHBondContact O-CG 3.35Å; R426-E430 PolarHBondContact O-N 2.63Å; I428-E430 PolarHBondContact O-N 3.43Å; E430-G432 PolarHBondContact O-N 3.24Å
431	R	60.6	Low	77.6	Confident	144 Å²	144	63.3 Å²	63.3	54%	0.543	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-11	170.3	-71.1	-173.8	-64.9	-92.8	2.2	113.5	D427 I428 M429 D433	D427-R431 WeakPolarHBondContact O-CG 3.26Å; D427-R431 PolarHBondContact O-N 3.4Å; D427-R431 PolarHBondContact O-NE 3.43Å; D427-R431 PolarHBondContact O-NH1 3.5Å; I428-R431 PolarHBondContact O-N 2.99Å; M429-R431 VanDerWaalsContact C-N 3.32Å; R431-D433 VanDerWaalsContact C-N 3.3Å; R431-D433 WeakPolarHBondContact CB-OD2 3.28Å; R431-D433 IonicContact NE-OD2 2.65Å; R431-D433 PolarHBondContact NE-OD2 3.47Å
432	G	47.5	Very low	77.9	Confident	69 Å²	69	64.4 Å²	64.4	71%	0.711	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.1	11.4	-175.1	0	0	0	0	0	113.9	I428 M429 E430	I428-G432 PolarHBondContact O-N 3.04Å; M429-G432 PolarHBondContact O-N 3.07Å; E430-G432 PolarHBondContact O-N 3.24Å
433	D	57.7	Low	78	Confident	92 Å²	92	64.8 Å²	64.8	49%	0.492	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-80.3	156.2	179.5	-64.5	-35.1	0	0	0	111.2	I428 R431	I428-D433 HydrophobicContact CG2-CB 3.73Å; I428-D433 PolarHBondContact O-N 3.24Å; R431-D433 VanDerWaalsContact C-N 3.3Å; R431-D433 WeakPolarHBondContact CB-OD2 3.28Å; R431-D433 IonicContact NE-OD2 2.65Å; R431-D433 PolarHBondContact NE-OD2 3.47Å
434	L	62.7	Low	78.3	Confident	138 Å²	138	60 Å²	60	72%	0.723	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-78.9	136	175.8	-166.1	71.1	0	0	0	110.4	P436	L434-P436 WeakPolarHBondContact O-CD 3.48Å
435	V	77.3	Confident	78.6	Confident	18 Å²	18	58.7 Å²	58.7	11%	0.109	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-63.4	127.3	175.6	-176.3	0	0	0	0	109.8	L411 I425 M429 I439 V440	L411-V435 HydrophobicContact CD2-CB 4.46Å; L411-V435 HydrophobicContact CD2-CG1 3.98Å; L411-V435 HydrophobicContact CD2-CG2 4.33Å; I425-V435 HydrophobicContact CG1-CG1 4.38Å; I425-V435 HydrophobicContact CG2-CG2 4.02Å; M429-V435 HydrophobicContact CG-CG2 3.95Å; M429-V435 HydrophobicContact SD-CG2 4.26Å; V435-I439 HydrophobicContact CG1-CB 4.2Å; V435-I439 HydrophobicContact CG1-CG2 4.2Å; V435-V440 HydrophobicContact CB-CG2 4.49Å; V435-V440 HydrophobicContact CG1-CG2 4.15Å
436	P	82.1	Confident	78.9	Confident	63 Å²	63	63.1 Å²	63.1	41%	0.409	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-53.1	139	179.8	-29.1	34.1	0	0	0	113.4	I428 L434 G438 I439 V440	I428-P436 HydrophobicContact CD1-CG 4.33Å; L434-P436 WeakPolarHBondContact O-CD 3.48Å; P436-G438 VanDerWaalsContact C-N 3.25Å; P436-G438 PolarHBondContact O-N 2.78Å; P436-I439 HydrophobicContact CB-CD1 4.38Å; P436-I439 HydrophobicContact CB-CG1 4.4Å; P436-I439 HydrophobicContact CG-CD1 4.22Å; P436-I439 PolarHBondContact O-N 3.37Å; P436-I439 VanDerWaalsContact O-N 3.13Å; P436-V440 PolarHBondContact O-N 3.2Å
437	S	82.6	Confident	79.3	Confident	59 Å²	59	59.2 Å²	59.2	41%	0.413	33%	0.325	S	S	.	.	H	α-helix	trans	-57.4	-35.4	-178	54.8	0	0	0	0	113.6	I439 V440 L441	S437-I439 PolarHBondContact O-N 3.21Å; S437-V440 PolarHBondContact O-N 3.21Å; S437-L441 WeakPolarHBondContact O-CB 3.37Å; S437-L441 PolarHBondContact O-N 3.06Å
438	G	84.1	Confident	79.8	Confident	31 Å²	31	55.6 Å²	55.6	32%	0.32	31%	0.306	S	S	.	.	H	α-helix	trans	-61	-42	177.5	0	0	0	0	0	113.1	P436 L441 E442	P436-G438 VanDerWaalsContact C-N 3.25Å; P436-G438 PolarHBondContact O-N 2.78Å; G438-L441 PolarHBondContact O-N 2.95Å; G438-E442 WeakPolarHBondContact O-CG 3.41Å; G438-E442 PolarHBondContact O-N 3.23Å
439	I	87.3	Confident	80.6	Confident	22 Å²	22	57.6 Å²	57.6	11%	0.113	32%	0.318	C	S	.	.	H	α-helix	trans	-64.8	-44.5	177.6	-62.4	178.8	0	0	0	110.1	R421 L424 I425 V435 P436 S437 L441 E442 L443	R421-I439 HydrophobicContact CG-CG2 4.41Å; L424-I439 HydrophobicContact CD2-CD1 4.02Å; I425-I439 HydrophobicContact CD1-CG2 3.85Å; I425-I439 HydrophobicContact CG1-CG2 4.12Å; V435-I439 HydrophobicContact CG1-CB 4.2Å; V435-I439 HydrophobicContact CG1-CG2 4.2Å; P436-I439 HydrophobicContact CB-CD1 4.38Å; P436-I439 HydrophobicContact CB-CG1 4.4Å; P436-I439 HydrophobicContact CG-CD1 4.22Å; P436-I439 PolarHBondContact O-N 3.37Å; P436-I439 VanDerWaalsContact O-N 3.13Å; S437-I439 PolarHBondContact O-N 3.21Å; I439-L441 VanDerWaalsContact C-N 3.31Å; I439-L441 PolarHBondContact O-N 3.45Å; I439-E442 PolarHBondContact O-N 3.45Å; I439-L443 HydrophobicContact CG2-CD1 4.22Å; I439-L443 WeakPolarHBondContact O-CG 3.38Å; I439-L443 PolarHBondContact O-N 3.37Å
440	V	89.2	Confident	81.4	Confident	15 Å²	15	57.1 Å²	57.1	9%	0.091	33%	0.33	C	S	.	.	H	α-helix	trans	-62.4	-41	178.6	-180	0	0	0	0	111	T407 L411 V435 P436 S437 L443 L444 Y463	T407-V440 HydrophobicContact CG2-CG1 3.55Å; L411-V440 HydrophobicContact CD1-CG2 4.47Å; L411-V440 HydrophobicContact CD2-CG2 4.45Å; V435-V440 HydrophobicContact CB-CG2 4.49Å; V435-V440 HydrophobicContact CG1-CG2 4.15Å; P436-V440 PolarHBondContact O-N 3.2Å; S437-V440 PolarHBondContact O-N 3.21Å; V440-L443 PolarHBondContact O-N 2.94Å; V440-L444 WeakPolarHBondContact O-CB 3.43Å; V440-L444 PolarHBondContact O-N 3.27Å; V440-Y463 HydrophobicContact CG1-CD2 4.11Å; V440-Y463 HydrophobicContact CG1-CE2 4.21Å
441	L	90.1	Very high	82.2	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-66.3	-38.9	177.5	-179.8	60.4	0	0	0	112.3	S437 G438 I439 L444 K445 E472 F473 R476 I477	S437-L441 WeakPolarHBondContact O-CB 3.37Å; S437-L441 PolarHBondContact O-N 3.06Å; G438-L441 PolarHBondContact O-N 2.95Å; I439-L441 VanDerWaalsContact C-N 3.31Å; I439-L441 PolarHBondContact O-N 3.45Å; L441-L444 PolarHBondContact O-N 2.73Å; L441-K445 WeakPolarHBondContact O-CB 3.28Å; L441-K445 PolarHBondContact O-N 3.05Å; L441-E472 HydrophobicContact CD2-CB 4Å; L441-E472 HydrophobicContact CD2-CG 3.34Å; L441-F473 HydrophobicContact CD1-CB 4.31Å; L441-F473 HydrophobicContact CD1-CD2 3.81Å; L441-F473 HydrophobicContact CD1-CG 4.47Å; L441-R476 HydrophobicContact CD2-CB 4.44Å; L441-I477 HydrophobicContact CD1-CD1 3.59Å; L441-I477 HydrophobicContact CD1-CG1 4.36Å
442	E	89.7	Confident	83.3	Confident	80 Å²	80	47 Å²	47	37%	0.374	29%	0.294	S	S	.	.	H	α-helix	trans	-64.5	-46.5	175.2	-76.3	177.9	-179.2	0	0	112	G438 I439 L444 K445 E446	G438-E442 WeakPolarHBondContact O-CG 3.41Å; G438-E442 PolarHBondContact O-N 3.23Å; I439-E442 PolarHBondContact O-N 3.45Å; E442-L444 VanDerWaalsContact C-N 3.26Å; E442-L444 PolarHBondContact O-N 3.28Å; E442-K445 PolarHBondContact O-N 2.87Å; E442-K445 VanDerWaalsContact O-N 3.16Å; E442-E446 WeakPolarHBondContact O-CG 3.29Å; E442-E446 PolarHBondContact O-N 3.49Å
443	L	91.1	Very high	84.7	Confident	9 Å²	9	47.3 Å²	47.3	5%	0.047	30%	0.297	C	S	.	.	H	α-helix	trans	-57.7	-41.5	174.5	-71.5	173.6	0	0	0	111.9	L410 L411 E414 R421 I425 I439 V440 A447	L410-L443 HydrophobicContact CB-CB 4.35Å; L411-L443 HydrophobicContact CD2-CD1 3.72Å; L411-L443 HydrophobicContact CG-CD1 4.36Å; E414-L443 HydrophobicContact CB-CD1 4.19Å; E414-L443 HydrophobicContact CB-CD2 3.87Å; E414-L443 HydrophobicContact CG-CD1 4.39Å; E414-L443 HydrophobicContact CG-CD2 3.82Å; E414-L443 WeakPolarHBondContact OE2-CD2 3.36Å; R421-L443 VanDerWaalsContact CZ-CD2 3.46Å; R421-L443 VanDerWaalsContact NH2-CD2 3.28Å; I425-L443 HydrophobicContact CD1-CD1 4.36Å; I439-L443 HydrophobicContact CG2-CD1 4.22Å; I439-L443 WeakPolarHBondContact O-CG 3.38Å; I439-L443 PolarHBondContact O-N 3.37Å; V440-L443 PolarHBondContact O-N 2.94Å; L443-A447 WeakPolarHBondContact O-CB 3.46Å; L443-A447 PolarHBondContact O-N 3.15Å; L443-A447 VanDerWaalsContact O-N 3.08Å
444	L	92.9	Very high	86	Confident	0 Å²	0	51 Å²	51	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-65.8	-45	177	-171.4	62.8	0	0	0	111.1	L405 L410 V440 L441 E442 A447 M448 I460 Y463 F473	L405-L444 HydrophobicContact CB-CD1 3.85Å; L405-L444 HydrophobicContact CD1-CD1 3.96Å; L410-L444 HydrophobicContact CD1-CB 4.24Å; L410-L444 HydrophobicContact CD1-CD1 3.77Å; V440-L444 WeakPolarHBondContact O-CB 3.43Å; V440-L444 PolarHBondContact O-N 3.27Å; L441-L444 PolarHBondContact O-N 2.73Å; E442-L444 VanDerWaalsContact C-N 3.26Å; E442-L444 PolarHBondContact O-N 3.28Å; L444-A447 PolarHBondContact O-N 2.97Å; L444-M448 HydrophobicContact CG-SD 4.36Å; L444-M448 VanDerWaalsContact O-CG 3.27Å; L444-M448 WeakPolarHBondContact O-CG 3.24Å; L444-M448 PolarHBondContact O-N 3.47Å; L444-I460 HydrophobicContact CD1-CG1 4.34Å; L444-I460 HydrophobicContact CD1-CG2 4.26Å; L444-I460 HydrophobicContact CD2-CD1 4.26Å; L444-I460 HydrophobicContact CD2-CG2 4.08Å; L444-Y463 HydrophobicContact CD2-CD1 3.97Å; L444-Y463 HydrophobicContact CD2-CE1 4.19Å; L444-Y463 HydrophobicContact CD2-CG 4.24Å; L444-F473 HydrophobicContact CD2-CD2 3.94Å; L444-F473 HydrophobicContact CD2-CE2 3.64Å; L444-F473 HydrophobicContact CG-CE2 4.41Å
445	K	90.9	Very high	87.3	Confident	59 Å²	59	45.3 Å²	45.3	26%	0.257	29%	0.287	S	S	.	.	H	α-helix	trans	-60.3	-47.7	177.4	-174.2	172.4	178.2	168	0	111.7	L441 E442 A447 M448 V449 I477	L441-K445 WeakPolarHBondContact O-CB 3.28Å; L441-K445 PolarHBondContact O-N 3.05Å; E442-K445 PolarHBondContact O-N 2.87Å; E442-K445 VanDerWaalsContact O-N 3.16Å; K445-A447 VanDerWaalsContact C-N 3.33Å; K445-A447 PolarHBondContact O-N 3.23Å; K445-M448 PolarHBondContact O-N 3.48Å; K445-V449 WeakPolarHBondContact O-CB 3.37Å; K445-V449 VanDerWaalsContact O-CG2 3.26Å; K445-V449 WeakPolarHBondContact O-CG2 3.43Å; K445-V449 PolarHBondContact O-N 3.24Å; K445-I477 HydrophobicContact CB-CD1 4.01Å; K445-I477 HydrophobicContact CG-CD1 4.38Å
446	E	90.5	Very high	87.8	Confident	92 Å²	92	51.9 Å²	51.9	43%	0.43	31%	0.31	S	S	.	.	H	α-helix	trans	-58.8	-44.2	176.8	-73.8	169.3	-164.9	0	0	111.6	R421 E442 V449 A450	R421-E446 IonicContact CZ-OE1 3.34Å; R421-E446 IonicContact CZ-OE2 3.4Å; R421-E446 IonicContact NH1-OE1 3.06Å; R421-E446 PolarHBondContact NH1-OE1 3.03Å; R421-E446 IonicContact NH1-OE2 2.85Å; R421-E446 PolarHBondContact NH1-OE2 3.39Å; R421-E446 IonicContact NH2-OE1 2.79Å; R421-E446 IonicContact NH2-OE2 2.83Å; R421-E446 PolarHBondContact NH2-OE2 3.45Å; E442-E446 WeakPolarHBondContact O-CG 3.29Å; E442-E446 PolarHBondContact O-N 3.49Å; E446-V449 PolarHBondContact O-N 3.44Å; E446-A450 WeakPolarHBondContact O-CB 3.13Å; E446-A450 PolarHBondContact O-N 3.05Å
447	A	91.9	Very high	88.3	Confident	18 Å²	18	48.9 Å²	48.9	15%	0.149	29%	0.291	C	S	.	.	H	α-helix	trans	-68.1	-37.2	178.9	0	0	0	0	0	113	L405 L410 L443 L444 K445 S451	L405-A447 HydrophobicContact CD1-CB 4.27Å; L405-A447 HydrophobicContact CD2-CB 3.83Å; L410-A447 HydrophobicContact CD1-CB 4.25Å; L410-A447 HydrophobicContact CD2-CB 3.53Å; L443-A447 WeakPolarHBondContact O-CB 3.46Å; L443-A447 PolarHBondContact O-N 3.15Å; L443-A447 VanDerWaalsContact O-N 3.08Å; L444-A447 PolarHBondContact O-N 2.97Å; K445-A447 VanDerWaalsContact C-N 3.33Å; K445-A447 PolarHBondContact O-N 3.23Å; A447-S451 PolarHBondContact O-N 3.18Å; A447-S451 PolarHBondContact O-OG 3.06Å
448	M	92.1	Very high	88.9	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-61.8	-51.4	172.7	-71.7	177.6	82.6	0	0	110.1	L373 I378 L405 L444 K445 A450 S451 L452 F458 I460 F473 I477	L373-M448 HydrophobicContact CD2-CE 3.57Å; I378-M448 HydrophobicContact CD1-CE 4Å; I378-M448 HydrophobicContact CG1-CE 4.25Å; L405-M448 HydrophobicContact CD1-CB 4.35Å; L405-M448 HydrophobicContact CD1-CG 3.4Å; L444-M448 HydrophobicContact CG-SD 4.36Å; L444-M448 VanDerWaalsContact O-CG 3.27Å; L444-M448 WeakPolarHBondContact O-CG 3.24Å; L444-M448 PolarHBondContact O-N 3.47Å; K445-M448 PolarHBondContact O-N 3.48Å; M448-A450 VanDerWaalsContact C-N 3.35Å; M448-A450 PolarHBondContact O-N 2.97Å; M448-S451 CarbonylContact O-C 3.41Å; M448-S451 PolarHBondContact O-N 3.15Å; M448-L452 WeakPolarHBondContact O-CG 3.47Å; M448-L452 PolarHBondContact O-N 2.86Å; M448-F458 HydrophobicContact CB-CD1 4.41Å; M448-F458 HydrophobicContact CB-CE1 3.91Å; M448-F458 HydrophobicContact CB-CZ 3.96Å; M448-F458 HydrophobicContact CE-CB 4.17Å; M448-F458 HydrophobicContact CE-CD1 4.3Å; M448-F458 HydrophobicContact CE-CD2 3.53Å; M448-F458 HydrophobicContact CE-CE2 3.93Å; M448-F458 HydrophobicContact CE-CG 3.72Å; M448-F458 HydrophobicContact CE-CZ 4.46Å; M448-F458 HydrophobicContact CG-CD1 3.92Å; M448-F458 HydrophobicContact CG-CE1 3.94Å; M448-F458 HydrophobicContact CG-CG 4.29Å; M448-F458 HydrophobicContact CG-CZ 4.31Å; M448-F458 WeakPolarHBondContact O-CZ 3.25Å; M448-I460 HydrophobicContact CE-CD1 4.37Å; M448-I460 HydrophobicContact SD-CD1 4.22Å; M448-F473 HydrophobicContact CE-CZ 4.18Å; M448-F473 HydrophobicContact SD-CE2 4.06Å; M448-F473 HydrophobicContact SD-CZ 4.08Å; M448-I477 HydrophobicContact CE-CG2 3.87Å; M448-I477 HydrophobicContact SD-CD1 4.07Å; M448-I477 HydrophobicContact SD-CG2 3.93Å
449	V	89	Confident	89.5	Confident	57 Å²	57	44.6 Å²	44.6	35%	0.345	26%	0.256	S	S	.	.	H	α-helix	trans	-58.8	-44.6	-180	171.8	0	0	0	0	111.8	K445 E446 S451 L452	K445-V449 WeakPolarHBondContact O-CB 3.37Å; K445-V449 VanDerWaalsContact O-CG2 3.26Å; K445-V449 WeakPolarHBondContact O-CG2 3.43Å; K445-V449 PolarHBondContact O-N 3.24Å; E446-V449 PolarHBondContact O-N 3.44Å; V449-S451 PolarHBondContact O-N 2.7Å; V449-S451 VanDerWaalsContact O-N 3.1Å; V449-L452 HydrophobicContact CB-CD1 4.49Å; V449-L452 HydrophobicContact CG2-CD1 4.34Å; V449-L452 WeakPolarHBondContact O-CB 3.44Å; V449-L452 PolarHBondContact O-N 3.22Å; V449-L452 VanDerWaalsContact O-N 3.13Å
450	A	88.8	Confident	89.9	Confident	86 Å²	86	43.6 Å²	43.6	71%	0.711	25%	0.25	S	S	*	.	H	α-helix	trans	-63.4	-16.9	178.4	0	0	0	0	0	113.9	E446 M448	E446-A450 WeakPolarHBondContact O-CB 3.13Å; E446-A450 PolarHBondContact O-N 3.05Å; M448-A450 VanDerWaalsContact C-N 3.35Å; M448-A450 PolarHBondContact O-N 2.97Å
451	S	88.8	Confident	89.9	Confident	33 Å²	33	43.4 Å²	43.4	23%	0.231	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	0.8	179.8	-48.1	0	0	0	0	113.1	A447 M448 V449 G453 T455	A447-S451 PolarHBondContact O-N 3.18Å; A447-S451 PolarHBondContact O-OG 3.06Å; M448-S451 CarbonylContact O-C 3.41Å; M448-S451 PolarHBondContact O-N 3.15Å; V449-S451 PolarHBondContact O-N 2.7Å; V449-S451 VanDerWaalsContact O-N 3.1Å; S451-G453 PolarHBondContact O-N 3.01Å; S451-T455 WeakPolarHBondContact O-CG2 3.5Å
452	L	82.4	Confident	89.4	Confident	45 Å²	45	44 Å²	44	24%	0.236	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	116.4	176	-69.4	173.2	0	0	0	109.3	L373 M448 V449 F458	L373-L452 HydrophobicContact CD1-CD1 3.88Å; L373-L452 HydrophobicContact CG-CD1 4Å; L373-L452 HydrophobicContact CG-CD2 4.05Å; M448-L452 WeakPolarHBondContact O-CG 3.47Å; M448-L452 PolarHBondContact O-N 2.86Å; V449-L452 HydrophobicContact CB-CD1 4.49Å; V449-L452 HydrophobicContact CG2-CD1 4.34Å; V449-L452 WeakPolarHBondContact O-CB 3.44Å; V449-L452 PolarHBondContact O-N 3.22Å; V449-L452 VanDerWaalsContact O-N 3.13Å; L452-F458 HydrophobicContact CD2-CE2 3.85Å; L452-F458 HydrophobicContact CD2-CZ 3.76Å; L452-F458 HydrophobicContact CG-CZ 4.38Å
453	G	78.5	Confident	89.4	Confident	75 Å²	75	40.4 Å²	40.4	77%	0.773	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	130.2	-38.6	-177.3	0	0	0	0	0	112.9	S451	S451-G453 PolarHBondContact O-N 3.01Å
454	D	84.4	Confident	89.4	Confident	168 Å²	168	40.3 Å²	40.3	90%	0.898	24%	0.239	S	C	*	.	S	Bend	trans	-113.5	11.1	-174.2	-68.3	-27.7	0	0	0	113.4
455	T	89.4	Confident	89.1	Confident	19 Å²	19	47.1 Å²	47.1	12%	0.117	26%	0.264	C	S	.	.			trans	-118.1	142	-174.3	-166.6	0	0	0	0	113.2	T403 S451 G457 F458	T403-T455 WeakPolarHBondContact CB-OG1 3.5Å; T403-T455 PolarHBondContact N-OG1 3.08Å; T403-T455 WeakPolarHBondContact OG1-CB 3.27Å; T403-T455 PolarHBondContact OG1-OG1 2.98Å; S451-T455 WeakPolarHBondContact O-CG2 3.5Å; T455-G457 PolarHBondContact OG1-N 3.15Å; T455-G457 PolarHBondContact OG1-O 3.26Å; T455-F458 HydrophobicContact CG2-CE1 4.17Å; T455-F458 HydrophobicContact CG2-CE2 4.09Å; T455-F458 HydrophobicContact CG2-CZ 3.76Å
456	R	88.5	Confident	88.9	Confident	157 Å²	157	48.4 Å²	48.4	59%	0.592	27%	0.272	S	S	*	.	S	Bend	trans	-87.6	-6.1	168.9	-64.5	-162	-71.7	-168.5	-4.8	113.2	K399 Y400 G401 F402	K399-R456 PolarHBondContact O-NH2 3.49Å; Y400-R456 PolarHBondContact O-NE 3.41Å; Y400-R456 PolarHBondContact O-NH2 2.95Å; G401-R456 PolarHBondContact O-N 2.96Å; F402-R456 HydrophobicContact CD1-CB 4.41Å
457	G	92.6	Very high	88.9	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	156.5	165	-177.5	0	0	0	0	0	112.2	K377 F402 T403 T455	K377-G457 CarbonylContact O-C 3.57Å; K377-G457 WeakPolarHBondContact O-CA 3.32Å; F402-G457 CarbonylContact C-O 3.59Å; F402-G457 VanDerWaalsContact CA-O 3.23Å; F402-G457 WeakPolarHBondContact CA-O 3.43Å; F402-G457 WeakPolarHBondContact CB-O 3.38Å; T403-G457 PolarHBondContact N-O 3.46Å; T455-G457 PolarHBondContact OG1-N 3.15Å; T455-G457 PolarHBondContact OG1-O 3.26Å
458	F	95.3	Very high	88.7	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	129.3	-175.9	-64.7	-77.4	0	0	0	111.2	L373 C376 K377 I378 I379 T403 L405 M448 L452 T455 I460	L373-F458 HydrophobicContact CD2-CE2 4.39Å; C376-F458 HydrophobicContact CB-CD2 4.15Å; C376-F458 HydrophobicContact CB-CE2 3.99Å; K377-F458 PolarHBondContact O-N 3.06Å; I378-F458 HydrophobicContact CG1-CD2 4.45Å; I379-F458 PolarHBondContact N-O 3.27Å; T403-F458 HydrophobicContact CG2-CD1 4.49Å; L405-F458 HydrophobicContact CD1-CD1 3.78Å; L405-F458 HydrophobicContact CD1-CE1 4.25Å; L405-F458 HydrophobicContact CG-CD1 4.48Å; M448-F458 HydrophobicContact CB-CD1 4.41Å; M448-F458 HydrophobicContact CB-CE1 3.91Å; M448-F458 HydrophobicContact CB-CZ 3.96Å; M448-F458 HydrophobicContact CE-CB 4.17Å; M448-F458 HydrophobicContact CE-CD1 4.3Å; M448-F458 HydrophobicContact CE-CD2 3.53Å; M448-F458 HydrophobicContact CE-CE2 3.93Å; M448-F458 HydrophobicContact CE-CG 3.72Å; M448-F458 HydrophobicContact CE-CZ 4.46Å; M448-F458 HydrophobicContact CG-CD1 3.92Å; M448-F458 HydrophobicContact CG-CE1 3.94Å; M448-F458 HydrophobicContact CG-CG 4.29Å; M448-F458 HydrophobicContact CG-CZ 4.31Å; M448-F458 WeakPolarHBondContact O-CZ 3.25Å; L452-F458 HydrophobicContact CD2-CE2 3.85Å; L452-F458 HydrophobicContact CD2-CZ 3.76Å; L452-F458 HydrophobicContact CG-CZ 4.38Å; T455-F458 HydrophobicContact CG2-CE1 4.17Å; T455-F458 HydrophobicContact CG2-CE2 4.09Å; T455-F458 HydrophobicContact CG2-CZ 3.76Å; F458-I460 HydrophobicContact CB-CD1 4.48Å; F458-I460 HydrophobicContact CB-CG1 4.38Å
459	L	95.5	Very high	88.6	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	105	170.7	-168.5	69.1	0	0	0	108.7	I379 M381 C393 L396 F402 T403 H404 L405	I379-L459 HydrophobicContact CB-CD1 3.9Å; I379-L459 HydrophobicContact CG2-CD1 3.84Å; M381-L459 HydrophobicContact CG-CD1 3.36Å; M381-L459 HydrophobicContact CG-CD2 4.29Å; M381-L459 HydrophobicContact CG-CG 3.76Å; M381-L459 HydrophobicContact SD-CD1 3.88Å; C393-L459 HydrophobicContact CB-CD2 3.66Å; C393-L459 VanDerWaalsContact SG-CD2 3.53Å; L396-L459 HydrophobicContact CB-CD2 4.06Å; L396-L459 HydrophobicContact CD1-CD1 4.47Å; L396-L459 HydrophobicContact CD1-CD2 4.03Å; F402-L459 HydrophobicContact CB-CB 4.33Å; T403-L459 PolarHBondContact O-N 2.97Å; H404-L459 WeakPolarHBondContact CA-O 3.29Å; L405-L459 PolarHBondContact N-O 3.49Å
460	I	95.3	Very high	88.7	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	112.6	-172.8	-64.1	167.9	0	0	0	109.1	I378 I379 F380 M381 L405 L444 M448 F458 Y463 F473	I378-I460 HydrophobicContact CG2-CD1 3.9Å; I379-I460 PolarHBondContact O-N 2.94Å; F380-I460 HydrophobicContact CD1-CB 3.9Å; F380-I460 HydrophobicContact CD1-CD1 4.15Å; F380-I460 HydrophobicContact CD1-CG2 4.28Å; F380-I460 HydrophobicContact CE1-CB 4.21Å; F380-I460 HydrophobicContact CE1-CD1 3.69Å; F380-I460 HydrophobicContact CE1-CG2 4.36Å; M381-I460 PolarHBondContact N-O 3.4Å; L405-I460 WeakPolarHBondContact O-CA 3.43Å; L444-I460 HydrophobicContact CD1-CG1 4.34Å; L444-I460 HydrophobicContact CD1-CG2 4.26Å; L444-I460 HydrophobicContact CD2-CD1 4.26Å; L444-I460 HydrophobicContact CD2-CG2 4.08Å; M448-I460 HydrophobicContact CE-CD1 4.37Å; M448-I460 HydrophobicContact SD-CD1 4.22Å; F458-I460 HydrophobicContact CB-CD1 4.48Å; F458-I460 HydrophobicContact CB-CG1 4.38Å; I460-Y463 HydrophobicContact CG2-CD1 4.34Å; I460-Y463 HydrophobicContact CG2-CG 4.47Å; I460-F473 HydrophobicContact CD1-CE2 3.76Å; I460-F473 HydrophobicContact CD1-CZ 3.59Å
461	D	90.9	Very high	88.8	Confident	11 Å²	11	48 Å²	48	6%	0.059	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	129.2	-178.3	174.6	34.5	0	0	0	112	K389 H404 L405 S406 T407 Y463	K389-D461 VanDerWaalsContact CD-OD1 3.22Å; K389-D461 WeakPolarHBondContact CD-OD1 3.38Å; K389-D461 WeakPolarHBondContact CE-OD1 3.4Å; H404-D461 WeakPolarHBondContact NE2-CB 3.34Å; H404-D461 IonicContact NE2-OD2 3.56Å; L405-D461 PolarHBondContact O-N 2.91Å; S406-D461 PolarHBondContact OG-OD2 3.16Å; T407-D461 PolarHBondContact N-O 3.46Å; D461-Y463 VanDerWaalsContact C-N 3.32Å; D461-Y463 PolarHBondContact O-N 3.3Å
462	G	79.4	Confident	88.8	Confident	15 Å²	15	48.9 Å²	48.9	16%	0.155	25%	0.25	C	C	.	.	S	Bend	trans	75.1	22.6	172.4	0	0	0	0	0	114	M381 T407 R465	M381-G462 PolarHBondContact O-N 3.06Å; T407-G462 PolarHBondContact OG1-O 2.93Å; G462-R465 WeakPolarHBondContact O-CG 3.24Å; G462-R465 PolarHBondContact O-NE 3.44Å
463	Y	89.6	Confident	89.2	Confident	3 Å²	3	46.8 Å²	46.8	1%	0.012	24%	0.238	C	C	.	.			trans	-144.5	144.2	172.7	-173	-85.1	0	0	0	109.8	T407 V440 L444 I460 D461 Q469 F473	T407-Y463 HydrophobicContact CG2-CD2 3.93Å; T407-Y463 HydrophobicContact CG2-CG 4.13Å; V440-Y463 HydrophobicContact CG1-CD2 4.11Å; V440-Y463 HydrophobicContact CG1-CE2 4.21Å; L444-Y463 HydrophobicContact CD2-CD1 3.97Å; L444-Y463 HydrophobicContact CD2-CE1 4.19Å; L444-Y463 HydrophobicContact CD2-CG 4.24Å; I460-Y463 HydrophobicContact CG2-CD1 4.34Å; I460-Y463 HydrophobicContact CG2-CG 4.47Å; D461-Y463 VanDerWaalsContact C-N 3.32Å; D461-Y463 PolarHBondContact O-N 3.3Å; Y463-Q469 HydrophobicContact CE1-CB 4.47Å; Y463-Q469 HydrophobicContact CE2-CB 3.88Å; Y463-Q469 HydrophobicContact CE2-CG 4.15Å; Y463-Q469 PolarHBondContact OH-O 2.87Å; Y463-F473 HydrophobicContact CD1-CD2 4.34Å; Y463-F473 HydrophobicContact CE1-CB 3.89Å; Y463-F473 AromaticContact CE1-CD2 3.67Å; Y463-F473 HydrophobicContact CE1-CD2 3.67Å; Y463-F473 HydrophobicContact CE1-CG 4.06Å
464	P	91.4	Very high	89.8	Confident	7 Å²	7	44 Å²	44	5%	0.045	21%	0.21	C	C	.	.			cis	-77.8	154.5	-6.3	29.3	-31.5	0	0	0	112.4	F380 Q469 V528 Y532	F380-P464 VanDerWaalsContact CD2-CD 3.41Å; F380-P464 HydrophobicContact CD2-CG 4.25Å; F380-P464 HydrophobicContact CE2-CG 4.08Å; P464-Q469 HydrophobicContact CB-CB 3.66Å; P464-V528 HydrophobicContact CG-CG1 3.85Å; P464-Y532 HydrophobicContact CG-CE2 3.73Å
465	R	85.1	Confident	89.9	Confident	143 Å²	143	43.1 Å²	43.1	54%	0.54	19%	0.194	S	C	.	.	S	Bend	trans	-103.5	-8.1	174.4	-62.3	-170.5	179	-154.4	4.1	113.4	G462 A524	G462-R465 WeakPolarHBondContact O-CG 3.24Å; G462-R465 PolarHBondContact O-NE 3.44Å; R465-A524 HydrophobicContact CB-CB 4.49Å; R465-A524 CarbonylContact O-C 3.54Å; R465-A524 WeakPolarHBondContact O-CA 3.47Å; R465-A524 WeakPolarHBondContact O-CB 3.4Å
466	E	87.2	Confident	89.6	Confident	87 Å²	87	45.2 Å²	45.2	41%	0.407	20%	0.2	S	C	.	.	S	Bend	trans	-143.4	153.2	177.7	-68.5	168.7	-146.4	0	0	108.9	K468 Q469 G470 V528	E466-K468 VanDerWaalsContact C-N 3.3Å; E466-K468 PolarHBondContact O-N 2.83Å; E466-Q469 HydrophobicContact CB-CG 4.22Å; E466-Q469 WeakPolarHBondContact O-CB 3.36Å; E466-Q469 PolarHBondContact O-N 3.24Å; E466-Q469 VanDerWaalsContact O-N 3.12Å; E466-G470 PolarHBondContact O-N 3.39Å; E466-V528 VanDerWaalsContact C-CG2 3.49Å
467	V	89.9	Confident	89.6	Confident	39 Å²	39	38.8 Å²	38.8	24%	0.236	18%	0.177	C	C	.	.	H	α-helix	trans	-58.3	-44.5	179.8	176.8	0	0	0	0	111	Q469 G470 E471 P527 V528 Y531	V467-Q469 PolarHBondContact O-N 2.76Å; V467-G470 WeakPolarHBondContact O-CA 3.28Å; V467-G470 PolarHBondContact O-N 3.37Å; V467-E471 HydrophobicContact CG1-CG 4.3Å; V467-E471 PolarHBondContact O-N 2.69Å; V467-P527 HydrophobicContact CG2-CB 3.89Å; V467-V528 HydrophobicContact CG2-CG2 4.47Å; V467-Y531 HydrophobicContact CG1-CD1 4.41Å; V467-Y531 HydrophobicContact CG1-CD2 3.54Å; V467-Y531 HydrophobicContact CG1-CE2 3.97Å; V467-Y531 HydrophobicContact CG1-CG 3.8Å
468	K	88.9	Confident	89.3	Confident	114 Å²	114	39.7 Å²	39.7	50%	0.496	19%	0.187	S	C	.	.	H	α-helix	trans	-56.5	-35.1	177.6	-67.8	-175.3	179.8	175.6	0	113.2	D232 E466 E471 E472	D232-K468 IonicContact OD1-NZ 3.8Å; D232-K468 PolarHBondContact OD1-NZ 2.89Å; D232-K468 IonicContact OD2-NZ 3.07Å; E466-K468 VanDerWaalsContact C-N 3.3Å; E466-K468 PolarHBondContact O-N 2.83Å; K468-E471 PolarHBondContact O-N 3.13Å; K468-E472 WeakPolarHBondContact O-CB 3.45Å; K468-E472 PolarHBondContact O-N 3.4Å
469	Q	90	Very high	89.1	Confident	15 Å²	15	45.1 Å²	45.1	7%	0.07	22%	0.216	C	C	.	.	H	α-helix	trans	-65.5	-42.3	175.1	-70.5	178.8	1.4	0	0	111.1	Y463 P464 E466 V467 E472 F473	Y463-Q469 HydrophobicContact CE1-CB 4.47Å; Y463-Q469 HydrophobicContact CE2-CB 3.88Å; Y463-Q469 HydrophobicContact CE2-CG 4.15Å; Y463-Q469 PolarHBondContact OH-O 2.87Å; P464-Q469 HydrophobicContact CB-CB 3.66Å; E466-Q469 HydrophobicContact CB-CG 4.22Å; E466-Q469 WeakPolarHBondContact O-CB 3.36Å; E466-Q469 PolarHBondContact O-N 3.24Å; E466-Q469 VanDerWaalsContact O-N 3.12Å; V467-Q469 PolarHBondContact O-N 2.76Å; Q469-E472 PolarHBondContact O-N 3.46Å; Q469-F473 WeakPolarHBondContact O-CB 3.22Å; Q469-F473 PolarHBondContact O-N 3.31Å
470	G	91.1	Very high	89	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.01	22%	0.217	C	C	.	.	H	α-helix	trans	-62	-45.6	174.6	0	0	0	0	0	112.7	E466 V467 E472 F473 G474 Y532	E466-G470 PolarHBondContact O-N 3.39Å; V467-G470 WeakPolarHBondContact O-CA 3.28Å; V467-G470 PolarHBondContact O-N 3.37Å; G470-E472 PolarHBondContact O-N 3.26Å; G470-F473 PolarHBondContact O-N 3.48Å; G470-G474 PolarHBondContact O-N 3.38Å; G470-Y532 WeakPolarHBondContact CA-OH 3.47Å
471	E	89.8	Confident	89	Confident	77 Å²	77	48.4 Å²	48.4	36%	0.36	23%	0.231	S	C	.	.	H	α-helix	trans	-61.4	-43.2	176.9	-66.7	174.9	150.8	0	0	112.4	V467 K468 G474 R475 Y531	V467-E471 HydrophobicContact CG1-CG 4.3Å; V467-E471 PolarHBondContact O-N 2.69Å; K468-E471 PolarHBondContact O-N 3.13Å; E471-G474 PolarHBondContact O-N 2.92Å; E471-R475 WeakPolarHBondContact O-CG 3.41Å; E471-R475 PolarHBondContact O-N 2.93Å; E471-Y531 HydrophobicContact CG-CE2 4.19Å
472	E	88.4	Confident	89.2	Confident	51 Å²	51	47.9 Å²	47.9	24%	0.238	23%	0.229	C	C	.	.	H	α-helix	trans	-68.3	-37.5	178.2	-164.8	66.1	-128.7	0	0	111.8	L441 K468 Q469 G470 R475 R476	L441-E472 HydrophobicContact CD2-CB 4Å; L441-E472 HydrophobicContact CD2-CG 3.34Å; K468-E472 WeakPolarHBondContact O-CB 3.45Å; K468-E472 PolarHBondContact O-N 3.4Å; Q469-E472 PolarHBondContact O-N 3.46Å; G470-E472 PolarHBondContact O-N 3.26Å; E472-R475 PolarHBondContact O-N 3.47Å; E472-R475 IonicContact OE1-CZ 2.86Å; E472-R475 IonicContact OE1-NH1 2.59Å; E472-R475 PolarHBondContact OE1-NH1 2.66Å; E472-R475 IonicContact OE2-CZ 3.78Å; E472-R475 IonicContact OE2-NH1 3.97Å; E472-R475 PolarHBondContact OE2-NH1 3.06Å; E472-R475 IonicContact OE2-NH2 3.71Å; E472-R475 PolarHBondContact OE2-NH2 3.06Å; E472-R476 HydrophobicContact CG-CG 4.38Å; E472-R476 WeakPolarHBondContact O-CB 3.17Å; E472-R476 PolarHBondContact O-N 3.04Å; E472-R476 WeakPolarHBondContact OE1-CD 3.45Å; E472-R476 VanDerWaalsContact OE1-CG 3.26Å; E472-R476 WeakPolarHBondContact OE1-CG 3.09Å
473	F	92.6	Very high	90	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-62.3	-46.8	173.8	-173.6	-80.9	0	0	0	111.4	I378 F380 L441 L444 M448 I460 Y463 Q469 G470 R475 R476 I477 G478	I378-F473 HydrophobicContact CD1-CE1 4.26Å; I378-F473 HydrophobicContact CD1-CZ 4.37Å; I378-F473 HydrophobicContact CG2-CE1 4.02Å; I378-F473 HydrophobicContact CG2-CZ 3.99Å; F380-F473 HydrophobicContact CE1-CD1 4.18Å; F380-F473 AromaticContact CE1-CE1 3.8Å; F380-F473 HydrophobicContact CE1-CE1 3.8Å; F380-F473 HydrophobicContact CE1-CE2 4.26Å; F380-F473 AromaticContact CE1-CZ 3.86Å; F380-F473 HydrophobicContact CE1-CZ 3.86Å; F380-F473 AromaticContact CZ-CD1 3.51Å; F380-F473 HydrophobicContact CZ-CD1 3.51Å; F380-F473 HydrophobicContact CZ-CD2 4.28Å; F380-F473 AromaticContact CZ-CE1 3.59Å; F380-F473 HydrophobicContact CZ-CE1 3.59Å; F380-F473 HydrophobicContact CZ-CE2 4.35Å; F380-F473 AromaticContact CZ-CG 3.88Å; F380-F473 HydrophobicContact CZ-CG 3.88Å; F380-F473 HydrophobicContact CZ-CZ 4.03Å; L441-F473 HydrophobicContact CD1-CB 4.31Å; L441-F473 HydrophobicContact CD1-CD2 3.81Å; L441-F473 HydrophobicContact CD1-CG 4.47Å; L444-F473 HydrophobicContact CD2-CD2 3.94Å; L444-F473 HydrophobicContact CD2-CE2 3.64Å; L444-F473 HydrophobicContact CG-CE2 4.41Å; M448-F473 HydrophobicContact CE-CZ 4.18Å; M448-F473 HydrophobicContact SD-CE2 4.06Å; M448-F473 HydrophobicContact SD-CZ 4.08Å; I460-F473 HydrophobicContact CD1-CE2 3.76Å; I460-F473 HydrophobicContact CD1-CZ 3.59Å; Y463-F473 HydrophobicContact CD1-CD2 4.34Å; Y463-F473 HydrophobicContact CE1-CB 3.89Å; Y463-F473 AromaticContact CE1-CD2 3.67Å; Y463-F473 HydrophobicContact CE1-CD2 3.67Å; Y463-F473 HydrophobicContact CE1-CG 4.06Å; Q469-F473 WeakPolarHBondContact O-CB 3.22Å; Q469-F473 PolarHBondContact O-N 3.31Å; G470-F473 PolarHBondContact O-N 3.48Å; F473-R475 VanDerWaalsContact C-N 3.31Å; F473-R475 PolarHBondContact O-N 3.23Å; F473-R476 PolarHBondContact O-N 2.64Å; F473-I477 HydrophobicContact CD1-CB 4.38Å; F473-I477 HydrophobicContact CD2-CB 4.44Å; F473-I477 HydrophobicContact CD2-CD1 3.74Å; F473-I477 HydrophobicContact CD2-CG1 4.49Å; F473-I477 HydrophobicContact CE1-CB 4.21Å; F473-I477 HydrophobicContact CE1-CG2 4.11Å; F473-I477 HydrophobicContact CE2-CB 4.25Å; F473-I477 HydrophobicContact CE2-CD1 3.56Å; F473-I477 HydrophobicContact CE2-CG1 4.44Å; F473-I477 HydrophobicContact CE2-CG2 4.19Å; F473-I477 HydrophobicContact CG-CB 4.5Å; F473-I477 HydrophobicContact CZ-CB 4.13Å; F473-I477 HydrophobicContact CZ-CD1 4.23Å; F473-I477 HydrophobicContact CZ-CG2 3.77Å; F473-I477 WeakPolarHBondContact O-CA 3.34Å; F473-I477 WeakPolarHBondContact O-CB 3.44Å; F473-I477 PolarHBondContact O-N 3.15Å; F473-G478 WeakPolarHBondContact CD1-O 3.41Å; F473-G478 WeakPolarHBondContact CE1-O 3.45Å; F473-G478 PolarHBondContact O-N 3.11Å
474	G	89.4	Confident	90.3	Very high	18 Å²	18	47 Å²	47	19%	0.186	22%	0.221	C	C	.	.	H	α-helix	trans	-58	-42.5	175.2	0	0	0	0	0	112.3	G470 E471 G478	G470-G474 PolarHBondContact O-N 3.38Å; E471-G474 PolarHBondContact O-N 2.92Å; G474-G478 PolarHBondContact O-N 3.46Å
475	R	87.2	Confident	90.4	Very high	149 Å²	149	46.9 Å²	46.9	56%	0.562	22%	0.22	S	C	*	.	H	α-helix	trans	-68.7	-41.5	178.3	-76.7	-171.2	-81.1	116.6	-3.8	114.1	E471 E472 F473	E471-R475 WeakPolarHBondContact O-CG 3.41Å; E471-R475 PolarHBondContact O-N 2.93Å; E472-R475 PolarHBondContact O-N 3.47Å; E472-R475 IonicContact OE1-CZ 2.86Å; E472-R475 IonicContact OE1-NH1 2.59Å; E472-R475 PolarHBondContact OE1-NH1 2.66Å; E472-R475 IonicContact OE2-CZ 3.78Å; E472-R475 IonicContact OE2-NH1 3.97Å; E472-R475 PolarHBondContact OE2-NH1 3.06Å; E472-R475 IonicContact OE2-NH2 3.71Å; E472-R475 PolarHBondContact OE2-NH2 3.06Å; F473-R475 VanDerWaalsContact C-N 3.31Å; F473-R475 PolarHBondContact O-N 3.23Å
476	R	83.3	Confident	90.9	Very high	63 Å²	63	40.2 Å²	40.2	24%	0.238	20%	0.195	C	C	.	.	H	α-helix	trans	-99.3	-20.1	-170.1	-65.3	-172.3	73.9	-164.4	7.5	115	L441 E472 F473	L441-R476 HydrophobicContact CD2-CB 4.44Å; E472-R476 HydrophobicContact CG-CG 4.38Å; E472-R476 WeakPolarHBondContact O-CB 3.17Å; E472-R476 PolarHBondContact O-N 3.04Å; E472-R476 WeakPolarHBondContact OE1-CD 3.45Å; E472-R476 VanDerWaalsContact OE1-CG 3.26Å; E472-R476 WeakPolarHBondContact OE1-CG 3.09Å; F473-R476 PolarHBondContact O-N 2.64Å
477	I	87.9	Confident	91.2	Very high	21 Å²	21	40.9 Å²	40.9	11%	0.108	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.8	-57.7	-175.1	-58.2	-178.7	0	0	0	109.9	L373 I378 L441 K445 M448 F473	L373-I477 HydrophobicContact CD2-CG2 3.85Å; I378-I477 HydrophobicContact CD1-CG2 4.47Å; L441-I477 HydrophobicContact CD1-CD1 3.59Å; L441-I477 HydrophobicContact CD1-CG1 4.36Å; K445-I477 HydrophobicContact CB-CD1 4.01Å; K445-I477 HydrophobicContact CG-CD1 4.38Å; M448-I477 HydrophobicContact CE-CG2 3.87Å; M448-I477 HydrophobicContact SD-CD1 4.07Å; M448-I477 HydrophobicContact SD-CG2 3.93Å; F473-I477 HydrophobicContact CD1-CB 4.38Å; F473-I477 HydrophobicContact CD2-CB 4.44Å; F473-I477 HydrophobicContact CD2-CD1 3.74Å; F473-I477 HydrophobicContact CD2-CG1 4.49Å; F473-I477 HydrophobicContact CE1-CB 4.21Å; F473-I477 HydrophobicContact CE1-CG2 4.11Å; F473-I477 HydrophobicContact CE2-CB 4.25Å; F473-I477 HydrophobicContact CE2-CD1 3.56Å; F473-I477 HydrophobicContact CE2-CG1 4.44Å; F473-I477 HydrophobicContact CE2-CG2 4.19Å; F473-I477 HydrophobicContact CG-CB 4.5Å; F473-I477 HydrophobicContact CZ-CB 4.13Å; F473-I477 HydrophobicContact CZ-CD1 4.23Å; F473-I477 HydrophobicContact CZ-CG2 3.77Å; F473-I477 WeakPolarHBondContact O-CA 3.34Å; F473-I477 WeakPolarHBondContact O-CB 3.44Å; F473-I477 PolarHBondContact O-N 3.15Å
478	G	88	Confident	91.4	Very high	20 Å²	20	39.3 Å²	39.3	21%	0.206	19%	0.192	C	C	.	.			trans	148.1	160.9	179.4	0	0	0	0	0	112.1	F473 G474	F473-G478 WeakPolarHBondContact CD1-O 3.41Å; F473-G478 WeakPolarHBondContact CE1-O 3.45Å; F473-G478 PolarHBondContact O-N 3.11Å; G474-G478 PolarHBondContact O-N 3.46Å
479	D	90.4	Very high	91.6	Very high	113 Å²	113	35.9 Å²	35.9	60%	0.604	18%	0.182	S	C	*	.			trans	-71.3	145.2	-178	-66.5	-50.6	0	0	0	112.3
480	P	93.9	Very high	91.7	Very high	3 Å²	3	37 Å²	37	2%	0.019	19%	0.194	C	C	.	.			trans	-66.8	137.3	172.9	30.2	-36	0	0	0	110.5	I378 F380 L482 V483 Y532 T536	I378-P480 HydrophobicContact CG2-CB 4.44Å; F380-P480 HydrophobicContact CD1-CB 4.13Å; F380-P480 HydrophobicContact CD2-CB 3.75Å; F380-P480 HydrophobicContact CD2-CG 3.71Å; F380-P480 HydrophobicContact CE1-CB 4.18Å; F380-P480 HydrophobicContact CE2-CB 3.78Å; F380-P480 HydrophobicContact CE2-CG 3.54Å; F380-P480 HydrophobicContact CG-CB 3.95Å; F380-P480 HydrophobicContact CG-CG 4.41Å; F380-P480 HydrophobicContact CZ-CB 4.03Å; F380-P480 HydrophobicContact CZ-CG 4.14Å; P480-L482 VanDerWaalsContact C-N 3.33Å; P480-V483 HydrophobicContact CB-CG2 4.3Å; P480-V483 HydrophobicContact CG-CG2 4.04Å; P480-Y532 HydrophobicContact CG-CD1 4.15Å; P480-Y532 HydrophobicContact CG-CE1 3.54Å; P480-T536 HydrophobicContact CG-CG2 4.34Å; P480-T536 PolarHBondContact O-OG1 3.41Å
481	H	94.3	Very high	91.8	Very high	67 Å²	67	42.7 Å²	42.7	31%	0.31	22%	0.224	S	C	.	.	S	Bend	trans	-74.3	-29.9	175.3	-66.9	74.8	0	0	0	111.7	C376 K377 I378 I561	C376-H481 PolarHBondContact O-CE1 2.93Å; C376-H481 VanDerWaalsContact O-CE1 3.26Å; K377-H481 HydrophobicContact CD-CB 4.46Å; I378-H481 PolarHBondContact N-ND1 3.33Å; I378-H481 VanDerWaalsContact N-ND1 3.2Å; I378-H481 PolarHBondContact O-N 3.14Å; H481-I561 HydrophobicContact CB-CD1 4.45Å
482	L	94.8	Very high	92	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	138.6	-179.9	175.1	64.1	0	0	0	110.5	I378 I379 F380 P480 I484 Q537 H539 I558 I561	I378-L482 PolarHBondContact O-N 2.98Å; I379-L482 VanDerWaalsContact CA-O 3.31Å; I379-L482 WeakPolarHBondContact CA-O 3.44Å; I379-L482 HydrophobicContact CG1-CB 4.38Å; I379-L482 HydrophobicContact CG2-CB 4.28Å; I379-L482 HydrophobicContact CG2-CD2 4.27Å; I379-L482 HydrophobicContact CG2-CG 4.28Å; F380-L482 PolarHBondContact N-O 3.48Å; P480-L482 VanDerWaalsContact C-N 3.33Å; L482-I484 HydrophobicContact CD1-CG1 4.49Å; L482-I484 HydrophobicContact CD2-CD1 3.85Å; L482-I484 HydrophobicContact CD2-CG1 3.83Å; L482-I484 HydrophobicContact CG-CD1 4.42Å; L482-I484 HydrophobicContact CG-CG1 3.89Å; L482-Q537 HydrophobicContact CD1-CB 4.21Å; L482-Q537 HydrophobicContact CD1-CG 4.04Å; L482-Q537 WeakPolarHBondContact CD1-O 3.36Å; L482-H539 VanDerWaalsContact CD1-CD2 3.5Å; L482-H539 WeakPolarHBondContact CD1-CD2 3.47Å; L482-I558 HydrophobicContact CD2-CG1 4.11Å; L482-I561 HydrophobicContact CB-CD1 3.84Å; L482-I561 HydrophobicContact CB-CG2 4.32Å; L482-I561 HydrophobicContact CD2-CD1 4.07Å; L482-I561 HydrophobicContact CD2-CG1 4.34Å
483	V	96.1	Very high	92.2	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	124	169.9	-179.1	0	0	0	0	108.6	F380 I382 P480 Y532 T536 Q537 L538 H539	F380-V483 HydrophobicContact CB-CG1 4.38Å; F380-V483 HydrophobicContact CB-CG2 4.19Å; F380-V483 HydrophobicContact CD2-CG2 4.18Å; I382-V483 HydrophobicContact CD1-CG1 3.64Å; I382-V483 HydrophobicContact CG1-CG1 4.23Å; P480-V483 HydrophobicContact CB-CG2 4.3Å; P480-V483 HydrophobicContact CG-CG2 4.04Å; V483-Y532 HydrophobicContact CG2-CD1 3.96Å; V483-Y532 HydrophobicContact CG2-CD2 4.21Å; V483-Y532 HydrophobicContact CG2-CG 3.79Å; V483-T536 HydrophobicContact CB-CG2 4.36Å; V483-T536 HydrophobicContact CG2-CG2 3.55Å; V483-Q537 PolarHBondContact N-O 3.39Å; V483-L538 HydrophobicContact CB-CB 4.45Å; V483-L538 HydrophobicContact CB-CD1 4.2Å; V483-L538 HydrophobicContact CB-CG 4.25Å; V483-L538 HydrophobicContact CG1-CD1 3.9Å; V483-L538 HydrophobicContact CG1-CG 4.26Å; V483-L538 CarbonylContact O-C 3.51Å; V483-L538 VanDerWaalsContact O-CA 3.29Å; V483-L538 WeakPolarHBondContact O-CA 3.41Å; V483-H539 PolarHBondContact O-N 3.43Å
484	I	95.9	Very high	92.1	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	123.2	178.5	-63.2	-179.8	0	0	0	108.3	I379 F380 M381 I382 L482 H539 I541 L554 I558	I379-I484 HydrophobicContact CG2-CD1 3.91Å; I379-I484 HydrophobicContact CG2-CG1 4.16Å; F380-I484 PolarHBondContact O-N 3.41Å; M381-I484 HydrophobicContact CE-CB 4.46Å; M381-I484 HydrophobicContact CE-CG2 3.99Å; M381-I484 HydrophobicContact SD-CB 3.61Å; M381-I484 HydrophobicContact SD-CD1 3.79Å; M381-I484 HydrophobicContact SD-CG1 4.18Å; M381-I484 HydrophobicContact SD-CG2 3.77Å; I382-I484 PolarHBondContact N-O 2.95Å; L482-I484 HydrophobicContact CD1-CG1 4.49Å; L482-I484 HydrophobicContact CD2-CD1 3.85Å; L482-I484 HydrophobicContact CD2-CG1 3.83Å; L482-I484 HydrophobicContact CG-CD1 4.42Å; L482-I484 HydrophobicContact CG-CG1 3.89Å; I484-H539 WeakPolarHBondContact CA-O 3.48Å; I484-I541 HydrophobicContact CG2-CG1 3.96Å; I484-L554 HydrophobicContact CD1-CD2 4.01Å; I484-L554 HydrophobicContact CG2-CD2 3.34Å; I484-I558 HydrophobicContact CD1-CD1 4.07Å; I484-I558 HydrophobicContact CD1-CG1 3.84Å
485	C	94.6	Very high	92.1	Very high	4 Å²	4	42.7 Å²	42.7	3%	0.027	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	113.1	176.2	-59.9	0	0	0	0	109.5	I382 D487 H539 K540 I541	I382-C485 CarbonylContact O-C 3.58Å; I382-C485 WeakPolarHBondContact O-CA 3.23Å; C485-D487 PolarHBondContact O-N 3.35Å; C485-D487 VanDerWaalsContact O-N 3.14Å; C485-H539 PolarHBondContact N-O 2.9Å; C485-K540 HydrophobicContact CB-CG 4.12Å; C485-K540 CarbonylContact O-C 3.59Å; C485-K540 WeakPolarHBondContact O-CA 3.47Å; C485-I541 PolarHBondContact O-N 3.37Å
486	M	94.5	Very high	92.2	Very high	2 Å²	2	39 Å²	39	1%	0.01	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	94.7	172.1	-63.8	-160.2	72.2	0	0	109.6	M381 I382 S387 K389 Q392 C488 A543 V550	M381-M486 HydrophobicContact CE-CG 4.18Å; M381-M486 HydrophobicContact CE-SD 4.03Å; I382-M486 PolarHBondContact O-N 2.64Å; S387-M486 WeakPolarHBondContact O-CE 2.98Å; K389-M486 WeakPolarHBondContact CA-SD 3.34Å; K389-M486 HydrophobicContact CB-SD 3.56Å; K389-M486 VanDerWaalsContact CB-SD 3.56Å; K389-M486 PolarHBondContact N-SD 2.9Å; Q392-M486 HydrophobicContact CG-CE 3.81Å; Q392-M486 HydrophobicContact CG-SD 4.45Å; M486-C488 PolarHBondContact O-N 3.3Å; M486-A543 HydrophobicContact CB-CB 4.09Å; M486-A543 HydrophobicContact CE-CB 3.73Å; M486-V550 HydrophobicContact CE-CG1 3.66Å
487	D	93.6	Very high	92.4	Very high	101 Å²	101	36.8 Å²	36.8	54%	0.54	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	117.9	-178.8	-167.5	18	0	0	0	110.1	C485 I541 A543	C485-D487 PolarHBondContact O-N 3.35Å; C485-D487 VanDerWaalsContact O-N 3.14Å; D487-I541 PolarHBondContact N-O 3.04Å; D487-A543 WeakPolarHBondContact O-CB 3.46Å; D487-A543 PolarHBondContact O-N 3.49Å
488	C	94	Very high	92.3	Very high	7 Å²	7	39 Å²	39	5%	0.047	22%	0.217	C	C	.	.			trans	-148.2	135.5	-173.6	-163.6	0	0	0	0	108.2	M486 T492 M493 A543	M486-C488 PolarHBondContact O-N 3.3Å; C488-T492 VanDerWaalsContact SG-CG2 3.57Å; C488-M493 HydrophobicContact CB-CG 3.94Å; C488-M493 HydrophobicContact CB-SD 4.43Å; C488-M493 VanDerWaalsContact O-CE 3.32Å; C488-M493 WeakPolarHBondContact O-CE 3.39Å; C488-A543 HydrophobicContact CB-CB 4.11Å
489	S	94.2	Very high	92.1	Very high	41 Å²	41	45.3 Å²	45.3	29%	0.287	24%	0.241	S	C	.	.			trans	-66	153.3	177.9	62.9	0	0	0	0	111.9	D491 T492 M493 E544	S489-D491 PolarHBondContact O-N 3.03Å; S489-T492 PolarHBondContact O-N 3.41Å; S489-T492 WeakPolarHBondContact OG-CB 3.44Å; S489-T492 PolarHBondContact OG-N 3.12Å; S489-T492 PolarHBondContact OG-OG1 2.93Å; S489-M493 WeakPolarHBondContact O-CB 3.36Å; S489-M493 WeakPolarHBondContact O-CG 3.31Å; S489-M493 PolarHBondContact O-N 2.91Å; S489-E544 WeakPolarHBondContact CA-OE1 3.41Å; S489-E544 WeakPolarHBondContact CB-OE1 3.44Å; S489-E544 PolarHBondContact N-OE1 2.67Å; S489-E544 PolarHBondContact OG-OE1 2.79Å
490	A	92.3	Very high	91.5	Very high	38 Å²	38	50.3 Å²	50.3	31%	0.314	25%	0.251	S	S	.	.	H	α-helix	trans	-56.9	-36.6	173	0	0	0	0	0	111.7	T494 Y522	A490-T494 VanDerWaalsContact O-CB 3.23Å; A490-T494 WeakPolarHBondContact O-CB 3.3Å; A490-T494 PolarHBondContact O-N 3.02Å; A490-T494 PolarHBondContact O-OG1 3.37Å; A490-Y522 HydrophobicContact CB-CE2 4.46Å
491	D	92.5	Very high	90.2	Very high	121 Å²	121	52.2 Å²	52.2	65%	0.647	27%	0.265	S	S	*	.	H	α-helix	trans	-65.6	-49.5	179.3	-66.7	-31	0	0	0	111.4	S489 T494 N495	S489-D491 PolarHBondContact O-N 3.03Å; D491-T494 PolarHBondContact O-N 3.37Å; D491-N495 WeakPolarHBondContact O-CB 3.39Å; D491-N495 VanDerWaalsContact O-CG 3.23Å; D491-N495 PolarHBondContact O-N 3.04Å; D491-N495 PolarHBondContact O-ND2 2.88Å; D491-N495 VanDerWaalsContact O-ND2 3.16Å
492	T	93.2	Very high	88.5	Confident	29 Å²	29	58.2 Å²	58.2	18%	0.178	29%	0.293	C	S	.	.	H	α-helix	trans	-64.8	-43.4	178.3	-67.3	0	0	0	0	112	C488 S489 T494 N495 R496 E544	C488-T492 VanDerWaalsContact SG-CG2 3.57Å; S489-T492 PolarHBondContact O-N 3.41Å; S489-T492 WeakPolarHBondContact OG-CB 3.44Å; S489-T492 PolarHBondContact OG-N 3.12Å; S489-T492 PolarHBondContact OG-OG1 2.93Å; T492-T494 VanDerWaalsContact C-N 3.33Å; T492-T494 PolarHBondContact O-N 3.43Å; T492-N495 PolarHBondContact O-N 3.23Å; T492-R496 HydrophobicContact CG2-CG 4.39Å; T492-R496 VanDerWaalsContact CG2-CZ 3.44Å; T492-R496 WeakPolarHBondContact O-CB 3.5Å; T492-R496 VanDerWaalsContact O-CG 3.28Å; T492-R496 WeakPolarHBondContact O-CG 3.5Å; T492-R496 PolarHBondContact O-N 3.18Å; T492-E544 WeakPolarHBondContact CB-OE2 3.25Å; T492-E544 VanDerWaalsContact CG2-OE2 3.26Å; T492-E544 WeakPolarHBondContact CG2-OE2 3.23Å; T492-E544 PolarHBondContact OG1-OE2 3.13Å
493	M	92.9	Very high	86.1	Confident	1 Å²	1	60.7 Å²	60.7	1%	0.005	31%	0.31	C	S	.	.	H	α-helix	trans	-59.1	-44.7	174.5	-75.4	-164.1	-78.9	0	0	111.8	G384 P385 C488 S489 R496 L497 L518 Y521 Y522	G384-M493 VanDerWaalsContact CA-SD 3.52Å; P385-M493 WeakPolarHBondContact O-CB 3.32Å; P385-M493 WeakPolarHBondContact O-CG 3.39Å; P385-M493 VanDerWaalsContact O-SD 3.39Å; C488-M493 HydrophobicContact CB-CG 3.94Å; C488-M493 HydrophobicContact CB-SD 4.43Å; C488-M493 VanDerWaalsContact O-CE 3.32Å; C488-M493 WeakPolarHBondContact O-CE 3.39Å; S489-M493 WeakPolarHBondContact O-CB 3.36Å; S489-M493 WeakPolarHBondContact O-CG 3.31Å; S489-M493 PolarHBondContact O-N 2.91Å; M493-R496 PolarHBondContact O-N 3.47Å; M493-L497 WeakPolarHBondContact O-CB 3.33Å; M493-L497 WeakPolarHBondContact O-CG 3.23Å; M493-L497 PolarHBondContact O-N 3.48Å; M493-L518 HydrophobicContact CB-CD2 3.81Å; M493-L518 HydrophobicContact CE-CD2 3.23Å; M493-L518 HydrophobicContact CG-CD2 4.36Å; M493-L518 HydrophobicContact SD-CD2 3.69Å; M493-Y521 HydrophobicContact CE-CD1 4.49Å; M493-Y521 HydrophobicContact CE-CE1 4.43Å; M493-Y522 VanDerWaalsContact CE-OH 3.3Å; M493-Y522 WeakPolarHBondContact CE-OH 3.39Å
494	T	90.6	Very high	83.8	Confident	30 Å²	30	67.1 Å²	67.1	18%	0.184	36%	0.355	C	S	.	.	H	α-helix	trans	-62.6	-49.4	178	-61	0	0	0	0	111.2	A490 D491 T492 R496 L497 L498 I514 L518	A490-T494 VanDerWaalsContact O-CB 3.23Å; A490-T494 WeakPolarHBondContact O-CB 3.3Å; A490-T494 PolarHBondContact O-N 3.02Å; A490-T494 PolarHBondContact O-OG1 3.37Å; D491-T494 PolarHBondContact O-N 3.37Å; T492-T494 VanDerWaalsContact C-N 3.33Å; T492-T494 PolarHBondContact O-N 3.43Å; T494-R496 VanDerWaalsContact C-N 3.34Å; T494-R496 PolarHBondContact O-N 3.26Å; T494-L497 PolarHBondContact O-N 3.3Å; T494-L497 VanDerWaalsContact O-N 3.17Å; T494-L498 HydrophobicContact CG2-CD1 3.91Å; T494-L498 HydrophobicContact CG2-CG 4.31Å; T494-L498 WeakPolarHBondContact O-CB 3.44Å; T494-L498 WeakPolarHBondContact O-CG 3.4Å; T494-L498 PolarHBondContact O-N 2.91Å; T494-I514 HydrophobicContact CG2-CG2 4.02Å; T494-L518 VanDerWaalsContact OG1-CD1 3.23Å; T494-L518 WeakPolarHBondContact OG1-CD1 3.37Å
495	N	90.1	Very high	81.8	Confident	87 Å²	87	72.3 Å²	72.3	47%	0.465	38%	0.382	S	S	.	.	H	α-helix	trans	-59.1	-44.1	179.2	-73.6	-31	0	0	0	111.9	D491 T492 L498 Q499	D491-N495 WeakPolarHBondContact O-CB 3.39Å; D491-N495 VanDerWaalsContact O-CG 3.23Å; D491-N495 PolarHBondContact O-N 3.04Å; D491-N495 PolarHBondContact O-ND2 2.88Å; D491-N495 VanDerWaalsContact O-ND2 3.16Å; T492-N495 PolarHBondContact O-N 3.23Å; N495-L498 PolarHBondContact O-N 2.91Å; N495-Q499 WeakPolarHBondContact O-CB 3.35Å; N495-Q499 VanDerWaalsContact O-CG 3.31Å; N495-Q499 WeakPolarHBondContact O-CG 3.35Å; N495-Q499 PolarHBondContact O-N 3.21Å
496	R	90.1	Very high	79.8	Confident	72 Å²	72	75.9 Å²	75.9	27%	0.272	41%	0.405	S	S	.	.	H	α-helix	trans	-65	-39.4	176.8	-71.7	174	-179.7	172.2	4.5	112.1	G386 S387 T492 M493 T494 R500 A543 E544	G386-R496 WeakPolarHBondContact O-CD 3.41Å; G386-R496 PolarHBondContact O-NH1 3.06Å; S387-R496 PolarHBondContact O-NH1 3.09Å; T492-R496 HydrophobicContact CG2-CG 4.39Å; T492-R496 VanDerWaalsContact CG2-CZ 3.44Å; T492-R496 WeakPolarHBondContact O-CB 3.5Å; T492-R496 VanDerWaalsContact O-CG 3.28Å; T492-R496 WeakPolarHBondContact O-CG 3.5Å; T492-R496 PolarHBondContact O-N 3.18Å; M493-R496 PolarHBondContact O-N 3.47Å; T494-R496 VanDerWaalsContact C-N 3.34Å; T494-R496 PolarHBondContact O-N 3.26Å; R496-R500 WeakPolarHBondContact O-CB 3.44Å; R496-R500 PolarHBondContact O-N 3.14Å; R496-R500 VanDerWaalsContact O-N 3.13Å; R496-A543 PolarHBondContact NH1-O 3.2Å; R496-A543 PolarHBondContact NH2-O 3.35Å; R496-E544 PolarHBondContact NH2-O 2.67Å
497	L	85.8	Confident	78.1	Confident	16 Å²	16	79.2 Å²	79.2	8%	0.084	43%	0.434	C	S	.	.	H	α-helix	trans	-68.5	-38.9	176.7	-71.3	169.4	0	0	0	112.1	P385 M493 T494 R500 S501 I514	P385-L497 HydrophobicContact CB-CD1 3.96Å; P385-L497 HydrophobicContact CB-CD2 4.37Å; P385-L497 HydrophobicContact CG-CD1 4.17Å; M493-L497 WeakPolarHBondContact O-CB 3.33Å; M493-L497 WeakPolarHBondContact O-CG 3.23Å; M493-L497 PolarHBondContact O-N 3.48Å; T494-L497 PolarHBondContact O-N 3.3Å; T494-L497 VanDerWaalsContact O-N 3.17Å; L497-R500 PolarHBondContact O-N 3.35Å; L497-S501 WeakPolarHBondContact O-CB 3.42Å; L497-S501 PolarHBondContact O-N 3.25Å; L497-I514 HydrophobicContact CB-CD1 3.75Å; L497-I514 HydrophobicContact CB-CG1 4Å; L497-I514 HydrophobicContact CB-CG2 4.4Å; L497-I514 HydrophobicContact CD1-CB 4.48Å; L497-I514 HydrophobicContact CD1-CG1 4.2Å; L497-I514 HydrophobicContact CD1-CG2 3.7Å
498	L	85.9	Confident	76.5	Confident	67 Å²	67	80 Å²	80	35%	0.351	44%	0.438	S	S	.	.	H	α-helix	trans	-64.5	-45.1	174.4	-73.2	172.8	0	0	0	111.5	T494 N495 R500 S501 T510 I514	T494-L498 HydrophobicContact CG2-CD1 3.91Å; T494-L498 HydrophobicContact CG2-CG 4.31Å; T494-L498 WeakPolarHBondContact O-CB 3.44Å; T494-L498 WeakPolarHBondContact O-CG 3.4Å; T494-L498 PolarHBondContact O-N 2.91Å; N495-L498 PolarHBondContact O-N 2.91Å; L498-R500 PolarHBondContact O-N 3.48Å; L498-S501 PolarHBondContact O-N 3.4Å; L498-T510 HydrophobicContact CD2-CG2 4.06Å; L498-I514 HydrophobicContact CD2-CD1 3.68Å; L498-I514 HydrophobicContact CG-CD1 3.85Å
499	Q	84.4	Confident	74.9	Confident	153 Å²	153	83.5 Å²	83.5	72%	0.715	46%	0.456	S	S	*	.	H	α-helix	trans	-60.7	-33.7	176	-74.8	176.4	0.4	0	0	112.7	N495	N495-Q499 WeakPolarHBondContact O-CB 3.35Å; N495-Q499 VanDerWaalsContact O-CG 3.31Å; N495-Q499 WeakPolarHBondContact O-CG 3.35Å; N495-Q499 PolarHBondContact O-N 3.21Å
500	R	77.3	Confident	73.7	Confident	217 Å²	217	82.4 Å²	82.4	82%	0.819	45%	0.448	S	S	*	.	H	α-helix	trans	-75.9	-26.2	174.9	-175.2	174.6	168.8	166.3	0.2	112.8	R496 L497 L498 Q502	R496-R500 WeakPolarHBondContact O-CB 3.44Å; R496-R500 PolarHBondContact O-N 3.14Å; R496-R500 VanDerWaalsContact O-N 3.13Å; L497-R500 PolarHBondContact O-N 3.35Å; L498-R500 PolarHBondContact O-N 3.48Å; R500-Q502 PolarHBondContact O-N 2.86Å; R500-Q502 VanDerWaalsContact O-N 3.14Å
501	S	68.2	Low	73	Confident	44 Å²	44	83.7 Å²	83.7	31%	0.308	45%	0.451	S	S	.	.			trans	-86.2	70.7	-176.7	-163.6	0	0	0	0	111.5	L497 L498 S503 T510	L497-S501 WeakPolarHBondContact O-CB 3.42Å; L497-S501 PolarHBondContact O-N 3.25Å; L498-S501 PolarHBondContact O-N 3.4Å; S501-S503 PolarHBondContact O-N 2.91Å; S501-S503 PolarHBondContact OG-OG 3.2Å; S501-T510 WeakPolarHBondContact OG-CG2 3.31Å
502	Q	57.3	Low	72.3	Confident	192 Å²	192	84.1 Å²	84.1	90%	0.897	45%	0.448	S	S	*	.			trans	-77.7	45	166.8	-65.3	-171.8	6	0	0	111.7	R500	R500-Q502 PolarHBondContact O-N 2.86Å; R500-Q502 VanDerWaalsContact O-N 3.14Å
503	S	44.9	Very low	71.5	Confident	53 Å²	53	86.7 Å²	86.7	37%	0.371	46%	0.463	S	S	.	.			trans	-98.3	142.8	-175.1	56.4	0	0	0	0	112.5	S501 L505	S501-S503 PolarHBondContact O-N 2.91Å; S501-S503 PolarHBondContact OG-OG 3.2Å; S503-L505 PolarHBondContact O-N 2.86Å
504	S	47.9	Very low	71	Confident	134 Å²	134	87 Å²	87	94%	0.937	47%	0.465	S	S	*	.	S	Bend	trans	-64.8	17.6	176.3	43	0	0	0	0	116
505	L	52.5	Low	70.7	Confident	109 Å²	109	88 Å²	88	57%	0.571	48%	0.476	S	S	*	.	S	Bend	trans	-92	150.9	177.7	-70.7	167.9	0	0	0	110.6	S503	S503-L505 PolarHBondContact O-N 2.86Å
506	P	53.9	Low	70.4	Confident	79 Å²	79	91 Å²	91	51%	0.513	49%	0.485	S	S	.	.			trans	-54.1	142	173.5	-23.4	33.5	0	0	0	112	D508 D509 T510	P506-D508 PolarHBondContact O-N 3.18Å; P506-D508 VanDerWaalsContact O-N 3.16Å; P506-D509 PolarHBondContact O-N 3.48Å; P506-T510 PolarHBondContact O-N 3.46Å; P506-T510 PolarHBondContact O-OG1 3.05Å
507	A	58	Low	70	Confident	73 Å²	73	93.8 Å²	93.8	60%	0.603	50%	0.495	S	S	*	.	H	α-helix	trans	-56.7	-33.5	-177.3	0	0	0	0	0	112.8	T511	A507-T511 WeakPolarHBondContact O-CB 3.49Å; A507-T511 PolarHBondContact O-N 3.25Å; A507-T511 PolarHBondContact O-OG1 3.01Å
508	D	60.6	Low	70	Confident	118 Å²	118	93.6 Å²	93.6	63%	0.631	49%	0.494	S	S	*	.	H	α-helix	trans	-68.2	-40.1	-179.8	-71.3	-14	0	0	0	113	P506 T511 K512	P506-D508 PolarHBondContact O-N 3.18Å; P506-D508 VanDerWaalsContact O-N 3.16Å; D508-T511 PolarHBondContact O-N 2.78Å; D508-K512 WeakPolarHBondContact O-CG 3.45Å; D508-K512 PolarHBondContact O-N 3.13Å
509	D	59.8	Low	70.1	Confident	80 Å²	80	95.3 Å²	95.3	43%	0.428	50%	0.501	S	S	.	.	H	α-helix	trans	-71.9	-34.1	179.9	-71.7	-26.5	0	0	0	111.7	P506 T513	P506-D509 PolarHBondContact O-N 3.48Å; D509-T513 WeakPolarHBondContact O-CB 3.45Å; D509-T513 PolarHBondContact O-N 3.07Å; D509-T513 PolarHBondContact O-OG1 3.2Å
510	T	69.9	Low	70	Confident	18 Å²	18	90.6 Å²	90.6	11%	0.11	49%	0.488	C	S	.	.	H	α-helix	trans	-64.6	-45.1	173.4	-54.4	0	0	0	0	110.4	L498 S501 P506 T513 I514	L498-T510 HydrophobicContact CD2-CG2 4.06Å; S501-T510 WeakPolarHBondContact OG-CG2 3.31Å; P506-T510 PolarHBondContact O-N 3.46Å; P506-T510 PolarHBondContact O-OG1 3.05Å; T510-T513 PolarHBondContact O-N 3.36Å; T510-I514 HydrophobicContact CG2-CD1 4.02Å; T510-I514 VanDerWaalsContact O-CG1 3.3Å; T510-I514 WeakPolarHBondContact O-CG1 3.43Å; T510-I514 PolarHBondContact O-N 3.36Å
511	T	77.1	Confident	70.5	Confident	64 Å²	64	82.2 Å²	82.2	39%	0.393	46%	0.457	S	S	.	.	H	α-helix	trans	-66.4	-43.5	-179.6	-53	0	0	0	0	111.9	A507 D508 T513 I514 A515	A507-T511 WeakPolarHBondContact O-CB 3.49Å; A507-T511 PolarHBondContact O-N 3.25Å; A507-T511 PolarHBondContact O-OG1 3.01Å; D508-T511 PolarHBondContact O-N 2.78Å; T511-T513 VanDerWaalsContact C-N 3.33Å; T511-T513 PolarHBondContact O-N 3.02Å; T511-I514 PolarHBondContact O-N 3.3Å; T511-A515 WeakPolarHBondContact O-CB 3.47Å; T511-A515 PolarHBondContact O-N 2.83Å
512	K	78.2	Confident	71.4	Confident	131 Å²	131	84 Å²	84	57%	0.57	46%	0.457	S	S	*	.	H	α-helix	trans	-61.1	-40.5	174.8	-73.9	173.3	-175.7	170.9	0	112.3	D508 A515 K516	D508-K512 WeakPolarHBondContact O-CG 3.45Å; D508-K512 PolarHBondContact O-N 3.13Å; K512-A515 PolarHBondContact O-N 3.15Å; K512-K516 WeakPolarHBondContact O-CG 3.31Å; K512-K516 PolarHBondContact O-N 3.16Å
513	T	76.6	Confident	72.8	Confident	82 Å²	82	82.6 Å²	82.6	50%	0.503	44%	0.444	S	S	.	.	H	α-helix	trans	-66.7	-41.1	177.9	-57.6	0	0	0	0	111.5	D509 T510 T511 K516 R517	D509-T513 WeakPolarHBondContact O-CB 3.45Å; D509-T513 PolarHBondContact O-N 3.07Å; D509-T513 PolarHBondContact O-OG1 3.2Å; T510-T513 PolarHBondContact O-N 3.36Å; T511-T513 VanDerWaalsContact C-N 3.33Å; T511-T513 PolarHBondContact O-N 3.02Å; T513-K516 PolarHBondContact O-N 3.41Å; T513-R517 WeakPolarHBondContact O-CG 3.4Å; T513-R517 PolarHBondContact O-N 3.47Å; T513-R517 VanDerWaalsContact O-N 3.16Å
514	I	82.1	Confident	74.6	Confident	8 Å²	8	81.5 Å²	81.5	4%	0.041	44%	0.438	C	S	.	.	H	α-helix	trans	-62.5	-46.4	174.9	-70.4	166.8	0	0	0	110.7	T494 L497 L498 T510 T511 K516 R517 L518	T494-I514 HydrophobicContact CG2-CG2 4.02Å; L497-I514 HydrophobicContact CB-CD1 3.75Å; L497-I514 HydrophobicContact CB-CG1 4Å; L497-I514 HydrophobicContact CB-CG2 4.4Å; L497-I514 HydrophobicContact CD1-CB 4.48Å; L497-I514 HydrophobicContact CD1-CG1 4.2Å; L497-I514 HydrophobicContact CD1-CG2 3.7Å; L498-I514 HydrophobicContact CD2-CD1 3.68Å; L498-I514 HydrophobicContact CG-CD1 3.85Å; T510-I514 HydrophobicContact CG2-CD1 4.02Å; T510-I514 VanDerWaalsContact O-CG1 3.3Å; T510-I514 WeakPolarHBondContact O-CG1 3.43Å; T510-I514 PolarHBondContact O-N 3.36Å; T511-I514 PolarHBondContact O-N 3.3Å; I514-K516 PolarHBondContact O-N 2.96Å; I514-R517 WeakPolarHBondContact O-CB 3.48Å; I514-R517 PolarHBondContact O-N 3.34Å; I514-R517 VanDerWaalsContact O-N 3.12Å; I514-L518 HydrophobicContact CG2-CD1 3.8Å; I514-L518 PolarHBondContact O-N 3.37Å
515	A	84.5	Confident	76.5	Confident	50 Å²	50	75.5 Å²	75.5	41%	0.413	40%	0.396	S	S	.	.	H	α-helix	trans	-57.8	-47.5	177.9	0	0	0	0	0	112	T511 K512 R517 L518 E519	T511-A515 WeakPolarHBondContact O-CB 3.47Å; T511-A515 PolarHBondContact O-N 2.83Å; K512-A515 PolarHBondContact O-N 3.15Å; A515-R517 VanDerWaalsContact C-N 3.28Å; A515-R517 PolarHBondContact O-N 3.49Å; A515-L518 PolarHBondContact O-N 3.34Å; A515-L518 VanDerWaalsContact O-N 3.16Å; A515-E519 WeakPolarHBondContact O-CB 3.35Å; A515-E519 PolarHBondContact O-N 2.95Å
516	K	83.4	Confident	78.3	Confident	152 Å²	152	75.3 Å²	75.3	66%	0.661	40%	0.395	S	S	*	.	H	α-helix	trans	-57.7	-38.9	175.6	-75.1	-178.1	177.5	-174.5	0	112.7	K512 T513 I514 A520	K512-K516 WeakPolarHBondContact O-CG 3.31Å; K512-K516 PolarHBondContact O-N 3.16Å; T513-K516 PolarHBondContact O-N 3.41Å; I514-K516 PolarHBondContact O-N 2.96Å; K516-A520 WeakPolarHBondContact O-CB 3.5Å; K516-A520 PolarHBondContact O-N 3.39Å
517	R	81	Confident	80.1	Confident	129 Å²	129	74.6 Å²	74.6	49%	0.487	39%	0.39	S	S	.	.	H	α-helix	trans	-69.9	-36.6	178.4	-70	173.4	65.7	-172.6	2	112.6	P385 T513 I514 A515 Y521	P385-R517 HydrophobicContact CG-CB 4.09Å; T513-R517 WeakPolarHBondContact O-CG 3.4Å; T513-R517 PolarHBondContact O-N 3.47Å; T513-R517 VanDerWaalsContact O-N 3.16Å; I514-R517 WeakPolarHBondContact O-CB 3.48Å; I514-R517 PolarHBondContact O-N 3.34Å; I514-R517 VanDerWaalsContact O-N 3.12Å; A515-R517 VanDerWaalsContact C-N 3.28Å; A515-R517 PolarHBondContact O-N 3.49Å; R517-Y521 WeakPolarHBondContact O-CB 3.26Å; R517-Y521 PolarHBondContact O-N 2.94Å
518	L	86.2	Confident	81.8	Confident	12 Å²	12	71.1 Å²	71.1	6%	0.063	36%	0.361	C	S	.	.	H	α-helix	trans	-67.3	-45.5	174.5	-77.4	160.2	0	0	0	111.2	P385 M493 T494 I514 A515 Y521 Y522	P385-L518 HydrophobicContact CG-CD2 4.34Å; P385-L518 HydrophobicContact CG-CG 4.44Å; M493-L518 HydrophobicContact CB-CD2 3.81Å; M493-L518 HydrophobicContact CE-CD2 3.23Å; M493-L518 HydrophobicContact CG-CD2 4.36Å; M493-L518 HydrophobicContact SD-CD2 3.69Å; T494-L518 VanDerWaalsContact OG1-CD1 3.23Å; T494-L518 WeakPolarHBondContact OG1-CD1 3.37Å; I514-L518 HydrophobicContact CG2-CD1 3.8Å; I514-L518 PolarHBondContact O-N 3.37Å; A515-L518 PolarHBondContact O-N 3.34Å; A515-L518 VanDerWaalsContact O-N 3.16Å; L518-Y521 WeakPolarHBondContact O-CB 3.43Å; L518-Y521 PolarHBondContact O-N 2.98Å; L518-Y521 VanDerWaalsContact O-N 3.16Å; L518-Y522 HydrophobicContact CB-CE2 4.4Å; L518-Y522 HydrophobicContact CD2-CE2 4.38Å; L518-Y522 WeakPolarHBondContact O-CD2 3.42Å; L518-Y522 PolarHBondContact O-N 3.28Å
519	E	87.4	Confident	83.3	Confident	104 Å²	104	66.7 Å²	66.7	49%	0.486	34%	0.337	S	S	.	.	H	α-helix	trans	-60.3	-47.3	177	-169.9	-170	158.4	0	0	111.6	A515 Y521 Y522 R523	A515-E519 WeakPolarHBondContact O-CB 3.35Å; A515-E519 PolarHBondContact O-N 2.95Å; E519-Y521 VanDerWaalsContact C-N 3.27Å; E519-Y521 PolarHBondContact O-N 3.37Å; E519-Y522 PolarHBondContact O-N 3.18Å; E519-R523 WeakPolarHBondContact O-CB 3.17Å; E519-R523 PolarHBondContact O-N 3.48Å; E519-R523 IonicContact OE1-CZ 2.67Å; E519-R523 IonicContact OE1-NH1 2.73Å; E519-R523 IonicContact OE1-NH2 3.6Å; E519-R523 PolarHBondContact OE1-NH2 2.95Å
520	A	83.4	Confident	84.8	Confident	54 Å²	54	65.2 Å²	65.2	45%	0.446	34%	0.336	S	S	.	.	H	α-helix	trans	-59.6	-38.8	175.1	0	0	0	0	0	112	K516 A524	K516-A520 WeakPolarHBondContact O-CB 3.5Å; K516-A520 PolarHBondContact O-N 3.39Å; A520-A524 VanDerWaalsContact O-CB 3.23Å; A520-A524 WeakPolarHBondContact O-CB 3.42Å; A520-A524 PolarHBondContact O-N 2.7Å; A520-A524 VanDerWaalsContact O-N 3.14Å
521	Y	86.9	Confident	86	Confident	40 Å²	40	66.6 Å²	66.6	16%	0.157	34%	0.339	C	S	.	.	H	α-helix	trans	-63.7	-50.4	174.9	164.8	-105.5	0	0	0	112.2	I382 G384 M493 R517 L518 E519 R523 A524 S525	I382-Y521 HydrophobicContact CG2-CE2 4.4Å; G384-Y521 VanDerWaalsContact CA-CD2 3.49Å; G384-Y521 VanDerWaalsContact CA-CE2 3.49Å; G384-Y521 PolarHBondContact N-OH 2.91Å; M493-Y521 HydrophobicContact CE-CD1 4.49Å; M493-Y521 HydrophobicContact CE-CE1 4.43Å; R517-Y521 WeakPolarHBondContact O-CB 3.26Å; R517-Y521 PolarHBondContact O-N 2.94Å; L518-Y521 WeakPolarHBondContact O-CB 3.43Å; L518-Y521 PolarHBondContact O-N 2.98Å; L518-Y521 VanDerWaalsContact O-N 3.16Å; E519-Y521 VanDerWaalsContact C-N 3.27Å; E519-Y521 PolarHBondContact O-N 3.37Å; Y521-R523 PolarHBondContact O-N 2.98Å; Y521-A524 PolarHBondContact O-N 3.15Å; Y521-S525 VanDerWaalsContact CE2-CB 3.45Å; Y521-S525 WeakPolarHBondContact CE2-OG 3.01Å; Y521-S525 VanDerWaalsContact O-CB 3.26Å; Y521-S525 WeakPolarHBondContact O-CB 3.33Å; Y521-S525 PolarHBondContact O-N 3.2Å; Y521-S525 PolarHBondContact O-OG 2.94Å
522	Y	87.9	Confident	86.8	Confident	81 Å²	81	63.8 Å²	63.8	32%	0.318	32%	0.321	S	S	.	.	H	α-helix	trans	-63.8	-42	-178.6	-71.4	-59	0	0	0	111.9	A490 M493 L518 E519 A524 I526	A490-Y522 HydrophobicContact CB-CE2 4.46Å; M493-Y522 VanDerWaalsContact CE-OH 3.3Å; M493-Y522 WeakPolarHBondContact CE-OH 3.39Å; L518-Y522 HydrophobicContact CB-CE2 4.4Å; L518-Y522 HydrophobicContact CD2-CE2 4.38Å; L518-Y522 WeakPolarHBondContact O-CD2 3.42Å; L518-Y522 PolarHBondContact O-N 3.28Å; E519-Y522 PolarHBondContact O-N 3.18Å; Y522-A524 VanDerWaalsContact C-N 3.28Å; Y522-A524 PolarHBondContact O-N 3.27Å; Y522-I526 WeakPolarHBondContact O-CB 3.37Å; Y522-I526 WeakPolarHBondContact O-CD1 3.34Å; Y522-I526 VanDerWaalsContact O-CG1 3.26Å; Y522-I526 WeakPolarHBondContact O-CG1 3.38Å; Y522-I526 PolarHBondContact O-N 3.35Å
523	R	87.1	Confident	87.4	Confident	163 Å²	163	62.2 Å²	62.2	62%	0.615	32%	0.316	S	S	*	.	H	α-helix	trans	-57.4	-41.3	175.6	-174.4	-179.7	-70.1	120.4	2.7	112.2	E519 Y521 P527	E519-R523 WeakPolarHBondContact O-CB 3.17Å; E519-R523 PolarHBondContact O-N 3.48Å; E519-R523 IonicContact OE1-CZ 2.67Å; E519-R523 IonicContact OE1-NH1 2.73Å; E519-R523 IonicContact OE1-NH2 3.6Å; E519-R523 PolarHBondContact OE1-NH2 2.95Å; Y521-R523 PolarHBondContact O-N 2.98Å; R523-P527 WeakPolarHBondContact O-CD 3.28Å
524	A	82.8	Confident	88	Confident	30 Å²	30	63.8 Å²	63.8	25%	0.248	33%	0.326	C	S	.	.	H	α-helix	trans	-79	-45.2	-178.8	0	0	0	0	0	113.4	R465 A520 Y521 Y522 V528	R465-A524 HydrophobicContact CB-CB 4.49Å; R465-A524 CarbonylContact O-C 3.54Å; R465-A524 WeakPolarHBondContact O-CA 3.47Å; R465-A524 WeakPolarHBondContact O-CB 3.4Å; A520-A524 VanDerWaalsContact O-CB 3.23Å; A520-A524 WeakPolarHBondContact O-CB 3.42Å; A520-A524 PolarHBondContact O-N 2.7Å; A520-A524 VanDerWaalsContact O-N 3.14Å; Y521-A524 PolarHBondContact O-N 3.15Å; Y522-A524 VanDerWaalsContact C-N 3.28Å; Y522-A524 PolarHBondContact O-N 3.27Å; A524-V528 WeakPolarHBondContact O-CG2 3.49Å
525	S	86.7	Confident	88.2	Confident	8 Å²	8	70 Å²	70	6%	0.056	35%	0.353	C	S	.	.	H	α-helix	trans	-81.2	-35	-168.5	58.2	0	0	0	0	114	Y521 V528 I529	Y521-S525 VanDerWaalsContact CE2-CB 3.45Å; Y521-S525 WeakPolarHBondContact CE2-OG 3.01Å; Y521-S525 VanDerWaalsContact O-CB 3.26Å; Y521-S525 WeakPolarHBondContact O-CB 3.33Å; Y521-S525 PolarHBondContact O-N 3.2Å; Y521-S525 PolarHBondContact O-OG 2.94Å; S525-V528 PolarHBondContact O-N 3.13Å; S525-I529 WeakPolarHBondContact O-CB 3.45Å; S525-I529 VanDerWaalsContact O-CG1 3.23Å; S525-I529 WeakPolarHBondContact O-CG1 3.34Å; S525-I529 PolarHBondContact O-N 2.97Å
526	I	90	Very high	88.4	Confident	106 Å²	106	69.4 Å²	69.4	54%	0.544	34%	0.344	S	S	.	.	H	α-helix	trans	-57.8	-49.9	-176.9	-68.6	167.7	0	0	0	111.7	Y522 V528 I529 A530	Y522-I526 WeakPolarHBondContact O-CB 3.37Å; Y522-I526 WeakPolarHBondContact O-CD1 3.34Å; Y522-I526 VanDerWaalsContact O-CG1 3.26Å; Y522-I526 WeakPolarHBondContact O-CG1 3.38Å; Y522-I526 PolarHBondContact O-N 3.35Å; I526-V528 VanDerWaalsContact C-N 3.33Å; I526-V528 PolarHBondContact O-N 3.23Å; I526-I529 PolarHBondContact O-N 3.46Å; I526-A530 WeakPolarHBondContact O-CB 3.47Å; I526-A530 PolarHBondContact O-N 3.06Å
527	P	92.8	Very high	88.7	Confident	63 Å²	63	65.9 Å²	65.9	41%	0.409	33%	0.33	S	S	.	.	H	α-helix	trans	-64.1	-36.9	177.9	-22.3	34.7	0	0	0	113	V467 R523 A530 Y531	V467-P527 HydrophobicContact CG2-CB 3.89Å; R523-P527 WeakPolarHBondContact O-CD 3.28Å; P527-A530 PolarHBondContact O-N 3.1Å; P527-Y531 WeakPolarHBondContact O-CB 3.44Å; P527-Y531 PolarHBondContact O-N 3.3Å
528	V	92.6	Very high	89.4	Confident	1 Å²	1	61.3 Å²	61.3	1%	0.006	32%	0.315	C	S	.	.	H	α-helix	trans	-67.4	-43	179.6	173.8	0	0	0	0	111.3	I382 P464 E466 V467 A524 S525 I526 Y531 Y532	I382-V528 HydrophobicContact CD1-CG1 3.7Å; P464-V528 HydrophobicContact CG-CG1 3.85Å; E466-V528 VanDerWaalsContact C-CG2 3.49Å; V467-V528 HydrophobicContact CG2-CG2 4.47Å; A524-V528 WeakPolarHBondContact O-CG2 3.49Å; S525-V528 PolarHBondContact O-N 3.13Å; I526-V528 VanDerWaalsContact C-N 3.33Å; I526-V528 PolarHBondContact O-N 3.23Å; V528-Y531 PolarHBondContact O-N 3.34Å; V528-Y532 HydrophobicContact CG1-CD2 3.84Å; V528-Y532 HydrophobicContact CG1-CE2 3.95Å; V528-Y532 WeakPolarHBondContact O-CD2 3.44Å; V528-Y532 PolarHBondContact O-N 3Å
529	I	92	Very high	89.8	Confident	25 Å²	25	63.6 Å²	63.6	13%	0.128	33%	0.325	C	S	.	.	H	α-helix	trans	-62.3	-48.9	176.5	-67.5	169.2	0	0	0	109.4	I382 S525 I526 Y531 Y532 E533 L538	I382-I529 HydrophobicContact CD1-CG1 4.49Å; I382-I529 HydrophobicContact CG2-CD1 4.39Å; I382-I529 HydrophobicContact CG2-CG1 4.38Å; S525-I529 WeakPolarHBondContact O-CB 3.45Å; S525-I529 VanDerWaalsContact O-CG1 3.23Å; S525-I529 WeakPolarHBondContact O-CG1 3.34Å; S525-I529 PolarHBondContact O-N 2.97Å; I526-I529 PolarHBondContact O-N 3.46Å; I529-Y531 VanDerWaalsContact C-N 3.29Å; I529-Y531 PolarHBondContact O-N 3.5Å; I529-Y532 PolarHBondContact O-N 3.14Å; I529-E533 HydrophobicContact CG2-CG 4.34Å; I529-E533 WeakPolarHBondContact O-CG 3.25Å; I529-E533 PolarHBondContact O-N 3.03Å; I529-L538 HydrophobicContact CG2-CD1 4.13Å
530	A	93.1	Very high	90.2	Very high	48 Å²	48	64.2 Å²	64.2	40%	0.397	33%	0.326	S	S	.	.	H	α-helix	trans	-59.6	-39.4	178	0	0	0	0	0	112.5	I526 P527	I526-A530 WeakPolarHBondContact O-CB 3.47Å; I526-A530 PolarHBondContact O-N 3.06Å; P527-A530 PolarHBondContact O-N 3.1Å
531	Y	93.4	Very high	90.8	Very high	48 Å²	48	62.2 Å²	62.2	19%	0.188	31%	0.308	C	S	.	.	H	α-helix	trans	-59.9	-50.6	174.5	175.2	-99.3	0	0	0	111.5	V467 E471 P527 V528 I529 T534 K535	V467-Y531 HydrophobicContact CG1-CD1 4.41Å; V467-Y531 HydrophobicContact CG1-CD2 3.54Å; V467-Y531 HydrophobicContact CG1-CE2 3.97Å; V467-Y531 HydrophobicContact CG1-CG 3.8Å; E471-Y531 HydrophobicContact CG-CE2 4.19Å; P527-Y531 WeakPolarHBondContact O-CB 3.44Å; P527-Y531 PolarHBondContact O-N 3.3Å; V528-Y531 PolarHBondContact O-N 3.34Å; I529-Y531 VanDerWaalsContact C-N 3.29Å; I529-Y531 PolarHBondContact O-N 3.5Å; Y531-T534 PolarHBondContact O-N 2.99Å; Y531-T534 PolarHBondContact O-OG1 3Å; Y531-K535 HydrophobicContact CE1-CG 4.19Å; Y531-K535 HydrophobicContact CE2-CG 4.27Å; Y531-K535 WeakPolarHBondContact O-CG 3.35Å
532	Y	94.4	Very high	91.2	Very high	4 Å²	4	64.2 Å²	64.2	2%	0.016	32%	0.321	C	S	.	.	H	α-helix	trans	-75.7	-24.5	-176.6	-78.3	-64.3	0	0	0	114.8	F380 P464 G470 P480 V483 V528 I529 T534 K535 T536	F380-Y532 HydrophobicContact CD2-CE2 4.22Å; F380-Y532 HydrophobicContact CE2-CE2 4.26Å; F380-Y532 AromaticContact CE2-CZ 3.85Å; F380-Y532 WeakPolarHBondContact CE2-OH 3.36Å; P464-Y532 HydrophobicContact CG-CE2 3.73Å; G470-Y532 WeakPolarHBondContact CA-OH 3.47Å; P480-Y532 HydrophobicContact CG-CD1 4.15Å; P480-Y532 HydrophobicContact CG-CE1 3.54Å; V483-Y532 HydrophobicContact CG2-CD1 3.96Å; V483-Y532 HydrophobicContact CG2-CD2 4.21Å; V483-Y532 HydrophobicContact CG2-CG 3.79Å; V528-Y532 HydrophobicContact CG1-CD2 3.84Å; V528-Y532 HydrophobicContact CG1-CE2 3.95Å; V528-Y532 WeakPolarHBondContact O-CD2 3.44Å; V528-Y532 PolarHBondContact O-N 3Å; I529-Y532 PolarHBondContact O-N 3.14Å; Y532-T534 PolarHBondContact O-N 3.27Å; Y532-T534 VanDerWaalsContact O-N 3.13Å; Y532-K535 HydrophobicContact CD1-CB 4.35Å; Y532-K535 PolarHBondContact O-N 3.11Å; Y532-K535 VanDerWaalsContact O-N 3.08Å; Y532-T536 HydrophobicContact CD1-CG2 3.56Å; Y532-T536 HydrophobicContact CE1-CG2 4.42Å; Y532-T536 HydrophobicContact CG-CG2 4.22Å; Y532-T536 PolarHBondContact O-N 3.3Å; Y532-T536 VanDerWaalsContact O-N 3.09Å; Y532-T536 VanDerWaalsContact O-O 3.13Å
533	E	91.9	Very high	91.5	Very high	99 Å²	99	60.4 Å²	60.4	46%	0.463	31%	0.307	S	S	.	.	H	α-helix	trans	-54.8	-28.5	170	-80.8	178.1	177.9	0	0	112.3	I529 L538 K540	I529-E533 HydrophobicContact CG2-CG 4.34Å; I529-E533 WeakPolarHBondContact O-CG 3.25Å; I529-E533 PolarHBondContact O-N 3.03Å; E533-L538 HydrophobicContact CG-CD1 4.1Å; E533-L538 HydrophobicContact CG-CD2 4.16Å; E533-K540 WeakPolarHBondContact OE1-CE 3.27Å; E533-K540 IonicContact OE1-NZ 3.67Å; E533-K540 PolarHBondContact OE1-NZ 3.09Å
534	T	88.8	Confident	91.8	Very high	115 Å²	115	56 Å²	56	71%	0.706	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-12.1	179.3	68.6	0	0	0	0	114.6	Y531 Y532	Y531-T534 PolarHBondContact O-N 2.99Å; Y531-T534 PolarHBondContact O-OG1 3Å; Y532-T534 PolarHBondContact O-N 3.27Å; Y532-T534 VanDerWaalsContact O-N 3.13Å
535	K	86.4	Confident	92.2	Very high	139 Å²	139	56.3 Å²	56.3	60%	0.604	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.6	-34.8	-166.2	-70.4	-70.7	-174.5	174.3	0	114.4	Y531 Y532	Y531-K535 HydrophobicContact CE1-CG 4.19Å; Y531-K535 HydrophobicContact CE2-CG 4.27Å; Y531-K535 WeakPolarHBondContact O-CG 3.35Å; Y532-K535 HydrophobicContact CD1-CB 4.35Å; Y532-K535 PolarHBondContact O-N 3.11Å; Y532-K535 VanDerWaalsContact O-N 3.08Å
536	T	88.3	Confident	92.5	Very high	36 Å²	36	59 Å²	59	22%	0.221	32%	0.315	C	S	.	.	S	Bend	trans	-147.5	173.9	-173.4	-166.5	0	0	0	0	110.6	P480 V483 Y532 L538	P480-T536 HydrophobicContact CG-CG2 4.34Å; P480-T536 PolarHBondContact O-OG1 3.41Å; V483-T536 HydrophobicContact CB-CG2 4.36Å; V483-T536 HydrophobicContact CG2-CG2 3.55Å; Y532-T536 HydrophobicContact CD1-CG2 3.56Å; Y532-T536 HydrophobicContact CE1-CG2 4.42Å; Y532-T536 HydrophobicContact CG-CG2 4.22Å; Y532-T536 PolarHBondContact O-N 3.3Å; Y532-T536 VanDerWaalsContact O-N 3.09Å; Y532-T536 VanDerWaalsContact O-O 3.13Å; T536-L538 PolarHBondContact O-N 2.91Å
537	Q	90.4	Very high	92.6	Very high	79 Å²	79	56.9 Å²	56.9	37%	0.369	31%	0.308	S	S	.	.			trans	-65.7	120.5	173.9	-167.5	170.8	7	0	0	109.2	L482 V483 H539 S560	L482-Q537 HydrophobicContact CD1-CB 4.21Å; L482-Q537 HydrophobicContact CD1-CG 4.04Å; L482-Q537 WeakPolarHBondContact CD1-O 3.36Å; V483-Q537 PolarHBondContact N-O 3.39Å; Q537-H539 PolarHBondContact NE2-NE2 3.13Å; Q537-S560 PolarHBondContact NE2-OG 3.25Å
538	L	94.6	Very high	92.7	Very high	32 Å²	32	59.1 Å²	59.1	17%	0.168	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	124.5	178.1	-173.2	147.3	0	0	0	110.1	V483 I529 E533 T536 K540	V483-L538 HydrophobicContact CB-CB 4.45Å; V483-L538 HydrophobicContact CB-CD1 4.2Å; V483-L538 HydrophobicContact CB-CG 4.25Å; V483-L538 HydrophobicContact CG1-CD1 3.9Å; V483-L538 HydrophobicContact CG1-CG 4.26Å; V483-L538 CarbonylContact O-C 3.51Å; V483-L538 VanDerWaalsContact O-CA 3.29Å; V483-L538 WeakPolarHBondContact O-CA 3.41Å; I529-L538 HydrophobicContact CG2-CD1 4.13Å; E533-L538 HydrophobicContact CG-CD1 4.1Å; E533-L538 HydrophobicContact CG-CD2 4.16Å; T536-L538 PolarHBondContact O-N 2.91Å; L538-K540 HydrophobicContact CD2-CG 3.81Å
539	H	95.6	Very high	92.8	Very high	60 Å²	60	63.2 Å²	63.2	28%	0.278	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	118.1	176.7	-76.5	-61.6	0	0	0	110.9	L482 V483 I484 C485 Q537 I541 A557	L482-H539 VanDerWaalsContact CD1-CD2 3.5Å; L482-H539 WeakPolarHBondContact CD1-CD2 3.47Å; V483-H539 PolarHBondContact O-N 3.43Å; I484-H539 WeakPolarHBondContact CA-O 3.48Å; C485-H539 PolarHBondContact N-O 2.9Å; Q537-H539 PolarHBondContact NE2-NE2 3.13Å; H539-I541 HydrophobicContact CB-CD1 4.29Å; H539-A557 HydrophobicContact CB-CB 3.93Å
540	K	94.4	Very high	93	Very high	118 Å²	118	62.2 Å²	62.2	51%	0.513	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	117.1	169.7	-63.4	-178.7	-176.6	173.1	0	108.8	C485 E533 L538	C485-K540 HydrophobicContact CB-CG 4.12Å; C485-K540 CarbonylContact O-C 3.59Å; C485-K540 WeakPolarHBondContact O-CA 3.47Å; E533-K540 WeakPolarHBondContact OE1-CE 3.27Å; E533-K540 IonicContact OE1-NZ 3.67Å; E533-K540 PolarHBondContact OE1-NZ 3.09Å; L538-K540 HydrophobicContact CD2-CG 3.81Å
541	I	95.9	Very high	93.2	Very high	11 Å²	11	61.9 Å²	61.9	6%	0.056	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	126.8	-180	-57.7	-51.9	0	0	0	108.6	I484 C485 D487 H539 A543 V550 Q553 L554 A557	I484-I541 HydrophobicContact CG2-CG1 3.96Å; C485-I541 PolarHBondContact O-N 3.37Å; D487-I541 PolarHBondContact N-O 3.04Å; H539-I541 HydrophobicContact CB-CD1 4.29Å; I541-A543 PolarHBondContact O-N 2.79Å; I541-A543 VanDerWaalsContact O-N 3.14Å; I541-V550 HydrophobicContact CG2-CG1 4.21Å; I541-Q553 HydrophobicContact CD1-CB 4.17Å; I541-Q553 HydrophobicContact CG2-CB 3.73Å; I541-L554 HydrophobicContact CB-CD2 4.45Å; I541-L554 HydrophobicContact CG1-CD2 3.93Å; I541-L554 HydrophobicContact CG2-CD2 4.44Å; I541-L554 HydrophobicContact CG2-CG 4.32Å; I541-A557 HydrophobicContact CD1-CB 4.27Å
542	N	95.4	Very high	93.4	Very high	82 Å²	82	65 Å²	65	44%	0.439	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	110.1	176	-179.3	-8.7	0	0	0	109.7	E544 V550	N542-E544 WeakPolarHBondContact OD1-CB 3.41Å; N542-E544 WeakPolarHBondContact OD1-CG 3.28Å; N542-E544 PolarHBondContact OD1-N 2.98Å; N542-V550 WeakPolarHBondContact O-CG2 3.35Å
543	A	95.3	Very high	93.4	Very high	2 Å²	2	68.2 Å²	68.2	2%	0.017	36%	0.355	C	S	.	.			trans	-95.6	12.3	-177.3	0	0	0	0	0	114	M486 D487 C488 R496 I541	M486-A543 HydrophobicContact CB-CB 4.09Å; M486-A543 HydrophobicContact CE-CB 3.73Å; D487-A543 WeakPolarHBondContact O-CB 3.46Å; D487-A543 PolarHBondContact O-N 3.49Å; C488-A543 HydrophobicContact CB-CB 4.11Å; R496-A543 PolarHBondContact NH1-O 3.2Å; R496-A543 PolarHBondContact NH2-O 3.35Å; I541-A543 PolarHBondContact O-N 2.79Å; I541-A543 VanDerWaalsContact O-N 3.14Å
544	E	93.4	Very high	93.6	Very high	70 Å²	70	63.5 Å²	63.5	33%	0.327	33%	0.333	S	S	.	.	S	Bend	trans	-74.6	-34.6	176.4	-63.9	-70.2	174.6	0	0	112.8	S489 T492 R496 N542	S489-E544 WeakPolarHBondContact CA-OE1 3.41Å; S489-E544 WeakPolarHBondContact CB-OE1 3.44Å; S489-E544 PolarHBondContact N-OE1 2.67Å; S489-E544 PolarHBondContact OG-OE1 2.79Å; T492-E544 WeakPolarHBondContact CB-OE2 3.25Å; T492-E544 VanDerWaalsContact CG2-OE2 3.26Å; T492-E544 WeakPolarHBondContact CG2-OE2 3.23Å; T492-E544 PolarHBondContact OG1-OE2 3.13Å; R496-E544 PolarHBondContact NH2-O 2.67Å; N542-E544 WeakPolarHBondContact OD1-CB 3.41Å; N542-E544 WeakPolarHBondContact OD1-CG 3.28Å; N542-E544 PolarHBondContact OD1-N 2.98Å
545	G	90.4	Very high	94	Very high	37 Å²	37	58.2 Å²	58.2	38%	0.381	30%	0.3	S	S	.	.	S	Bend	trans	-71.7	-166.8	-172.9	0	0	0	0	0	115.2
546	T	93.5	Very high	94.4	Very high	63 Å²	63	55.9 Å²	55.9	39%	0.387	30%	0.298	S	S	.	.			trans	-68.5	152.8	177.9	70	0	0	0	0	111.2	E548 D549 V550	T546-E548 PolarHBondContact O-N 3.1Å; T546-E548 VanDerWaalsContact O-N 3.08Å; T546-D549 PolarHBondContact O-N 3.13Å; T546-D549 VanDerWaalsContact O-N 3.16Å; T546-D549 PolarHBondContact OG1-N 3.3Å; T546-D549 PolarHBondContact OG1-OD2 3.4Å; T546-V550 VanDerWaalsContact O-CG2 3.29Å; T546-V550 WeakPolarHBondContact O-CG2 3.28Å; T546-V550 PolarHBondContact O-N 3Å
547	P	92.4	Very high	94.7	Very high	62 Å²	62	54.5 Å²	54.5	40%	0.403	29%	0.29	S	S	.	.	H	α-helix	trans	-54.9	-27.9	175.9	-25.9	35.1	0	0	0	113.7	Q392 F551	Q392-P547 PolarHBondContact NE2-O 2.93Å; P547-F551 WeakPolarHBondContact O-CB 3.32Å; P547-F551 PolarHBondContact O-N 3.44Å; P547-F551 VanDerWaalsContact O-N 3.1Å
548	E	95.2	Very high	94.8	Very high	111 Å²	111	50.7 Å²	50.7	52%	0.519	27%	0.272	S	S	.	.	H	α-helix	trans	-75.2	-45.9	178.4	-68.2	59.2	-124.6	0	0	111.5	K395 T546 F551 L552	K395-E548 IonicContact NZ-OE1 2.72Å; K395-E548 PolarHBondContact NZ-OE1 3.17Å; T546-E548 PolarHBondContact O-N 3.1Å; T546-E548 VanDerWaalsContact O-N 3.08Å; E548-F551 WeakPolarHBondContact O-CB 3.26Å; E548-F551 PolarHBondContact O-N 3.02Å; E548-L552 PolarHBondContact O-N 3.39Å
549	D	94.8	Very high	94.8	Very high	86 Å²	86	53.1 Å²	53.1	46%	0.46	29%	0.285	S	S	.	.	H	α-helix	trans	-65.1	-41.4	177.8	-61.5	-38.4	0	0	0	111.5	T546 F551 L552 Q553	T546-D549 PolarHBondContact O-N 3.13Å; T546-D549 VanDerWaalsContact O-N 3.16Å; T546-D549 PolarHBondContact OG1-N 3.3Å; T546-D549 PolarHBondContact OG1-OD2 3.4Å; D549-F551 VanDerWaalsContact C-N 3.32Å; D549-L552 PolarHBondContact O-N 3.39Å; D549-Q553 WeakPolarHBondContact O-CG 3.38Å; D549-Q553 PolarHBondContact O-N 2.91Å; D549-Q553 VanDerWaalsContact O-N 3.14Å; D549-Q553 PolarHBondContact O-NE2 2.98Å
550	V	96.3	Very high	94.5	Very high	4 Å²	4	53.2 Å²	53.2	2%	0.024	29%	0.292	C	S	.	.	H	α-helix	trans	-63.1	-42.9	175.1	176.8	0	0	0	0	110	Q392 M486 I541 N542 T546 L552 Q553 L554	Q392-V550 HydrophobicContact CG-CG1 4.01Å; M486-V550 HydrophobicContact CE-CG1 3.66Å; I541-V550 HydrophobicContact CG2-CG1 4.21Å; N542-V550 WeakPolarHBondContact O-CG2 3.35Å; T546-V550 VanDerWaalsContact O-CG2 3.29Å; T546-V550 WeakPolarHBondContact O-CG2 3.28Å; T546-V550 PolarHBondContact O-N 3Å; V550-L552 VanDerWaalsContact C-N 3.34Å; V550-L552 PolarHBondContact O-N 3Å; V550-Q553 PolarHBondContact O-N 3.08Å; V550-L554 HydrophobicContact CG1-CD1 4.06Å; V550-L554 VanDerWaalsContact O-CG 3.28Å; V550-L554 WeakPolarHBondContact O-CG 3.32Å; V550-L554 PolarHBondContact O-N 3.41Å
551	F	97	Very high	94.1	Very high	41 Å²	41	48.5 Å²	48.5	18%	0.18	27%	0.273	C	S	.	.	H	α-helix	trans	-62.8	-40.1	178.1	-176.5	-114	0	0	0	112.3	Q392 K395 L396 K399 P547 E548 D549 L554 C555	Q392-F551 VanDerWaalsContact OE1-CB 3.31Å; K395-F551 HydrophobicContact CB-CD2 3.58Å; K395-F551 HydrophobicContact CB-CE2 3.33Å; K395-F551 HydrophobicContact CB-CG 4.39Å; K395-F551 HydrophobicContact CB-CZ 3.95Å; K395-F551 HydrophobicContact CD-CB 4.29Å; K395-F551 HydrophobicContact CD-CD2 3.98Å; K395-F551 HydrophobicContact CD-CE2 4.46Å; K395-F551 HydrophobicContact CD-CG 4.04Å; K395-F551 HydrophobicContact CG-CD2 4.45Å; L396-F551 HydrophobicContact CD2-CD2 4.33Å; L396-F551 HydrophobicContact CD2-CE2 3.75Å; L396-F551 HydrophobicContact CG-CE2 4.07Å; K399-F551 HydrophobicContact CB-CZ 4.03Å; K399-F551 HydrophobicContact CD-CE1 4.11Å; K399-F551 HydrophobicContact CD-CZ 3.75Å; P547-F551 WeakPolarHBondContact O-CB 3.32Å; P547-F551 PolarHBondContact O-N 3.44Å; P547-F551 VanDerWaalsContact O-N 3.1Å; E548-F551 WeakPolarHBondContact O-CB 3.26Å; E548-F551 PolarHBondContact O-N 3.02Å; D549-F551 VanDerWaalsContact C-N 3.32Å; F551-L554 WeakPolarHBondContact O-CB 3.35Å; F551-L554 PolarHBondContact O-N 3.14Å; F551-C555 PolarHBondContact O-N 3.35Å; F551-C555 PolarHBondContact O-SG 3.3Å
552	L	96.2	Very high	93.4	Very high	114 Å²	114	55.3 Å²	55.3	60%	0.597	30%	0.302	S	S	*	.	H	α-helix	trans	-65.1	-41.2	178	-173.5	63.4	0	0	0	112	E548 D549 V550 C555 T556	E548-L552 PolarHBondContact O-N 3.39Å; D549-L552 PolarHBondContact O-N 3.39Å; V550-L552 VanDerWaalsContact C-N 3.34Å; V550-L552 PolarHBondContact O-N 3Å; L552-C555 WeakPolarHBondContact O-CB 3.49Å; L552-C555 PolarHBondContact O-N 2.94Å; L552-T556 PolarHBondContact O-N 3.49Å; L552-T556 PolarHBondContact O-OG1 3.06Å
553	Q	95.9	Very high	93.3	Very high	72 Å²	72	54 Å²	54	34%	0.336	30%	0.295	S	S	.	.	H	α-helix	trans	-62.7	-42.5	173.9	-71.5	174.5	65.7	0	0	111.8	I541 D549 V550 T556 A557	I541-Q553 HydrophobicContact CD1-CB 4.17Å; I541-Q553 HydrophobicContact CG2-CB 3.73Å; D549-Q553 WeakPolarHBondContact O-CG 3.38Å; D549-Q553 PolarHBondContact O-N 2.91Å; D549-Q553 VanDerWaalsContact O-N 3.14Å; D549-Q553 PolarHBondContact O-NE2 2.98Å; V550-Q553 PolarHBondContact O-N 3.08Å; Q553-T556 WeakPolarHBondContact O-CB 3.46Å; Q553-T556 PolarHBondContact O-N 3.18Å; Q553-A557 PolarHBondContact O-N 2.97Å
554	L	95.8	Very high	93.2	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-61.3	-44.5	174.9	-71.9	167.8	0	0	0	112.1	M381 Q392 L396 I484 I541 V550 F551 T556 A557 I558	M381-L554 HydrophobicContact CE-CD2 4.03Å; Q392-L554 HydrophobicContact CB-CD1 3.51Å; Q392-L554 HydrophobicContact CG-CD1 3.61Å; L396-L554 HydrophobicContact CD1-CD1 4.43Å; L396-L554 HydrophobicContact CD2-CB 4.41Å; I484-L554 HydrophobicContact CD1-CD2 4.01Å; I484-L554 HydrophobicContact CG2-CD2 3.34Å; I541-L554 HydrophobicContact CB-CD2 4.45Å; I541-L554 HydrophobicContact CG1-CD2 3.93Å; I541-L554 HydrophobicContact CG2-CD2 4.44Å; I541-L554 HydrophobicContact CG2-CG 4.32Å; V550-L554 HydrophobicContact CG1-CD1 4.06Å; V550-L554 VanDerWaalsContact O-CG 3.28Å; V550-L554 WeakPolarHBondContact O-CG 3.32Å; V550-L554 PolarHBondContact O-N 3.41Å; F551-L554 WeakPolarHBondContact O-CB 3.35Å; F551-L554 PolarHBondContact O-N 3.14Å; L554-T556 VanDerWaalsContact C-N 3.3Å; L554-T556 PolarHBondContact O-N 3.11Å; L554-A557 PolarHBondContact O-N 2.91Å; L554-I558 WeakPolarHBondContact O-CG1 3.22Å; L554-I558 PolarHBondContact O-N 2.92Å
555	C	95.8	Very high	93.2	Very high	3 Å²	3	55.9 Å²	55.9	2%	0.02	31%	0.309	C	S	.	.	H	α-helix	trans	-58.3	-45.5	175.2	-68.9	0	0	0	0	111	K399 Y400 F551 L552 A557 I558 D559	K399-C555 VanDerWaalsContact NZ-CB 3.34Å; K399-C555 PolarHBondContact NZ-SG 2.63Å; Y400-C555 WeakPolarHBondContact OH-CA 3.5Å; Y400-C555 WeakPolarHBondContact OH-CB 3.47Å; Y400-C555 PolarHBondContact OH-O 3.37Å; F551-C555 PolarHBondContact O-N 3.35Å; F551-C555 PolarHBondContact O-SG 3.3Å; L552-C555 WeakPolarHBondContact O-CB 3.49Å; L552-C555 PolarHBondContact O-N 2.94Å; C555-A557 VanDerWaalsContact C-N 3.32Å; C555-A557 PolarHBondContact O-N 3.42Å; C555-I558 PolarHBondContact O-N 2.95Å; C555-D559 VanDerWaalsContact O-CB 3.29Å; C555-D559 WeakPolarHBondContact O-CB 3.25Å; C555-D559 PolarHBondContact O-N 3.26Å
556	T	95.3	Very high	93.3	Very high	91 Å²	91	57.1 Å²	57.1	56%	0.558	31%	0.305	S	S	*	.	H	α-helix	trans	-59.8	-42.4	178.9	-53.6	0	0	0	0	111.9	L552 Q553 L554 S560	L552-T556 PolarHBondContact O-N 3.49Å; L552-T556 PolarHBondContact O-OG1 3.06Å; Q553-T556 WeakPolarHBondContact O-CB 3.46Å; Q553-T556 PolarHBondContact O-N 3.18Å; L554-T556 VanDerWaalsContact C-N 3.3Å; L554-T556 PolarHBondContact O-N 3.11Å; T556-S560 PolarHBondContact O-N 3.27Å
557	A	94.4	Very high	93.3	Very high	6 Å²	6	56.7 Å²	56.7	5%	0.05	30%	0.3	C	S	.	.	H	α-helix	trans	-66.3	-42.2	176.9	0	0	0	0	0	112.3	H539 I541 Q553 L554 C555 S560	H539-A557 HydrophobicContact CB-CB 3.93Å; I541-A557 HydrophobicContact CD1-CB 4.27Å; Q553-A557 PolarHBondContact O-N 2.97Å; L554-A557 PolarHBondContact O-N 2.91Å; C555-A557 VanDerWaalsContact C-N 3.32Å; C555-A557 PolarHBondContact O-N 3.42Å; A557-S560 WeakPolarHBondContact O-CB 3.4Å; A557-S560 PolarHBondContact O-N 3.25Å; A557-S560 PolarHBondContact O-OG 3.5Å
558	I	94.1	Very high	93.4	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-70	-43.2	179.3	-68	168.3	0	0	0	110.7	I379 L396 Y400 F402 L482 I484 L554 C555 S560 I561 F562	I379-I558 HydrophobicContact CD1-CD1 4.48Å; I379-I558 HydrophobicContact CD1-CG1 4.18Å; I379-I558 HydrophobicContact CD1-CG2 4.31Å; L396-I558 HydrophobicContact CD1-CD1 3.73Å; L396-I558 HydrophobicContact CD2-CD1 3.38Å; L396-I558 HydrophobicContact CG-CD1 4.15Å; Y400-I558 HydrophobicContact CD1-CG2 4.19Å; Y400-I558 HydrophobicContact CD2-CG2 4.44Å; Y400-I558 HydrophobicContact CE1-CG2 3.92Å; Y400-I558 HydrophobicContact CE2-CD1 4.39Å; Y400-I558 HydrophobicContact CE2-CG2 4.19Å; Y400-I558 HydrophobicContact CG-CG2 4.45Å; F402-I558 HydrophobicContact CE2-CD1 4.43Å; F402-I558 HydrophobicContact CE2-CG2 4.06Å; F402-I558 HydrophobicContact CZ-CG2 4.09Å; L482-I558 HydrophobicContact CD2-CG1 4.11Å; I484-I558 HydrophobicContact CD1-CD1 4.07Å; I484-I558 HydrophobicContact CD1-CG1 3.84Å; L554-I558 WeakPolarHBondContact O-CG1 3.22Å; L554-I558 PolarHBondContact O-N 2.92Å; C555-I558 PolarHBondContact O-N 2.95Å; I558-S560 PolarHBondContact O-N 3.2Å; I558-I561 WeakPolarHBondContact O-CG1 3.43Å; I558-I561 PolarHBondContact O-N 2.63Å; I558-F562 HydrophobicContact CG2-CD2 4.03Å; I558-F562 HydrophobicContact CG2-CE2 3.81Å; I558-F562 WeakPolarHBondContact O-CD2 3.35Å
559	D	93.4	Very high	93.3	Very high	82 Å²	82	52.4 Å²	52.4	44%	0.439	28%	0.277	S	S	.	.	H	α-helix	trans	-62	-19.4	178.6	-65.4	-20.1	0	0	0	111.9	Y400 C555 I561	Y400-D559 WeakPolarHBondContact CE1-OD1 3.29Å; Y400-D559 VanDerWaalsContact CZ-OD1 3.27Å; Y400-D559 VanDerWaalsContact OH-CG 3.25Å; Y400-D559 PolarHBondContact OH-OD1 3.2Å; Y400-D559 PolarHBondContact OH-OD2 3.19Å; C555-D559 VanDerWaalsContact O-CB 3.29Å; C555-D559 WeakPolarHBondContact O-CB 3.25Å; C555-D559 PolarHBondContact O-N 3.26Å; D559-I561 VanDerWaalsContact C-N 3.29Å; D559-I561 PolarHBondContact O-N 3.2Å
560	S	89.6	Confident	93.2	Very high	62 Å²	62	49.8 Å²	49.8	43%	0.434	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-16.3	175.6	81	0	0	0	0	115	Q537 T556 A557 I558	Q537-S560 PolarHBondContact NE2-OG 3.25Å; T556-S560 PolarHBondContact O-N 3.27Å; A557-S560 WeakPolarHBondContact O-CB 3.4Å; A557-S560 PolarHBondContact O-N 3.25Å; A557-S560 PolarHBondContact O-OG 3.5Å; I558-S560 PolarHBondContact O-N 3.2Å
561	I	85.9	Confident	92.9	Very high	20 Å²	20	53.7 Å²	53.7	10%	0.103	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	5.9	-179.8	60.4	155.7	0	0	0	113.6	K377 I379 H481 L482 I558 D559	K377-I561 PolarHBondContact NZ-O 3.48Å; I379-I561 HydrophobicContact CD1-CD1 4.02Å; I379-I561 HydrophobicContact CG1-CD1 4.17Å; H481-I561 HydrophobicContact CB-CD1 4.45Å; L482-I561 HydrophobicContact CB-CD1 3.84Å; L482-I561 HydrophobicContact CB-CG2 4.32Å; L482-I561 HydrophobicContact CD2-CD1 4.07Å; L482-I561 HydrophobicContact CD2-CG1 4.34Å; I558-I561 WeakPolarHBondContact O-CG1 3.43Å; I558-I561 PolarHBondContact O-N 2.63Å; D559-I561 VanDerWaalsContact C-N 3.29Å; D559-I561 PolarHBondContact O-N 3.2Å
562	F	81.4	Confident	92.5	Very high	153 Å²	153	54.8 Å²	54.8	67%	0.671	29%	0.292	S	S	*	.			trans	-111.4	0	179.8	-83.1	-83.4	0	0	0	113.2	K377 F402 I558	K377-F562 HydrophobicContact CB-CZ 4.19Å; K377-F562 HydrophobicContact CG-CE1 3.98Å; K377-F562 HydrophobicContact CG-CE2 4.37Å; K377-F562 HydrophobicContact CG-CZ 3.68Å; F402-F562 HydrophobicContact CE1-CE2 4.32Å; F402-F562 AromaticContact CE1-CZ 3.82Å; F402-F562 HydrophobicContact CE1-CZ 3.82Å; F402-F562 AromaticContact CZ-CE2 3.77Å; F402-F562 HydrophobicContact CZ-CE2 3.77Å; F402-F562 AromaticContact CZ-CZ 3.75Å; F402-F562 HydrophobicContact CZ-CZ 3.75Å; I558-F562 HydrophobicContact CG2-CD2 4.03Å; I558-F562 HydrophobicContact CG2-CE2 3.81Å; I558-F562 WeakPolarHBondContact O-CD2 3.35Å

Retrieved 562 of 562 residues in 227.8 ms (Link to these results)

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